USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 566 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 603 LYS NZ :NH3+ -172:sc= 0.705 (180deg=0.295) USER MOD Single : A 612 LYS NZ :NH3+ 178:sc= 1.12 (180deg=1.08) USER MOD Single : A 614 TYR OH : rot 100:sc= 0 USER MOD Single : A 618 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 THR OG1 : rot -151:sc= 1.09 USER MOD Single : A 625 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 629 THR OG1 : rot 180:sc= 0 USER MOD Single : A 631 MET CE :methyl -157:sc= -0.421 (180deg=-1.59) USER MOD Single : A 632 MET CE :methyl 160:sc= -0.349 (180deg=-1.03) USER MOD Single : A 635 TYR OH : rot 180:sc= 0 USER MOD Single : A 636 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.58) USER MOD Single : A 638 SER OG : rot 180:sc= 0.019 USER MOD Single : A 641 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 650 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.14) USER MOD Single : A 652 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 664 LYS NZ :NH3+ -167:sc= 1.92 (180deg=1.68) USER MOD ----------------------------------------------------------------- ATOM 324 N ARG A 601 -4.306 -3.321 2.891 1.00 0.00 N ATOM 325 CA ARG A 601 -2.940 -2.984 2.573 1.00 0.00 C ATOM 326 C ARG A 601 -2.068 -3.560 3.670 1.00 0.00 C ATOM 327 O ARG A 601 -2.485 -3.609 4.826 1.00 0.00 O ATOM 328 CB ARG A 601 -2.820 -1.456 2.539 1.00 0.00 C ATOM 329 CG ARG A 601 -3.348 -0.900 1.217 1.00 0.00 C ATOM 330 CD ARG A 601 -2.297 -1.157 0.135 1.00 0.00 C ATOM 331 NE ARG A 601 -2.684 -0.631 -1.183 1.00 0.00 N ATOM 332 CZ ARG A 601 -2.133 -1.054 -2.329 1.00 0.00 C ATOM 333 NH1 ARG A 601 -1.069 -1.848 -2.321 1.00 0.00 N ATOM 334 NH2 ARG A 601 -2.627 -0.721 -3.517 1.00 0.00 N ATOM 0 HA ARG A 601 -2.633 -3.385 1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 601 -3.379 -1.024 3.369 1.00 0.00 H new ATOM 0 HB3 ARG A 601 -1.778 -1.165 2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 601 -4.291 -1.379 0.953 1.00 0.00 H new ATOM 0 HG3 ARG A 601 -3.548 0.168 1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 601 -1.354 -0.702 0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 601 -2.122 -2.230 0.054 1.00 0.00 H new ATOM 0 HE ARG A 601 -3.405 0.089 -1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 601 -0.660 -2.144 -1.435 1.00 0.00 H new ATOM 0 HH12 ARG A 601 -0.660 -2.162 -3.201 1.00 0.00 H new ATOM 0 HH21 ARG A 601 -3.452 -0.125 -3.577 1.00 0.00 H new ATOM 0 HH22 ARG A 601 -2.181 -1.062 -4.369 1.00 0.00 H new ATOM 348 N ASP A 602 -0.867 -3.992 3.296 1.00 0.00 N ATOM 349 CA ASP A 602 0.085 -4.614 4.192 1.00 0.00 C ATOM 350 C ASP A 602 1.449 -4.593 3.533 1.00 0.00 C ATOM 351 O ASP A 602 1.514 -4.602 2.311 1.00 0.00 O ATOM 352 CB ASP A 602 -0.290 -6.085 4.406 1.00 0.00 C ATOM 353 CG ASP A 602 0.518 -6.658 5.572 1.00 0.00 C ATOM 354 OD1 ASP A 602 0.217 -6.397 6.754 1.00 0.00 O ATOM 355 OD2 ASP A 602 1.601 -7.218 5.291 1.00 0.00 O ATOM 0 H ASP A 602 -0.527 -3.914 2.337 1.00 0.00 H new ATOM 0 HA ASP A 602 0.087 -4.078 5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 602 -1.357 -6.172 4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 602 -0.093 -6.656 3.499 1.00 0.00 H new ATOM 360 N LYS A 603 2.520 -4.713 4.312 1.00 0.00 N ATOM 361 CA LYS A 603 3.863 -5.039 3.846 1.00 0.00 C ATOM 362 C LYS A 603 3.842 -6.150 2.782 1.00 0.00 C ATOM 363 O LYS A 603 4.441 -5.985 1.724 1.00 0.00 O ATOM 364 CB LYS A 603 4.691 -5.496 5.063 1.00 0.00 C ATOM 365 CG LYS A 603 4.727 -4.563 6.289 1.00 0.00 C ATOM 366 CD LYS A 603 4.722 -5.328 7.630 1.00 0.00 C ATOM 367 CE LYS A 603 3.310 -5.645 8.158 1.00 0.00 C ATOM 368 NZ LYS A 603 2.722 -6.906 7.653 1.00 0.00 N ATOM 0 H LYS A 603 2.474 -4.581 5.322 1.00 0.00 H new ATOM 0 HA LYS A 603 4.304 -4.156 3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 603 4.307 -6.463 5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 603 5.717 -5.655 4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 603 5.619 -3.938 6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 603 3.867 -3.894 6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 603 5.272 -6.261 7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 603 5.255 -4.739 8.376 1.00 0.00 H new ATOM 0 HE2 LYS A 603 3.347 -5.689 9.246 1.00 0.00 H new ATOM 0 HE3 LYS A 603 2.647 -4.821 7.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 1.728 -6.969 7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 2.774 -6.922 6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 3.251 -7.714 8.039 1.00 0.00 H new ATOM 382 N PHE A 604 3.122 -7.252 3.032 1.00 0.00 N ATOM 383 CA PHE A 604 2.943 -8.372 2.112 1.00 0.00 C ATOM 384 C PHE A 604 2.374 -7.903 0.776 1.00 0.00 C ATOM 385 O PHE A 604 2.869 -8.287 -0.279 1.00 0.00 O ATOM 386 CB PHE A 604 1.987 -9.406 2.739 1.00 0.00 C ATOM 387 CG PHE A 604 2.401 -9.994 4.080 1.00 0.00 C ATOM 388 CD1 PHE A 604 3.753 -10.256 4.375 1.00 0.00 C ATOM 389 CD2 PHE A 604 1.419 -10.260 5.057 1.00 0.00 C ATOM 390 CE1 PHE A 604 4.119 -10.729 5.645 1.00 0.00 C ATOM 391 CE2 PHE A 604 1.787 -10.749 6.323 1.00 0.00 C ATOM 392 CZ PHE A 604 3.140 -10.976 6.621 1.00 0.00 C ATOM 0 H PHE A 604 2.631 -7.388 3.916 1.00 0.00 H new ATOM 0 HA PHE A 604 3.918 -8.824 1.931 1.00 0.00 H new ATOM 0 HB2 PHE A 604 1.010 -8.937 2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 604 1.862 -10.226 2.032 1.00 0.00 H new ATOM 0 HD1 PHE A 604 4.510 -10.093 3.622 1.00 0.00 H new ATOM 0 HD2 PHE A 604 0.377 -10.087 4.831 1.00 0.00 H new ATOM 0 HE1 PHE A 604 5.160 -10.904 5.873 1.00 0.00 H new ATOM 0 HE2 PHE A 604 1.029 -10.950 7.066 1.00 0.00 H new ATOM 0 HZ PHE A 604 3.427 -11.339 7.597 1.00 0.00 H new ATOM 402 N ARG A 605 1.326 -7.075 0.820 1.00 0.00 N ATOM 403 CA ARG A 605 0.671 -6.516 -0.355 1.00 0.00 C ATOM 404 C ARG A 605 1.603 -5.536 -1.064 1.00 0.00 C ATOM 405 O ARG A 605 1.754 -5.620 -2.277 1.00 0.00 O ATOM 406 CB ARG A 605 -0.645 -5.839 0.072 1.00 0.00 C ATOM 407 CG ARG A 605 -1.837 -6.801 0.118 1.00 0.00 C ATOM 408 CD ARG A 605 -1.967 -7.395 1.529 1.00 0.00 C ATOM 409 NE ARG A 605 -3.131 -8.269 1.708 1.00 0.00 N ATOM 410 CZ ARG A 605 -3.300 -9.536 1.319 1.00 0.00 C ATOM 411 NH1 ARG A 605 -2.454 -10.129 0.476 1.00 0.00 N ATOM 412 NH2 ARG A 605 -4.342 -10.193 1.816 1.00 0.00 N ATOM 0 H ARG A 605 0.903 -6.771 1.697 1.00 0.00 H new ATOM 0 HA ARG A 605 0.436 -7.312 -1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -0.511 -5.390 1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -0.869 -5.028 -0.620 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.753 -6.274 -0.151 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -1.702 -7.599 -0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -1.064 -7.960 1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -2.024 -6.580 2.250 1.00 0.00 H new ATOM 0 HE ARG A 605 -3.922 -7.851 2.198 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -1.653 -9.614 0.111 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -2.608 -11.098 0.196 1.00 0.00 H new ATOM 0 HH21 ARG A 605 -4.975 -9.728 2.467 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -4.510 -11.162 1.546 1.00 0.00 H new ATOM 426 N LEU A 606 2.234 -4.634 -0.310 1.00 0.00 N ATOM 427 CA LEU A 606 3.151 -3.617 -0.787 1.00 0.00 C ATOM 428 C LEU A 606 4.330 -4.274 -1.509 1.00 0.00 C ATOM 429 O LEU A 606 4.749 -3.770 -2.551 1.00 0.00 O ATOM 430 CB LEU A 606 3.579 -2.706 0.381 1.00 0.00 C ATOM 431 CG LEU A 606 2.455 -1.832 0.995 1.00 0.00 C ATOM 432 CD1 LEU A 606 2.998 -1.061 2.202 1.00 0.00 C ATOM 433 CD2 LEU A 606 1.856 -0.834 -0.004 1.00 0.00 C ATOM 0 H LEU A 606 2.107 -4.598 0.701 1.00 0.00 H new ATOM 0 HA LEU A 606 2.657 -2.976 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 606 4.001 -3.330 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 606 4.376 -2.049 0.033 1.00 0.00 H new ATOM 0 HG LEU A 606 1.659 -2.514 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 606 2.204 -0.449 2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 606 3.357 -1.766 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 606 3.820 -0.420 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 606 1.075 -0.253 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 606 2.638 -0.163 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 606 1.429 -1.376 -0.848 1.00 0.00 H new ATOM 445 N LEU A 607 4.804 -5.425 -1.005 1.00 0.00 N ATOM 446 CA LEU A 607 5.773 -6.263 -1.694 1.00 0.00 C ATOM 447 C LEU A 607 5.139 -6.921 -2.928 