USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=15 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+ -171:sc= 1.55 (180deg=1.42) USER MOD Single : A 612 LYS NZ :NH3+ -154:sc= 0.815 (180deg=-0.405!) USER MOD Single : A 614 TYR OH : rot 165:sc= 0 USER MOD Single : A 618 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 THR OG1 : rot 180:sc= -0.0549 USER MOD Single : A 625 ASN : amide:sc= -0.569 K(o=-0.57,f=-1.3) USER MOD Single : A 629 THR OG1 : rot 103:sc= 1.26 USER MOD Single : A 631 MET CE :methyl 149:sc= -3.17! (180deg=-4.12!) USER MOD Single : A 632 MET CE :methyl -169:sc= -0.33 (180deg=-0.765) USER MOD Single : A 635 TYR OH : rot 180:sc= 0 USER MOD Single : A 636 ASN : amide:sc= 0.882 K(o=0.88,f=-0.011) USER MOD Single : A 638 SER OG : rot 180:sc= 0.00943 USER MOD Single : A 641 LYS NZ :NH3+ 153:sc= 0.66 (180deg=-1.83!) USER MOD Single : A 650 LYS NZ :NH3+ 159:sc= 1.23 (180deg=1.19) USER MOD Single : A 652 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00783) USER MOD Single : A 662 TYR OH : rot 43:sc= 1.06 USER MOD Single : A 664 LYS NZ :NH3+ -159:sc= 0.416 (180deg=0.247) USER MOD ----------------------------------------------------------------- ATOM 324 N ARG A 601 -4.045 -2.037 1.846 1.00 0.00 N ATOM 325 CA ARG A 601 -2.711 -2.550 1.536 1.00 0.00 C ATOM 326 C ARG A 601 -2.146 -3.250 2.768 1.00 0.00 C ATOM 327 O ARG A 601 -2.693 -3.128 3.861 1.00 0.00 O ATOM 328 CB ARG A 601 -1.803 -1.412 1.024 1.00 0.00 C ATOM 329 CG ARG A 601 -1.593 -0.252 2.013 1.00 0.00 C ATOM 330 CD ARG A 601 -0.539 -0.527 3.107 1.00 0.00 C ATOM 331 NE ARG A 601 -0.736 0.358 4.275 1.00 0.00 N ATOM 332 CZ ARG A 601 -1.802 0.316 5.099 1.00 0.00 C ATOM 333 NH1 ARG A 601 -2.654 -0.707 5.067 1.00 0.00 N ATOM 334 NH2 ARG A 601 -2.029 1.310 5.957 1.00 0.00 N ATOM 0 HA ARG A 601 -2.765 -3.285 0.733 1.00 0.00 H new ATOM 0 HB2 ARG A 601 -0.830 -1.831 0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 601 -2.230 -1.012 0.104 1.00 0.00 H new ATOM 0 HG2 ARG A 601 -1.296 0.636 1.455 1.00 0.00 H new ATOM 0 HG3 ARG A 601 -2.545 -0.023 2.492 1.00 0.00 H new ATOM 0 HD2 ARG A 601 -0.602 -1.569 3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 601 0.460 -0.377 2.699 1.00 0.00 H new ATOM 0 HE ARG A 601 -0.013 1.050 4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 601 -2.505 -1.475 4.412 1.00 0.00 H new ATOM 0 HH12 ARG A 601 -3.456 -0.723 5.698 1.00 0.00 H new ATOM 0 HH21 ARG A 601 -1.395 2.108 5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 601 -2.837 1.273 6.578 1.00 0.00 H new ATOM 348 N ASP A 602 -0.990 -3.891 2.638 1.00 0.00 N ATOM 349 CA ASP A 602 -0.339 -4.679 3.682 1.00 0.00 C ATOM 350 C ASP A 602 1.125 -4.783 3.274 1.00 0.00 C ATOM 351 O ASP A 602 1.358 -4.885 2.077 1.00 0.00 O ATOM 352 CB ASP A 602 -1.061 -6.035 3.663 1.00 0.00 C ATOM 353 CG ASP A 602 -0.383 -7.234 4.314 1.00 0.00 C ATOM 354 OD1 ASP A 602 0.710 -7.087 4.905 1.00 0.00 O ATOM 355 