USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 581 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 Single : A 462 SER OG : rot 50:sc= 0.616 USER MOD Single : A 463 LYS NZ :NH3+ 147:sc= -0.695 (180deg=-2.6!) USER MOD Single : A 468 ASN : amide:sc= 1.16 K(o=1.2,f=-0.66) USER MOD Single : A 472 GLN : amide:sc= -1.91 K(o=-1.9,f=-2.8) USER MOD Single : A 474 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.07) USER MOD Single : A 475 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD Single : A 484 THR OG1 : rot 71:sc= 0.57 USER MOD Single : A 489 LYS NZ :NH3+ 133:sc= -0.46 (180deg=-1.76) USER MOD Single : A 490 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 THR OG1 : rot 180:sc= 0 USER MOD Single : A 514 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 515 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 LYS NZ :NH3+ 171:sc= -0.575 (180deg=-0.64) USER MOD Single : A 522 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 525 CYS SG : rot 180:sc= 0 USER MOD Single : A 526 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 527 SER OG : rot 41:sc= 1.1 USER MOD Single : A 528 THR OG1 : rot 160:sc= -0.159 USER MOD Single : A 529 HIS : no HD1:sc= -0.361 K(o=-0.36,f=-0.9) USER MOD Single : A 531 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N SER A 462 5.711 0.991 -7.486 1.00 0.00 N ATOM 203 CA SER A 462 5.889 0.281 -6.224 1.00 0.00 C ATOM 204 C SER A 462 5.004 0.879 -5.135 1.00 0.00 C ATOM 205 O SER A 462 5.433 1.751 -4.379 1.00 0.00 O ATOM 206 CB SER A 462 7.356 0.331 -5.790 1.00 0.00 C ATOM 207 OG SER A 462 7.809 1.668 -5.676 1.00 0.00 O ATOM 0 HA SER A 462 5.597 -0.758 -6.375 1.00 0.00 H new ATOM 0 HB2 SER A 462 7.473 -0.179 -4.834 1.00 0.00 H new ATOM 0 HB3 SER A 462 7.971 -0.204 -6.514 1.00 0.00 H new ATOM 0 HG SER A 462 7.171 2.185 -5.141 1.00 0.00 H new ATOM 213 N LYS A 463 3.766 0.402 -5.060 1.00 0.00 N ATOM 214 CA LYS A 463 2.818 0.887 -4.063 1.00 0.00 C ATOM 215 C LYS A 463 1.886 -0.233 -3.610 1.00 0.00 C ATOM 216 O LYS A 463 1.230 -0.876 -4.430 1.00 0.00 O ATOM 217 CB LYS A 463 2.000 2.049 -4.630 1.00 0.00 C ATOM 218 CG LYS A 463 2.782 3.346 -4.742 1.00 0.00 C ATOM 219 CD LYS A 463 1.878 4.557 -4.583 1.00 0.00 C ATOM 220 CE LYS A 463 1.087 4.833 -5.852 1.00 0.00 C ATOM 221 NZ LYS A 463 0.043 3.798 -6.091 1.00 0.00 N ATOM 0 H LYS A 463 3.395 -0.320 -5.678 1.00 0.00 H new ATOM 0 HA LYS A 463 3.383 1.237 -3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 463 1.628 1.773 -5.616 1.00 0.00 H new ATOM 0 HB3 LYS A 463 1.129 2.213 -3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 463 3.561 3.369 -3.980 1.00 0.00 H new ATOM 0 HG3 LYS A 463 3.282 3.388 -5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 463 1.191 4.393 -3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 463 2.479 5.430 -4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 463 0.617 5.814 -5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 463 1.767 4.867 -6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -0.780 4.235 -6.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 0.428 3.052 -6.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -0.249 3.383 -5.183 1.00 0.00 H new ATOM 235 N ILE A 464 1.831 -0.457 -2.302 1.00 0.00 N ATOM 236 CA ILE A 464 0.977 -1.497 -1.741 1.00 0.00 C ATOM 237 C ILE A 464 -0.219 -0.892 -1.014 1.00 0.00 C ATOM 238 O ILE A 464 -0.060 -0.157 -0.039 1.00 0.00 O ATOM 239 CB ILE A 464 1.755 -2.399 -0.765 1.00 0.00 C ATOM 240 CG1 ILE A 464 2.905 -3.100 -1.491 1.00 0.00 C ATOM 241 CG2 ILE A 464 0.822 -3.419 -0.129 1.00 0.00 C ATOM 242 CD1 ILE A 464 3.827 -3.864 -0.566 1.00 0.00 C ATOM 0 H ILE A 464 2.367 0.067 -1.611 1.00 0.00 H new ATOM 0 HA ILE A 464 0.624 -2.101 -2.577 1.00 0.00 H new ATOM 0 HB ILE A 464 2.175 -1.777 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 464 2.492 -3.788 -2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.486 -2.357 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 464 1.386 -4.049 0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 464 0.034 -2.900 0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 464 0.376 -4.039 -0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 464 4.618 -4.335 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 464 4.268 -3.177 0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 464 3.260 -4.631 -0.038 1.00 0.00 H new ATOM 254 N LEU A 465 -1.417 -1.208 -1.493 1.00 0.00 N ATOM 255 CA LEU A 465 -2.642 -0.698 -0.887 1.00 0.00 C ATOM 256 C LEU A 465 -3.404 -1.812 -0.177 1.00 0.00 C ATOM 257 O LEU A 465 -4.062 -2.633 -0.816 1.00 0.00 O ATOM 258 CB LEU A 465 -3.532 -0.055 -1.953 1.00 0.00 C ATOM 259 CG LEU A 465 -5.010 0.094 -1.592 1.00 0.00 C ATOM 260 CD1 LEU A 465 -5.186 1.101 -0.466 1.00 0.00 C ATOM 261 CD2 LEU A 465 -5.818 0.510 -2.813 1.00 0.00 C ATOM 0 H LEU A 465 -1.566 -1.815 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 465 -2.366 0.055 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 465 -3.133 0.933 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 465 -3.459 -0.648 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 465 -5.379 -0.872 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 465 -6.244 1.194 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 465 -4.640 0.762 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 465 -4.800 2.070 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 465 -6.868 0.611 -2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 465 -5.447 1.464 -3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 465 -5.718 -0.247 -3.590 1.00 0.00 H new ATOM 273 N VAL A 466 -3.312 -1.833 1.149 1.00 0.00 N ATOM 274 CA VAL A 466 -3.995 -2.845 1.946 1.00 0.00 C ATOM 275 C VAL A 466 -5.425 -2.422 2.263 1.00 0.00 C ATOM 276 O VAL A 466 -5.656 -1.355 2.831 1.00 0.00 O ATOM 277 CB VAL A 466 -3.248 -3.118 3.266 1.00 0.00 C ATOM 278 CG1 VAL A 466 -2.818 -1.811 3.916 1.00 0.00 C ATOM 279 CG2 VAL A 466 -4.118 -3.932 4.211 1.00 0.00 C ATOM 0 H VAL A 466 -2.771 -1.161 1.694 1.00 0.00 H new ATOM 0 HA VAL A 466 -4.012 -3.758 1.351 1.00 0.00 H new ATOM 0 HB VAL A 466 -2.352 -3.698 3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -2.292 -2.023 4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -2.156 -1.269 3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.698 -1.203 4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -3.575 -4.116 5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -5.033 -3.381 4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -4.371 -4.884 3.744 1.00 0.00 H new ATOM 289 N ARG A 467 -6.382 -3.266 1.891 1.00 0.00 N ATOM 290 CA ARG A 467 -7.790 -2.980 2.134 1.00 0.00 C ATOM 291 C ARG A 467 -8.370 -3.941 3.168 1.00 0.00 C ATOM 292 O ARG A 467 -7.699 -4.873 3.608 1.00 0.00 O ATOM 293 CB ARG A 467 -8.585 -3.076 0.831 1.00 0.00 C ATOM 294 CG ARG A 467 -8.526 -1.814 -0.013 1.00 0.00 C ATOM 295 CD ARG A 467 -9.138 -2.034 -1.388 1.00 0.00 C ATOM 296 NE ARG A 467 -9.396 -0.774 -2.081 1.00 0.00 N ATOM 297 CZ ARG A 467 -10.077 -0.686 -3.218 1.00 0.00 C ATOM 298 NH1 ARG A 467 -10.566 -1.779 -3.787 1.00 0.00 N ATOM 299 NH2 ARG A 467 -10.270 0.496 -3.787 1.00 0.00 N ATOM 0 H ARG A 467 -6.207 -4.154 1.420 1.00 0.00 H new ATOM 0 HA ARG A 467 -7.866 -1.965 2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -8.206 -3.913 0.245 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -9.626 -3.297 1.066 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -9.055 -1.009 0.497 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -7.489 -1.496 -0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -8.467 -2.648 -1.989 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -10.071 -2.589 -1.285 1.00 0.00 H new ATOM 0 HE ARG A 467 -9.033 0.086 -1.669 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -10.420 -2.690 -3.352 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -11.089 -1.709 -4.660 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -9.895 1.339 -3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -10.793 0.562 -4.660 1.00 0.00 H new ATOM 313 N ASN A 468 -9.620 -3.705 3.552 1.00 0.00 N ATOM 314 CA ASN A 468 -10.290 -4.549 4.535 1.00 0.00 C ATOM 315 C ASN A 468 -9.599 -4.456 5.893 1.00 0.00 C ATOM 316 O ASN A 468 -9.569 -5.424 6.652 1.00 0.00 O ATOM 317 CB ASN A 468 -10.311 -6.003 4.060 1.00 0.00 C ATOM 318 CG ASN A 468 -11.496 -6.774 4.610 1.00 0.00 C ATOM 319 OD1 ASN A 468 -12.621 -6.274 4.630 1.00 0.00 O ATOM 320 ND2 ASN A 468 -11.246 -7.997 5.062 1.00 0.00 N ATOM 0 H ASN A 468 -10.190 -2.937 3.198 1.00 0.00 H new ATOM 0 HA ASN A 468 -11.315 -4.194 4.643 1.00 0.00 H new ATOM 0 HB2 ASN A 468 -10.340 -6.026 