1.00 0.00 C ATOM 448 O LEU A 607 5.691 -6.816 -4.020 1.00 0.00 O ATOM 449 CB LEU A 607 6.427 -7.282 -0.728 1.00 0.00 C ATOM 450 CG LEU A 607 7.437 -8.212 -1.441 1.00 0.00 C ATOM 451 CD1 LEU A 607 8.865 -7.747 -1.159 1.00 0.00 C ATOM 452 CD2 LEU A 607 7.253 -9.671 -1.006 1.00 0.00 C ATOM 0 H LEU A 607 4.517 -5.795 -0.099 1.00 0.00 H new ATOM 0 HA LEU A 607 6.585 -5.632 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 607 6.936 -6.744 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 607 5.649 -7.886 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 607 7.250 -8.159 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 607 9.569 -8.407 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 607 8.995 -6.729 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 607 9.051 -7.773 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 607 7.977 -10.299 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 607 7.407 -9.752 0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 607 6.244 -10.000 -1.254 1.00 0.00 H new ATOM 464 N LEU A 608 4.004 -7.613 -2.785 1.00 0.00 N ATOM 465 CA LEU A 608 3.412 -8.420 -3.842 1.00 0.00 C ATOM 466 C LEU A 608 3.074 -7.584 -5.081 1.00 0.00 C ATOM 467 O LEU A 608 3.279 -8.049 -6.199 1.00 0.00 O ATOM 468 CB LEU A 608 2.182 -9.134 -3.260 1.00 0.00 C ATOM 469 CG LEU A 608 1.475 -10.070 -4.247 1.00 0.00 C ATOM 470 CD1 LEU A 608 2.364 -11.249 -4.665 1.00 0.00 C ATOM 471 CD2 LEU A 608 0.187 -10.609 -3.612 1.00 0.00 C ATOM 0 H LEU A 608 3.468 -7.624 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 608 4.130 -9.163 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 608 2.489 -9.710 -2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 608 1.470 -8.384 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 608 1.246 -9.490 -5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 608 1.821 -11.884 -5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 608 3.267 -10.872 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 608 2.636 -11.830 -3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 608 -0.314 -11.274 -4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 608 0.432 -11.159 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 608 -0.473 -9.777 -3.366 1.00 0.00 H new ATOM 483 N GLU A 609 2.613 -6.343 -4.896 1.00 0.00 N ATOM 484 CA GLU A 609 2.379 -5.384 -5.970 1.00 0.00 C ATOM 485 C GLU A 609 3.662 -5.154 -6.783 1.00 0.00 C ATOM 486 O GLU A 609 3.630 -5.196 -8.014 1.00 0.00 O ATOM 487 CB GLU A 609 1.893 -4.056 -5.375 1.00 0.00 C ATOM 488 CG GLU A 609 0.542 -4.102 -4.628 1.00 0.00 C ATOM 489 CD GLU A 609 -0.559 -3.388 -5.413 1.00 0.00 C ATOM 490 OE1 GLU A 609 -0.921 -3.888 -6.500 1.00 0.00 O ATOM 491 OE2 GLU A 609 -1.034 -2.342 -4.913 1.00 0.00 O ATOM 0 H GLU A 609 2.388 -5.973 -3.972 1.00 0.00 H new ATOM 0 HA GLU A 609 1.617 -5.786 -6.638 1.00 0.00 H new ATOM 0 HB2 GLU A 609 2.654 -3.689 -4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 609 1.815 -3.327 -6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 609 0.254 -5.140 -4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 609 0.651 -3.637 -3.648 1.00 0.00 H new ATOM 498 N LEU A 610 4.804 -4.960 -6.110 1.00 0.00 N ATOM 499 CA LEU A 610 6.076 -4.791 -6.801 1.00 0.00 C ATOM 500 C LEU A 610 6.454 -6.070 -7.536 1.00 0.00 C ATOM 501 O LEU A 610 6.981 -5.987 -8.642 1.00 0.00 O ATOM 502 CB LEU A 610 7.214 -4.468 -5.818 1.00 0.00 C ATOM 503 CG LEU A 610 7.145 -3.127 -5.076 1.00 0.00 C ATOM 504 CD1 LEU A 610 8.036 -3.198 -3.835 1.00 0.00 C ATOM 505 CD2 LEU A 610 7.673 -1.991 -5.936 1.00 0.00 C ATOM 0 H LEU A 610 4.867 -4.917 -5.093 1.00 0.00 H new ATOM 0 HA LEU A 610 5.948 -3.964 -7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 610 7.252 -5.263 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 610 8.154 -4.501 -6.368 1.00 0.00 H new ATOM 0 HG LEU A 610 6.102 -2.942 -4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 610 7.993 -2.249 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 610 7.687 -3.998 -3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 610 9.064 -3.399 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 610 7.610 -1.055 -5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 610 8.712 -2.187 -6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 610 7.076 -1.915 -6.845 1.00 0.00 H new ATOM 517 N ILE A 611 6.184 -7.252 -6.964 1.00 0.00 N ATOM 518 CA ILE A 611 6.509 -8.495 -7.658 1.00 0.00 C ATOM 519 C ILE A 611 5.770 -8.510 -8.997 1.00 0.00 C ATOM 520 O ILE A 611 6.387 -8.856 -9.995 1.00 0.00 O ATOM 521 CB ILE A 611 6.244 -9.768 -6.816 1.00 0.00 C ATOM 522 CG1 ILE A 611 7.054 -9.740 -5.507 1.00 0.00 C ATOM 523 CG2 ILE A 611 6.636 -11.040 -7.598 1.00 0.00 C ATOM 524 CD1 ILE A 611 6.765 -10.888 -4.546 1.00 0.00 C ATOM 0 H ILE A 611 5.753 -7.368 -6.047 1.00 0.00 H new ATOM 0 HA ILE A 611 7.584 -8.519 -7.834 1.00 0.00 H new ATOM 0 HB ILE A 611 5.177 -9.786 -6.592 1.00 0.00 H new ATOM 0 HG12 ILE A 611 8.116 -9.751 -5.754 1.00 0.00 H new ATOM 0 HG13 ILE A 611 6.856 -8.799 -4.995 1.00 0.00 H new ATOM 0 HG21 ILE A 611 6.440 -11.919 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 611 6.049 -11.099 -8.515 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.696 -11.001 -7.848 1.00 0.00 H new ATOM 0 HD11 ILE A 611 7.383 -10.781 -3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 611 5.713 -10.869 -4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.992 -11.836 -5.033 1.00 0.00 H new ATOM 536 N LYS A 612 4.510 -8.062 -9.077 1.00 0.00 N ATOM 537 CA LYS A 612 3.796 -8.167 -10.351 1.00 0.00 C ATOM 538 C LYS A 612 4.249 -7.084 -11.316 1.00 0.00 C ATOM 539 O LYS A 612 4.333 -7.343 -12.515 1.00 0.00 O ATOM 540 CB LYS A 612 2.277 -8.262 -10.249 1.00 0.00 C ATOM 541 CG LYS A 612 1.601 -7.399 -9.195 1.00 0.00 C ATOM 542 CD LYS A 612 0.106 -7.356 -9.501 1.00 0.00 C ATOM 543 CE LYS A 612 -0.530 -6.429 -8.485 1.00 0.00 C ATOM 544 NZ LYS A 612 -0.253 -5.006 -8.776 1.00 0.00 N ATOM 0 H LYS A 612 3.985 -7.642 -8.310 1.00 0.00 H new ATOM 0 HA LYS A 612 4.079 -9.138 -10.757 1.00 0.00 H new ATOM 0 HB2 LYS A 612 1.855 -8.003 -11.220 1.00 0.00 H new ATOM 0 HB3 LYS A 612 2.015 -9.302 -10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 612 1.774 -7.809 -8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 612 2.020 -6.393 -9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 612 -0.070 -6.995 -10.515 1.00 0.00 H new ATOM 0 HD3 LYS A 612 -0.329 -8.353 -9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 612 -1.608 -6.592 -8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 612 -0.158 -6.674 -7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 612 -0.735 -4.408 -8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 612 0.772 -4.835 -8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 612 -0.600 -4.772 -9.728 1.00 0.00 H new ATOM 558 N GLU A 613 4.574 -5.888 -10.809 1.00 0.00 N ATOM 559 CA GLU A 613 5.006 -4.800 -11.675 1.00 0.00 C ATOM 560 C GLU A 613 6.417 -5.016 -12.230 1.00 0.00 C ATOM 561 O GLU A 613 6.763 -4.402 -13.236 1.00 0.00 O ATOM 562 CB GLU A 613 4.811 -3.434 -10.985 1.00 0.00 C ATOM 563 CG GLU A 613 6.044 -2.964 -10.210 1.00 0.00 C ATOM 564 CD GLU A 613 5.862 -1.605 -9.525 1.00 0.00 C ATOM 565 OE1 GLU A 613 5.141 -1.504 -8.505 1.00 0.00 O ATOM 566 OE2 GLU A 613 6.511 -0.631 -9.962 1.00 0.00 O ATOM 0 H GLU A 613 4.545 -5.657 -9.816 1.00 0.00 H new ATOM 0 HA GLU A 613 4.362 -4.796 -12.554 1.00 0.00 H new ATOM 0 HB2 GLU A 613 4.558 -2.688 -11.738 1.00 0.00 H new ATOM 0 HB3 GLU A 613 3.964 -3.498 -10.302 1.00 0.00 H new ATOM 0 HG2 GLU A 613 6.294 -3.710 -9.456 1.00 0.00 H new ATOM 0 HG3 GLU A 613 6.891 -2.906 -10.894 1.00 0.00 H new ATOM 573 N TYR A 614 7.205 -5.906 -11.613 1.00 0.00 N ATOM 574 CA TYR A 614 8.591 -6.146 -11.982 1.00 0.00 C ATOM 575 C TYR A 614 8.792 -7.565 -12.500 1.00 0.00 C ATOM 576 O TYR A 614 9.829 -7.857 -13.093 1.00 0.00 O ATOM 577 CB TYR A 614 9.523 -5.830 -10.809 1.00 0.00 C ATOM 578 CG TYR A 614 9.769 -4.348 -10.603 1.00 0.00 C ATOM 579 CD1 TYR A 614 10.444 -3.606 -11.595 1.00 0.00 C ATOM 580 CD2 TYR A 614 9.323 -3.706 -9.434 1.00 0.00 C ATOM 581 CE1 TYR A 614 10.665 -2.227 -11.427 1.00 0.00 C ATOM 582 CE2 TYR A 614 9.529 -2.327 -9.266 1.00 0.00 C ATOM 583 CZ TYR A 614 10.201 -1.580 -10.258 1.00 0.00 C ATOM 584 OH TYR A 614 10.394 -0.245 -10.071 1.00 0.00 O ATOM 0 H TYR A 614 6.886 -6.483 -10.835 1.00 0.00 H new ATOM 0 HA TYR A 614 8.847 -5.473 -12.800 1.00 0.00 H new