USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=10 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 404 SER OG : rot 180:sc=-0.00795 USER MOD Set 1.2: A 406 SER OG : rot 180:sc= -0.0182 USER MOD Single : A 397 MET CE :methyl -149:sc= -3.5 (180deg=-4.27!) USER MOD Single : A 405 TYR OH : rot 180:sc= 0 USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 410 GLN : amide:sc=-0.00997 X(o=-0.01,f=0) USER MOD Single : A 417 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 418 MET CE :methyl -112:sc= -3.08 (180deg=-6.17!) USER MOD Single : A 419 THR OG1 : rot 180:sc= -1.8 USER MOD Single : A 423 LYS NZ :NH3+ -163:sc= -0.185 (180deg=-0.565) USER MOD Single : A 426 TYR OH : rot 180:sc= 0 USER MOD Single : A 429 MET CE :methyl -145:sc= -1.03 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 211 N ILE A 395 4.683 -4.885 -2.734 1.00 0.00 N ATOM 212 CA ILE A 395 6.053 -4.741 -2.258 1.00 0.00 C ATOM 213 C ILE A 395 6.537 -3.302 -2.410 1.00 0.00 C ATOM 214 O ILE A 395 6.342 -2.676 -3.451 1.00 0.00 O ATOM 215 CB ILE A 395 7.015 -5.678 -3.014 1.00 0.00 C ATOM 216 CG1 ILE A 395 6.517 -7.122 -2.941 1.00 0.00 C ATOM 217 CG2 ILE A 395 8.428 -5.569 -2.448 1.00 0.00 C ATOM 218 CD1 ILE A 395 6.524 -7.692 -1.539 1.00 0.00 C ATOM 0 HA ILE A 395 6.051 -5.013 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 395 7.043 -5.373 -4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 395 5.503 -7.169 -3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 395 7.140 -7.746 -3.582 1.00 0.00 H new ATOM 0 HG21 ILE A 395 9.092 -6.238 -2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 395 8.783 -4.543 -2.550 1.00 0.00 H new ATOM 0 HG23 ILE A 395 8.420 -5.847 -1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 395 6.159 -8.719 -1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 395 7.540 -7.677 -1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 395 5.878 -7.091 -0.899 1.00 0.00 H new ATOM 230 N VAL A 396 7.174 -2.791 -1.363 1.00 0.00 N ATOM 231 CA VAL A 396 7.696 -1.431 -1.371 1.00 0.00 C ATOM 232 C VAL A 396 9.220 -1.441 -1.310 1.00 0.00 C ATOM 233 O VAL A 396 9.816 -2.237 -0.585 1.00 0.00 O ATOM 234 CB VAL A 396 7.142 -0.611 -0.187 1.00 0.00 C ATOM 235 CG1 VAL A 396 7.575 -1.217 1.139 1.00 0.00 C ATOM 236 CG2 VAL A 396 7.582 0.842 -0.286 1.00 0.00 C ATOM 0 H VAL A 396 7.342 -3.300 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 396 7.373 -0.963 -2.301 1.00 0.00 H new ATOM 0 HB VAL A 396 6.053 -0.640 -0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.173 -0.622 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 396 7.199 -2.238 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.663 -1.226 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 396 7.180 1.402 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 396 8.671 0.894 -0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 396 7.211 1.272 -1.216 1.00 0.00 H new ATOM 246 N MET A 397 9.848 -0.555 -2.073 1.00 0.00 N ATOM 247 CA MET A 397 11.302 -0.473 -2.097 1.00 0.00 C ATOM 248 C MET A 397 11.815 0.387 -0.948 1.00 0.00 C ATOM 249 O MET A 397 11.576 1.595 -0.908 1.00 0.00 O ATOM 250 CB MET A 397 11.780 0.100 -3.433 1.00 0.00 C ATOM 251 CG MET A 397 11.694 -0.889 -4.585 1.00 0.00 C ATOM 252 SD MET A 397 13.115 -1.997 -4.654 1.00 0.00 S ATOM 253 CE MET A 397 12.447 -3.456 -3.861 1.00 0.00 C ATOM 0 H MET A 397 9.375 0.114 -2.681 1.00 0.00 H new ATOM 0 HA MET A 397 11.701 -1.481 -1.980 1.00 0.00 H new ATOM 0 HB2 MET A 397 11.184 0.980 -3.675 1.00 0.00 H new ATOM 0 HB3 MET A 397 12.812 0.433 -3.327 1.00 0.00 H new ATOM 0 HG2 MET A 397 10.783 -1.479 -4.486 1.00 0.00 H new ATOM 0 HG3 MET A 397 11.619 -0.341 -5.524 1.00 0.00 H new ATOM 0 HE1 MET A 397 13.245 -3.984 -3.340 1.00 0.00 H new ATOM 0 HE2 MET A 397 11.679 -3.162 -3.146 1.00 0.00 H new ATOM 0 HE3 MET A 397 12.010 -4.111 -4.614 1.00 0.00 H new ATOM 263 N VAL A 398 12.526 -0.240 -0.017 1.00 0.00 N ATOM 264 CA VAL A 398 13.076 0.469 1.131 1.00 0.00 C ATOM 265 C VAL A 398 14.599 0.516 1.061 1.00 0.00 C ATOM 266 O VAL A 