2.971 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -9.388 -6.495 4.365 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -12.002 -8.563 5.446 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -10.297 -8.370 5.025 1.00 0.00 H new ATOM 327 N ILE A 469 -9.046 -3.285 6.190 1.00 0.00 N ATOM 328 CA ILE A 469 -8.357 -3.065 7.456 1.00 0.00 C ATOM 329 C ILE A 469 -9.351 -2.823 8.587 1.00 0.00 C ATOM 330 O ILE A 469 -10.287 -2.032 8.467 1.00 0.00 O ATOM 331 CB ILE A 469 -7.392 -1.868 7.371 1.00 0.00 C ATOM 332 CG1 ILE A 469 -6.407 -2.060 6.215 1.00 0.00 C ATOM 333 CG2 ILE A 469 -6.646 -1.695 8.686 1.00 0.00 C ATOM 334 CD1 ILE A 469 -5.460 -0.895 6.029 1.00 0.00 C ATOM 0 H ILE A 469 -9.061 -2.474 5.572 1.00 0.00 H new ATOM 0 HA ILE A 469 -7.784 -3.968 7.665 1.00 0.00 H new ATOM 0 HB ILE A 469 -7.972 -0.965 7.183 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -5.826 -2.966 6.390 1.00 0.00 H new ATOM 0 HG13 ILE A 469 -6.967 -2.213 5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -5.968 -0.845 8.610 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -7.361 -1.518 9.489 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -6.074 -2.598 8.901 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -4.791 -1.100 5.193 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -6.032 0.010 5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -4.873 -0.754 6.937 1.00 0.00 H new ATOM 346 N PRO A 470 -9.144 -3.519 9.715 1.00 0.00 N ATOM 347 CA PRO A 470 -10.009 -3.396 10.892 1.00 0.00 C ATOM 348 C PRO A 470 -9.860 -2.044 11.582 1.00 0.00 C ATOM 349 O PRO A 470 -9.062 -1.206 11.161 1.00 0.00 O ATOM 350 CB PRO A 470 -9.524 -4.521 11.809 1.00 0.00 C ATOM 351 CG PRO A 470 -8.109 -4.754 11.406 1.00 0.00 C ATOM 352 CD PRO A 470 -8.048 -4.480 9.929 1.00 0.00 C ATOM 0 HA PRO A 470 -11.065 -3.467 10.631 1.00 0.00 H new ATOM 0 HB2 PRO A 470 -9.595 -4.235 12.858 1.00 0.00 H new ATOM 0 HB3 PRO A 470 -10.125 -5.422 11.683 1.00 0.00 H new ATOM 0 HG2 PRO A 470 -7.434 -4.096 11.953 1.00 0.00 H new ATOM 0 HG3 PRO A 470 -7.804 -5.777 11.626 1.00 0.00 H new ATOM 0 HD2 PRO A 470 -7.084 -4.062 9.637 1.00 0.00 H new ATOM 0 HD3 PRO A 470 -8.191 -5.389 9.345 1.00 0.00 H new ATOM 360 N PHE A 471 -10.631 -1.839 12.644 1.00 0.00 N ATOM 361 CA PHE A 471 -10.585 -0.588 13.393 1.00 0.00 C ATOM 362 C PHE A 471 -9.293 -0.484 14.199 1.00 0.00 C ATOM 363 O PHE A 471 -8.560 0.498 14.091 1.00 0.00 O ATOM 364 CB PHE A 471 -11.792 -0.483 14.327 1.00 0.00 C ATOM 365 CG PHE A 471 -13.100 -0.343 13.602 1.00 0.00 C ATOM 366 CD1 PHE A 471 -13.404 0.818 12.910 1.00 0.00 C ATOM 367 CD2 PHE A 471 -14.027 -1.374 13.613 1.00 0.00 C ATOM 368 CE1 PHE A 471 -14.606 0.949 12.241 1.00 0.00 C ATOM 369 CE2 PHE A 471 -15.231 -1.248 12.946 1.00 0.00 C ATOM 370 CZ PHE A 471 -15.521 -0.085 12.261 1.00 0.00 C ATOM 0 H PHE A 471 -11.296 -2.523 13.006 1.00 0.00 H new ATOM 0 HA PHE A 471 -10.615 0.235 12.679 1.00 0.00 H new ATOM 0 HB2 PHE A 471 -11.830 -1.369 14.960 1.00 0.00 H new ATOM 0 HB3 PHE A 471 -11.658 0.374 14.987 1.00 0.00 H new ATOM 0 HD1 PHE A 471 -12.693 1.631 12.893 1.00 0.00 H new ATOM 0 HD2 PHE A 471 -13.806 -2.285 14.149 1.00 0.00 H new ATOM 0 HE1 PHE A 471 -14.829 1.859 11.703 1.00 0.00 H new ATOM 0 HE2 PHE A 471 -15.944 -2.059 12.961 1.00 0.00 H new ATOM 0 HZ PHE A 471 -16.462 0.016 11.741 1.00 0.00 H new ATOM 380 N GLN A 472 -9.024 -1.505 15.007 1.00 0.00 N ATOM 381 CA GLN A 472 -7.822 -1.528 15.832 1.00 0.00 C ATOM 382 C GLN A 472 -6.594 -1.134 15.017 1.00 0.00 C ATOM 383 O GLN A 472 -5.785 -0.315 15.452 1.00 0.00 O ATOM 384 CB GLN A 472 -7.621 -2.918 16.439 1.00 0.00 C ATOM 385 CG GLN A 472 -8.507 -3.188 17.645 1.00 0.00 C ATOM 386 CD GLN A 472 -8.419 -4.624 18.123 1.00 0.00 C ATOM 387 OE1 GLN A 472 -7.561 -4.968 18.936 1.00 0.00 O ATOM 388 NE2 GLN A 472 -9.309 -5.472 17.620 1.00 0.00 N ATOM 0 H GLN A 472 -9.621 -2.326 15.108 1.00 0.00 H new ATOM 0 HA GLN A 472 -7.950 -0.803 16.636 1.00 0.00 H new ATOM 0 HB2 GLN A 472 -7.820 -3.671 15.676 1.00 0.00 H new ATOM 0 HB3 GLN A 472 -6.577 -3.030 16.733 1.00 0.00 H new ATOM 0 HG2 GLN A 472 -8.221 -2.520 18.458 1.00 0.00 H new ATOM 0 HG3 GLN A 472 -9.541 -2.956 17.391 1.00 0.00 H new ATOM 0 HE21 GLN A 472 -10.003 -5.144 16.948 1.00 0.00 H new ATOM 0 HE22 GLN A 472 -9.298 -6.451 17.905 1.00 0.00 H new ATOM 397 N ALA A 473 -6.461 -1.724 13.834 1.00 0.00 N ATOM 398 CA ALA A 473 -5.333 -1.433 12.958 1.00 0.00 C ATOM 399 C ALA A 473 -4.981 0.050 12.990 1.00 0.00 C ATOM 400 O ALA A 473 -5.826 0.904 12.727 1.00 0.00 O ATOM 401 CB ALA A 473 -5.643 -1.873 11.534 1.00 0.00 C ATOM 0 H ALA A 473 -7.120 -2.406 13.460 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.470 -1.992 13.320 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -4.792 -1.650 10.891 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -5.838 -2.945 11.519 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -6.522 -1.340 11.171 1.00 0.00 H new ATOM 407 N ASN A 474 -3.727 0.348 13.315 1.00 0.00 N ATOM 408 CA ASN A 474 -3.264 1.729 13.384 1.00 0.00 C ATOM 409 C ASN A 474 -1.996 1.919 12.556 1.00 0.00 C ATOM 410 O ASN A 474 -1.390 0.949 12.101 1.00 0.00 O ATOM 411 CB ASN A 474 -3.002 2.131 14.837 1.00 0.00 C ATOM 412 CG ASN A 474 -3.229 3.611 15.078 1.00 0.00 C ATOM 413 OD1 ASN A 474 -2.298 4.348 15.403 1.00 0.00 O ATOM 414 ND2 ASN A 474 -4.472 4.052 14.920 1.00 0.00 N ATOM 0 H ASN A 474 -3.014 -0.348 13.534 1.00 0.00 H new ATOM 0 HA ASN A 474 -4.046 2.368 12.973 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -3.654 1.555 15.494 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -1.976 1.876 15.102 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -4.686 5.038 15.069 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -5.212 3.405 14.650 1.00 0.00 H new ATOM 421 N GLN A 475 -1.601 3.174 12.367 1.00 0.00 N ATOM 422 CA GLN A 475 -0.406 3.490 11.595 1.00 0.00 C ATOM 423 C GLN A 475 0.767 2.615 12.024 1.00 0.00 C ATOM 424 O GLN A 475 1.499 2.087 11.187 1.00 0.00 O ATOM 425 CB GLN A 475 -0.043 4.967 11.759 1.00 0.00 C ATOM 426 CG GLN A 475 1.289 5.340 11.128 1.00 0.00 C ATOM 427 CD GLN A 475 1.934 6.541 11.792 1.00 0.00 C ATOM 428 OE1 GLN A 475 2.284 6.499 12.972 1.00 0.00 O ATOM 429 NE2 GLN A 475 2.094 7.621 11.036 1.00 0.00 N ATOM 0 H GLN A 475 -2.091 3.988 12.738 1.00 0.00 H new ATOM 0 HA GLN A 475 -0.619 3.290 10.545 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -0.829 5.577 11.315 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -0.013 5.209 12.821 1.00 0.00 H new ATOM 0 HG2 GLN A 475 1.967 4.488 11.189 1.00 0.00 H new ATOM 0 HG3 GLN A 475 1.138 5.552 10.070 1.00 0.00 H new ATOM 0 HE21 GLN A 475 1.789 7.612 10.063 1.00 0.00 H new ATOM 0 HE22 GLN A 475 2.522 8.460 11.429 1.00 0.00 H new ATOM 438 N ARG A 476 0.940 2.467 13.333 1.00 0.00 N ATOM 439 CA ARG A 476 2.025 1.657 13.874 1.00 0.00 C ATOM 440 C ARG A 476 1.894 0.204 13.426 1.00 0.00 C ATOM 441 O ARG A 476 2.864 -0.408 12.981 1.00 0.00 O ATOM 442 CB ARG A 476 2.035 1.732 15.401 1.00 0.00 C ATOM 443 CG ARG A 476 2.708 2.982 15.945 1.00 0.00 C ATOM 444 CD ARG A 476 1.732 4.145 16.037 1.00 0.00 C ATOM 445 NE ARG A 476 2.420 5.428 16.154 1.00 0.00 N ATOM 446 CZ ARG A 476 1.800 6.602 16.097 1.00 0.00 C ATOM 447 NH1 ARG A 476 0.487 6.654 15.924 1.00 0.00 N ATOM 448 NH2 ARG A 476 2.495 7.726 16.212 1.00 0.00 N ATOM 0 H ARG A 476 0.343 2.897 14.039 1.00 0.00 H new ATOM 0 HA ARG A 476 2.966 2.054 13.492 1.00 0.00 H new ATOM 0 HB2 ARG A 476 1.008 1.695 15.765 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.545 0.854 15.796 1.00 0.00 H new ATOM 0 HG2 ARG A 476 3.122 2.774 16.932 1.00 0.00 H new ATOM 0 HG3 ARG A 476 3.543 3.257 15.301 1.00 0.00 H new ATOM 0 HD2 ARG A 476 1.095 4.155 15.153 1.00 0.00 H new ATOM 0 HD3 ARG A 476 1.079 4.004 16.899 1.00 0.00 H new ATOM 0 HE ARG A 476 3.431 5.423 16.287 1.00 0.00 H new ATOM 0 HH11 ARG A 476 -0.050 5.792 15.834 1.00 0.00 H new ATOM 0 HH12 ARG A 476 0.014 7.556 15.881 1.00 0.00 H new ATOM 0 HH21 ARG A 476 3.506 7.689 16.344 1.00 0.00 H new ATOM 0 HH22 ARG A 476 2.019 8.627 16.168 1.00 0.00 H new ATOM 462 N GLU A 477 0.688 -0.341 13.549 1.00 0.00 N ATOM 463 CA GLU A 477 0.431 -1.722 13.158 1.00 0.00 C ATOM 464 C GLU A 477 0.968 -2.000 11.757 1.00 0.00 C ATOM 465 O GLU A 477 1.768 -2.915 11.558 1.00 0.00 O ATOM 466 CB GLU A 477 -1.069 -2.020 13.210 1.00 0.00 C ATOM 467 CG GLU A 477 -1.615 -2.154 14.621 1.00 0.00 C ATOM 468 CD GLU A 477 -0.628 -2.809 15.569 1.00 0.00 C ATOM 469 OE1 GLU A 477 -0.100 -3.886 15.224 1.00 0.00 O ATOM 470 OE2 GLU A 477 -0.384 -2.242 16.655 1.00 0.00 O ATOM 0 H GLU A 477 -0.126 0.152 13.916 1.00 0.00 H new ATOM 0 HA