ATOM 0 HB2 TYR A 614 9.098 -6.248 -9.897 1.00 0.00 H new ATOM 0 HB3 TYR A 614 10.479 -6.328 -10.972 1.00 0.00 H new ATOM 0 HD1 TYR A 614 10.793 -4.100 -12.490 1.00 0.00 H new ATOM 0 HD2 TYR A 614 8.821 -4.274 -8.665 1.00 0.00 H new ATOM 0 HE1 TYR A 614 11.187 -1.665 -12.187 1.00 0.00 H new ATOM 0 HE2 TYR A 614 9.172 -1.835 -8.373 1.00 0.00 H new ATOM 0 HH TYR A 614 9.572 0.239 -10.296 1.00 0.00 H new ATOM 594 N GLU A 615 7.801 -8.444 -12.330 1.00 0.00 N ATOM 595 CA GLU A 615 7.729 -9.723 -12.995 1.00 0.00 C ATOM 596 C GLU A 615 7.841 -9.483 -14.492 1.00 0.00 C ATOM 597 O GLU A 615 8.868 -9.799 -15.093 1.00 0.00 O ATOM 598 CB GLU A 615 6.436 -10.465 -12.638 1.00 0.00 C ATOM 599 CG GLU A 615 6.656 -11.609 -11.645 1.00 0.00 C ATOM 600 CD GLU A 615 5.366 -12.393 -11.411 1.00 0.00 C ATOM 601 OE1 GLU A 615 4.336 -11.763 -11.089 1.00 0.00 O ATOM 602 OE2 GLU A 615 5.436 -13.639 -11.514 1.00 0.00 O ATOM 0 H GLU A 615 7.012 -8.270 -11.707 1.00 0.00 H new ATOM 0 HA GLU A 615 8.549 -10.361 -12.664 1.00 0.00 H new ATOM 0 HB2 GLU A 615 5.723 -9.757 -12.216 1.00 0.00 H new ATOM 0 HB3 GLU A 615 5.989 -10.863 -13.549 1.00 0.00 H new ATOM 0 HG2 GLU A 615 7.428 -12.279 -12.023 1.00 0.00 H new ATOM 0 HG3 GLU A 615 7.018 -11.208 -10.698 1.00 0.00 H new ATOM 609 N ASP A 616 6.791 -8.923 -15.094 1.00 0.00 N ATOM 610 CA ASP A 616 6.616 -8.926 -16.542 1.00 0.00 C ATOM 611 C ASP A 616 7.616 -7.998 -17.239 1.00 0.00 C ATOM 612 O ASP A 616 7.865 -8.135 -18.433 1.00 0.00 O ATOM 613 CB ASP A 616 5.162 -8.555 -16.874 1.00 0.00 C ATOM 614 CG ASP A 616 4.653 -9.348 -18.090 1.00 0.00 C ATOM 615 OD1 ASP A 616 4.864 -10.583 -18.137 1.00 0.00 O ATOM 616 OD2 ASP A 616 3.990 -8.772 -18.980 1.00 0.00 O ATOM 0 H ASP A 616 6.039 -8.455 -14.589 1.00 0.00 H new ATOM 0 HA ASP A 616 6.820 -9.927 -16.921 1.00 0.00 H new ATOM 0 HB2 ASP A 616 4.526 -8.757 -16.012 1.00 0.00 H new ATOM 0 HB3 ASP A 616 5.093 -7.486 -17.078 1.00 0.00 H new ATOM 621 N ASP A 617 8.236 -7.111 -16.456 1.00 0.00 N ATOM 622 CA ASP A 617 9.268 -6.161 -16.850 1.00 0.00 C ATOM 623 C ASP A 617 10.599 -6.871 -17.091 1.00 0.00 C ATOM 624 O ASP A 617 11.366 -6.509 -17.980 1.00 0.00 O ATOM 625 CB ASP A 617 9.403 -5.176 -15.690 1.00 0.00 C ATOM 626 CG ASP A 617 10.341 -4.001 -15.968 1.00 0.00 C ATOM 627 OD1 ASP A 617 10.169 -3.360 -17.028 1.00 0.00 O ATOM 628 OD2 ASP A 617 11.190 -3.737 -15.086 1.00 0.00 O ATOM 0 H ASP A 617 8.012 -7.036 -15.464 1.00 0.00 H new ATOM 0 HA ASP A 617 9.000 -5.658 -17.779 1.00 0.00 H new ATOM 0 HB2 ASP A 617 8.415 -4.787 -15.443 1.00 0.00 H new ATOM 0 HB3 ASP A 617 9.763 -5.713 -14.813 1.00 0.00 H new ATOM 633 N TYR A 618 10.839 -7.930 -16.312 1.00 0.00 N ATOM 634 CA TYR A 618 12.024 -8.775 -16.391 1.00 0.00 C ATOM 635 C TYR A 618 11.692 -10.144 -17.005 1.00 0.00 C ATOM 636 O TYR A 618 12.588 -10.966 -17.211 1.00 0.00 O ATOM 637 CB TYR A 618 12.649 -8.859 -14.993 1.00 0.00 C ATOM 638 CG TYR A 618 13.479 -7.647 -14.608 1.00 0.00 C ATOM 639 CD1 TYR A 618 12.856 -6.477 -14.136 1.00 0.00 C ATOM 640 CD2 TYR A 618 14.882 -7.682 -14.746 1.00 0.00 C ATOM 641 CE1 TYR A 618 13.619 -5.339 -13.826 1.00 0.00 C ATOM 642 CE2 TYR A 618 15.655 -6.550 -14.427 1.00 0.00 C ATOM 643 CZ TYR A 618 15.023 -5.369 -13.975 1.00 0.00 C ATOM 644 OH TYR A 618 15.772 -4.270 -13.681 1.00 0.00 O ATOM 0 H TYR A 618 10.188 -8.229 -15.586 1.00 0.00 H new ATOM 0 HA TYR A 618 12.763 -8.340 -17.064 1.00 0.00 H new ATOM 0 HB2 TYR A 618 11.854 -8.989 -14.259 1.00 0.00 H new ATOM 0 HB3 TYR A 618 13.278 -9.747 -14.941 1.00 0.00 H new ATOM 0 HD1 TYR A 618 11.783 -6.454 -14.011 1.00 0.00 H new ATOM 0 HD2 TYR A 618 15.365 -8.581 -15.098 1.00 0.00 H new ATOM 0 HE1 TYR A 618 13.132 -4.442 -13.474 1.00 0.00 H new ATOM 0 HE2 TYR A 618 16.730 -6.584 -14.527 1.00 0.00 H new ATOM 0 HH TYR A 618 16.719 -4.467 -13.840 1.00 0.00 H new ATOM 654 N GLY A 619 10.415 -10.383 -17.321 1.00 0.00 N ATOM 655 CA GLY A 619 9.954 -11.575 -18.029 1.00 0.00 C ATOM 656 C GLY A 619 9.499 -12.663 -17.076 1.00 0.00 C ATOM 657 O GLY A 619 9.955 -13.805 -17.145 1.00 0.00 O ATOM 0 H GLY A 619 9.660 -9.738 -17.086 1.00 0.00 H new ATOM 0 HA2 GLY A 619 9.131 -11.307 -18.692 1.00 0.00 H new ATOM 0 HA3 GLY A 619 10.759 -11.957 -18.657 1.00 0.00 H new ATOM 661 N GLY A 620 8.617 -12.264 -16.169 1.00 0.00 N ATOM 662 CA GLY A 620 8.092 -13.054 -15.079 1.00 0.00 C ATOM 663 C GLY A 620 9.151 -13.264 -14.002 1.00 0.00 C ATOM 664 O GLY A 620 9.319 -14.392 -13.540 1.00 0.00 O ATOM 0 H GLY A 620 8.229 -11.321 -16.182 1.00 0.00 H new ATOM 0 HA2 GLY A 620 7.223 -12.556 -14.649 1.00 0.00 H new ATOM 0 HA3 GLY A 620 7.752 -14.019 -15.454 1.00 0.00 H new ATOM 668 N ARG A 621 9.912 -12.203 -13.670 1.00 0.00 N ATOM 669 CA ARG A 621 11.213 -12.384 -13.027 1.00 0.00 C ATOM 670 C ARG A 621 11.624 -11.396 -11.913 1.00 0.00 C ATOM 671 O ARG A 621 12.637 -11.647 -11.273 1.00 0.00 O ATOM 672 CB ARG A 621 12.193 -12.470 -14.207 1.00 0.00 C ATOM 673 CG ARG A 621 13.646 -12.846 -13.908 1.00 0.00 C ATOM 674 CD ARG A 621 14.472 -13.001 -15.193 1.00 0.00 C ATOM 675 NE ARG A 621 13.898 -14.022 -16.086 1.00 0.00 N ATOM 676 CZ ARG A 621 13.920 -15.349 -15.894 1.00 0.00 C ATOM 677 NH1 ARG A 621 14.686 -15.888 -14.942 1.00 0.00 N ATOM 678 NH2 ARG A 621 13.158 -16.136 -16.652 1.00 0.00 N ATOM 0 H ARG A 621 9.649 -11.232 -13.836 1.00 0.00 H new ATOM 0 HA ARG A 621 11.195 -13.282 -12.409 1.00 0.00 H new ATOM 0 HB2 ARG A 621 11.799 -13.198 -14.916 1.00 0.00 H new ATOM 0 HB3 ARG A 621 12.195 -11.503 -14.711 1.00 0.00 H new ATOM 0 HG2 ARG A 621 14.097 -12.080 -13.277 1.00 0.00 H new ATOM 0 HG3 ARG A 621 13.671 -13.779 -13.345 1.00 0.00 H new ATOM 0 HD2 ARG A 621 14.518 -12.045 -15.714 1.00 0.00 H new ATOM 0 HD3 ARG A 621 15.496 -13.274 -14.938 1.00 0.00 H new ATOM 0 HE ARG A 621 13.439 -13.687 -16.933 1.00 0.00 H new ATOM 0 HH11 ARG A 621 15.263 -15.289 -14.351 1.00 0.00 H new ATOM 0 HH12 ARG A 621 14.694 -16.899 -14.806 1.00 0.00 H new ATOM 0 HH21 ARG A 621 12.563 -15.728 -17.373 1.00 0.00 H new ATOM 0 HH22 ARG A 621 13.170 -17.146 -16.511 1.00 0.00 H new ATOM 692 N ALA A 622 10.873 -10.320 -11.641 1.00 0.00 N ATOM 693 CA ALA A 622 10.853 -9.523 -10.401 1.00 0.00 C ATOM 694 C ALA A 622 12.122 -9.605 -9.519 1.00 0.00 C ATOM 695 O ALA A 622 12.136 -10.347 -8.538 1.00 0.00 O ATOM 696 CB ALA A 622 9.610 -9.913 -9.597 1.00 0.00 C ATOM 0 H ALA A 622 10.215 -9.955 -12.330 1.00 0.00 H new ATOM 0 HA ALA A 622 10.826 -8.479 -10.713 1.00 0.00 H new ATOM 0 HB1 ALA A 622 9.577 -9.334 -8.674 1.00 0.00 H new ATOM 0 HB2 ALA A 622 8.716 -9.708 -10.186 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.651 -10.975 -9.357 1.00 0.00 H new ATOM 702 N PRO A 623 13.190 -8.853 -9.831 1.00 0.00 N ATOM 703 CA PRO A 623 14.477 -8.966 -9.156 1.00 0.00 C ATOM 704 C PRO A 623 14.361 -8.726 -7.646 1.00 0.00 C ATOM 705 O PRO A 623 13.957 -7.642 -7.225 1.00 0.00 O ATOM 706 CB PRO A 623 15.425 -7.979 -9.837 1.00 0.00 C ATOM 707 CG PRO A 623 14.567 -7.163 -10.805 1.00 0.00 C ATOM 708 CD PRO A 623 13.191 -7.811 -10.831 1.00 0.00 C ATOM 0 HA PRO A 623 14.867 -9.980 -9.244 1.00 0.00 H new ATOM 0 HB2 PRO A 623 15.907 -7.332 -9.103 1.00 0.00 H new ATOM 0 HB3 PRO A 623 16.219 -8.505 -10.368 1.00 0.00 H new ATOM 0 HG2 PRO A 623 14.499 -6.125 -10.479 1.00 0.00 H new ATOM 0 HG3 PRO A 623 15.009 -7.156 -11.801 1.00 0.00 H new ATOM 0 HD2 PRO A 623 12.415 -7.075 -10.620 1.00 0.00 H new ATOM 0 HD3 PRO A 623 12.979 -8.224 -11.817 1.00 0.00 H new ATOM 716 N THR A 624 14.767 -9.708 -6.832 1.00 0.00 N ATOM 717 CA THR A 624 14.686 -9.705 -5.373 1.00 0.00 C ATOM 718 C THR A 624 15.416 -8.469 -4.825 1.00 0.00 C ATOM 719 O THR A 624 14.945 -7.811 -3.897 1.00 0.00 O ATOM 720 CB THR A 624 15.276 -11.034 -4.824 1.00 0.00 C ATOM 721 OG1 THR A 624 14.837 -12.131 -5.611 1.00 0.00 O ATOM 722 CG2 THR A 624 14.848 -11.296 -3.381 1.00 0.00 C ATOM 0 H THR A 624 15.181 -10.567 -7.195 1.00 0.00 H new ATOM 0 HA THR A 624 13.649 -9.645 -5.044 1.00 0.00 H new ATOM 0 HB THR A 624 16.361 -10.934 -4.865 1.00 0.00 H new ATOM 0 HG1 THR A 624 14.794 -12.937 -5.054 1.00 0.00 H new ATOM 0 HG21 THR A 624 15.283 -12.235 -3.037 1.00 0.00 H new ATOM 0 HG22 THR A 624 15.194 -10.481 -2.745 1.00 0.00 H new ATOM 0 HG23 THR A 624 13.761 -11.359 -3.330 1.00 0.00 H new ATOM 730 N ASN A 625 16.532 -8.102 -5.469 1.00 0.00 N ATOM 731 CA ASN A 625 17.350 -6.955 -5.108 1.00 0.00 C ATOM 732 C ASN A 625 16.577 -5.644 -5.287 1.00 0.00 C ATOM 733 O ASN A 625 16.622 -4.760 -4.430 1.00 0.00 O ATOM 734 CB ASN A 625 