398 15.267 -0.512 1.179 1.00 0.00 O ATOM 267 CB VAL A 398 12.658 -0.189 2.458 1.00 0.00 C ATOM 268 CG1 VAL A 398 13.087 0.672 3.638 1.00 0.00 C ATOM 269 CG2 VAL A 398 11.157 -0.433 2.483 1.00 0.00 C ATOM 0 H VAL A 398 12.735 -1.238 -0.036 1.00 0.00 H new ATOM 0 HA VAL A 398 12.675 1.482 1.098 1.00 0.00 H new ATOM 0 HB VAL A 398 13.160 -1.153 2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 398 12.783 0.192 4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 398 14.171 0.790 3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 398 12.615 1.652 3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 398 10.880 -0.899 3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 398 10.632 0.517 2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 398 10.882 -1.092 1.660 1.00 0.00 H new ATOM 279 N ALA A 399 15.141 1.713 0.867 1.00 0.00 N ATOM 280 CA ALA A 399 16.586 1.891 0.779 1.00 0.00 C ATOM 281 C ALA A 399 17.187 1.016 -0.319 1.00 0.00 C ATOM 282 O ALA A 399 18.375 0.697 -0.288 1.00 0.00 O ATOM 283 CB ALA A 399 17.237 1.581 2.118 1.00 0.00 C ATOM 0 H ALA A 399 14.603 2.574 0.768 1.00 0.00 H new ATOM 0 HA ALA A 399 16.782 2.932 0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 399 18.315 1.718 2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 399 16.841 2.253 2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 399 17.022 0.550 2.397 1.00 0.00 H new ATOM 289 N GLY A 400 16.359 0.631 -1.286 1.00 0.00 N ATOM 290 CA GLY A 400 16.832 -0.201 -2.378 1.00 0.00 C ATOM 291 C GLY A 400 16.462 -1.664 -2.207 1.00 0.00 C ATOM 292 O GLY A 400 16.527 -2.439 -3.161 1.00 0.00 O ATOM 0 H GLY A 400 15.371 0.880 -1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 400 16.416 0.167 -3.316 1.00 0.00 H new ATOM 0 HA3 GLY A 400 17.916 -0.112 -2.454 1.00 0.00 H new ATOM 296 N ARG A 401 16.076 -2.045 -0.993 1.00 0.00 N ATOM 297 CA ARG A 401 15.700 -3.426 -0.711 1.00 0.00 C ATOM 298 C ARG A 401 14.181 -3.587 -0.686 1.00 0.00 C ATOM 299 O ARG A 401 13.457 -2.664 -0.310 1.00 0.00 O ATOM 300 CB ARG A 401 16.294 -3.876 0.624 1.00 0.00 C ATOM 301 CG ARG A 401 17.720 -4.393 0.512 1.00 0.00 C ATOM 302 CD ARG A 401 17.754 -5.908 0.385 1.00 0.00 C ATOM 303 NE ARG A 401 19.118 -6.415 0.250 1.00 0.00 N ATOM 304 CZ ARG A 401 19.464 -7.681 0.475 1.00 0.00 C ATOM 305 NH1 ARG A 401 18.551 -8.570 0.845 1.00 0.00 N ATOM 306 NH2 ARG A 401 20.727 -8.057 0.328 1.00 0.00 N ATOM 0 H ARG A 401 16.015 -1.418 -0.191 1.00 0.00 H new ATOM 0 HA ARG A 401 16.099 -4.053 -1.509 1.00 0.00 H new ATOM 0 HB2 ARG A 401 16.274 -3.039 1.322 1.00 0.00 H new ATOM 0 HB3 ARG A 401 15.665 -4.659 1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 401 18.204 -3.943 -0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 401 18.289 -4.087 1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 401 17.286 -6.356 1.261 1.00 0.00 H new ATOM 0 HD3 ARG A 401 17.166 -6.213 -0.481 1.00 0.00 H new ATOM 0 HE ARG A 401 19.848 -5.761 -0.033 1.00 0.00 H new ATOM 0 HH11 ARG A 401 17.578 -8.285 0.958 1.00 0.00 H new ATOM 0 HH12 ARG A 401 18.822 -9.538 1.016 1.00 0.00 H new ATOM 0 HH21 ARG A 401 21.432 -7.377 0.043 1.00 0.00 H new ATOM 0 HH22 ARG A 401 20.994 -9.026 0.500 1.00 0.00 H new ATOM 320 N PRO A 402 13.676 -4.768 -1.088 1.00 0.00 N ATOM 321 CA PRO A 402 12.236 -5.046 -1.111 1.00 0.00 C ATOM 322 C PRO A 402 11.665 -5.280 0.284 1.00 0.00 C ATOM 323 O PRO A 402 12.255 -5.990 1.098 1.00 0.00 O ATOM 324 CB PRO A 402 12.144 -6.323 -1.946 1.00 0.00 C ATOM 325 CG PRO A 402 13.446 -7.011 -1.725 1.00 0.00 C ATOM 326 CD PRO A 402 14.471 -5.922 -1.554 1.00 0.00 C ATOM 0 HA PRO A 402 11.664 -4.210 -1.513 1.00 0.00 H new ATOM 0 HB2 PRO A 402 11.308 -6.945 -1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 402 11.989 -6.097 -3.001 1.00 0.00 H new ATOM 0 HG2 PRO A 402 13.405 -7.649 -0.842 1.00 0.00 H new ATOM 0 HG3 PRO A 402 13.696 -7.652 -2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 402 15.236 -6.201 -0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 402 14.984 -5.704 -2.491 1.00 0.00 H new ATOM 334 