GLU A 477 0.948 -2.374 13.862 1.00 0.00 H new ATOM 0 HB2 GLU A 477 -1.607 -1.224 12.696 1.00 0.00 H new ATOM 0 HB3 GLU A 477 -1.267 -2.942 12.664 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -1.877 -1.166 15.001 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -2.534 -2.740 14.597 1.00 0.00 H new ATOM 477 N ILE A 478 0.522 -1.205 10.790 1.00 0.00 N ATOM 478 CA ILE A 478 0.957 -1.365 9.409 1.00 0.00 C ATOM 479 C ILE A 478 2.441 -1.045 9.259 1.00 0.00 C ATOM 480 O ILE A 478 3.165 -1.735 8.542 1.00 0.00 O ATOM 481 CB ILE A 478 0.151 -0.462 8.456 1.00 0.00 C ATOM 482 CG1 ILE A 478 -1.338 -0.807 8.530 1.00 0.00 C ATOM 483 CG2 ILE A 478 0.663 -0.605 7.031 1.00 0.00 C ATOM 484 CD1 ILE A 478 -1.636 -2.264 8.251 1.00 0.00 C ATOM 0 H ILE A 478 -0.140 -0.444 10.938 1.00 0.00 H new ATOM 0 HA ILE A 478 0.783 -2.408 9.143 1.00 0.00 H new ATOM 0 HB ILE A 478 0.281 0.575 8.765 1.00 0.00 H new ATOM 0 HG12 ILE A 478 -1.713 -0.551 9.521 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -1.882 -0.190 7.814 1.00 0.00 H new ATOM 0 HG21 ILE A 478 0.083 0.039 6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 478 1.713 -0.315 6.991 1.00 0.00 H new ATOM 0 HG23 ILE A 478 0.560 -1.641 6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -2.710 -2.436 8.321 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -1.292 -2.520 7.249 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.121 -2.887 8.982 1.00 0.00 H new ATOM 496 N ARG A 479 2.886 0.004 9.943 1.00 0.00 N ATOM 497 CA ARG A 479 4.284 0.414 9.887 1.00 0.00 C ATOM 498 C ARG A 479 5.210 -0.795 9.983 1.00 0.00 C ATOM 499 O ARG A 479 5.912 -1.127 9.029 1.00 0.00 O ATOM 500 CB ARG A 479 4.594 1.398 11.017 1.00 0.00 C ATOM 501 CG ARG A 479 5.661 2.420 10.659 1.00 0.00 C ATOM 502 CD ARG A 479 5.050 3.679 10.065 1.00 0.00 C ATOM 503 NE ARG A 479 6.059 4.543 9.457 1.00 0.00 N ATOM 504 CZ ARG A 479 6.857 5.344 10.154 1.00 0.00 C ATOM 505 NH1 ARG A 479 6.765 5.391 11.476 1.00 0.00 N ATOM 506 NH2 ARG A 479 7.750 6.100 9.528 1.00 0.00 N ATOM 0 H ARG A 479 2.299 0.585 10.542 1.00 0.00 H new ATOM 0 HA ARG A 479 4.454 0.905 8.929 1.00 0.00 H new ATOM 0 HB2 ARG A 479 3.679 1.922 11.292 1.00 0.00 H new ATOM 0 HB3 ARG A 479 4.918 0.839 11.895 1.00 0.00 H new ATOM 0 HG2 ARG A 479 6.233 2.678 11.550 1.00 0.00 H new ATOM 0 HG3 ARG A 479 6.361 1.983 9.947 1.00 0.00 H new ATOM 0 HD2 ARG A 479 4.309 3.403 9.315 1.00 0.00 H new ATOM 0 HD3 ARG A 479 4.524 4.229 10.845 1.00 0.00 H new ATOM 0 HE ARG A 479 6.156 4.530 8.442 1.00 0.00 H new ATOM 0 HH11 ARG A 479 6.080 4.811 11.960 1.00 0.00 H new ATOM 0 HH12 ARG A 479 7.379 6.007 12.008 1.00 0.00 H new ATOM 0 HH21 ARG A 479 7.824 6.066 8.511 1.00 0.00 H new ATOM 0 HH22 ARG A 479 8.363 6.715 10.064 1.00 0.00 H new ATOM 520 N GLU A 480 5.205 -1.447 11.141 1.00 0.00 N ATOM 521 CA GLU A 480 6.046 -2.618 11.361 1.00 0.00 C ATOM 522 C GLU A 480 5.620 -3.772 10.458 1.00 0.00 C ATOM 523 O GLU A 480 6.456 -4.440 9.848 1.00 0.00 O ATOM 524 CB GLU A 480 5.981 -3.052 12.827 1.00 0.00 C ATOM 525 CG GLU A 480 6.458 -1.987 13.799 1.00 0.00 C ATOM 526 CD GLU A 480 7.969 -1.888 13.861 1.00 0.00 C ATOM 527 OE1 GLU A 480 8.613 -2.884 14.253 1.00 0.00 O ATOM 528 OE2 GLU A 480 8.509 -0.816 13.517 1.00 0.00 O ATOM 0 H GLU A 480 4.629 -1.185 11.941 1.00 0.00 H new ATOM 0 HA GLU A 480 7.073 -2.347 11.115 1.00 0.00 H new ATOM 0 HB2 GLU A 480 4.954 -3.322 13.072 1.00 0.00 H new ATOM 0 HB3 GLU A 480 6.586 -3.949 12.959 1.00 0.00 H new ATOM 0 HG2 GLU A 480 6.046 -1.022 13.505 1.00 0.00 H new ATOM 0 HG3 GLU A 480 6.071 -2.209 14.794 1.00 0.00 H new ATOM 535 N LEU A 481 4.313 -4.000 10.376 1.00 0.00 N ATOM 536 CA LEU A 481 3.774 -5.073 9.548 1.00 0.00 C ATOM 537 C LEU A 481 4.583 -5.229 8.265 1.00 0.00 C ATOM 538 O LEU A 481 4.913 -6.343 7.859 1.00 0.00 O ATOM 539 CB LEU A 481 2.308 -4.795 9.210 1.00 0.00 C ATOM 540 CG LEU A 481 1.559 -5.920 8.495 1.00 0.00 C ATOM 541 CD1 LEU A 481 1.140 -6.995 9.486 1.00 0.00 C ATOM 542 CD2 LEU A 481 0.348 -5.370 7.757 1.00 0.00 C ATOM 0 H LEU A 481 3.608 -3.456 10.873 1.00 0.00 H new ATOM 0 HA LEU A 481 3.840 -6.003 10.113 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.780 -4.565 10.135 1.00 0.00 H new ATOM 0 HB3 LEU A 481 2.263 -3.902 8.587 1.00 0.00 H new ATOM 0 HG LEU A 481 2.230 -6.371 7.764 1.00 0.00 H new ATOM 0 HD11 LEU A 481 0.608 -7.788 8.960 1.00 0.00 H new ATOM 0 HD12 LEU A 481 2.025 -7.410 9.968 1.00 0.00 H new ATOM 0 HD13 LEU A 481 0.486 -6.559 10.241 1.00 0.00 H new ATOM 0 HD21 LEU A 481 -0.173 -6.185 7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 481 -0.326 -4.893 8.469 1.00 0.00 H new ATOM 0 HD23 LEU A 481 0.674 -4.637 7.019 1.00 0.00 H new ATOM 554 N PHE A 482 4.902 -4.105 7.631 1.00 0.00 N ATOM 555 CA PHE A 482 5.674 -4.117 6.394 1.00 0.00 C ATOM 556 C PHE A 482 7.154 -3.878 6.675 1.00 0.00 C ATOM 557 O PHE A 482 8.015 -4.614 6.193 1.00 0.00 O ATOM 558 CB PHE A 482 5.148 -3.052 5.430 1.00 0.00 C ATOM 559 CG PHE A 482 3.829 -3.408 4.805 1.00 0.00 C ATOM 560 CD1 PHE A 482 3.778 -4.191 3.663 1.00 0.00 C ATOM 561 CD2 PHE A 482 2.641 -2.960 5.359 1.00 0.00 C ATOM 562 CE1 PHE A 482 2.566 -4.519 3.085 1.00 0.00 C ATOM 563 CE2 PHE A 482 1.426 -3.286 4.786 1.00 0.00 C ATOM 564 CZ PHE A 482 1.389 -4.067 3.648 1.00 0.00 C ATOM 0 H PHE A 482 4.638 -3.174 7.954 1.00 0.00 H new ATOM 0 HA PHE A 482 5.563 -5.099 5.935 1.00 0.00 H new ATOM 0 HB2 PHE A 482 5.044 -2.108 5.965 1.00 0.00 H new ATOM 0 HB3 PHE A 482 5.883 -2.892 4.641 1.00 0.00 H new ATOM 0 HD1 PHE A 482 4.695 -4.549 3.220 1.00 0.00 H new ATOM 0 HD2 PHE A 482 2.664 -2.349 6.249 1.00 0.00 H new ATOM 0 HE1 PHE A 482 2.540 -5.128 2.194 1.00 0.00 H new ATOM 0 HE2 PHE A 482 0.507 -2.930 5.228 1.00 0.00 H new ATOM 0 HZ PHE A 482 0.441 -4.324 3.199 1.00 0.00 H new ATOM 574 N SER A 483 7.443 -2.844 7.459 1.00 0.00 N ATOM 575 CA SER A 483 8.819 -2.504 7.801 1.00 0.00 C ATOM 576 C SER A 483 9.653 -3.764 8.012 1.00 0.00 C ATOM 577 O SER A 483 10.806 -3.839 7.586 1.00 0.00 O ATOM 578 CB SER A 483 8.855 -1.639 9.062 1.00 0.00 C ATOM 579 OG SER A 483 10.118 -1.017 9.218 1.00 0.00 O ATOM 0 H SER A 483 6.742 -2.227 7.869 1.00 0.00 H new ATOM 0 HA SER A 483 9.245 -1.941 6.971 1.00 0.00 H new ATOM 0 HB2 SER A 483 8.076 -0.879 9.007 1.00 0.00 H new ATOM 0 HB3 SER A 483 8.639 -2.255 9.935 1.00 0.00 H new ATOM 0 HG SER A 483 10.115 -0.469 10.030 1.00 0.00 H new ATOM 585 N THR A 484 9.061 -4.755 8.673 1.00 0.00 N ATOM 586 CA THR A 484 9.748 -6.012 8.942 1.00 0.00 C ATOM 587 C THR A 484 10.367 -6.583 7.671 1.00 0.00 C ATOM 588 O THR A 484 11.530 -6.988 7.663 1.00 0.00 O ATOM 589 CB THR A 484 8.792 -7.056 9.548 1.00 0.00 C ATOM 590 OG1 THR A 484 8.262 -6.574 10.788 1.00 0.00 O ATOM 591 CG2 THR A 484 9.509 -8.378 9.777 1.00 0.00 C ATOM 0 H THR A 484 8.107 -4.711 9.032 1.00 0.00 H new ATOM 0 HA THR A 484 10.538 -5.793 9.661 1.00 0.00 H new ATOM 0 HB THR A 484 7.976 -7.220 8.844 1.00 0.00 H new ATOM 0 HG1 THR A 484 7.633 -5.843 10.613 1.00 0.00 H new ATOM 0 HG21 THR A 484 8.814 -9.100 10.206 1.00 0.00 H new ATOM 0 HG22 THR A 484 9.886 -8.757 8.827 1.00 0.00 H new ATOM 0 HG23 THR A 484 10.342 -8.226 10.463 1.00 0.00 H new ATOM 599 N PHE A 485 9.584 -6.612 6.598 1.00 0.00 N ATOM 600 CA PHE A 485 10.056 -7.134 5.321 1.00 0.00 C ATOM 601 C PHE A 485 11.191 -6.277 4.769 1.00 0.00 C ATOM 602 O PHE A 485 12.147 -6.791 4.190 1.00 0.00 O ATOM 603 CB PHE A 485 8.907 -7.189 4.312 1.00 0.00 C ATOM 604 CG PHE A 485 8.055 -8.420 4.441 1.00 0.00 C ATOM 605 CD1 PHE A 485 7.096 -8.514 5.437 1.00 0.00 C ATOM 606 CD2 PHE A 485 8.213 -9.482 3.566 1.00 0.00 C ATOM 607 CE1 PHE A 485 6.312 -9.645 5.557 1.00 0.00 C ATOM 608 CE2 PHE A 485 7.431 -10.616 3.681 1.00 0.00 C ATOM 609 CZ PHE A 485 6.479 -10.697 4.678 1.00 0.00 C ATOM 0 H PHE A 485 8.620 -6.280 6.587 1.00 0.00 H new ATOM 0 HA PHE A 485 10.433 -8.143 5.487 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.279 -6.307 4.440 1.00 0.00 H new ATOM 0 HB3 PHE A 485 9.317 -7.145 3.303 1.00 0.00 H new ATOM 0 HD1 PHE A 485 6.960 -7.694 6.127 1.00 0.00 H new ATOM 0 HD2 PHE A 485 8.956 -9.423 2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 485 5.569 -9.707 6.338 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.564 -11.437 2.992 1.00 0.00 H new ATOM 0 HZ PHE A 485 5.866 -11.581 4.770 1.00 0.00 H new ATOM 619 N GLY A 486 11.078 -4.965 4.953 1.00 0.00 N ATOM 620 CA GLY A 486 12.100 -4.057 4.467 1.00 0.00 C ATOM 621 C GLY A 486 11.841 -2.620 4.876 1.00 0.00 C ATOM 622 O GLY A 486 10.828 -2.321 5.508 1.00 0.00 O ATOM 0 H GLY A 486 10.297 -4.515 5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 486 13.072 -4.371 4.849 1.00 0.00 H new ATOM 0 HA3 GLY