18.627 -6.933 -5.966 1.00 0.00 C ATOM 735 CG ASN A 625 19.479 -8.185 -5.778 1.00 0.00 C ATOM 736 OD1 ASN A 625 20.188 -8.318 -4.792 1.00 0.00 O ATOM 737 ND2 ASN A 625 19.422 -9.135 -6.705 1.00 0.00 N ATOM 0 H ASN A 625 16.893 -8.613 -6.275 1.00 0.00 H new ATOM 0 HA ASN A 625 17.620 -7.047 -4.056 1.00 0.00 H new ATOM 0 HB2 ASN A 625 18.353 -6.838 -7.017 1.00 0.00 H new ATOM 0 HB3 ASN A 625 19.218 -6.054 -5.710 1.00 0.00 H new ATOM 0 HD21 ASN A 625 19.974 -9.986 -6.598 1.00 0.00 H new ATOM 0 HD22 ASN A 625 18.827 -9.013 -7.524 1.00 0.00 H new ATOM 744 N ILE A 626 15.867 -5.515 -6.414 1.00 0.00 N ATOM 745 CA ILE A 626 15.090 -4.326 -6.732 1.00 0.00 C ATOM 746 C ILE A 626 13.848 -4.292 -5.849 1.00 0.00 C ATOM 747 O ILE A 626 13.518 -3.233 -5.336 1.00 0.00 O ATOM 748 CB ILE A 626 14.754 -4.279 -8.237 1.00 0.00 C ATOM 749 CG1 ILE A 626 16.033 -4.275 -9.113 1.00 0.00 C ATOM 750 CG2 ILE A 626 13.854 -3.082 -8.594 1.00 0.00 C ATOM 751 CD1 ILE A 626 17.046 -3.164 -8.809 1.00 0.00 C ATOM 0 H ILE A 626 15.819 -6.240 -7.130 1.00 0.00 H new ATOM 0 HA ILE A 626 15.675 -3.430 -6.524 1.00 0.00 H new ATOM 0 HB ILE A 626 14.197 -5.190 -8.454 1.00 0.00 H new ATOM 0 HG12 ILE A 626 16.532 -5.237 -8.999 1.00 0.00 H new ATOM 0 HG13 ILE A 626 15.735 -4.193 -10.158 1.00 0.00 H new ATOM 0 HG21 ILE A 626 13.644 -3.091 -9.664 1.00 0.00 H new ATOM 0 HG22 ILE A 626 12.918 -3.153 -8.040 1.00 0.00 H new ATOM 0 HG23 ILE A 626 14.362 -2.154 -8.331 1.00 0.00 H new ATOM 0 HD11 ILE A 626 17.900 -3.257 -9.480 1.00 0.00 H new ATOM 0 HD12 ILE A 626 16.574 -2.192 -8.954 1.00 0.00 H new ATOM 0 HD13 ILE A 626 17.384 -3.253 -7.777 1.00 0.00 H new ATOM 763 N LEU A 627 13.201 -5.435 -5.608 1.00 0.00 N ATOM 764 CA LEU A 627 12.087 -5.556 -4.673 1.00 0.00 C ATOM 765 C LEU A 627 12.461 -4.984 -3.304 1.00 0.00 C ATOM 766 O LEU A 627 11.694 -4.200 -2.751 1.00 0.00 O ATOM 767 CB LEU A 627 11.667 -7.035 -4.582 1.00 0.00 C ATOM 768 CG LEU A 627 10.583 -7.470 -5.589 1.00 0.00 C ATOM 769 CD1 LEU A 627 9.235 -7.260 -4.905 1.00 0.00 C ATOM 770 CD2 LEU A 627 10.575 -6.795 -6.967 1.00 0.00 C ATOM 0 H LEU A 627 13.442 -6.314 -6.066 1.00 0.00 H new ATOM 0 HA LEU A 627 11.239 -4.975 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 627 12.550 -7.657 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 627 11.304 -7.232 -3.573 1.00 0.00 H new ATOM 0 HG LEU A 627 10.807 -8.508 -5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 627 8.433 -7.555 -5.582 1.00 0.00 H new ATOM 0 HD12 LEU A 627 9.188 -7.866 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 627 9.120 -6.208 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 627 9.760 -7.201 -7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 627 10.436 -5.721 -6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 627 11.523 -6.984 -7.470 1.00 0.00 H new ATOM 782 N ILE A 628 13.644 -5.329 -2.785 1.00 0.00 N ATOM 783 CA ILE A 628 14.177 -4.753 -1.552 1.00 0.00 C ATOM 784 C ILE A 628 14.317 -3.234 -1.721 1.00 0.00 C ATOM 785 O ILE A 628 13.679 -2.483 -0.975 1.00 0.00 O ATOM 786 CB ILE A 628 15.486 -5.474 -1.146 1.00 0.00 C ATOM 787 CG1 ILE A 628 15.182 -6.926 -0.695 1.00 0.00 C ATOM 788 CG2 ILE A 628 16.229 -4.720 -0.029 1.00 0.00 C ATOM 789 CD1 ILE A 628 16.408 -7.845 -0.762 1.00 0.00 C ATOM 0 H ILE A 628 14.260 -6.020 -3.213 1.00 0.00 H new ATOM 0 HA ILE A 628 13.490 -4.909 -0.721 1.00 0.00 H new ATOM 0 HB ILE A 628 16.134 -5.496 -2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 628 14.802 -6.911 0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 628 14.392 -7.338 -1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 628 17.142 -5.257 0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 628 16.483 -3.717 -0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 628 15.589 -4.650 0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 628 16.130 -8.847 -0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 628 16.775 -7.888 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 628 17.191 -7.455 -0.112 1.00 0.00 H new ATOM 801 N THR A 629 15.133 -2.784 -2.686 1.00 0.00 N ATOM 802 CA THR A 629 15.461 -1.365 -2.829 1.00 0.00 C ATOM 803 C THR A 629 14.182 -0.524 -2.976 1.00 0.00 C ATOM 804 O THR A 629 14.001 0.452 -2.251 1.00 0.00 O ATOM 805 CB THR A 629 16.530 -1.159 -3.930 1.00 0.00 C ATOM 806 OG1 THR A 629 17.467 -0.202 -3.486 1.00 0.00 O ATOM 807 CG2 THR A 629 16.030 -0.712 -5.309 1.00 0.00 C ATOM 0 H THR A 629 15.577 -3.387 -3.379 1.00 0.00 H new ATOM 0 HA THR A 629 15.930 -0.993 -1.918 1.00 0.00 H new ATOM 0 HB THR A 629 16.949 -2.154 -4.080 1.00 0.00 H new ATOM 0 HG1 THR A 629 18.149 -0.067 -4.177 1.00 0.00 H new ATOM 0 HG21 THR A 629 16.877 -0.605 -5.986 1.00 0.00 H new ATOM 0 HG22 THR A 629 15.341 -1.458 -5.705 1.00 0.00 H new ATOM 0 HG23 THR A 629 15.516 0.245 -5.217 1.00 0.00 H new ATOM 815 N GLU A 630 13.247 -0.959 -3.827 1.00 0.00 N ATOM 816 CA GLU A 630 11.969 -0.306 -4.060 1.00 0.00 C ATOM 817 C GLU A 630 11.148 -0.274 -2.776 1.00 0.00 C ATOM 818 O GLU A 630 10.609 0.774 -2.437 1.00 0.00 O ATOM 819 CB GLU A 630 11.194 -1.034 -5.169 1.00 0.00 C ATOM 820 CG GLU A 630 11.748 -0.762 -6.575 1.00 0.00 C ATOM 821 CD GLU A 630 11.544 0.688 -7.028 1.00 0.00 C ATOM 822 OE1 GLU A 630 10.366 1.119 -7.096 1.00 0.00 O ATOM 823 OE2 GLU A 630 12.565 1.352 -7.303 1.00 0.00 O ATOM 0 H GLU A 630 13.370 -1.803 -4.387 1.00 0.00 H new ATOM 0 HA GLU A 630 12.155 0.719 -4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 630 11.220 -2.107 -4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 630 10.148 -0.729 -5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 630 12.812 -0.996 -6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 630 11.263 -1.431 -7.286 1.00 0.00 H new ATOM 830 N MET A 631 11.067 -1.372 -2.018 1.00 0.00 N ATOM 831 CA MET A 631 10.330 -1.355 -0.759 1.00 0.00 C ATOM 832 C MET A 631 10.911 -0.327 0.226 1.00 0.00 C ATOM 833 O MET A 631 10.137 0.333 0.926 1.00 0.00 O ATOM 834 CB MET A 631 10.369 -2.731 -0.098 1.00 0.00 C ATOM 835 CG MET A 631 9.408 -3.771 -0.678 1.00 0.00 C ATOM 836 SD MET A 631 7.648 -3.619 -0.269 1.00 0.00 S ATOM 837 CE MET A 631 7.687 -3.657 1.535 1.00 0.00 C ATOM 0 H MET A 631 11.496 -2.267 -2.252 1.00 0.00 H new ATOM 0 HA MET A 631 9.303 -1.079 -0.997 1.00 0.00 H new ATOM 0 HB2 MET A 631 11.384 -3.120 -0.171 1.00 0.00 H new ATOM 0 HB3 MET A 631 10.149 -2.611 0.963 1.00 0.00 H new ATOM 0 HG2 MET A 631 9.503 -3.745 -1.764 1.00 0.00 H new ATOM 0 HG3 MET A 631 9.744 -4.755 -0.352 1.00 0.00 H new ATOM 0 HE1 MET A 631 6.717 -3.979 1.913 1.00 0.00 H new ATOM 0 HE2 MET A 631 8.456 -4.354 1.868 1.00 0.00 H new ATOM 0 HE3 MET A 631 7.912 -2.660 1.915 1.00 0.00 H new ATOM 847 N MET A 632 12.245 -0.171 0.301 1.00 0.00 N ATOM 848 CA MET A 632 12.819 0.831 1.206 1.00 0.00 C ATOM 849 C MET A 632 12.552 2.237 0.671 1.00 0.00 C ATOM 850 O MET A 632 12.415 3.171 1.456 1.00 0.00 O ATOM 851 CB MET A 632 14.327 0.659 1.489 1.00 0.00 C ATOM 852 CG MET A 632 14.977 -0.630 0.986 1.00 0.00 C ATOM 853 SD MET A 632 16.740 -0.826 1.352 1.00 0.00 S ATOM 854 CE MET A 632 16.647 -0.905 3.151 1.00 0.00 C ATOM 0 H MET A 632 12.924 -0.709 -0.237 1.00 0.00 H new ATOM 0 HA MET A 632 12.318 0.677 2.162 1.00 0.00 H new ATOM 0 HB2 MET A 632 14.855 1.502 1.044 1.00 0.00 H new ATOM 0 HB3 MET A 632 14.480 0.719 2.567 1.00 0.00 H new ATOM 0 HG2 MET A 632 14.441 -1.476 1.416 1.00 0.00 H new ATOM 0 HG3 MET A 632 14.842 -0.684 -0.094 1.00 0.00 H new ATOM 0 HE1 MET A 632 17.552 -1.369 3.542 1.00 0.00 H new ATOM 0 HE2 MET A 632 16.552 0.103 3.555 1.00 0.00 H new ATOM 0 HE3 MET A 632 15.780 -1.497 3.445 1.00 0.00 H new ATOM 864 N ASP A 633 12.448 2.386 -0.649 1.00 0.00 N ATOM 865 CA ASP A 633 12.309 3.673 -1.306 1.00 0.00 C ATOM 866 C ASP A 633 10.886 4.172 -1.136 1.00 0.00 C ATOM 867 O ASP A 633 10.633 5.291 -0.693 1.00 0.00 O ATOM 868 CB ASP A 633 12.629 3.487 -2.792 1.00 0.00 C ATOM 869 CG ASP A 633 12.840 4.840 -3.469 1.00 0.00 C ATOM 870 OD1 ASP A 633 13.955 5.388 -3.319 1.00 0.00 O ATOM 871 OD2 ASP A 633 11.874 5.317 -4.105 1.00 0.00 O ATOM 0 H ASP A 633 12.459 1.599 -1.298 1.00 0.00 H new ATOM 0 HA ASP A 633 12.990 4.404 -0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 633 13.524 2.875 -2.903 1.00 0.00 H new ATOM 0 HB3 ASP A 633 11.815 2.952 -3.281 1.00 0.00 H new ATOM 876 N ARG A 634 9.949 3.284 -1.465 1.00 0.00 N ATOM 877 CA ARG A 634 8.537 3.580 -1.523 1.00 0.00 C ATOM 878 C ARG A 634 7.920 3.573 -0.126 1.00 0.00 C ATOM 879 O ARG