N PHE A 403 10.510 -4.680 0.548 1.00 0.00 N ATOM 335 CA PHE A 403 9.848 -4.821 1.840 1.00 0.00 C ATOM 336 C PHE A 403 8.335 -4.732 1.682 1.00 0.00 C ATOM 337 O PHE A 403 7.838 -4.151 0.719 1.00 0.00 O ATOM 338 CB PHE A 403 10.334 -3.741 2.807 1.00 0.00 C ATOM 339 CG PHE A 403 11.693 -4.017 3.383 1.00 0.00 C ATOM 340 CD1 PHE A 403 12.837 -3.615 2.715 1.00 0.00 C ATOM 341 CD2 PHE A 403 11.826 -4.680 4.593 1.00 0.00 C ATOM 342 CE1 PHE A 403 14.090 -3.867 3.243 1.00 0.00 C ATOM 343 CE2 PHE A 403 13.075 -4.935 5.126 1.00 0.00 C ATOM 344 CZ PHE A 403 14.208 -4.528 4.449 1.00 0.00 C ATOM 0 H PHE A 403 10.011 -4.090 -0.118 1.00 0.00 H new ATOM 0 HA PHE A 403 10.100 -5.801 2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 403 10.357 -2.783 2.287 1.00 0.00 H new ATOM 0 HB3 PHE A 403 9.616 -3.645 3.622 1.00 0.00 H new ATOM 0 HD1 PHE A 403 12.750 -3.099 1.770 1.00 0.00 H new ATOM 0 HD2 PHE A 403 10.943 -5.001 5.125 1.00 0.00 H new ATOM 0 HE1 PHE A 403 14.975 -3.547 2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 403 13.165 -5.452 6.070 1.00 0.00 H new ATOM 0 HZ PHE A 403 15.186 -4.727 4.863 1.00 0.00 H new ATOM 354 N SER A 404 7.607 -5.306 2.631 1.00 0.00 N ATOM 355 CA SER A 404 6.150 -5.281 2.588 1.00 0.00 C ATOM 356 C SER A 404 5.624 -3.940 3.087 1.00 0.00 C ATOM 357 O SER A 404 6.118 -3.397 4.076 1.00 0.00 O ATOM 358 CB SER A 404 5.571 -6.420 3.430 1.00 0.00 C ATOM 359 OG SER A 404 6.165 -6.459 4.715 1.00 0.00 O ATOM 0 H SER A 404 7.999 -5.793 3.437 1.00 0.00 H new ATOM 0 HA SER A 404 5.835 -5.416 1.553 1.00 0.00 H new ATOM 0 HB2 SER A 404 4.493 -6.292 3.528 1.00 0.00 H new ATOM 0 HB3 SER A 404 5.734 -7.371 2.922 1.00 0.00 H new ATOM 0 HG SER A 404 5.776 -7.194 5.233 1.00 0.00 H new ATOM 365 N TYR A 405 4.623 -3.407 2.395 1.00 0.00 N ATOM 366 CA TYR A 405 4.033 -2.125 2.765 1.00 0.00 C ATOM 367 C TYR A 405 3.556 -2.137 4.214 1.00 0.00 C ATOM 368 O TYR A 405 3.627 -1.124 4.909 1.00 0.00 O ATOM 369 CB TYR A 405 2.867 -1.789 1.834 1.00 0.00 C ATOM 370 CG TYR A 405 2.349 -0.378 1.997 1.00 0.00 C ATOM 371 CD1 TYR A 405 3.014 0.696 1.420 1.00 0.00 C ATOM 372 CD2 TYR A 405 1.197 -0.120 2.729 1.00 0.00 C ATOM 373 CE1 TYR A 405 2.544 1.988 1.565 1.00 0.00 C ATOM 374 CE2 TYR A 405 0.721 1.169 2.879 1.00 0.00 C ATOM 375 CZ TYR A 405 1.399 2.218 2.296 1.00 0.00 C ATOM 376 OH TYR A 405 0.928 3.503 2.444 1.00 0.00 O ATOM 0 H TYR A 405 4.203 -3.843 1.574 1.00 0.00 H new ATOM 0 HA TYR A 405 4.803 -1.360 2.665 1.00 0.00 H new ATOM 0 HB2 TYR A 405 3.184 -1.933 0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 405 2.053 -2.490 2.018 1.00 0.00 H new ATOM 0 HD1 TYR A 405 3.913 0.519 0.849 1.00 0.00 H new ATOM 0 HD2 TYR A 405 0.665 -0.940 3.188 1.00 0.00 H new ATOM 0 HE1 TYR A 405 3.071 2.812 1.108 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -0.177 1.353 3.450 1.00 0.00 H new ATOM 0 HH TYR A 405 0.112 3.492 2.986 1.00 0.00 H new ATOM 386 N SER A 406 3.068 -3.288 4.662 1.00 0.00 N ATOM 387 CA SER A 406 2.578 -3.431 6.028 1.00 0.00 C ATOM 388 C SER A 406 3.705 -3.239 7.039 1.00 0.00 C ATOM 389 O SER A 406 3.517 -2.609 8.079 1.00 0.00 O ATOM 390 CB SER A 406 1.937 -4.806 6.220 1.00 0.00 C ATOM 391 OG SER A 406 2.906 -5.838 6.129 1.00 0.00 O ATOM 0 H SER A 406 3.001 -4.136 4.099 1.00 0.00 H new ATOM 0 HA SER A 406 1.828 -2.658 6.198 1.00 0.00 H new ATOM 0 HB2 SER A 406 1.445 -4.849 7.192 1.00 0.00 H new ATOM 0 HB3 SER A 406 1.165 -4.960 5.466 1.00 0.00 H new ATOM 0 HG SER A 406 2.471 -6.707 6.257 1.00 0.00 H new ATOM 397 N GLU A 407 4.874 -3.787 6.727 1.00 0.00 N ATOM 398 CA GLU A 407 6.030 -3.678 7.612 1.00 0.00 C ATOM 399 C GLU A 407 6.529 -2.241 7.691 1.00 0.00 C ATOM 400 O GLU A 407 7.069 -1.815 8.712 1.00 0.00 O ATOM 401 CB GLU A 407 7.156 -4.597 7.138 1.00 0.00 C ATOM 402 CG GLU A 407 8.344 -4.644 8.086 1.00 0.00 C ATOM 403 CD GLU A 407 9.488 -5.485 7.551 1.00 0.00 C ATOM 404 OE1 GLU A 407 9.371 -5.996 6.417 1.00 0.00 O ATOM 405 OE2 GLU A 407 10.500 -5.632 8.267 1.00 0.00 O ATOM 0 H GLU A 407 5.047 -4.311 5.869 1.00 0.00 H new ATOM 0 HA GLU A 407 5.716 -3.987 8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 407 6.762 -5.606 7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 407 7.497 -4.264 6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 407 8.699 -3.629 8.268 1.00 0.00 H new ATOM 0 HG3 GLU A 407 8.021 -5.046 9.046 1.00 0.00 H new ATOM 412 N VAL A 408 6.344 -1.500 6.609 1.00 0.00 N ATOM 413 CA VAL A 408 6.776 -0.109 6.553 1.00 0.00 C ATOM 414 C VAL A 408 5.978 0.749 7.530 1.00 0.00 C ATOM 415 O VAL A 408 6.547 1.519 8.303 1.00 0.00 O ATOM 416 CB VAL A 408 6.628 0.474 5.133 1.00 0.00 C ATOM 417 CG1 VAL A 408 7.166 1.896 5.078 1.00 0.00 C ATOM 418 CG2 VAL A 408 7.330 -0.409 4.109 1.00 0.00 C ATOM 0 H VAL A 408 5.897 -1.838 5.756 1.00 0.00 H new ATOM 0 HA VAL A 408 7.830 -0.093 6.832 1.00 0.00 H new ATOM 0 HB VAL A 408 5.567 0.501 4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 408 7.052 2.289 4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 408 6.610 2.522 5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 408 8.221 1.897 5.351 1.00 0.00 H new ATOM 0 HG21 VAL A 408 7.212 0.022 3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 408 8.390 -0.476 4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 408 6.890 -1.406 4.126 1.00 0.00 H new ATOM 428 N SER A 409 4.657 0.611 7.490 1.00 0.00 N ATOM 429 CA SER A 409 3.782 1.372 8.372 1.00 0.00 C ATOM 430 C SER A 409 4.008 0.988 9.828 1.00 0.00 C ATOM 431 O SER A 409 3.841 1.806 10.733 1.00 0.00 O ATOM 432 CB SER A 409 2.317 1.150 7.993 1.00 0.00 C ATOM 433 OG SER A 409 1.461 1.995 8.742 1.00 0.00 O ATOM 0 H SER A 409 4.169 -0.021 6.856 1.00 0.00 H new ATOM 0 HA SER A 409 4.022 2.429 8.254 1.00 0.00 H new ATOM 0 HB2 SER A 409 2.181 1.341 6.929 1.00 0.00 H new ATOM 0 HB3 SER A 409 2.047 0.108 8.167 1.00 0.00 H new ATOM 0 HG SER A 409 0.531 1.834 8.479 1.00 0.00 H new ATOM 439 N GLN A 410 4.389 -0.263 10.043 1.00 0.00 N ATOM 440 CA GLN A 410 4.644 -0.767 11.388 1.00 0.00 C ATOM 441 C GLN A 410 5.998 -0.293 11.903 1.00 0.00 C ATOM 442 O GLN A 410 6.211 -0.182 13.110 1.00 0.00 O ATOM 443 CB GLN A 410 4.583 -2.296 11.404 1.00 0.00 C ATOM 444 CG GLN A 410 3.185 -2.851 11.186 1.00 0.00 C ATOM 445 CD GLN A 410 3.141 -4.365 11.263 1.00 0.00 C ATOM 446 OE1 GLN A 410 3.133 -4.942 12.350 1.00 0.00 O ATOM 447 NE2 GLN A 410 3.111 -5.016 10.107 1.00 0.00 N ATOM 0 H GLN A 410 4.529 -0.950 9.302 1.00 0.00 H new ATOM 0 HA GLN A 410 3.870 -0.373 12.047 1.00 0.00 H new ATOM 0 HB2 GLN A 410 5.244 -2.686 10.630 1.00 0.00 H new ATOM 0 HB3 GLN A 410 4.963 -2.657 12.360 1.00 0.00 H new ATOM 0 HG2 GLN A 410 2.511 -2.433 11.934 1.00 0.00 H new ATOM 0 HG3 GLN A 410 2.818 -2.529 10.211 1.00 0.00 H new ATOM 0 HE21 GLN A 410 3.119 -4.497 9.229 1.00 0.00 H new ATOM 0 HE22 GLN A 410 3.080 -6.035 10.096 1.00 0.00 H new ATOM 456 N ARG A 411 6.908 -0.015 10.979 1.00 0.00 N ATOM 457 CA ARG A 411 8.244 0.447 11.335 1.00 0.00 C ATOM 458 C ARG A 411 8.559 1.775 10.651 1.00 0.00 C ATOM 459 O ARG A 411 9.185 1.804 9.591 1.00 0.00 O ATOM 460 CB ARG A 411 9.288 -0.601 10.946 1.00 0.00 C ATOM 461 CG ARG A 411 9.310 -1.810 11.866 1.00 0.00 C ATOM 462 CD ARG A 411 10.713 -2.375 12.009 1.00 0.00 C ATOM 463 NE ARG A 411 11.443 -1.758 13.115 1.00 0.00 N ATOM 464 CZ ARG A 411 11.109 -1.902 14.395 1.00 0.00 C ATOM 465 NH1 ARG A 411 10.060 -2.640 14.737 1.00 0.00 N ATOM 466 NH2 ARG A 411 11.828 -1.308 15.338 1.00 0.00 N ATOM 0 H ARG A 411 6.746 -0.101 9.976 1.00 0.00 H new ATOM 0 HA ARG A 411 8.275 0.598 12.414 1.00 0.00 H new ATOM 0 HB2 ARG A 411 9.093 -0.934 9.927 1.00 0.00 H new ATOM 0 HB3 ARG A 411 10.274 -0.137 10.947 1.00 0.00 H new ATOM 0 HG2 ARG A 411 8.928 -1.529 12.847 1.00 0.00 H new ATOM 0 HG3 ARG A 411 8.645 -2.579 11.474 1.00 0.00 H new ATOM 0 HD2 ARG A 411 10.655 -3.452 12.169 1.00 0.00 H new ATOM 0 HD3 ARG A 411 11.263 -2.219 11.081 1.00 0.00 H new ATOM 0 HE ARG A 411 12.256 -1.183 12.893 1.00 0.00 H new ATOM 0 HH11 ARG A 411 9.504 -3.101 14.017 1.00 0.00 H new ATOM 0 HH12 ARG A 411 9.810 -2.746 15.720 1.00 0.00 H new ATOM 0 HH21 ARG A 411 12.636 -0.741 