A 486 12.149 -4.119 3.380 1.00 0.00 H new ATOM 626 N GLU A 487 12.760 -1.729 4.517 1.00 0.00 N ATOM 627 CA GLU A 487 12.627 -0.317 4.854 1.00 0.00 C ATOM 628 C GLU A 487 11.460 0.315 4.100 1.00 0.00 C ATOM 629 O GLU A 487 11.225 0.010 2.929 1.00 0.00 O ATOM 630 CB GLU A 487 13.922 0.432 4.532 1.00 0.00 C ATOM 631 CG GLU A 487 13.897 1.895 4.942 1.00 0.00 C ATOM 632 CD GLU A 487 15.254 2.560 4.812 1.00 0.00 C ATOM 633 OE1 GLU A 487 16.253 1.964 5.266 1.00 0.00 O ATOM 634 OE2 GLU A 487 15.315 3.676 4.256 1.00 0.00 O ATOM 0 H GLU A 487 13.604 -1.960 3.993 1.00 0.00 H new ATOM 0 HA GLU A 487 12.429 -0.243 5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 487 14.753 -0.063 5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 487 14.113 0.367 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 487 13.174 2.429 4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 487 13.555 1.974 5.974 1.00 0.00 H new ATOM 641 N LEU A 488 10.732 1.194 4.778 1.00 0.00 N ATOM 642 CA LEU A 488 9.589 1.869 4.173 1.00 0.00 C ATOM 643 C LEU A 488 9.909 3.333 3.889 1.00 0.00 C ATOM 644 O LEU A 488 10.820 3.908 4.484 1.00 0.00 O ATOM 645 CB LEU A 488 8.369 1.771 5.092 1.00 0.00 C ATOM 646 CG LEU A 488 7.826 0.364 5.338 1.00 0.00 C ATOM 647 CD1 LEU A 488 6.816 0.372 6.475 1.00 0.00 C ATOM 648 CD2 LEU A 488 7.199 -0.196 4.069 1.00 0.00 C ATOM 0 H LEU A 488 10.912 1.456 5.747 1.00 0.00 H new ATOM 0 HA LEU A 488 9.365 1.375 3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 488 8.628 2.212 6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 488 7.570 2.378 4.667 1.00 0.00 H new ATOM 0 HG LEU A 488 8.658 -0.280 5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 488 6.441 -0.639 6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 488 7.296 0.729 7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 488 5.986 1.031 6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 488 6.818 -1.199 4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 488 6.379 0.449 3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 488 7.950 -0.240 3.281 1.00 0.00 H new ATOM 660 N LYS A 489 9.152 3.932 2.975 1.00 0.00 N ATOM 661 CA LYS A 489 9.351 5.330 2.613 1.00 0.00 C ATOM 662 C LYS A 489 8.362 6.229 3.348 1.00 0.00 C ATOM 663 O LYS A 489 8.716 7.316 3.807 1.00 0.00 O ATOM 664 CB LYS A 489 9.198 5.514 1.101 1.00 0.00 C ATOM 665 CG LYS A 489 10.499 5.354 0.334 1.00 0.00 C ATOM 666 CD LYS A 489 10.458 6.092 -0.994 1.00 0.00 C ATOM 667 CE LYS A 489 9.932 5.202 -2.110 1.00 0.00 C ATOM 668 NZ LYS A 489 8.467 4.965 -1.986 1.00 0.00 N ATOM 0 H LYS A 489 8.395 3.470 2.471 1.00 0.00 H new ATOM 0 HA LYS A 489 10.361 5.615 2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 489 8.474 4.790 0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 489 8.789 6.505 0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 489 11.326 5.731 0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 489 10.690 4.296 0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 489 9.825 6.974 -0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 489 11.458 6.443 -1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 489 10.145 5.664 -3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 489 10.457 4.247 -2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 489 8.012 5.111 -2.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 489 8.299 3.989 -1.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 489 8.065 5.629 -1.294 1.00 0.00 H new ATOM 682 N THR A 490 7.120 5.769 3.457 1.00 0.00 N ATOM 683 CA THR A 490 6.079 6.531 4.136 1.00 0.00 C ATOM 684 C THR A 490 4.845 5.673 4.388 1.00 0.00 C ATOM 685 O THR A 490 4.387 4.951 3.502 1.00 0.00 O ATOM 686 CB THR A 490 5.670 7.773 3.321 1.00 0.00 C ATOM 687 OG1 THR A 490 4.553 8.419 3.941 1.00 0.00 O ATOM 688 CG2 THR A 490 5.313 7.390 1.893 1.00 0.00 C ATOM 0 H THR A 490 6.810 4.872 3.084 1.00 0.00 H new ATOM 0 HA THR A 490 6.495 6.853 5.091 1.00 0.00 H new ATOM 0 HB THR A 490 6.517 8.459 3.295 1.00 0.00 H new ATOM 0 HG1 THR A 490 4.300 9.208 3.418 1.00 0.00 H new ATOM 0 HG21 THR A 490 5.028 8.283 1.337 1.00 0.00 H new ATOM 0 HG22 THR A 490 6.175 6.925 1.415 1.00 0.00 H new ATOM 0 HG23 THR A 490 4.480 6.687 1.902 1.00 0.00 H new ATOM 696 N VAL A 491 4.309 5.757 5.601 1.00 0.00 N ATOM 697 CA VAL A 491 3.125 4.990 5.969 1.00 0.00 C ATOM 698 C VAL A 491 1.921 5.901 6.175 1.00 0.00 C ATOM 699 O VAL A 491 1.832 6.613 7.176 1.00 0.00 O ATOM 700 CB VAL A 491 3.363 4.174 7.254 1.00 0.00 C ATOM 701 CG1 VAL A 491 2.038 3.765 7.880 1.00 0.00 C ATOM 702 CG2 VAL A 491 4.221 2.953 6.958 1.00 0.00 C ATOM 0 H VAL A 491 4.676 6.349 6.346 1.00 0.00 H new ATOM 0 HA VAL A 491 2.922 4.306 5.145 1.00 0.00 H new ATOM 0 HB VAL A 491 3.897 4.801 7.968 1.00 0.00 H new ATOM 0 HG11 VAL A 491 2.226 3.190 8.786 1.00 0.00 H new ATOM 0 HG12 VAL A 491 1.463 4.657 8.129 1.00 0.00 H new ATOM 0 HG13 VAL A 491 1.475 3.155 7.174 1.00 0.00 H new ATOM 0 HG21 VAL A 491 4.379 2.388 7.877 1.00 0.00 H new ATOM 0 HG22 VAL A 491 3.716 2.322 6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 491 5.183 3.273 6.558 1.00 0.00 H new ATOM 712 N ARG A 492 0.996 5.874 5.221 1.00 0.00 N ATOM 713 CA ARG A 492 -0.204 6.699 5.297 1.00 0.00 C ATOM 714 C ARG A 492 -1.414 5.863 5.704 1.00 0.00 C ATOM 715 O ARG A 492 -1.674 4.806 5.127 1.00 0.00 O ATOM 716 CB ARG A 492 -0.469 7.377 3.951 1.00 0.00 C ATOM 717 CG ARG A 492 0.454 8.552 3.670 1.00 0.00 C ATOM 718 CD ARG A 492 0.137 9.200 2.331 1.00 0.00 C ATOM 719 NE ARG A 492 -0.879 10.242 2.454 1.00 0.00 N ATOM 720 CZ ARG A 492 -1.614 10.675 1.435 1.00 0.00 C ATOM 721 NH1 ARG A 492 -1.447 10.158 0.226 1.00 0.00 N ATOM 722 NH2 ARG A 492 -2.519 11.626 1.626 1.00 0.00 N ATOM 0 H ARG A 492 1.054 5.290 4.387 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.041 7.464 6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 492 -0.359 6.641 3.155 1.00 0.00 H new ATOM 0 HB3 ARG A 492 -1.502 7.723 3.925 1.00 0.00 H new ATOM 0 HG2 ARG A 492 0.357 9.291 4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 492 1.490 8.212 3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 492 1.047 9.629 1.911 1.00 0.00 H new ATOM 0 HD3 ARG A 492 -0.208 8.438 1.632 1.00 0.00 H new ATOM 0 HE ARG A 492 -1.033 10.660 3.372 1.00 0.00 H new ATOM 0 HH11 ARG A 492 -0.753 9.426 0.076 1.00 0.00 H new ATOM 0 HH12 ARG A 492 -2.013 10.492 -0.554 1.00 0.00 H new ATOM 0 HH21 ARG A 492 -2.651 12.025 2.555 1.00 0.00 H new ATOM 0 HH22 ARG A 492 -3.083 11.958 0.844 1.00 0.00 H new ATOM 736 N LEU A 493 -2.149 6.342 6.701 1.00 0.00 N ATOM 737 CA LEU A 493 -3.332 5.639 7.186 1.00 0.00 C ATOM 738 C LEU A 493 -4.448 6.621 7.528 1.00 0.00 C ATOM 739 O LEU A 493 -4.207 7.733 7.999 1.00 0.00 O ATOM 740 CB LEU A 493 -2.982 4.799 8.415 1.00 0.00 C ATOM 741 CG LEU A 493 -2.480 3.381 8.139 1.00 0.00 C ATOM 742 CD1 LEU A 493 -0.967 3.370 7.987 1.00 0.00 C ATOM 743 CD2 LEU A 493 -2.914 2.436 9.250 1.00 0.00 C ATOM 0 H LEU A 493 -1.947 7.214 7.190 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.684 4.981 6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.219 5.328 8.986 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -3.866 4.733 9.049 1.00 0.00 H new ATOM 0 HG LEU A 493 -2.920 3.036 7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -0.628 2.353 7.791 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -0.680 4.014 7.156 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -0.506 3.735 8.905 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -2.548 1.432 9.037 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.503 2.778 10.200 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.002 2.420 9.310 1.00 0.00 H new ATOM 899 N ARG A 504 -11.166 4.075 7.501 1.00 0.00 N ATOM 900 CA ARG A 504 -11.726 3.081 6.593 1.00 0.00 C ATOM 901 C ARG A 504 -10.748 1.930 6.377 1.00 0.00 C ATOM 902 O ARG A 504 -9.578 2.018 6.749 1.00 0.00 O ATOM 903 CB ARG A 504 -12.075 3.726 5.250 1.00 0.00 C ATOM 904 CG ARG A 504 -12.810 2.794 4.300 1.00 0.00 C ATOM 905 CD ARG A 504 -13.380 3.548 3.110 1.00 0.00 C ATOM 906 NE ARG A 504 -14.293 4.612 3.522 1.00 0.00 N ATOM 907 CZ ARG A 504 -15.021 5.325 2.671 1.00 0.00 C ATOM 908 NH1 ARG A 504 -14.945 5.090 1.368 1.00 0.00 N ATOM 909 NH2 ARG A 504 -15.829 6.276 3.123 1.00 0.00 N ATOM 0 HA ARG A 504 -12.635 2.683 7.045 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -12.690 4.608 5.429 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -11.158 4.069 4.772 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -12.128 2.019 3.949 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -13.616 2.291 4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -12.564 