A 634 6.952 4.299 0.096 1.00 0.00 O ATOM 880 CB ARG A 634 7.881 2.532 -2.429 1.00 0.00 C ATOM 881 CG ARG A 634 8.343 2.613 -3.898 1.00 0.00 C ATOM 882 CD ARG A 634 7.326 1.906 -4.806 1.00 0.00 C ATOM 883 NE ARG A 634 7.879 1.622 -6.139 1.00 0.00 N ATOM 884 CZ ARG A 634 7.266 1.008 -7.159 1.00 0.00 C ATOM 885 NH1 ARG A 634 5.980 0.655 -7.106 1.00 0.00 N ATOM 886 NH2 ARG A 634 7.990 0.708 -8.225 1.00 0.00 N ATOM 0 H ARG A 634 10.167 2.316 -1.703 1.00 0.00 H new ATOM 0 HA ARG A 634 8.374 4.578 -1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 634 8.103 1.538 -2.041 1.00 0.00 H new ATOM 0 HB3 ARG A 634 6.799 2.655 -2.389 1.00 0.00 H new ATOM 0 HG2 ARG A 634 8.448 3.656 -4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 634 9.324 2.150 -4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 634 7.010 0.973 -4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 634 6.437 2.529 -4.908 1.00 0.00 H new ATOM 0 HE ARG A 634 8.838 1.927 -6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 634 5.431 0.852 -6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 634 5.546 0.189 -7.903 1.00 0.00 H new ATOM 0 HH21 ARG A 634 8.982 0.945 -8.251 1.00 0.00 H new ATOM 0 HH22 ARG A 634 7.556 0.240 -9.021 1.00 0.00 H new ATOM 900 N TYR A 635 8.440 2.752 0.801 1.00 0.00 N ATOM 901 CA TYR A 635 7.748 2.446 2.051 1.00 0.00 C ATOM 902 C TYR A 635 8.653 2.436 3.293 1.00 0.00 C ATOM 903 O TYR A 635 8.154 2.201 4.393 1.00 0.00 O ATOM 904 CB TYR A 635 7.048 1.089 1.915 1.00 0.00 C ATOM 905 CG TYR A 635 6.325 0.801 0.605 1.00 0.00 C ATOM 906 CD1 TYR A 635 5.293 1.630 0.122 1.00 0.00 C ATOM 907 CD2 TYR A 635 6.720 -0.316 -0.150 1.00 0.00 C ATOM 908 CE1 TYR A 635 4.675 1.344 -1.111 1.00 0.00 C ATOM 909 CE2 TYR A 635 6.098 -0.622 -1.372 1.00 0.00 C ATOM 910 CZ TYR A 635 5.066 0.207 -1.858 1.00 0.00 C ATOM 911 OH TYR A 635 4.438 -0.105 -3.027 1.00 0.00 O ATOM 0 H TYR A 635 9.343 2.289 0.701 1.00 0.00 H new ATOM 0 HA TYR A 635 7.032 3.252 2.212 1.00 0.00 H new ATOM 0 HB2 TYR A 635 7.794 0.309 2.067 1.00 0.00 H new ATOM 0 HB3 TYR A 635 6.325 1.000 2.725 1.00 0.00 H new ATOM 0 HD1 TYR A 635 4.975 2.486 0.698 1.00 0.00 H new ATOM 0 HD2 TYR A 635 7.515 -0.950 0.215 1.00 0.00 H new ATOM 0 HE1 TYR A 635 3.900 1.995 -1.488 1.00 0.00 H new ATOM 0 HE2 TYR A 635 6.409 -1.488 -1.937 1.00 0.00 H new ATOM 0 HH TYR A 635 4.836 -0.916 -3.406 1.00 0.00 H new ATOM 921 N ASN A 636 9.960 2.688 3.141 1.00 0.00 N ATOM 922 CA ASN A 636 10.967 2.683 4.213 1.00 0.00 C ATOM 923 C ASN A 636 10.971 1.380 5.031 1.00 0.00 C ATOM 924 O ASN A 636 11.115 1.383 6.254 1.00 0.00 O ATOM 925 CB ASN A 636 10.839 3.953 5.067 1.00 0.00 C ATOM 926 CG ASN A 636 12.030 4.129 6.009 1.00 0.00 C ATOM 927 OD1 ASN A 636 13.180 3.985 5.613 1.00 0.00 O ATOM 928 ND2 ASN A 636 11.785 4.468 7.268 1.00 0.00 N ATOM 0 H ASN A 636 10.362 2.910 2.230 1.00 0.00 H new ATOM 0 HA ASN A 636 11.954 2.704 3.750 1.00 0.00 H new ATOM 0 HB2 ASN A 636 10.760 4.823 4.415 1.00 0.00 H new ATOM 0 HB3 ASN A 636 9.919 3.907 5.650 1.00 0.00 H new ATOM 0 HD21 ASN A 636 12.558 4.612 7.917 1.00 0.00 H new ATOM 0 HD22 ASN A 636 10.823 4.585 7.587 1.00 0.00 H new ATOM 935 N VAL A 637 10.810 0.244 4.350 1.00 0.00 N ATOM 936 CA VAL A 637 10.918 -1.083 4.945 1.00 0.00 C ATOM 937 C VAL A 637 12.378 -1.527 4.785 1.00 0.00 C ATOM 938 O VAL A 637 12.904 -1.557 3.673 1.00 0.00 O ATOM 939 CB VAL A 637 9.897 -2.009 4.268 1.00 0.00 C ATOM 940 CG1 VAL A 637 9.934 -3.411 4.864 1.00 0.00 C ATOM 941 CG2 VAL A 637 8.466 -1.487 4.490 1.00 0.00 C ATOM 0 H VAL A 637 10.597 0.223 3.353 1.00 0.00 H new ATOM 0 HA VAL A 637 10.681 -1.103 6.009 1.00 0.00 H new ATOM 0 HB VAL A 637 10.158 -2.033 3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 637 9.199 -4.040 4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 637 10.928 -3.837 4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 637 9.701 -3.360 5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 637 7.755 -2.155 4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 637 8.255 -1.448 5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 637 8.373 -0.487 4.065 1.00 0.00 H new ATOM 951 N SER A 638 13.043 -1.822 5.906 1.00 0.00 N ATOM 952 CA SER A 638 14.436 -2.234 5.985 1.00 0.00 C ATOM 953 C SER A 638 14.612 -3.583 5.295 1.00 0.00 C ATOM 954 O SER A 638 13.695 -4.397 5.310 1.00 0.00 O ATOM 955 CB SER A 638 14.839 -2.336 7.463 1.00 0.00 C ATOM 956 OG SER A 638 14.288 -1.271 8.219 1.00 0.00 O ATOM 0 H SER A 638 12.598 -1.776 6.823 1.00 0.00 H new ATOM 0 HA SER A 638 15.071 -1.503 5.485 1.00 0.00 H new ATOM 0 HB2 SER A 638 14.500 -3.288 7.870 1.00 0.00 H new ATOM 0 HB3 SER A 638 15.926 -2.322 7.548 1.00 0.00 H new ATOM 0 HG SER A 638 14.559 -1.361 9.157 1.00 0.00 H new ATOM 962 N GLU A 639 15.804 -3.850 4.759 1.00 0.00 N ATOM 963 CA GLU A 639 16.102 -5.017 3.935 1.00 0.00 C ATOM 964 C GLU A 639 15.688 -6.328 4.609 1.00 0.00 C ATOM 965 O GLU A 639 15.113 -7.195 3.957 1.00 0.00 O ATOM 966 CB GLU A 639 17.599 -4.971 3.588 1.00 0.00 C ATOM 967 CG GLU A 639 18.116 -6.250 2.919 1.00 0.00 C ATOM 968 CD GLU A 639 19.528 -6.049 2.366 1.00 0.00 C ATOM 969 OE1 GLU A 639 20.475 -6.085 3.184 1.00 0.00 O ATOM 970 OE2 GLU A 639 19.640 -5.841 1.137 1.00 0.00 O ATOM 0 H GLU A 639 16.611 -3.241 4.892 1.00 0.00 H new ATOM 0 HA GLU A 639 15.514 -4.986 3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 639 17.784 -4.125 2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 639 18.169 -4.792 4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 639 18.117 -7.067 3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 639 17.443 -6.539 2.112 1.00 0.00 H new ATOM 977 N GLU A 640 15.898 -6.441 5.922 1.00 0.00 N ATOM 978 CA GLU A 640 15.533 -7.635 6.689 1.00 0.00 C ATOM 979 C GLU A 640 14.005 -7.760 6.753 1.00 0.00 C ATOM 980 O GLU A 640 13.421 -8.818 6.518 1.00 0.00 O ATOM 981 CB GLU A 640 16.152 -7.508 8.090 1.00 0.00 C ATOM 982 CG GLU A 640 15.854 -8.715 8.990 1.00 0.00 C ATOM 983 CD GLU A 640 16.503 -8.549 10.367 1.00 0.00 C ATOM 984 OE1 GLU A 640 16.039 -7.657 11.113 1.00 0.00 O ATOM 985 OE2 GLU A 640 17.453 -9.310 10.655 1.00 0.00 O ATOM 0 H GLU A 640 16.327 -5.706 6.485 1.00 0.00 H new ATOM 0 HA GLU A 640 15.914 -8.539 6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 640 17.231 -7.391 7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 640 15.774 -6.604 8.567 1.00 0.00 H new ATOM 0 HG2 GLU A 640 14.776 -8.830 9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 640 16.224 -9.625 8.518 1.00 0.00 H new ATOM 992 N LYS A 641 13.362 -6.625 7.025 1.00 0.00 N ATOM 993 CA LYS A 641 11.925 -6.429 7.107 1.00 0.00 C ATOM 994 C LYS A 641 11.231 -6.544 5.747 1.00 0.00 C ATOM 995 O LYS A 641 10.006 -6.606 5.715 1.00 0.00 O ATOM 996 CB LYS A 641 11.679 -5.043 7.728 1.00 0.00 C ATOM 997 CG LYS A 641 10.825 -5.106 8.988 1.00 0.00 C ATOM 998 CD LYS A 641 9.398 -5.642 8.817 1.00 0.00 C ATOM 999 CE LYS A 641 8.491 -4.871 7.864 1.00 0.00 C ATOM 1000 NZ LYS A 641 8.265 -3.480 8.312 1.00 0.00 N ATOM 0 H LYS A 641 13.873 -5.761 7.206 1.00 0.00 H new ATOM 0 HA LYS A 641 11.496 -7.218 7.725 1.00 0.00 H new ATOM 0 HB2 LYS A 641 12.637 -4.581 7.966 1.00 0.00 H new ATOM 0 HB3 LYS A 641 11.190 -4.402 6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 641 11.339 -5.730 9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 641 10.765 -4.103 9.411 1.00 0.00 H new ATOM 0 HD2 LYS A 641 9.460 -6.673 8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 641 8.922 -5.664 9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 641 8.935 -4.863 6.869 1.00 0.00 H new ATOM 0 HE3 LYS A 641 7.533 -5.385 7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 641 7.643 -2.994 7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 641 7.817 -3.486 9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 641 9.176 -2.981 8.366 1.00 0.00 H new ATOM 1014 N VAL A 642 11.983 -6.543 4.644 1.00 0.00 N ATOM 1015 CA VAL A 642 11.514 -6.967 3.324 1.00 0.00 C ATOM 1016 C VAL A 642 11.802 -8.449 3.111 1.00 0.00 C ATOM 1017 O VAL A 642 10.895 -9.158 2.689 1.00 0.00 O ATOM 1018 CB VAL A 642 12.118 -6.142 2.165 1.00 0.00 C ATOM 1019 CG1 VAL A 642 11.423 -6.525 0.851 1.00 0.00 C ATOM 1020 CG2 VAL A 642 11.946 -4.631 2.326 1.00 0.00 C ATOM 0 H VAL A 642 12.957 -6.240 4.644 1.00 0.00 H new ATOM 0 HA VAL A 642 10.439 -6.790 3.309 1.00 0.00 H new ATOM 0 HB VAL A 642 13.184 -6.370 2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 642 11.848 -5.944 