15.082 1.00 0.00 H new ATOM 0 HH22 ARG A 411 11.573 -1.418 16.319 1.00 0.00 H new ATOM 480 N PRO A 412 8.127 2.897 11.251 1.00 0.00 N ATOM 481 CA PRO A 412 8.364 4.233 10.695 1.00 0.00 C ATOM 482 C PRO A 412 9.834 4.471 10.361 1.00 0.00 C ATOM 483 O PRO A 412 10.160 5.295 9.506 1.00 0.00 O ATOM 484 CB PRO A 412 7.911 5.172 11.814 1.00 0.00 C ATOM 485 CG PRO A 412 6.914 4.382 12.589 1.00 0.00 C ATOM 486 CD PRO A 412 7.372 2.952 12.518 1.00 0.00 C ATOM 0 HA PRO A 412 7.832 4.382 9.756 1.00 0.00 H new ATOM 0 HB2 PRO A 412 8.750 5.475 12.441 1.00 0.00 H new ATOM 0 HB3 PRO A 412 7.468 6.083 11.412 1.00 0.00 H new ATOM 0 HG2 PRO A 412 6.863 4.724 13.623 1.00 0.00 H new ATOM 0 HG3 PRO A 412 5.915 4.493 12.167 1.00 0.00 H new ATOM 0 HD2 PRO A 412 7.998 2.688 13.370 1.00 0.00 H new ATOM 0 HD3 PRO A 412 6.530 2.260 12.514 1.00 0.00 H new ATOM 494 N GLU A 413 10.717 3.747 11.040 1.00 0.00 N ATOM 495 CA GLU A 413 12.151 3.884 10.813 1.00 0.00 C ATOM 496 C GLU A 413 12.515 3.513 9.381 1.00 0.00 C ATOM 497 O GLU A 413 13.475 4.037 8.816 1.00 0.00 O ATOM 498 CB GLU A 413 12.932 3.007 11.794 1.00 0.00 C ATOM 499 CG GLU A 413 12.696 3.365 13.251 1.00 0.00 C ATOM 500 CD GLU A 413 13.120 4.784 13.580 1.00 0.00 C ATOM 501 OE1 GLU A 413 13.888 5.373 12.790 1.00 0.00 O ATOM 502 OE2 GLU A 413 12.684 5.306 14.627 1.00 0.00 O ATOM 0 H GLU A 413 10.466 3.060 11.751 1.00 0.00 H new ATOM 0 HA GLU A 413 12.419 4.928 10.977 1.00 0.00 H new ATOM 0 HB2 GLU A 413 12.656 1.965 11.635 1.00 0.00 H new ATOM 0 HB3 GLU A 413 13.997 3.092 11.576 1.00 0.00 H new ATOM 0 HG2 GLU A 413 11.638 3.243 13.484 1.00 0.00 H new ATOM 0 HG3 GLU A 413 13.245 2.669 13.886 1.00 0.00 H new ATOM 509 N LEU A 414 11.739 2.608 8.802 1.00 0.00 N ATOM 510 CA LEU A 414 11.974 2.164 7.434 1.00 0.00 C ATOM 511 C LEU A 414 11.694 3.291 6.445 1.00 0.00 C ATOM 512 O LEU A 414 12.399 3.446 5.450 1.00 0.00 O ATOM 513 CB LEU A 414 11.096 0.953 7.109 1.00 0.00 C ATOM 514 CG LEU A 414 11.171 -0.193 8.120 1.00 0.00 C ATOM 515 CD1 LEU A 414 10.377 -1.391 7.626 1.00 0.00 C ATOM 516 CD2 LEU A 414 12.619 -0.581 8.381 1.00 0.00 C ATOM 0 H LEU A 414 10.941 2.166 9.258 1.00 0.00 H new ATOM 0 HA LEU A 414 13.022 1.876 7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 414 10.060 1.284 7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 414 11.380 0.571 6.128 1.00 0.00 H new ATOM 0 HG LEU A 414 10.733 0.146 9.059 1.00 0.00 H new ATOM 0 HD11 LEU A 414 10.441 -2.197 8.357 1.00 0.00 H new ATOM 0 HD12 LEU A 414 9.334 -1.106 7.491 1.00 0.00 H new ATOM 0 HD13 LEU A 414 10.786 -1.731 6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 414 12.653 -1.397 9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 414 13.084 -0.901 7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 414 13.160 0.278 8.779 1.00 0.00 H new ATOM 528 N VAL A 415 10.662 4.078 6.732 1.00 0.00 N ATOM 529 CA VAL A 415 10.294 5.193 5.872 1.00 0.00 C ATOM 530 C VAL A 415 11.400 6.242 5.844 1.00 0.00 C ATOM 531 O VAL A 415 11.651 6.868 4.814 1.00 0.00 O ATOM 532 CB VAL A 415 8.981 5.854 6.335 1.00 0.00 C ATOM 533 CG1 VAL A 415 8.545 6.930 5.354 1.00 0.00 C ATOM 534 CG2 VAL A 415 7.891 4.806 6.509 1.00 0.00 C ATOM 0 H VAL A 415 10.067 3.963 7.553 1.00 0.00 H new ATOM 0 HA VAL A 415 10.149 4.790 4.870 1.00 0.00 H new ATOM 0 HB VAL A 415 9.156 6.329 7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 415 7.616 7.383 5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 415 9.319 7.695 5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 415 8.387 6.485 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 415 6.970 5.289 6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 415 7.717 4.300 5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 415 8.203 4.077 7.256 1.00 0.00 H new ATOM 544 N ALA A 416 12.063 6.425 6.983 1.00 0.00 N ATOM 545 CA ALA A 416 13.147 7.393 7.086 1.00 0.00 C ATOM 546 C ALA A 416 14.326 6.982 6.215 1.00 0.00 C ATOM 547 O ALA A 416 15.068 7.827 5.713 1.00 0.00 O ATOM 548 CB ALA A 416 13.583 7.547 8.535 1.00 0.00 C ATOM 0 H ALA A 416 