3.976 2.527 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -13.906 2.851 2.458 1.00 0.00 H new ATOM 0 HE ARG A 504 -14.375 4.818 4.518 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -14.326 4.359 1.017 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -15.506 5.640 0.717 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -15.891 6.459 4.124 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -16.388 6.824 2.469 1.00 0.00 H new ATOM 923 N GLY A 505 -11.236 0.850 5.775 1.00 0.00 N ATOM 924 CA GLY A 505 -10.392 -0.303 5.521 1.00 0.00 C ATOM 925 C GLY A 505 -9.517 -0.123 4.297 1.00 0.00 C ATOM 926 O GLY A 505 -9.725 -0.776 3.274 1.00 0.00 O ATOM 0 H GLY A 505 -12.201 0.753 5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 505 -9.761 -0.486 6.391 1.00 0.00 H new ATOM 0 HA3 GLY A 505 -11.018 -1.186 5.390 1.00 0.00 H new ATOM 930 N PHE A 506 -8.535 0.767 4.399 1.00 0.00 N ATOM 931 CA PHE A 506 -7.626 1.033 3.291 1.00 0.00 C ATOM 932 C PHE A 506 -6.382 1.773 3.773 1.00 0.00 C ATOM 933 O PHE A 506 -6.478 2.792 4.456 1.00 0.00 O ATOM 934 CB PHE A 506 -8.333 1.853 2.209 1.00 0.00 C ATOM 935 CG PHE A 506 -8.401 3.321 2.518 1.00 0.00 C ATOM 936 CD1 PHE A 506 -9.026 3.772 3.670 1.00 0.00 C ATOM 937 CD2 PHE A 506 -7.841 4.250 1.657 1.00 0.00 C ATOM 938 CE1 PHE A 506 -9.089 5.123 3.957 1.00 0.00 C ATOM 939 CE2 PHE A 506 -7.901 5.602 1.939 1.00 0.00 C ATOM 940 CZ PHE A 506 -8.527 6.039 3.090 1.00 0.00 C ATOM 0 H PHE A 506 -8.349 1.316 5.238 1.00 0.00 H new ATOM 0 HA PHE A 506 -7.318 0.076 2.870 1.00 0.00 H new ATOM 0 HB2 PHE A 506 -7.814 1.713 1.261 1.00 0.00 H new ATOM 0 HB3 PHE A 506 -9.345 1.470 2.078 1.00 0.00 H new ATOM 0 HD1 PHE A 506 -9.469 3.060 4.351 1.00 0.00 H new ATOM 0 HD2 PHE A 506 -7.352 3.914 0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 506 -9.577 5.462 4.859 1.00 0.00 H new ATOM 0 HE2 PHE A 506 -7.459 6.316 1.260 1.00 0.00 H new ATOM 0 HZ PHE A 506 -8.577 7.095 3.311 1.00 0.00 H new ATOM 950 N GLY A 507 -5.213 1.252 3.412 1.00 0.00 N ATOM 951 CA GLY A 507 -3.966 1.874 3.817 1.00 0.00 C ATOM 952 C GLY A 507 -2.955 1.933 2.690 1.00 0.00 C ATOM 953 O GLY A 507 -2.894 1.032 1.853 1.00 0.00 O ATOM 0 H GLY A 507 -5.108 0.410 2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -4.167 2.884 4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -3.541 1.319 4.653 1.00 0.00 H new ATOM 957 N PHE A 508 -2.158 2.996 2.666 1.00 0.00 N ATOM 958 CA PHE A 508 -1.146 3.170 1.631 1.00 0.00 C ATOM 959 C PHE A 508 0.254 2.949 2.197 1.00 0.00 C ATOM 960 O PHE A 508 0.702 3.682 3.080 1.00 0.00 O ATOM 961 CB PHE A 508 -1.246 4.569 1.020 1.00 0.00 C ATOM 962 CG PHE A 508 -2.323 4.694 -0.019 1.00 0.00 C ATOM 963 CD1 PHE A 508 -2.201 4.055 -1.242 1.00 0.00 C ATOM 964 CD2 PHE A 508 -3.458 5.450 0.228 1.00 0.00 C ATOM 965 CE1 PHE A 508 -3.191 4.167 -2.201 1.00 0.00 C ATOM 966 CE2 PHE A 508 -4.452 5.565 -0.726 1.00 0.00 C ATOM 967 CZ PHE A 508 -4.317 4.924 -1.942 1.00 0.00 C ATOM 0 H PHE A 508 -2.194 3.750 3.352 1.00 0.00 H new ATOM 0 HA PHE A 508 -1.326 2.428 0.853 1.00 0.00 H new ATOM 0 HB2 PHE A 508 -1.433 5.291 1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 508 -0.288 4.830 0.571 1.00 0.00 H new ATOM 0 HD1 PHE A 508 -1.322 3.462 -1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 508 -3.567 5.955 1.176 1.00 0.00 H new ATOM 0 HE1 PHE A 508 -3.084 3.664 -3.151 1.00 0.00 H new ATOM 0 HE2 PHE A 508 -5.333 6.155 -0.521 1.00 0.00 H new ATOM 0 HZ PHE A 508 -5.091 5.015 -2.690 1.00 0.00 H new ATOM 977 N VAL A 509 0.941 1.934 1.683 1.00 0.00 N ATOM 978 CA VAL A 509 2.289 1.616 2.136 1.00 0.00 C ATOM 979 C VAL A 509 3.289 1.701 0.988 1.00 0.00 C ATOM 980 O VAL A 509 3.131 1.037 -0.037 1.00 0.00 O ATOM 981 CB VAL A 509 2.356 0.207 2.756 1.00 0.00 C ATOM 982 CG1 VAL A 509 3.759 -0.087 3.264 1.00 0.00 C ATOM 983 CG2 VAL A 509 1.335 0.070 3.875 1.00 0.00 C ATOM 0 H VAL A 509 0.586 1.318 0.952 1.00 0.00 H new ATOM 0 HA VAL A 509 2.549 2.352 2.896 1.00 0.00 H new ATOM 0 HB VAL A 509 2.116 -0.523 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 509 3.787 -1.086 3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 509 4.465 -0.032 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 509 4.032 0.646 4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 509 1.395 -0.931 4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 509 1.543 0.808 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 509 0.334 0.234 3.476 1.00 0.00 H new ATOM 993 N ASP A 510 4.318 2.522 1.166 1.00 0.00 N ATOM 994 CA ASP A 510 5.345 2.694 0.145 1.00 0.00 C ATOM 995 C ASP A 510 6.663 2.067 0.590 1.00 0.00 C ATOM 996 O ASP A 510 7.041 2.155 1.758 1.00 0.00 O ATOM 997 CB ASP A 510 5.550 4.179 -0.158 1.00 0.00 C ATOM 998 CG ASP A 510 4.317 4.821 -0.762 1.00 0.00 C ATOM 999 OD1 ASP A 510 3.963 4.467 -1.907 1.00 0.00 O ATOM 1000 OD2 ASP A 510 3.705 5.678 -0.091 1.00 0.00 O ATOM 0 H ASP A 510 4.463 3.079 2.008 1.00 0.00 H new ATOM 0 HA ASP A 510 5.010 2.189 -0.761 1.00 0.00 H new ATOM 0 HB2 ASP A 510 5.815 4.701 0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 510 6.389 4.295 -0.844 1.00 0.00 H new ATOM 1005 N PHE A 511 7.357 1.432 -0.349 1.00 0.00 N ATOM 1006 CA PHE A 511 8.631 0.788 -0.054 1.00 0.00 C ATOM 1007 C PHE A 511 9.785 1.537 -0.714 1.00 0.00 C ATOM 1008 O PHE A 511 9.590 2.262 -1.690 1.00 0.00 O ATOM 1009 CB PHE A 511 8.614 -0.666 -0.529 1.00 0.00 C ATOM 1010 CG PHE A 511 8.124 -1.631 0.512 1.00 0.00 C ATOM 1011 CD1 PHE A 511 9.008 -2.221 1.401 1.00 0.00 C ATOM 1012 CD2 PHE A 511 6.778 -1.949 0.602 1.00 0.00 C ATOM 1013 CE1 PHE A 511 8.561 -3.109 2.360 1.00 0.00 C ATOM 1014 CE2 PHE A 511 6.324 -2.836 1.560 1.00 0.00 C ATOM 1015 CZ PHE A 511 7.217 -3.418 2.440 1.00 0.00 C ATOM 0 H PHE A 511 7.058 1.350 -1.321 1.00 0.00 H new ATOM 0 HA PHE A 511 8.778 0.808 1.026 1.00 0.00 H new ATOM 0 HB2 PHE A 511 7.980 -0.744 -1.412 1.00 0.00 H new ATOM 0 HB3 PHE A 511 9.621 -0.952 -0.833 1.00 0.00 H new ATOM 0 HD1 PHE A 511 10.060 -1.984 1.343 1.00 0.00 H new ATOM 0 HD2 PHE A 511 6.076 -1.499 -0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 511 9.261 -3.561 3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 511 5.272 -3.074 1.621 1.00 0.00 H new ATOM 0 HZ PHE A 511 6.865 -4.113 3.188 1.00 0.00 H new ATOM 1025 N ILE A 512 10.986 1.357 -0.175 1.00 0.00 N ATOM 1026 CA ILE A 512 12.171 2.014 -0.711 1.00 0.00 C ATOM 1027 C ILE A 512 12.503 1.496 -2.107 1.00 0.00 C ATOM 1028 O ILE A 512 12.984 2.242 -2.960 1.00 0.00 O ATOM 1029 CB ILE A 512 13.392 1.809 0.204 1.00 0.00 C ATOM 1030 CG1 ILE A 512 13.068 2.257 1.631 1.00 0.00 C ATOM 1031 CG2 ILE A 512 14.593 2.570 -0.336 1.00 0.00 C ATOM 1032 CD1 ILE A 512 12.857 3.749 1.763 1.00 0.00 C ATOM 0 H ILE A 512 11.164 0.761 0.633 1.00 0.00 H new ATOM 0 HA ILE A 512 11.943 3.079 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 512 13.639 0.747 0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 512 12.170 1.740 1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 512 13.880 1.953 2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 512 15.448 2.415 0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 512 14.834 2.208 -1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 512 14.359 3.634 -0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 512 12.631 3.994 2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 512 13.762 4.273 1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 512 12.026 4.056 1.129 1.00 0.00 H new ATOM 1044 N THR A 513 12.240 0.213 -2.333 1.00 0.00 N ATOM 1045 CA THR A 513 12.510 -0.406 -3.625 1.00 0.00 C ATOM 1046 C THR A 513 11.379 -1.343 -4.033 1.00 0.00 C ATOM 1047 O THR A 513 10.540 -1.714 -3.212 1.00 0.00 O ATOM 1048 CB THR A 513 13.833 -1.195 -3.605 1.00 0.00 C ATOM 1049 OG1 THR A 513 13.877 -2.048 -2.455 1.00 0.00 O ATOM 1050 CG2 THR A 513 15.026 -0.251 -3.588 1.00 0.00 C ATOM 0 H THR A 513 11.840 -0.418 -1.638 1.00 0.00 H new ATOM 0 HA THR A 513 12.589 0.402 -4.352 1.00 0.00 H new ATOM 0 HB THR A 513 13.883 -1.801 -4.509 1.00 0.00 H new ATOM 0 HG1 THR A 513 14.720 -2.547 -2.450 1.00 0.00 H new ATOM 0 HG21 THR A 513 15.949 -0.831 -3.574 1.00 0.00 H new ATOM 0 HG22 THR A 513 15.006 0.377 -4.479 1.00 0.00 H new ATOM 0 HG23 THR A 513 14.979 0.378 -2.699 1.00 0.00 H new ATOM 1058 N LYS A 514 11.363 -1.724 -5.306 1.00 0.00 N ATOM 1059 CA LYS A 514 10.336 -2.620 -5.823 1.00 0.00 C ATOM 1060 C LYS A 514 10.538 -4.039 -5.300 1.00 0.00 C ATOM 1061 O LYS A 514 9.588 -4.691 -4.868 1.00 0.00 O ATOM 1062 CB LYS A 514 10.355 -2.622 -7.353 1.00 0.00 C ATOM 1063 CG LYS A 514 9.725 -1.386 -7.971 1.00 0.00 C ATOM 1064 CD LYS A 514 10.330 -1.070 -9.328 