0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.571 -7.587 0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.356 -6.316 0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 642 12.395 -4.121 1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 642 10.884 -4.389 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 642 12.436 -4.305 3.244 1.00 0.00 H new ATOM 1030 N GLU A 643 13.013 -8.938 3.394 1.00 0.00 N ATOM 1031 CA GLU A 643 13.359 -10.345 3.200 1.00 0.00 C ATOM 1032 C GLU A 643 12.414 -11.267 3.975 1.00 0.00 C ATOM 1033 O GLU A 643 12.120 -12.368 3.509 1.00 0.00 O ATOM 1034 CB GLU A 643 14.828 -10.601 3.579 1.00 0.00 C ATOM 1035 CG GLU A 643 15.780 -10.350 2.398 1.00 0.00 C ATOM 1036 CD GLU A 643 15.717 -11.496 1.378 1.00 0.00 C ATOM 1037 OE1 GLU A 643 14.829 -11.441 0.498 1.00 0.00 O ATOM 1038 OE2 GLU A 643 16.536 -12.433 1.506 1.00 0.00 O ATOM 0 H GLU A 643 13.777 -8.371 3.762 1.00 0.00 H new ATOM 0 HA GLU A 643 13.238 -10.577 2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 643 15.105 -9.955 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 643 14.940 -11.629 3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 643 15.518 -9.411 1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 643 16.800 -10.244 2.767 1.00 0.00 H new ATOM 1045 N GLU A 644 11.856 -10.803 5.101 1.00 0.00 N ATOM 1046 CA GLU A 644 10.798 -11.536 5.783 1.00 0.00 C ATOM 1047 C GLU A 644 9.602 -11.745 4.845 1.00 0.00 C ATOM 1048 O GLU A 644 9.123 -12.864 4.699 1.00 0.00 O ATOM 1049 CB GLU A 644 10.416 -10.893 7.135 1.00 0.00 C ATOM 1050 CG GLU A 644 9.279 -9.863 7.029 1.00 0.00 C ATOM 1051 CD GLU A 644 8.838 -9.175 8.325 1.00 0.00 C ATOM 1052 OE1 GLU A 644 9.637 -9.128 9.284 1.00 0.00 O ATOM 1053 OE2 GLU A 644 7.703 -8.638 8.317 1.00 0.00 O ATOM 0 H GLU A 644 12.122 -9.928 5.552 1.00 0.00 H new ATOM 0 HA GLU A 644 11.177 -12.525 6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 644 10.119 -11.678 7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 644 11.296 -10.408 7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 644 9.587 -9.091 6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 644 8.411 -10.361 6.598 1.00 0.00 H new ATOM 1060 N LEU A 645 9.149 -10.677 4.180 1.00 0.00 N ATOM 1061 CA LEU A 645 7.995 -10.635 3.289 1.00 0.00 C ATOM 1062 C LEU A 645 8.257 -11.601 2.152 1.00 0.00 C ATOM 1063 O LEU A 645 7.406 -12.423 1.807 1.00 0.00 O ATOM 1064 CB LEU A 645 7.724 -9.211 2.768 1.00 0.00 C ATOM 1065 CG LEU A 645 7.790 -8.122 3.850 1.00 0.00 C ATOM 1066 CD1 LEU A 645 7.688 -6.740 3.209 1.00 0.00 C ATOM 1067 CD2 LEU A 645 6.712 -8.283 4.925 1.00 0.00 C ATOM 0 H LEU A 645 9.607 -9.769 4.257 1.00 0.00 H new ATOM 0 HA LEU A 645 7.097 -10.929 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 645 8.449 -8.977 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 645 6.738 -9.187 2.304 1.00 0.00 H new ATOM 0 HG LEU A 645 8.753 -8.230 4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 645 7.736 -5.975 3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 645 8.513 -6.601 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 645 6.742 -6.656 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 645 6.810 -7.485 5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 645 5.726 -8.231 4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 645 6.831 -9.248 5.418 1.00 0.00 H new ATOM 1079 N ILE A 646 9.475 -11.513 1.617 1.00 0.00 N ATOM 1080 CA ILE A 646 9.897 -12.339 0.509 1.00 0.00 C ATOM 1081 C ILE A 646 9.906 -13.796 0.969 1.00 0.00 C ATOM 1082 O ILE A 646 9.446 -14.641 0.205 1.00 0.00 O ATOM 1083 CB ILE A 646 11.236 -11.841 -0.095 1.00 0.00 C ATOM 1084 CG1 ILE A 646 11.093 -10.364 -0.532 1.00 0.00 C ATOM 1085 CG2 ILE A 646 11.585 -12.693 -1.323 1.00 0.00 C ATOM 1086 CD1 ILE A 646 12.309 -9.691 -1.177 1.00 0.00 C ATOM 0 H ILE A 646 10.189 -10.864 1.947 1.00 0.00 H new ATOM 0 HA ILE A 646 9.192 -12.265 -0.319 1.00 0.00 H new ATOM 0 HB ILE A 646 12.023 -11.926 0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 646 10.263 -10.301 -1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 646 10.813 -9.780 0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 646 12.526 -12.346 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 646 11.685 -13.737 -1.025 1.00 0.00 H new ATOM 0 HG23 ILE A 646 10.793 -12.602 -2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 646 12.062 -8.660 -1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 646 13.145 -9.702 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 646 12.586 -10.231 -2.082 1.00 0.00 H new ATOM 1098 N ARG A 647 10.336 -14.122 2.202 1.00 0.00 N ATOM 1099 CA ARG A 647 10.296 -15.526 2.607 1.00 0.00 C ATOM 1100 C ARG A 647 8.863 -15.962 2.869 1.00 0.00 C ATOM 1101 O ARG A 647 8.439 -16.942 2.275 1.00 0.00 O ATOM 1102 CB ARG A 647 11.298 -15.908 3.712 1.00 0.00 C ATOM 1103 CG ARG A 647 10.971 -15.559 5.176 1.00 0.00 C ATOM 1104 CD ARG A 647 11.713 -16.476 6.163 1.00 0.00 C ATOM 1105 NE ARG A 647 11.202 -17.857 6.077 1.00 0.00 N ATOM 1106 CZ ARG A 647 11.568 -18.946 6.757 1.00 0.00 C ATOM 1107 NH1 ARG A 647 12.492 -18.859 7.715 1.00 0.00 N ATOM 1108 NH2 ARG A 647 11.005 -20.123 6.475 1.00 0.00 N ATOM 0 H ARG A 647 10.696 -13.468 2.897 1.00 0.00 H new ATOM 0 HA ARG A 647 10.660 -16.112 1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 647 11.451 -16.986 3.658 1.00 0.00 H new ATOM 0 HB3 ARG A 647 12.251 -15.438 3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 647 11.241 -14.521 5.371 1.00 0.00 H new ATOM 0 HG3 ARG A 647 9.897 -15.644 5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 647 12.781 -16.464 5.946 1.00 0.00 H new ATOM 0 HD3 ARG A 647 11.590 -16.100 7.179 1.00 0.00 H new ATOM 0 HE ARG A 647 10.457 -18.002 5.396 1.00 0.00 H new ATOM 0 HH11 ARG A 647 12.921 -17.959 7.930 1.00 0.00 H new ATOM 0 HH12 ARG A 647 12.770 -19.693 8.233 1.00 0.00 H new ATOM 0 HH21 ARG A 647 10.298 -20.188 5.742 1.00 0.00 H new ATOM 0 HH22 ARG A 647 11.282 -20.958 6.992 1.00 0.00 H new ATOM 1122 N ILE A 648 8.080 -15.215 3.651 1.00 0.00 N ATOM 1123 CA ILE A 648 6.728 -15.585 4.068 1.00 0.00 C ATOM 1124 C ILE A 648 5.905 -15.960 2.844 1.00 0.00 C ATOM 1125 O ILE A 648 5.335 -17.049 2.790 1.00 0.00 O ATOM 1126 CB ILE A 648 6.099 -14.427 4.868 1.00 0.00 C ATOM 1127 CG1 ILE A 648 6.847 -14.294 6.220 1.00 0.00 C ATOM 1128 CG2 ILE A 648 4.595 -14.600 5.139 1.00 0.00 C ATOM 1129 CD1 ILE A 648 6.727 -12.914 6.857 1.00 0.00 C ATOM 0 H ILE A 648 8.378 -14.312 4.021 1.00 0.00 H new ATOM 0 HA ILE A 648 6.756 -16.456 4.723 1.00 0.00 H new ATOM 0 HB ILE A 648 6.200 -13.530 4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 648 6.459 -15.039 6.914 1.00 0.00 H new ATOM 0 HG13 ILE A 648 7.902 -14.522 6.065 1.00 0.00 H new ATOM 0 HG21 ILE A 648 4.227 -13.745 5.706 1.00 0.00 H new ATOM 0 HG22 ILE A 648 4.060 -14.665 4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 648 4.431 -15.513 5.712 1.00 0.00 H new ATOM 0 HD11 ILE A 648 7.276 -12.899 7.799 1.00 0.00 H new ATOM 0 HD12 ILE A 648 7.142 -12.165 6.183 1.00 0.00 H new ATOM 0 HD13 ILE A 648 5.677 -12.690 7.045 1.00 0.00 H new ATOM 1141 N LEU A 649 5.849 -15.091 1.832 1.00 0.00 N ATOM 1142 CA LEU A 649 5.045 -15.407 0.673 1.00 0.00 C ATOM 1143 C LEU A 649 5.615 -16.587 -0.148 1.00 0.00 C ATOM 1144 O LEU A 649 4.856 -17.268 -0.836 1.00 0.00 O ATOM 1145 CB LEU A 649 4.838 -14.147 -0.176 1.00 0.00 C ATOM 1146 CG LEU A 649 3.819 -13.167 0.424 1.00 0.00 C ATOM 1147 CD1 LEU A 649 4.408 -12.164 1.417 1.00 0.00 C ATOM 1148 CD2 LEU A 649 3.155 -12.383 -0.712 1.00 0.00 C ATOM 0 H LEU A 649 6.336 -14.196 1.799 1.00 0.00 H new ATOM 0 HA LEU A 649 4.071 -15.749 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 649 5.794 -13.637 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 649 4.506 -14.440 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 649 3.109 -13.778 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 649 3.617 -11.513 1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 649 4.859 -12.701 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 649 5.168 -11.563 0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 649 2.429 -11.684 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 649 3.915 -11.831 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 649 2.648 -13.075 -1.384 1.00 0.00 H new ATOM 1160 N LYS A 650 6.925 -16.857 -0.072 1.00 0.00 N ATOM 1161 CA LYS A 650 7.574 -18.010 -0.736 1.00 0.00 C ATOM 1162 C LYS A 650 7.210 -19.290 0.007 1.00 0.00 C ATOM 1163 O LYS A 650 6.866 -20.301 -0.595 1.00 0.00 O ATOM 1164 CB LYS A 650 9.120 -17.898 -0.805 1.00 0.00 C ATOM 1165 CG LYS A 650 9.657 -16.954 -1.892 1.00 0.00 C ATOM 1166 CD LYS A 650 11.141 -16.585 -1.758 1.00 0.00 C ATOM 1167 CE LYS A 650 12.109 -17.762 -1.883 1.00 0.00 C ATOM 1168 NZ LYS A 650 13.507 -17.326 -1.665 1.00 0.00 N ATOM 0 H LYS A 650 7.577 -16.278 0.457 1.00 0.00 H new ATOM 0 HA LYS A 650 7.207 -18.023 -1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 650 9.488 -17.559 0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 650 9.534 -18.892 -0.972 1.00 0.00 H new ATOM 0 HG2 LYS A 650 9.501 -17.419 -2.865 1.00 0.00 H new ATOM 0 HG3 LYS A 650 9.068 -16.037 -1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 650 11.388 -15.847 -2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 650 11.296 -16.107 -0.791 1.00 0.00 H new ATOM 0 HE2 LYS A 650 11.847 -18.531 -1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 650 12.015 -18.211 -2.