11.868 5.916 7.845 1.00 0.00 H new ATOM 0 HA ALA A 416 12.781 8.355 6.728 1.00 0.00 H new ATOM 0 HB1 ALA A 416 14.393 8.273 8.596 1.00 0.00 H new ATOM 0 HB2 ALA A 416 12.740 7.893 9.134 1.00 0.00 H new ATOM 0 HB3 ALA A 416 13.928 6.586 8.915 1.00 0.00 H new ATOM 554 N GLN A 417 14.486 5.679 6.037 1.00 0.00 N ATOM 555 CA GLN A 417 15.570 5.142 5.222 1.00 0.00 C ATOM 556 C GLN A 417 15.226 5.220 3.737 1.00 0.00 C ATOM 557 O GLN A 417 16.109 5.158 2.882 1.00 0.00 O ATOM 558 CB GLN A 417 15.862 3.693 5.615 1.00 0.00 C ATOM 559 CG GLN A 417 16.335 3.535 7.051 1.00 0.00 C ATOM 560 CD GLN A 417 16.716 2.106 7.386 1.00 0.00 C ATOM 561 OE1 GLN A 417 17.798 1.641 7.030 1.00 0.00 O ATOM 562 NE2 GLN A 417 15.825 1.402 8.075 1.00 0.00 N ATOM 0 H GLN A 417 13.878 4.970 6.447 1.00 0.00 H new ATOM 0 HA GLN A 417 16.459 5.746 5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 417 14.960 3.098 5.471 1.00 0.00 H new ATOM 0 HB3 GLN A 417 16.621 3.290 4.945 1.00 0.00 H new ATOM 0 HG2 GLN A 417 17.193 4.185 7.220 1.00 0.00 H new ATOM 0 HG3 GLN A 417 15.547 3.865 7.728 1.00 0.00 H new ATOM 0 HE21 GLN A 417 14.940 1.828 8.349 1.00 0.00 H new ATOM 0 HE22 GLN A 417 16.026 0.435 8.330 1.00 0.00 H new ATOM 571 N MET A 418 13.938 5.355 3.438 1.00 0.00 N ATOM 572 CA MET A 418 13.476 5.440 2.058 1.00 0.00 C ATOM 573 C MET A 418 13.883 6.767 1.425 1.00 0.00 C ATOM 574 O MET A 418 13.570 7.836 1.947 1.00 0.00 O ATOM 575 CB MET A 418 11.955 5.289 2.000 1.00 0.00 C ATOM 576 CG MET A 418 11.492 3.851 1.847 1.00 0.00 C ATOM 577 SD MET A 418 9.846 3.726 1.121 1.00 0.00 S ATOM 578 CE MET A 418 9.016 2.710 2.339 1.00 0.00 C ATOM 0 H MET A 418 13.195 5.408 4.135 1.00 0.00 H new ATOM 0 HA MET A 418 13.943 4.630 1.497 1.00 0.00 H new ATOM 0 HB2 MET A 418 11.522 5.707 2.909 1.00 0.00 H new ATOM 0 HB3 MET A 418 11.572 5.876 1.165 1.00 0.00 H new ATOM 0 HG2 MET A 418 12.202 3.309 1.223 1.00 0.00 H new ATOM 0 HG3 MET A 418 11.492 3.367 2.824 1.00 0.00 H new ATOM 0 HE1 MET A 418 8.791 1.735 1.907 1.00 0.00 H new ATOM 0 HE2 MET A 418 9.662 2.582 3.207 1.00 0.00 H new ATOM 0 HE3 MET A 418 8.088 3.194 2.645 1.00 0.00 H new ATOM 588 N THR A 419 14.575 6.692 0.292 1.00 0.00 N ATOM 589 CA THR A 419 15.012 7.892 -0.413 1.00 0.00 C ATOM 590 C THR A 419 13.807 8.728 -0.835 1.00 0.00 C ATOM 591 O THR A 419 12.681 8.235 -0.851 1.00 0.00 O ATOM 592 CB THR A 419 15.847 7.516 -1.640 1.00 0.00 C ATOM 593 OG1 THR A 419 15.211 6.493 -2.387 1.00 0.00 O ATOM 594 CG2 THR A 419 17.240 7.036 -1.293 1.00 0.00 C ATOM 0 H THR A 419 14.844 5.816 -0.156 1.00 0.00 H new ATOM 0 HA THR A 419 15.630 8.483 0.263 1.00 0.00 H new ATOM 0 HB THR A 419 15.932 8.433 -2.222 1.00 0.00 H new ATOM 0 HG1 THR A 419 15.760 6.269 -3.167 1.00 0.00 H new ATOM 0 HG21 THR A 419 17.777 6.786 -2.208 1.00 0.00 H new ATOM 0 HG22 THR A 419 17.774 7.824 -0.762 1.00 0.00 H new ATOM 0 HG23 THR A 419 17.173 6.152 -0.659 1.00 0.00 H new ATOM 602 N PRO A 420 14.022 10.010 -1.180 1.00 0.00 N ATOM 603 CA PRO A 420 12.936 10.904 -1.595 1.00 0.00 C ATOM 604 C PRO A 420 12.027 10.267 -2.639 1.00 0.00 C ATOM 605 O PRO A 420 10.817 10.164 -2.438 1.00 0.00 O ATOM 606 CB PRO A 420 13.675 12.106 -2.181 1.00 0.00 C ATOM 607 CG PRO A 420 14.980 12.129 -1.462 1.00 0.00 C ATOM 608 CD PRO A 420 15.332 10.690 -1.188 1.00 0.00 C ATOM 0 HA PRO A 420 12.274 11.158 -0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 420 13.816 11.999 -3.257 1.00 0.00 H new ATOM 0 HB3 PRO A 420 13.118 13.030 -2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 420 15.749 12.610 -2.066 1.00 0.00 H new ATOM 0 HG3 PRO A 420 14.903 12.695 -0.534 1.00 0.00 H new ATOM 0 HD2 PRO A 420 15.990 10.284 -1.957 1.00 0.00 H new ATOM 0 HD3 PRO A 420 15.848 10.578 -0.235 1.00 0.00 H new ATOM 616 N GLU A 421 12.613 9.828 -3.748 1.00 0.00 N ATOM 617 CA GLU A 421 11.841 9.189 -4.806 1.00 0.00 C ATOM 618 C GLU A 421 11.140 7.951 -4.264 1.00 0.00 C ATOM 619 O GLU A 421 9.982 7.686 -4.586 1.00 0.00 O ATOM 620 CB GLU A 421 12.748 8.810 -5.978 1.00 0.00 C ATOM 621 CG GLU A 421 13.383 10.006 -6.669 1.00 