1.00 0.00 C ATOM 1065 CE LYS A 514 11.714 -0.454 -9.191 1.00 0.00 C ATOM 1066 NZ LYS A 514 11.645 1.003 -8.888 1.00 0.00 N ATOM 0 H LYS A 514 12.050 -1.426 -5.999 1.00 0.00 H new ATOM 0 HA LYS A 514 9.367 -2.259 -5.478 1.00 0.00 H new ATOM 0 HB2 LYS A 514 11.387 -2.703 -7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 514 9.829 -3.506 -7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 514 8.651 -1.539 -8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 514 9.861 -0.535 -7.304 1.00 0.00 H new ATOM 0 HD2 LYS A 514 10.394 -1.983 -9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 514 9.677 -0.384 -9.868 1.00 0.00 H new ATOM 0 HE2 LYS A 514 12.262 -0.964 -8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 514 12.273 -0.607 -10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 514 12.608 1.386 -8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 514 11.144 1.494 -9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 514 11.134 1.148 -7.994 1.00 0.00 H new ATOM 1080 N GLN A 515 11.780 -4.509 -5.341 1.00 0.00 N ATOM 1081 CA GLN A 515 12.106 -5.850 -4.870 1.00 0.00 C ATOM 1082 C GLN A 515 11.440 -6.131 -3.527 1.00 0.00 C ATOM 1083 O GLN A 515 10.620 -7.042 -3.408 1.00 0.00 O ATOM 1084 CB GLN A 515 13.621 -6.016 -4.746 1.00 0.00 C ATOM 1085 CG GLN A 515 14.348 -5.974 -6.081 1.00 0.00 C ATOM 1086 CD GLN A 515 15.841 -5.757 -5.925 1.00 0.00 C ATOM 1087 OE1 GLN A 515 16.589 -6.692 -5.640 1.00 0.00 O ATOM 1088 NE2 GLN A 515 16.281 -4.519 -6.114 1.00 0.00 N ATOM 0 H GLN A 515 12.578 -3.981 -5.696 1.00 0.00 H new ATOM 0 HA GLN A 515 11.728 -6.566 -5.600 1.00 0.00 H new ATOM 0 HB2 GLN A 515 14.013 -5.228 -4.103 1.00 0.00 H new ATOM 0 HB3 GLN A 515 13.835 -6.965 -4.254 1.00 0.00 H new ATOM 0 HG2 GLN A 515 14.174 -6.908 -6.615 1.00 0.00 H new ATOM 0 HG3 GLN A 515 13.930 -5.175 -6.693 1.00 0.00 H new ATOM 0 HE21 GLN A 515 15.624 -3.775 -6.349 1.00 0.00 H new ATOM 0 HE22 GLN A 515 17.276 -4.312 -6.024 1.00 0.00 H new ATOM 1097 N ASP A 516 11.799 -5.344 -2.518 1.00 0.00 N ATOM 1098 CA ASP A 516 11.236 -5.508 -1.183 1.00 0.00 C ATOM 1099 C ASP A 516 9.714 -5.419 -1.220 1.00 0.00 C ATOM 1100 O ASP A 516 9.021 -6.180 -0.545 1.00 0.00 O ATOM 1101 CB ASP A 516 11.798 -4.448 -0.235 1.00 0.00 C ATOM 1102 CG ASP A 516 11.841 -4.921 1.204 1.00 0.00 C ATOM 1103 OD1 ASP A 516 10.771 -4.958 1.848 1.00 0.00 O ATOM 1104 OD2 ASP A 516 12.943 -5.254 1.688 1.00 0.00 O ATOM 0 H ASP A 516 12.477 -4.586 -2.600 1.00 0.00 H new ATOM 0 HA ASP A 516 11.515 -6.496 -0.817 1.00 0.00 H new ATOM 0 HB2 ASP A 516 12.804 -4.176 -0.555 1.00 0.00 H new ATOM 0 HB3 ASP A 516 11.188 -3.547 -0.300 1.00 0.00 H new ATOM 1109 N ALA A 517 9.200 -4.484 -2.013 1.00 0.00 N ATOM 1110 CA ALA A 517 7.760 -4.296 -2.139 1.00 0.00 C ATOM 1111 C ALA A 517 7.076 -5.583 -2.587 1.00 0.00 C ATOM 1112 O ALA A 517 6.073 -6.000 -2.008 1.00 0.00 O ATOM 1113 CB ALA A 517 7.458 -3.168 -3.114 1.00 0.00 C ATOM 0 H ALA A 517 9.760 -3.845 -2.578 1.00 0.00 H new ATOM 0 HA ALA A 517 7.366 -4.028 -1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 517 6.379 -3.039 -3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 517 7.907 -2.243 -2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 517 7.872 -3.412 -4.092 1.00 0.00 H new ATOM 1119 N LYS A 518 7.623 -6.208 -3.624 1.00 0.00 N ATOM 1120 CA LYS A 518 7.066 -7.449 -4.151 1.00 0.00 C ATOM 1121 C LYS A 518 7.073 -8.543 -3.088 1.00 0.00 C ATOM 1122 O LYS A 518 6.023 -9.066 -2.714 1.00 0.00 O ATOM 1123 CB LYS A 518 7.860 -7.908 -5.376 1.00 0.00 C ATOM 1124 CG LYS A 518 7.821 -6.922 -6.531 1.00 0.00 C ATOM 1125 CD LYS A 518 6.446 -6.872 -7.176 1.00 0.00 C ATOM 1126 CE LYS A 518 6.295 -5.654 -8.073 1.00 0.00 C ATOM 1127 NZ LYS A 518 6.727 -5.936 -9.470 1.00 0.00 N ATOM 0 H LYS A 518 8.452 -5.876 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 518 6.034 -7.259 -4.445 1.00 0.00 H new ATOM 0 HB2 LYS A 518 8.897 -8.073 -5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 518 7.467 -8.867 -5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 518 8.092 -5.929 -6.172 1.00 0.00 H new ATOM 0 HG3 LYS A 518 8.564 -7.205 -7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 518 6.284 -7.778 -7.760 1.00 0.00 H new ATOM 0 HD3 LYS A 518 5.680 -6.851 -6.401 1.00 0.00 H new ATOM 0 HE2 LYS A 518 5.254 -5.330 -8.073 1.00 0.00 H new ATOM 0 HE3 LYS A 518 6.885 -4.831 -7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 6.608 -5.081 -10.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 7.727 -6.221 -9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 6.147 -6.704 -9.864 1.00 0.00 H new ATOM 1141 N LYS A 519 8.263 -8.885 -2.605 1.00 0.00 N ATOM 1142 CA LYS A 519 8.407 -9.915 -1.583 1.00 0.00 C ATOM 1143 C LYS A 519 7.294 -9.811 -0.546 1.00 0.00 C ATOM 1144 O LYS A 519 6.487 -10.728 -0.393 1.00 0.00 O ATOM 1145 CB LYS A 519 9.770 -9.796 -0.898 1.00 0.00 C ATOM 1146 CG LYS A 519 10.944 -9.968 -1.846 1.00 0.00 C ATOM 1147 CD LYS A 519 12.244 -10.188 -1.090 1.00 0.00 C ATOM 1148 CE LYS A 519 12.663 -8.940 -0.328 1.00 0.00 C ATOM 1149 NZ LYS A 519 13.437 -8.001 -1.186 1.00 0.00 N ATOM 0 H LYS A 519 9.142 -8.464 -2.905 1.00 0.00 H new ATOM 0 HA LYS A 519 8.336 -10.888 -2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 519 9.842 -8.820 -0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 519 9.838 -10.545 -0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 519 10.758 -10.815 -2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 519 11.035 -9.085 -2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 519 12.125 -11.018 -0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 519 13.030 -10.469 -1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 519 11.777 -8.435 0.056 1.00 0.00 H new ATOM 0 HE3 LYS A 519 13.266 -9.226 0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 13.573 -7.102 -0.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 14.364 -8.417 -1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 12.916 -7.827 -2.069 1.00 0.00 H new ATOM 1163 N ALA A 520 7.256 -8.689 0.165 1.00 0.00 N ATOM 1164 CA ALA A 520 6.239 -8.465 1.185 1.00 0.00 C ATOM 1165 C ALA A 520 4.838 -8.514 0.585 1.00 0.00 C ATOM 1166 O ALA A 520 3.939 -9.152 1.134 1.00 0.00 O ATOM 1167 CB ALA A 520 6.472 -7.130 1.878 1.00 0.00 C ATOM 0 H ALA A 520 7.918 -7.921 0.053 1.00 0.00 H new ATOM 0 HA ALA A 520 6.318 -9.264 1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 520 5.705 -6.975 2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.455 -7.131 2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 520 6.423 -6.326 1.144 1.00 0.00 H new ATOM 1173 N PHE A 521 4.659 -7.837 -0.544 1.00 0.00 N ATOM 1174 CA PHE A 521 3.366 -7.803 -1.218 1.00 0.00 C ATOM 1175 C PHE A 521 2.787 -9.208 -1.356 1.00 0.00 C ATOM 1176 O PHE A 521 1.671 -9.476 -0.914 1.00 0.00 O ATOM 1177 CB PHE A 521 3.504 -7.158 -2.599 1.00 0.00 C ATOM 1178 CG PHE A 521 2.273 -7.294 -3.449 1.00 0.00 C ATOM 1179 CD1 PHE A 521 1.151 -6.522 -3.194 1.00 0.00 C ATOM 1180 CD2 PHE A 521 2.239 -8.193 -4.503 1.00 0.00 C ATOM 1181 CE1 PHE A 521 0.017 -6.644 -3.975 1.00 0.00 C ATOM 1182 CE2 PHE A 521 1.107 -8.318 -5.287 1.00 0.00 C ATOM 1183 CZ PHE A 521 -0.005 -7.544 -5.022 1.00 0.00 C ATOM 0 H PHE A 521 5.393 -7.305 -1.012 1.00 0.00 H new ATOM 0 HA PHE A 521 2.684 -7.206 -0.612 1.00 0.00 H new ATOM 0 HB2 PHE A 521 3.736 -6.100 -2.476 1.00 0.00 H new ATOM 0 HB3 PHE A 521 4.348 -7.611 -3.120 1.00 0.00 H new ATOM 0 HD1 PHE A 521 1.163 -5.817 -2.376 1.00 0.00 H new ATOM 0 HD2 PHE A 521 3.105 -8.802 -4.714 1.00 0.00 H new ATOM 0 HE1 PHE A 521 -0.851 -6.036 -3.767 1.00 0.00 H new ATOM 0 HE2 PHE A 521 1.093 -9.021 -6.107 1.00 0.00 H new ATOM 0 HZ PHE A 521 -0.890 -7.642 -5.632 1.00 0.00 H new ATOM 1193 N ASN A 522 3.555 -10.100 -1.972 1.00 0.00 N ATOM 1194 CA ASN A 522 3.119 -11.478 -2.169 1.00 0.00 C ATOM 1195 C ASN A 522 3.073 -12.229 -0.842 1.00 0.00 C ATOM 1196 O ASN A 522 2.071 -12.862 -0.510 1.00 0.00 O ATOM 1197 CB ASN A 522 4.055 -12.197 -3.143 1.00 0.00 C ATOM 1198 CG ASN A 522 3.355 -13.303 -3.908 1.00 0.00 C ATOM 1199 OD1 ASN A 522 2.827 -14.245 -3.315 1.00 0.00 O ATOM 1200 ND2 ASN A 522 3.347 -13.194 -5.231 1.00 0.00 N ATOM 0 H ASN A 522 4.482 -9.894 -2.343 1.00 0.00 H new ATOM 0 HA ASN A 522 2.114 -11.458 -2.590 1.00 0.00 H new ATOM 0 HB2 ASN A 522 4.465 -11.474 -3.849 1.00 0.00 H new ATOM 0 HB3 ASN A 522 4.896 -12.617 -2.591 1.00 0.00 H new ATOM 0 HD21 ASN A 522 2.891 -13.908 -5.799 1.00 0.00 H new ATOM 0 HD22 ASN A 522 3.797 -12.396 -5.680 1.00 0.00 H new ATOM 1207 N ALA A 523 4.164 -12.153 -0.087 1.00 0.00 N ATOM 1208 CA ALA A 523 4.247 -12.823 1.205 1.00 0.00 C ATOM 