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 14.148 -18.133 -1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 13.745 -16.573 -2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 13.611 -16.966 -0.695 1.00 0.00 H new ATOM 1182 N ASP A 651 7.256 -19.206 1.329 1.00 0.00 N ATOM 1183 CA ASP A 651 6.976 -20.228 2.323 1.00 0.00 C ATOM 1184 C ASP A 651 5.519 -20.673 2.174 1.00 0.00 C ATOM 1185 O ASP A 651 5.212 -21.861 2.214 1.00 0.00 O ATOM 1186 CB ASP A 651 7.206 -19.610 3.713 1.00 0.00 C ATOM 1187 CG ASP A 651 8.623 -19.707 4.281 1.00 0.00 C ATOM 1188 OD1 ASP A 651 9.073 -20.801 4.681 1.00 0.00 O ATOM 1189 OD2 ASP A 651 9.267 -18.651 4.447 1.00 0.00 O ATOM 0 H ASP A 651 7.518 -18.328 1.776 1.00 0.00 H new ATOM 0 HA ASP A 651 7.625 -21.094 2.193 1.00 0.00 H new ATOM 0 HB2 ASP A 651 6.929 -18.557 3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 651 6.524 -20.089 4.416 1.00 0.00 H new ATOM 1194 N LYS A 652 4.622 -19.706 1.950 1.00 0.00 N ATOM 1195 CA LYS A 652 3.211 -19.927 1.637 1.00 0.00 C ATOM 1196 C LYS A 652 2.991 -20.553 0.259 1.00 0.00 C ATOM 1197 O LYS A 652 1.865 -20.946 -0.037 1.00 0.00 O ATOM 1198 CB LYS A 652 2.486 -18.573 1.709 1.00 0.00 C ATOM 1199 CG LYS A 652 2.102 -18.205 3.149 1.00 0.00 C ATOM 1200 CD LYS A 652 2.343 -16.726 3.474 1.00 0.00 C ATOM 1201 CE LYS A 652 1.260 -16.109 4.365 1.00 0.00 C ATOM 1202 NZ LYS A 652 1.189 -16.761 5.692 1.00 0.00 N ATOM 0 H LYS A 652 4.869 -18.717 1.983 1.00 0.00 H new ATOM 0 HA LYS A 652 2.813 -20.635 2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 652 3.127 -17.795 1.294 1.00 0.00 H new ATOM 0 HB3 LYS A 652 1.588 -18.609 1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 652 1.050 -18.440 3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 652 2.676 -18.822 3.841 1.00 0.00 H new ATOM 0 HD2 LYS A 652 3.309 -16.624 3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 652 2.400 -16.163 2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 652 1.461 -15.046 4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 652 0.293 -16.192 3.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 0.443 -16.311 6.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 0.971 -17.771 5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 2.103 -16.660 6.178 1.00 0.00 H new ATOM 1216 N GLY A 653 4.014 -20.600 -0.601 1.00 0.00 N ATOM 1217 CA GLY A 653 3.859 -20.957 -2.001 1.00 0.00 C ATOM 1218 C GLY A 653 3.019 -19.930 -2.761 1.00 0.00 C ATOM 1219 O GLY A 653 2.473 -20.271 -3.804 1.00 0.00 O ATOM 0 H GLY A 653 4.976 -20.389 -0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 653 4.841 -21.038 -2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 653 3.389 -21.938 -2.076 1.00 0.00 H new ATOM 1223 N ALA A 654 2.884 -18.696 -2.249 1.00 0.00 N ATOM 1224 CA ALA A 654 2.226 -17.608 -2.956 1.00 0.00 C ATOM 1225 C ALA A 654 3.167 -16.999 -3.995 1.00 0.00 C ATOM 1226 O ALA A 654 2.716 -16.569 -5.057 1.00 0.00 O ATOM 1227 CB ALA A 654 1.778 -16.538 -1.957 1.00 0.00 C ATOM 0 H ALA A 654 3.233 -18.433 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 654 1.351 -18.002 -3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.286 -15.725 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 654 1.082 -16.976 -1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 654 2.647 -16.149 -1.426 1.00 0.00 H new ATOM 1233 N ILE A 655 4.472 -16.970 -3.706 1.00 0.00 N ATOM 1234 CA ILE A 655 5.480 -16.515 -4.653 1.00 0.00 C ATOM 1235 C ILE A 655 6.604 -17.539 -4.711 1.00 0.00 C ATOM 1236 O ILE A 655 6.578 -18.570 -4.036 1.00 0.00 O ATOM 1237 CB ILE A 655 5.959 -15.079 -4.330 1.00 0.00 C ATOM 1238 CG1 ILE A 655 6.747 -15.039 -3.018 1.00 0.00 C ATOM 1239 CG2 ILE A 655 4.766 -14.116 -4.319 1.00 0.00 C ATOM 1240 CD1 ILE A 655 7.497 -13.734 -2.757 1.00 0.00 C ATOM 0 H ILE A 655 4.854 -17.263 -2.807 1.00 0.00 H new ATOM 0 HA ILE A 655 5.047 -16.445 -5.651 1.00 0.00 H new ATOM 0 HB ILE A 655 6.643 -14.752 -5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 655 6.058 -15.217 -2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 655 7.464 -15.860 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 655 5.114 -13.108 -4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 655 4.285 -14.121 -5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 655 4.050 -14.433 -3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 655 8.024 -13.801 -1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 655 8.215 -13.561 -3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 655 6.787 -12.907 -2.721 1.00 0.00 H new ATOM 1252 N PHE A 656 7.587 -17.246 -5.549 1.00 0.00 N ATOM 1253 CA PHE A 656 8.668 -18.127 -5.898 1.00 0.00 C ATOM 1254 C PHE A 656 9.896 -17.303 -6.244 1.00 0.00 C ATOM 1255 O PHE A 656 9.801 -16.087 -6.413 1.00 0.00 O ATOM 1256 CB PHE A 656 8.210 -18.959 -7.100 1.00 0.00 C ATOM 1257 CG PHE A 656 8.880 -20.308 -7.170 1.00 0.00 C ATOM 1258 CD1 PHE A 656 8.546 -21.293 -6.223 1.00 0.00 C ATOM 1259 CD2 PHE A 656 9.856 -20.565 -8.148 1.00 0.00 C ATOM 1260 CE1 PHE A 656 9.197 -22.539 -6.254 1.00 0.00 C ATOM 1261 CE2 PHE A 656 10.511 -21.809 -8.175 1.00 0.00 C ATOM 1262 CZ PHE A 656 10.181 -22.795 -7.227 1.00 0.00 C ATOM 0 H PHE A 656 7.646 -16.344 -6.021 1.00 0.00 H new ATOM 0 HA PHE A 656 8.929 -18.786 -5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 656 7.130 -19.098 -7.049 1.00 0.00 H new ATOM 0 HB3 PHE A 656 8.418 -18.408 -8.017 1.00 0.00 H new ATOM 0 HD1 PHE A 656 7.793 -21.093 -5.475 1.00 0.00 H new ATOM 0 HD2 PHE A 656 10.103 -19.808 -8.878 1.00 0.00 H new ATOM 0 HE1 PHE A 656 8.942 -23.300 -5.531 1.00 0.00 H new ATOM 0 HE2 PHE A 656 11.266 -22.007 -8.922 1.00 0.00 H new ATOM 0 HZ PHE A 656 10.684 -23.751 -7.246 1.00 0.00 H new ATOM 1272 N GLU A 657 11.033 -17.981 -6.392 1.00 0.00 N ATOM 1273 CA GLU A 657 12.301 -17.387 -6.776 1.00 0.00 C ATOM 1274 C GLU A 657 12.926 -18.268 -7.872 1.00 0.00 C ATOM 1275 O GLU A 657 13.725 -19.148 -7.553 1.00 0.00 O ATOM 1276 CB GLU A 657 13.155 -17.163 -5.514 1.00 0.00 C ATOM 1277 CG GLU A 657 14.415 -16.334 -5.820 1.00 0.00 C ATOM 1278 CD GLU A 657 14.940 -15.472 -4.667 1.00 0.00 C ATOM 1279 OE1 GLU A 657 14.737 -15.884 -3.501 1.00 0.00 O ATOM 1280 OE2 GLU A 657 15.561 -14.418 -4.968 1.00 0.00 O ATOM 0 H GLU A 657 11.093 -18.988 -6.242 1.00 0.00 H new ATOM 0 HA GLU A 657 12.197 -16.395 -7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 657 12.559 -16.653 -4.757 1.00 0.00 H new ATOM 0 HB3 GLU A 657 13.446 -18.127 -5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 657 15.208 -17.014 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 657 14.202 -15.683 -6.668 1.00 0.00 H new ATOM 1287 N PRO A 658 12.537 -18.092 -9.157 1.00 0.00 N ATOM 1288 CA PRO A 658 13.013 -18.892 -10.288 1.00 0.00 C ATOM 1289 C PRO A 658 14.533 -18.865 -10.458 1.00 0.00 C ATOM 1290 O PRO A 658 15.101 -19.786 -11.042 1.00 0.00 O ATOM 1291 CB PRO A 658 12.322 -18.340 -11.540 1.00 0.00 C ATOM 1292 CG PRO A 658 11.723 -17.007 -11.110 1.00 0.00 C ATOM 1293 CD PRO A 658 11.479 -17.216 -9.621 1.00 0.00 C ATOM 0 HA PRO A 658 12.766 -19.939 -10.111 1.00 0.00 H new ATOM 0 HB2 PRO A 658 13.032 -18.208 -12.356 1.00 0.00 H new ATOM 0 HB3 PRO A 658 11.550 -19.022 -11.897 1.00 0.00 H new ATOM 0 HG2 PRO A 658 12.405 -16.177 -11.296 1.00 0.00 H new ATOM 0 HG3 PRO A 658 10.799 -16.786 -11.645 1.00 0.00 H new ATOM 0 HD2 PRO A 658 11.497 -16.266 -9.086 1.00 0.00 H new ATOM 0 HD3 PRO A 658 10.500 -17.661 -9.446 1.00 0.00 H new