0.00 C ATOM 622 CD GLU A 421 14.208 9.612 -7.878 1.00 0.00 C ATOM 623 OE1 GLU A 421 15.332 9.101 -7.688 1.00 0.00 O ATOM 624 OE2 GLU A 421 13.730 9.814 -9.014 1.00 0.00 O ATOM 0 H GLU A 421 13.613 9.902 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 421 11.091 9.894 -5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 421 13.536 8.149 -5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 421 12.168 8.246 -6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 421 12.601 10.699 -6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 421 14.017 10.537 -5.959 1.00 0.00 H new ATOM 631 N GLU A 422 11.847 7.208 -3.419 1.00 0.00 N ATOM 632 CA GLU A 422 11.292 6.009 -2.811 1.00 0.00 C ATOM 633 C GLU A 422 10.132 6.374 -1.893 1.00 0.00 C ATOM 634 O GLU A 422 9.160 5.629 -1.777 1.00 0.00 O ATOM 635 CB GLU A 422 12.369 5.257 -2.028 1.00 0.00 C ATOM 636 CG GLU A 422 13.341 4.493 -2.913 1.00 0.00 C ATOM 637 CD GLU A 422 12.653 3.448 -3.770 1.00 0.00 C ATOM 638 OE1 GLU A 422 11.464 3.162 -3.517 1.00 0.00 O ATOM 639 OE2 GLU A 422 13.304 2.915 -4.692 1.00 0.00 O ATOM 0 H GLU A 422 12.806 7.417 -3.141 1.00 0.00 H new ATOM 0 HA GLU A 422 10.923 5.358 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 422 12.927 5.968 -1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 422 11.888 4.559 -1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 422 13.869 5.196 -3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 422 14.091 4.008 -2.288 1.00 0.00 H new ATOM 646 N LYS A 423 10.238 7.535 -1.251 1.00 0.00 N ATOM 647 CA LYS A 423 9.191 8.004 -0.355 1.00 0.00 C ATOM 648 C LYS A 423 7.903 8.242 -1.132 1.00 0.00 C ATOM 649 O LYS A 423 6.808 7.958 -0.648 1.00 0.00 O ATOM 650 CB LYS A 423 9.626 9.291 0.348 1.00 0.00 C ATOM 651 CG LYS A 423 8.588 9.838 1.314 1.00 0.00 C ATOM 652 CD LYS A 423 8.519 9.010 2.586 1.00 0.00 C ATOM 653 CE LYS A 423 7.543 9.605 3.587 1.00 0.00 C ATOM 654 NZ LYS A 423 7.715 11.079 3.723 1.00 0.00 N ATOM 0 H LYS A 423 11.036 8.164 -1.336 1.00 0.00 H new ATOM 0 HA LYS A 423 9.012 7.238 0.400 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.552 9.103 0.891 1.00 0.00 H new ATOM 0 HB3 LYS A 423 9.846 10.049 -0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 423 8.831 10.871 1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 423 7.610 9.848 0.832 1.00 0.00 H new ATOM 0 HD2 LYS A 423 8.216 7.992 2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 423 9.510 8.949 3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 423 6.522 9.386 3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 423 7.686 9.132 4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 7.253 11.403 4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 8.729 11.308 3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 7.284 11.556 2.905 1.00 0.00 H new ATOM 668 N GLU A 424 8.047 8.759 -2.349 1.00 0.00 N ATOM 669 CA GLU A 424 6.902 9.030 -3.206 1.00 0.00 C ATOM 670 C GLU A 424 6.199 7.733 -3.586 1.00 0.00 C ATOM 671 O GLU A 424 4.975 7.635 -3.509 1.00 0.00 O ATOM 672 CB GLU A 424 7.347 9.779 -4.464 1.00 0.00 C ATOM 673 CG GLU A 424 7.461 11.282 -4.268 1.00 0.00 C ATOM 674 CD GLU A 424 7.860 12.009 -5.538 1.00 0.00 C ATOM 675 OE1 GLU A 424 8.263 11.333 -6.508 1.00 0.00 O ATOM 676 OE2 GLU A 424 7.770 13.255 -5.562 1.00 0.00 O ATOM 0 H GLU A 424 8.948 8.998 -2.763 1.00 0.00 H new ATOM 0 HA GLU A 424 6.199 9.655 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 424 8.312 9.389 -4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 424 6.637 9.578 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 424 6.506 11.672 -3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 424 8.196 11.488 -3.490 1.00 0.00 H new ATOM 683 N ALA A 425 6.980 6.732 -3.986 1.00 0.00 N ATOM 684 CA ALA A 425 6.423 5.439 -4.364 1.00 0.00 C ATOM 685 C ALA A 425 5.620 4.844 -3.216 1.00 0.00 C ATOM 686 O ALA A 425 4.656 4.110 -3.427 1.00 0.00 O ATOM 687 CB ALA A 425 7.531 4.487 -4.790 1.00 0.00 C ATOM 0 H ALA A 425 7.996 6.792 -4.056 1.00 0.00 H new ATOM 0 HA ALA A 425 5.751 5.588 -5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 425 7.098 3.526 -5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 425 8.063 4.907 -5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 425 8.227 4.345 -3.963 1.00 0.00 H new ATOM 693 N TYR A 426 6.021 5.186 -2.001 1.00 0.00 N ATOM 694 CA TYR A 426 5.345 4.712 -0.801 1.00 0.00 C ATOM 695 C TYR A 426 3.975 5.355 -0.682 1.00 0.00 C ATOM 696 O TYR A 426 2.971 4.688 -0.429 1.00 0.00 O ATOM 697 CB TYR A 426 6.170 5.063 0.435 1.00 0.00 C ATOM 698 CG TYR A 426 5.591 4.535 1.727 1.00 0.00 C ATOM 699 CD1 TYR A 426 5.515 3.170 1.975 1.00 0.00 C ATOM 700 CD2 TYR A 426 5.120 5.406 2.701 1.00 0.00 C ATOM 701 CE1 TYR A 426 4.986 2.689 3.159 1.00 0.00 C ATOM 702 CE2 TYR A 426 4.590 4.934 3.886 1.00 0.00 C ATOM 703 CZ TYR A 426 4.525 3.574 4.109 1.00 0.00 C ATOM 704 OH TYR A 426 3.998 3.100 5.289 1.00 0.00 O ATOM 0 H TYR A 426 6.818 5.795 -1.819 1.00 0.00 H new ATOM 0 HA TYR A 426 5.232 3.630 -0.872 1.00 0.00 H new ATOM 0 HB2 TYR A 426 7.178 4.667 0.311 1.00 0.00 H new ATOM 0 HB3 TYR A 426 6.259 6.147 0.504 1.00 0.00 H new ATOM 0 HD1 TYR A 426 5.875 2.474 1.232 1.00 0.00 H new ATOM 0 HD2 TYR A 426 5.169 6.471 2.529 1.00 0.00 H new ATOM 0 HE1 TYR A 426 4.935 1.625 3.338 1.00 0.00 H new ATOM 0 HE2 TYR A 426 4.229 5.625 4.633 1.00 0.00 H new ATOM 0 HH TYR A 426 3.721 3.854 5.850 1.00 0.00 H new ATOM 714 N ILE A 427 3.955 6.668 -0.861 1.00 0.00 N ATOM 715 CA ILE A 427 2.732 7.443 -0.771 1.00 0.00 C ATOM 716 C ILE A 427 1.859 7.252 -2.008 1.00 0.00 C ATOM 717 O ILE A 427 0.632 7.265 -1.921 1.00 0.00 O ATOM 718 CB ILE A 427 3.059 8.939 -0.587 1.00 0.00 C ATOM 719 CG1 ILE A 427 3.805 9.155 0.732 1.00 0.00 C ATOM 720 CG2 ILE A 427 1.790 9.772 -0.624 1.00 0.00 C ATOM 721 CD1 ILE A 427 5.048 10.005 0.594 1.00 0.00 C ATOM 0 H ILE A 427 4.785 7.222 -1.072 1.00 0.00 H new ATOM 0 HA ILE A 427 2.176 7.086 0.096 1.00 0.00 H new ATOM 0 HB ILE A 427 3.700 9.260 -1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 427 3.131 9.626 1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 427 4.082 8.185 1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 427 2.042 10.824 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 427 1.293 9.635 -1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 427 1.123 9.455 0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 427 5.524 10.115 1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 427 5.742 9.526 -0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 427 4.776 10.988 0.210 1.00 0.00 H new ATOM 733 N ALA A 428 2.499 7.077 -3.159 1.00 0.00 N ATOM 734 CA ALA A 428 1.777 6.885 -4.409 1.00 0.00 C ATOM 735 C ALA A 428 1.016 5.564 -4.406 1.00 0.00 C ATOM 736 O ALA A 428 -0.066 5.458 -4.982 1.00 0.00 O ATOM 737 CB ALA A 428 2.737 6.943 -5.588 1.00 0.00 C ATOM 0 H ALA A 428 3.515 7.064 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 428 1.050 7.691 -4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.183 6.798 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 428 3.230 7.915 -5.608 1.00 0.00 H new ATOM 0 HB3 ALA A 428 3.486 6.158 -5.486 1.00 0.00 H new ATOM 743 N MET A 429 1.590 4.558 -3.753 1.00 0.00 N ATOM 744 CA MET A 429 0.966 3.242 -3.673 1.00 0.00 C ATOM 745 C MET A 429 -0.398 3.327 -2.997 1.00 0.00 C ATOM 746 O MET A 429 -1.337 2.631 -3.383 1.00 0.00 O ATOM 747 CB MET A 429 1.868 2.272 -2.908 1.00 0.00 C ATOM 748 CG MET A 429 3.030 1.743 -3.734 1.00 0.00 C ATOM 749 SD MET A 429 4.397 1.158 -2.713 1.00 0.00 S ATOM 750 CE MET A 429 3.656 -0.279 -1.943 1.00 0.00 C ATOM 0 H MET A 429 2.486 4.629 -3.272 1.00 0.00 H new ATOM 0 HA MET A 429 0.826 2.872 -4.689 1.00 0.00 H new ATOM 0 HB2 MET A 429 2.260 2.774 -2.024 1.00 0.00 H new ATOM 0 HB3 MET A 429 1.269 1.431 -2.558 1.00 0.00 H new ATOM 0 HG2 MET A 429 2.680 0.928 -4.367 1.00 0.00 H new ATOM 0 HG3 MET A 429 3.388 2.531 -4.397 1.00 0.00 H new ATOM 0 HE1 MET A 429 4.034 -0.382 -0.926 1.00 0.00 H new ATOM 0 HE2 MET A 429 2.573 -0.160 -1.918 1.00 0.00 H new ATOM 0 HE3 MET A 429 3.910 -1.171 -2.516 1.00 0.00 H new