1209 C ALA A 523 2.981 -12.597 2.023 1.00 0.00 C ATOM 1210 O ALA A 523 2.324 -13.549 2.446 1.00 0.00 O ATOM 1211 CB ALA A 523 5.468 -12.339 1.973 1.00 0.00 C ATOM 0 H ALA A 523 5.003 -11.634 -0.348 1.00 0.00 H new ATOM 0 HA ALA A 523 4.345 -13.894 1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 523 5.517 -12.848 2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 523 6.369 -12.559 1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 523 5.394 -11.264 2.134 1.00 0.00 H new ATOM 1217 N LEU A 524 2.643 -11.331 2.244 1.00 0.00 N ATOM 1218 CA LEU A 524 1.455 -10.979 3.013 1.00 0.00 C ATOM 1219 C LEU A 524 0.187 -11.239 2.206 1.00 0.00 C ATOM 1220 O LEU A 524 -0.755 -11.864 2.695 1.00 0.00 O ATOM 1221 CB LEU A 524 1.512 -9.510 3.435 1.00 0.00 C ATOM 1222 CG LEU A 524 2.658 -9.124 4.371 1.00 0.00 C ATOM 1223 CD1 LEU A 524 2.584 -7.647 4.725 1.00 0.00 C ATOM 1224 CD2 LEU A 524 2.629 -9.979 5.630 1.00 0.00 C ATOM 0 H LEU A 524 3.175 -10.531 1.901 1.00 0.00 H new ATOM 0 HA LEU A 524 1.431 -11.606 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 524 1.582 -8.897 2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 524 0.571 -9.256 3.922 1.00 0.00 H new ATOM 0 HG LEU A 524 3.601 -9.305 3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 524 3.407 -7.391 5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 524 2.655 -7.051 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 524 1.637 -7.439 5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 524 3.451 -9.691 6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 524 1.682 -9.830 6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 524 2.732 -11.030 5.359 1.00 0.00 H new ATOM 1236 N CYS A 525 0.171 -10.757 0.968 1.00 0.00 N ATOM 1237 CA CYS A 525 -0.981 -10.939 0.092 1.00 0.00 C ATOM 1238 C CYS A 525 -1.596 -12.321 0.282 1.00 0.00 C ATOM 1239 O CYS A 525 -2.809 -12.455 0.448 1.00 0.00 O ATOM 1240 CB CYS A 525 -0.572 -10.746 -1.369 1.00 0.00 C ATOM 1241 SG CYS A 525 -1.777 -11.373 -2.562 1.00 0.00 S ATOM 0 H CYS A 525 0.942 -10.238 0.549 1.00 0.00 H new ATOM 0 HA CYS A 525 -1.728 -10.190 0.355 1.00 0.00 H new ATOM 0 HB2 CYS A 525 -0.413 -9.683 -1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 525 0.383 -11.245 -1.537 1.00 0.00 H new ATOM 0 HG CYS A 525 -1.343 -11.162 -3.769 1.00 0.00 H new ATOM 1247 N HIS A 526 -0.752 -13.348 0.255 1.00 0.00 N ATOM 1248 CA HIS A 526 -1.213 -14.722 0.424 1.00 0.00 C ATOM 1249 C HIS A 526 -2.364 -14.790 1.424 1.00 0.00 C ATOM 1250 O HIS A 526 -3.477 -15.186 1.078 1.00 0.00 O ATOM 1251 CB HIS A 526 -0.063 -15.614 0.890 1.00 0.00 C ATOM 1252 CG HIS A 526 -0.470 -17.034 1.138 1.00 0.00 C ATOM 1253 ND1 HIS A 526 -0.308 -17.662 2.355 1.00 0.00 N ATOM 1254 CD2 HIS A 526 -1.036 -17.949 0.316 1.00 0.00 C ATOM 1255 CE1 HIS A 526 -0.756 -18.902 2.271 1.00 0.00 C ATOM 1256 NE2 HIS A 526 -1.203 -19.102 1.044 1.00 0.00 N ATOM 0 H HIS A 526 0.254 -13.255 0.118 1.00 0.00 H new ATOM 0 HA HIS A 526 -1.572 -15.080 -0.541 1.00 0.00 H new ATOM 0 HB2 HIS A 526 0.727 -15.597 0.139 1.00 0.00 H new ATOM 0 HB3 HIS A 526 0.359 -15.200 1.806 1.00 0.00 H new ATOM 0 HD2 HIS A 526 -1.306 -17.800 -0.719 1.00 0.00 H new ATOM 0 HE1 HIS A 526 -0.757 -19.629 3.070 1.00 0.00 H new ATOM 0 HE2 HIS A 526 -1.606 -19.971 0.694 1.00 0.00 H new ATOM 1264 N SER A 527 -2.087 -14.401 2.664 1.00 0.00 N ATOM 1265 CA SER A 527 -3.097 -14.423 3.716 1.00 0.00 C ATOM 1266 C SER A 527 -2.619 -13.655 4.944 1.00 0.00 C ATOM 1267 O SER A 527 -1.636 -14.032 5.583 1.00 0.00 O ATOM 1268 CB SER A 527 -3.433 -15.865 4.100 1.00 0.00 C ATOM 1269 OG SER A 527 -4.493 -16.371 3.306 1.00 0.00 O ATOM 0 H SER A 527 -1.172 -14.067 2.965 1.00 0.00 H new ATOM 0 HA SER A 527 -3.995 -13.938 3.333 1.00 0.00 H new ATOM 0 HB2 SER A 527 -2.550 -16.493 3.976 1.00 0.00 H new ATOM 0 HB3 SER A 527 -3.710 -15.909 5.153 1.00 0.00 H new ATOM 0 HG SER A 527 -4.377 -16.076 2.379 1.00 0.00 H new ATOM 1275 N THR A 528 -3.323 -12.575 5.270 1.00 0.00 N ATOM 1276 CA THR A 528 -2.971 -11.753 6.421 1.00 0.00 C ATOM 1277 C THR A 528 -4.163 -11.573 7.354 1.00 0.00 C ATOM 1278 O THR A 528 -5.091 -10.821 7.054 1.00 0.00 O ATOM 1279 CB THR A 528 -2.461 -10.366 5.986 1.00 0.00 C ATOM 1280 OG1 THR A 528 -1.658 -10.488 4.806 1.00 0.00 O ATOM 1281 CG2 THR A 528 -1.647 -9.716 7.095 1.00 0.00 C ATOM 0 H THR A 528 -4.140 -12.250 4.753 1.00 0.00 H new ATOM 0 HA THR A 528 -2.174 -12.276 6.950 1.00 0.00 H new ATOM 0 HB THR A 528 -3.324 -9.735 5.774 1.00 0.00 H new ATOM 0 HG1 THR A 528 -1.604 -9.619 4.356 1.00 0.00 H new ATOM 0 HG21 THR A 528 -1.298 -8.738 6.764 1.00 0.00 H new ATOM 0 HG22 THR A 528 -2.269 -9.598 7.982 1.00 0.00 H new ATOM 0 HG23 THR A 528 -0.790 -10.346 7.334 1.00 0.00 H new ATOM 1289 N HIS A 529 -4.133 -12.269 8.486 1.00 0.00 N ATOM 1290 CA HIS A 529 -5.212 -12.184 9.464 1.00 0.00 C ATOM 1291 C HIS A 529 -4.861 -11.203 10.578 1.00 0.00 C ATOM 1292 O HIS A 529 -3.891 -11.401 11.311 1.00 0.00 O ATOM 1293 CB HIS A 529 -5.500 -13.564 10.057 1.00 0.00 C ATOM 1294 CG HIS A 529 -5.661 -14.638 9.025 1.00 0.00 C ATOM 1295 ND1 HIS A 529 -6.253 -14.420 7.799 1.00 0.00 N ATOM 1296 CD2 HIS A 529 -5.302 -15.943 9.041 1.00 0.00 C ATOM 1297 CE1 HIS A 529 -6.252 -15.545 7.106 1.00 0.00 C ATOM 1298 NE2 HIS A 529 -5.680 -16.484 7.838 1.00 0.00 N ATOM 0 H HIS A 529 -3.374 -12.898 8.749 1.00 0.00 H new ATOM 0 HA HIS A 529 -6.104 -11.822 8.953 1.00 0.00 H new ATOM 0 HB2 HIS A 529 -4.688 -13.838 10.731 1.00 0.00 H new ATOM 0 HB3 HIS A 529 -6.408 -13.510 10.658 1.00 0.00 H new ATOM 0 HD2 HIS A 529 -4.810 -16.462 9.850 1.00 0.00 H new ATOM 0 HE1 HIS A 529 -6.651 -15.675 6.111 1.00 0.00 H new ATOM 0 HE2 HIS A 529 -5.542 -17.454 7.555 1.00 0.00 H new ATOM 1306 N LEU A 530 -5.654 -10.144 10.698 1.00 0.00 N ATOM 1307 CA LEU A 530 -5.426 -9.130 11.722 1.00 0.00 C ATOM 1308 C LEU A 530 -6.710 -8.835 12.491 1.00 0.00 C ATOM 1309 O LEU A 530 -7.679 -8.323 11.930 1.00 0.00 O ATOM 1310 CB LEU A 530 -4.893 -7.845 11.086 1.00 0.00 C ATOM 1311 CG LEU A 530 -4.202 -6.864 12.033 1.00 0.00 C ATOM 1312 CD1 LEU A 530 -2.923 -7.470 12.589 1.00 0.00 C ATOM 1313 CD2 LEU A 530 -3.906 -5.552 11.320 1.00 0.00 C ATOM 0 H LEU A 530 -6.460 -9.965 10.099 1.00 0.00 H new ATOM 0 HA LEU A 530 -4.685 -9.516 12.422 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -4.189 -8.117 10.300 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -5.724 -7.330 10.605 1.00 0.00 H new ATOM 0 HG LEU A 530 -4.875 -6.658 12.866 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -2.445 -6.757 13.261 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -3.161 -8.382 13.137 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -2.245 -7.706 11.768 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -3.414 -4.866 12.010 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -3.253 -5.740 10.468 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -4.839 -5.109 10.971 1.00 0.00 H new ATOM 1325 N TYR A 531 -6.709 -9.161 13.779 1.00 0.00 N ATOM 1326 CA TYR A 531 -7.874 -8.932 14.626 1.00 0.00 C ATOM 1327 C TYR A 531 -9.077 -9.724 14.124 1.00 0.00 C ATOM 1328 O TYR A 531 -10.220 -9.286 14.249 1.00 0.00 O ATOM 1329 CB TYR A 531 -8.214 -7.441 14.669 1.00 0.00 C ATOM 1330 CG TYR A 531 -7.087 -6.578 15.192 1.00 0.00 C ATOM 1331 CD1 TYR A 531 -6.641 -6.702 16.502 1.00 0.00 C ATOM 1332 CD2 TYR A 531 -6.469 -5.639 14.375 1.00 0.00 C ATOM 1333 CE1 TYR A 531 -5.613 -5.915 16.984 1.00 0.00 C ATOM 1334 CE2 TYR A 531 -5.439 -4.849 14.848 1.00 0.00 C ATOM 1335 CZ TYR A 531 -5.015 -4.991 16.153 1.00 0.00 C ATOM 1336 OH TYR A 531 -3.989 -4.206 16.629 1.00 0.00 O ATOM 0 H TYR A 531 -5.915 -9.584 14.259 1.00 0.00 H new ATOM 0 HA TYR A 531 -7.632 -9.273 15.633 1.00 0.00 H new ATOM 0 HB2 TYR A 531 -8.480 -7.108 13.666 1.00 0.00 H new ATOM 0 HB3 TYR A 531 -9.093 -7.295 15.296 1.00 0.00 H new ATOM 0 HD1 TYR A 531 -7.106 -7.426 17.155 1.00 0.00 H new ATOM 0 HD2 TYR A 531 -6.799 -5.525 13.353 1.00 0.00 H new ATOM 0 HE1 TYR A 531 -5.280 -6.023 18.006 1.00 0.00 H new ATOM 0 HE2 TYR A 531 -4.969 -4.124 14.200 1.00 0.00 H new ATOM 0 HH TYR A 531 -3.498 -4.694 17.322 1.00 0.00 H new ATOM 1346 N GLY A 532 -8.810 -10.896 13.555 1.00 0.00 N ATOM 1347 CA GLY A 532 -9.879 -11.733 13.043 1.00 0.00 C ATOM 1348 C GLY A 532 -10.431 -11.227 11.725 1.00 0.00 C ATOM 1349 O GLY A 532 -11.635 -11.303 11.478 1.00 0.00 O ATOM 0 H GLY A 532 -7.872 -11.280 13.440 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.509 -12.750 12.912 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.684 -11.779 13.777 1.00 0.00 H new ATOM 1353 N ARG A 533 -9.549 -10.708 10.877 1.00 0.00 N ATOM 1354 CA ARG A 533 -9.955 -10.185 9.578 