ATOM 1301 N ALA A 659 15.188 -17.821 -9.949 1.00 0.00 N ATOM 1302 CA ALA A 659 16.624 -17.748 -9.775 1.00 0.00 C ATOM 1303 C ALA A 659 16.891 -16.978 -8.505 1.00 0.00 C ATOM 1304 O ALA A 659 16.181 -16.017 -8.230 1.00 0.00 O ATOM 1305 CB ALA A 659 17.242 -16.990 -10.946 1.00 0.00 C ATOM 0 H ALA A 659 14.708 -16.976 -9.638 1.00 0.00 H new ATOM 0 HA ALA A 659 17.052 -18.749 -9.727 1.00 0.00 H new ATOM 0 HB1 ALA A 659 18.323 -16.935 -10.814 1.00 0.00 H new ATOM 0 HB2 ALA A 659 17.016 -17.511 -11.877 1.00 0.00 H new ATOM 0 HB3 ALA A 659 16.830 -15.982 -10.985 1.00 0.00 H new ATOM 1311 N ARG A 660 17.950 -17.345 -7.779 1.00 0.00 N ATOM 1312 CA ARG A 660 18.414 -16.563 -6.649 1.00 0.00 C ATOM 1313 C ARG A 660 18.683 -15.148 -7.131 1.00 0.00 C ATOM 1314 O ARG A 660 19.594 -14.927 -7.929 1.00 0.00 O ATOM 1315 CB ARG A 660 19.659 -17.188 -6.006 1.00 0.00 C ATOM 1316 CG ARG A 660 19.259 -18.009 -4.777 1.00 0.00 C ATOM 1317 CD ARG A 660 20.411 -18.930 -4.357 1.00 0.00 C ATOM 1318 NE ARG A 660 20.092 -19.693 -3.138 1.00 0.00 N ATOM 1319 CZ ARG A 660 20.915 -20.551 -2.516 1.00 0.00 C ATOM 1320 NH1 ARG A 660 22.139 -20.785 -2.993 1.00 0.00 N ATOM 1321 NH2 ARG A 660 20.510 -21.177 -1.410 1.00 0.00 N ATOM 0 H ARG A 660 18.499 -18.185 -7.962 1.00 0.00 H new ATOM 0 HA ARG A 660 17.648 -16.546 -5.873 1.00 0.00 H new ATOM 0 HB2 ARG A 660 20.170 -17.825 -6.728 1.00 0.00 H new ATOM 0 HB3 ARG A 660 20.361 -16.406 -5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 660 18.998 -17.343 -3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 660 18.372 -18.602 -5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 660 20.636 -19.622 -5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 660 21.308 -18.334 -4.187 1.00 0.00 H new ATOM 0 HE ARG A 660 19.166 -19.557 -2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 660 22.457 -20.310 -3.838 1.00 0.00 H new ATOM 0 HH12 ARG A 660 22.757 -21.439 -2.513 1.00 0.00 H new ATOM 0 HH21 ARG A 660 19.576 -21.003 -1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 660 21.134 -21.830 -0.936 1.00 0.00 H new ATOM 1335 N GLY A 661 17.847 -14.222 -6.675 1.00 0.00 N ATOM 1336 CA GLY A 661 17.893 -12.832 -7.087 1.00 0.00 C ATOM 1337 C GLY A 661 16.711 -12.373 -7.933 1.00 0.00 C ATOM 1338 O GLY A 661 16.672 -11.187 -8.259 1.00 0.00 O ATOM 0 H GLY A 661 17.110 -14.423 -6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 661 17.948 -12.206 -6.196 1.00 0.00 H new ATOM 0 HA3 GLY A 661 18.811 -12.666 -7.651 1.00 0.00 H new ATOM 1342 N TYR A 662 15.766 -13.256 -8.283 1.00 0.00 N ATOM 1343 CA TYR A 662 14.680 -12.992 -9.219 1.00 0.00 C ATOM 1344 C TYR A 662 13.420 -13.775 -8.827 1.00 0.00 C ATOM 1345 O TYR A 662 13.422 -15.002 -8.916 1.00 0.00 O ATOM 1346 CB TYR A 662 15.164 -13.395 -10.614 1.00 0.00 C ATOM 1347 CG TYR A 662 16.295 -12.547 -11.175 1.00 0.00 C ATOM 1348 CD1 TYR A 662 16.030 -11.258 -11.676 1.00 0.00 C ATOM 1349 CD2 TYR A 662 17.617 -13.037 -11.178 1.00 0.00 C ATOM 1350 CE1 TYR A 662 17.067 -10.477 -12.215 1.00 0.00 C ATOM 1351 CE2 TYR A 662 18.663 -12.257 -11.702 1.00 0.00 C ATOM 1352 CZ TYR A 662 18.389 -10.973 -12.230 1.00 0.00 C ATOM 1353 OH TYR A 662 19.389 -10.206 -12.747 1.00 0.00 O ATOM 0 H TYR A 662 15.741 -14.204 -7.906 1.00 0.00 H new ATOM 0 HA TYR A 662 14.414 -11.935 -9.204 1.00 0.00 H new ATOM 0 HB2 TYR A 662 15.492 -14.434 -10.582 1.00 0.00 H new ATOM 0 HB3 TYR A 662 14.320 -13.348 -11.302 1.00 0.00 H new ATOM 0 HD1 TYR A 662 15.024 -10.867 -11.646 1.00 0.00 H new ATOM 0 HD2 TYR A 662 17.827 -14.017 -10.776 1.00 0.00 H new ATOM 0 HE1 TYR A 662 16.853 -9.498 -12.617 1.00 0.00 H new ATOM 0 HE2 TYR A 662 19.674 -12.637 -11.702 1.00 0.00 H new ATOM 0 HH TYR A 662 20.239 -10.690 -12.682 1.00 0.00 H new ATOM 1363 N LEU A 663 12.366 -13.076 -8.383 1.00 0.00 N ATOM 1364 CA LEU A 663 11.086 -13.613 -7.913 1.00 0.00 C ATOM 1365 C LEU A 663 10.069 -13.829 -9.038 1.00 0.00 C ATOM 1366 O LEU A 663 10.258 -13.418 -10.179 1.00 0.00 O ATOM 1367 CB LEU A 663 10.462 -12.687 -6.846 1.00 0.00 C ATOM 1368 CG LEU A 663 11.302 -12.493 -5.576 1.00 0.00 C ATOM 1369 CD1 LEU A 663 10.551 -11.535 -4.649 1.00 0.00 C ATOM 1370 CD2 LEU A 663 11.577 -13.815 -4.846 1.00 0.00 C ATOM 0 H LEU A 663 12.388 -12.057 -8.341 1.00 0.00 H new ATOM 0 HA LEU A 663 11.316 -14.588 -7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 663 10.282 -11.711 -7.296 1.00 0.00 H new ATOM 0 HB3 LEU A 663 9.490 -13.091 -6.561 1.00 0.00 H new ATOM 0 HG LEU A 663 12.271 -12.085 -5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 663 11.130 -11.382 -3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 663 10.407 -10.579 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 663 9.580 -11.961 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 663 12.175 -13.621 -3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 663 10.632 -14.274 -4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 663 12.120 -14.490 -5.508 1.00 0.00 H new ATOM 1382 N LYS A 664 8.959 -14.474 -8.673 1.00 0.00 N ATOM 1383 CA LYS A 664 7.790 -14.782 -9.488 1.00 0.00 C ATOM 1384 C LYS A 664 6.611 -14.952 -8.542 1.00 0.00 C ATOM 1385 O LYS A 664 6.813 -15.429 -7.429 1.00 0.00 O ATOM 1386 CB LYS A 664 8.124 -16.060 -10.285 1.00 0.00 C ATOM 1387 CG LYS A 664 6.931 -16.940 -10.648 1.00 0.00 C ATOM 1388 CD LYS A 664 7.313 -18.256 -11.336 1.00 0.00 C ATOM 1389 CE LYS A 664 6.120 -19.231 -11.318 1.00 0.00 C ATOM 1390 NZ LYS A 664 4.831 -18.611 -11.705 1.00 0.00 N ATOM 0 H LYS A 664 8.849 -14.821 -7.720 1.00 0.00 H new ATOM 0 HA LYS A 664 7.529 -14.000 -10.201 1.00 0.00 H new ATOM 0 HB2 LYS A 664 8.633 -15.771 -11.205 1.00 0.00 H new ATOM 0 HB3 LYS A 664 8.829 -16.655 -9.704 1.00 0.00 H new ATOM 0 HG2 LYS A 664 6.370 -17.166 -9.741 1.00 0.00 H new ATOM 0 HG3 LYS A 664 6.265 -16.379 -11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 664 7.618 -18.062 -12.364 1.00 0.00 H new ATOM 0 HD3 LYS A 664 8.167 -18.705 -10.829 1.00 0.00 H new ATOM 0 HE2 LYS A 664 6.331 -20.060 -11.994 1.00 0.00 H new ATOM 0 HE3 LYS A 664 6.023 -19.653 -10.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 664 4.050 -19.253 -11.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 664 4.711 -17.712 -11.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 664 4.826 -18.432 -12.729 1.00 0.00 H new ATOM 1404 N ILE A 665 5.394 -14.619 -8.974 1.00 0.00 N ATOM 1405 CA ILE A 665 4.182 -15.021 -8.275 1.00 0.00 C ATOM 1406 C ILE A 665 3.836 -16.430 -8.766 1.00 0.00 C ATOM 1407 O ILE A 665 3.999 -16.709 -9.957 1.00 0.00 O ATOM 1408 CB ILE A 665 3.028 -14.009 -8.487 1.00 0.00 C ATOM 1409 CG1 ILE A 665 3.448 -12.597 -8.019 1.00 0.00 C ATOM 1410 CG2 ILE A 665 1.774 -14.470 -7.717 1.00 0.00 C ATOM 1411 CD1 ILE A 665 2.417 -11.496 -8.284 1.00 0.00 C ATOM 0 H ILE A 665 5.225 -14.066 -9.814 1.00 0.00 H new ATOM 0 HA ILE A 665 4.341 -15.032 -7.197 1.00 0.00 H new ATOM 0 HB ILE A 665 2.798 -13.965 -9.551 1.00 0.00 H new ATOM 0 HG12 ILE A 665 3.654 -12.631 -6.949 1.00 0.00 H new ATOM 0 HG13 ILE A 665 4.381 -12.328 -8.515 1.00 0.00 H new ATOM 0 HG21 ILE A 665 0.968 -13.753 -7.872 1.00 0.00 H new ATOM 0 HG22 ILE A 665 1.463 -15.449 -8.081 1.00 0.00 H new ATOM 0 HG23 ILE A 665 2.003 -14.534 -6.653 1.00 0.00 H new ATOM 0 HD11 ILE A 665 2.801 -10.543 -7.921 1.00 0.00 H new ATOM 0 HD12 ILE A 665 2.226 -11.426 -9.355 1.00 0.00 H new ATOM 0 HD13 ILE A 665 1.489 -11.734 -7.765 1.00 0.00 H new ATOM 1423 N VAL A 666 3.410 -17.322 -7.859 1.00 0.00 N ATOM 1424 CA VAL A 666 3.149 -18.736 -8.156 1.00 0.00 C ATOM 1425 C VAL A 666 2.360 -18.930 -9.458 1.00 0.00 C ATOM 1426 O VAL A 666 2.859 -19.697 -10.320 1.00 0.00 O ATOM 1427 CB VAL A 666 2.520 -19.433 -6.928 1.00 0.00 C ATOM 1428 CG1 VAL A 666 1.081 -18.985 -6.620 1.00 0.00 C ATOM 1429 CG2 VAL A 666 2.565 -20.960 -7.092 1.00 0.00 C ATOM 1430 OXT VAL A 666 1.295 -18.298 -9.620 1.00 0.00 O ATOM 0 H VAL A 666 3.235 -17.076 -6.885 1.00 0.00 H new ATOM 0 HA VAL A 666 4.102 -19.230 -8.346 1.00 0.00 H new ATOM 0 HB VAL A 666 3.127 -19.127 -6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 666 0.713 -19.520 -5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 666 1.068 -17.913 -6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 666 0.441 -19.203 -7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 666 2.118 -21.433 -6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 666 2.008 -21.247 -7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 666 3.601 -21.285 -7.190 1.00 0.00 H new