1.00 0.00 C ATOM 1355 C ARG A 533 -8.884 -10.453 8.525 1.00 0.00 C ATOM 1356 O ARG A 533 -7.691 -10.286 8.782 1.00 0.00 O ATOM 1357 CB ARG A 533 -10.228 -8.683 9.672 1.00 0.00 C ATOM 1358 CG ARG A 533 -11.403 -8.333 10.572 1.00 0.00 C ATOM 1359 CD ARG A 533 -12.091 -7.055 10.117 1.00 0.00 C ATOM 1360 NE ARG A 533 -13.442 -6.938 10.660 1.00 0.00 N ATOM 1361 CZ ARG A 533 -14.500 -7.546 10.136 1.00 0.00 C ATOM 1362 NH1 ARG A 533 -14.365 -8.310 9.060 1.00 0.00 N ATOM 1363 NH2 ARG A 533 -15.697 -7.391 10.687 1.00 0.00 N ATOM 0 H ARG A 533 -8.549 -10.638 11.066 1.00 0.00 H new ATOM 0 HA ARG A 533 -10.870 -10.696 9.279 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -9.334 -8.182 10.044 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -10.418 -8.293 8.672 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -12.120 -9.154 10.572 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -11.054 -8.215 11.598 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -11.499 -6.194 10.428 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -12.135 -7.035 9.028 1.00 0.00 H new ATOM 0 HE ARG A 533 -13.580 -6.357 11.487 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -13.447 -8.432 8.633 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -15.179 -8.776 8.660 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -15.806 -6.804 11.514 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -16.509 -7.859 10.283 1.00 0.00 H new ATOM 1377 N ARG A 534 -9.317 -10.869 7.340 1.00 0.00 N ATOM 1378 CA ARG A 534 -8.396 -11.161 6.249 1.00 0.00 C ATOM 1379 C ARG A 534 -8.184 -9.931 5.371 1.00 0.00 C ATOM 1380 O ARG A 534 -9.057 -9.556 4.587 1.00 0.00 O ATOM 1381 CB ARG A 534 -8.926 -12.320 5.402 1.00 0.00 C ATOM 1382 CG ARG A 534 -7.831 -13.152 4.754 1.00 0.00 C ATOM 1383 CD ARG A 534 -7.031 -12.335 3.751 1.00 0.00 C ATOM 1384 NE ARG A 534 -7.871 -11.809 2.679 1.00 0.00 N ATOM 1385 CZ ARG A 534 -8.255 -12.525 1.628 1.00 0.00 C ATOM 1386 NH1 ARG A 534 -7.876 -13.790 1.509 1.00 0.00 N ATOM 1387 NH2 ARG A 534 -9.020 -11.976 0.693 1.00 0.00 N ATOM 0 H ARG A 534 -10.301 -11.011 7.111 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.437 -11.445 6.683 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -9.539 -12.967 6.030 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -9.577 -11.922 4.624 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -7.164 -13.540 5.524 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -8.274 -14.012 4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -6.541 -11.509 4.266 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -6.244 -12.956 3.323 1.00 0.00 H new ATOM 0 HE ARG A 534 -8.180 -10.839 2.740 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -7.288 -14.216 2.226 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -8.172 -14.337 0.701 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -9.314 -11.003 0.781 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -9.314 -12.527 -0.114 1.00 0.00 H new ATOM 1401 N LEU A 535 -7.020 -9.306 5.509 1.00 0.00 N ATOM 1402 CA LEU A 535 -6.692 -8.118 4.729 1.00 0.00 C ATOM 1403 C LEU A 535 -6.500 -8.467 3.257 1.00 0.00 C ATOM 1404 O LEU A 535 -6.288 -9.628 2.907 1.00 0.00 O ATOM 1405 CB LEU A 535 -5.426 -7.457 5.277 1.00 0.00 C ATOM 1406 CG LEU A 535 -5.484 -7.004 6.737 1.00 0.00 C ATOM 1407 CD1 LEU A 535 -4.101 -6.602 7.225 1.00 0.00 C ATOM 1408 CD2 LEU A 535 -6.465 -5.852 6.900 1.00 0.00 C ATOM 0 H LEU A 535 -6.287 -9.602 6.154 1.00 0.00 H new ATOM 0 HA LEU A 535 -7.525 -7.419 4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 535 -4.598 -8.157 5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 535 -5.195 -6.590 4.657 1.00 0.00 H new ATOM 0 HG LEU A 535 -5.833 -7.840 7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 535 -4.161 -6.282 8.265 1.00 0.00 H new ATOM 0 HD12 LEU A 535 -3.425 -7.454 7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 535 -3.724 -5.781 6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 535 -6.493 -5.543 7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 535 -6.146 -5.013 6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 535 -7.459 -6.174 6.590 1.00 0.00 H new ATOM 1420 N VAL A 536 -6.574 -7.455 2.399 1.00 0.00 N ATOM 1421 CA VAL A 536 -6.405 -7.655 0.965 1.00 0.00 C ATOM 1422 C VAL A 536 -5.355 -6.706 0.398 1.00 0.00 C ATOM 1423 O VAL A 536 -5.574 -5.497 0.316 1.00 0.00 O ATOM 1424 CB VAL A 536 -7.731 -7.446 0.209 1.00 0.00 C ATOM 1425 CG1 VAL A 536 -7.490 -7.409 -1.293 1.00 0.00 C ATOM 1426 CG2 VAL A 536 -8.728 -8.537 0.571 1.00 0.00 C ATOM 0 H VAL A 536 -6.750 -6.488 2.672 1.00 0.00 H new ATOM 0 HA VAL A 536 -6.074 -8.684 0.826 1.00 0.00 H new ATOM 0 HB VAL A 536 -8.152 -6.486 0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 536 -8.438 -7.261 -1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 536 -6.814 -6.589 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -7.045 -8.351 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -9.659 -8.374 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -8.317 -9.510 0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -8.924 -8.510 1.643 1.00 0.00 H new ATOM 1436 N LEU A 537 -4.214 -7.262 0.006 1.00 0.00 N ATOM 1437 CA LEU A 537 -3.127 -6.466 -0.555 1.00 0.00 C ATOM 1438 C LEU A 537 -3.230 -6.399 -2.075 1.00 0.00 C ATOM 1439 O LEU A 537 -3.194 -7.424 -2.754 1.00 0.00 O ATOM 1440 CB LEU A 537 -1.775 -7.055 -0.149 1.00 0.00 C ATOM 1441 CG LEU A 537 -1.269 -6.678 1.244 1.00 0.00 C ATOM 1442 CD1 LEU A 537 -1.760 -7.679 2.279 1.00 0.00 C ATOM 1443 CD2 LEU A 537 0.250 -6.598 1.256 1.00 0.00 C ATOM 0 H LEU A 537 -4.017 -8.261 0.066 1.00 0.00 H new ATOM 0 HA LEU A 537 -3.209 -5.454 -0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -1.842 -8.141 -0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -1.030 -6.742 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 537 -1.667 -5.696 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -1.390 -7.395 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -2.850 -7.687 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -1.392 -8.673 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 537 0.592 -6.329 2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 537 0.668 -7.566 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 537 0.580 -5.842 0.543 1.00 0.00 H new ATOM 1455 N GLU A 538 -3.357 -5.185 -2.601 1.00 0.00 N ATOM 1456 CA GLU A 538 -3.463 -4.985 -4.042 1.00 0.00 C ATOM 1457 C GLU A 538 -2.694 -3.741 -4.477 1.00 0.00 C ATOM 1458 O GLU A 538 -2.600 -2.765 -3.733 1.00 0.00 O ATOM 1459 CB GLU A 538 -4.931 -4.860 -4.455 1.00 0.00 C ATOM 1460 CG GLU A 538 -5.589 -6.192 -4.775 1.00 0.00 C ATOM 1461 CD GLU A 538 -7.056 -6.048 -5.129 1.00 0.00 C ATOM 1462 OE1 GLU A 538 -7.355 -5.644 -6.272 1.00 0.00 O ATOM 1463 OE2 GLU A 538 -7.906 -6.340 -4.262 1.00 0.00 O ATOM 0 H GLU A 538 -3.389 -4.326 -2.052 1.00 0.00 H new ATOM 0 HA GLU A 538 -3.026 -5.853 -4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 538 -5.485 -4.374 -3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 538 -5.000 -4.211 -5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 538 -5.063 -6.662 -5.606 1.00 0.00 H new ATOM 0 HG3 GLU A 538 -5.490 -6.857 -3.917 1.00 0.00 H new ATOM 1470 N TRP A 539 -2.145 -3.785 -5.685 1.00 0.00 N ATOM 1471 CA TRP A 539 -1.383 -2.662 -6.220 1.00 0.00 C ATOM 1472 C TRP A 539 -2.299 -1.484 -6.537 1.00 0.00 C ATOM 1473 O TRP A 539 -2.920 -1.438 -7.598 1.00 0.00 O ATOM 1474 CB TRP A 539 -0.624 -3.087 -7.478 1.00 0.00 C ATOM 1475 CG TRP A 539 0.285 -4.257 -7.256 1.00 0.00 C ATOM 1476 CD1 TRP A 539 0.029 -5.564 -7.560 1.00 0.00 C ATOM 1477 CD2 TRP A 539 1.596 -4.227 -6.681 1.00 0.00 C ATOM 1478 NE1 TRP A 539 1.101 -6.348 -7.208 1.00 0.00 N ATOM 1479 CE2 TRP A 539 2.076 -5.551 -6.668 1.00 0.00 C ATOM 1480 CE3 TRP A 539 2.412 -3.210 -6.178 1.00 0.00 C ATOM 1481 CZ2 TRP A 539 3.333 -5.882 -6.170 1.00 0.00 C ATOM 1482 CZ3 TRP A 539 3.660 -3.540 -5.684 1.00 0.00 C ATOM 1483 CH2 TRP A 539 4.111 -4.867 -5.684 1.00 0.00 C ATOM 0 H TRP A 539 -2.213 -4.586 -6.313 1.00 0.00 H new ATOM 0 HA TRP A 539 -0.667 -2.347 -5.461 1.00 0.00 H new ATOM 0 HB2 TRP A 539 -1.342 -3.337 -8.260 1.00 0.00 H new ATOM 0 HB3 TRP A 539 -0.037 -2.244 -7.842 1.00 0.00 H new ATOM 0 HD1 TRP A 539 -0.882 -5.928 -8.011 1.00 0.00 H new ATOM 0 HE1 TRP A 539 1.161 -7.359 -7.329 1.00 0.00 H new ATOM 0 HE3 TRP A 539 2.073 -2.184 -6.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 539 3.682 -6.904 -6.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 539 4.298 -2.762 -5.291 1.00 0.00 H new ATOM 0 HH2 TRP A 539 5.092 -5.093 -5.293 1.00 0.00 H new