OD2 ASP A 602 -0.945 -8.332 4.096 1.00 0.00 O ATOM 0 H ASP A 602 -0.458 -3.876 1.768 1.00 0.00 H new ATOM 0 HA ASP A 602 -0.385 -4.263 4.688 1.00 0.00 H new ATOM 0 HB2 ASP A 602 -2.029 -5.901 4.145 1.00 0.00 H new ATOM 0 HB3 ASP A 602 -1.256 -6.291 2.622 1.00 0.00 H new ATOM 360 N LYS A 603 2.106 -4.784 4.191 1.00 0.00 N ATOM 361 CA LYS A 603 3.525 -4.943 3.831 1.00 0.00 C ATOM 362 C LYS A 603 3.703 -6.152 2.898 1.00 0.00 C ATOM 363 O LYS A 603 4.403 -6.041 1.891 1.00 0.00 O ATOM 364 CB LYS A 603 4.411 -5.091 5.090 1.00 0.00 C ATOM 365 CG LYS A 603 5.551 -4.070 5.265 1.00 0.00 C ATOM 366 CD LYS A 603 5.146 -2.598 5.464 1.00 0.00 C ATOM 367 CE LYS A 603 6.333 -1.811 6.060 1.00 0.00 C ATOM 368 NZ LYS A 603 6.356 -0.360 5.721 1.00 0.00 N ATOM 0 H LYS A 603 1.941 -4.676 5.192 1.00 0.00 H new ATOM 0 HA LYS A 603 3.845 -4.043 3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 603 3.766 -5.033 5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 603 4.848 -6.089 5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 603 6.151 -4.375 6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 603 6.196 -4.128 4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 603 4.848 -2.160 4.511 1.00 0.00 H new ATOM 0 HD3 LYS A 603 4.284 -2.534 6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 603 6.312 -1.916 7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 603 7.262 -2.265 5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 7.258 0.055 6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 6.256 -0.242 4.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 5.570 0.122 6.203 1.00 0.00 H new ATOM 382 N PHE A 604 3.020 -7.271 3.182 1.00 0.00 N ATOM 383 CA PHE A 604 3.039 -8.462 2.335 1.00 0.00 C ATOM 384 C PHE A 604 2.547 -8.152 0.916 1.00 0.00 C ATOM 385 O PHE A 604 3.121 -8.625 -0.063 1.00 0.00 O ATOM 386 CB PHE A 604 2.152 -9.545 2.971 1.00 0.00 C ATOM 387 CG PHE A 604 2.594 -10.052 4.338 1.00 0.00 C ATOM 388 CD1 PHE A 604 3.926 -10.450 4.563 1.00 0.00 C ATOM 389 CD2 PHE A 604 1.670 -10.129 5.399 1.00 0.00 C ATOM 390 CE1 PHE A 604 4.328 -10.900 5.831 1.00 0.00 C ATOM 391 CE2 PHE A 604 2.072 -10.582 6.668 1.00 0.00 C ATOM 392 CZ PHE A 604 3.405 -10.966 6.886 1.00 0.00 C ATOM 0 H PHE A 604 2.436 -7.371 4.013 1.00 0.00 H new ATOM 0 HA PHE A 604 4.067 -8.815 2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 604 1.140 -9.151 3.062 1.00 0.00 H new ATOM 0 HB3 PHE A 604 2.104 -10.394 2.289 1.00 0.00 H new ATOM 0 HD1 PHE A 604 4.642 -10.409 3.756 1.00 0.00 H new ATOM 0 HD2 PHE A 604 0.643 -9.837 5.236 1.00 0.00 H new ATOM 0 HE1 PHE A 604 5.353 -11.197 5.995 1.00 0.00 H new ATOM 0 HE2 PHE A 604 1.356 -10.635 7.475 1.00 0.00 H new ATOM 0 HZ PHE A 604 3.718 -11.310 7.861 1.00 0.00 H new ATOM 402 N ARG A 605 1.488 -7.345 0.803 1.00 0.00 N ATOM 403 CA ARG A 605 0.933 -6.895 -0.465 1.00 0.00 C ATOM 404 C ARG A 605 1.893 -5.912 -1.132 1.00 0.00 C ATOM 405 O ARG A 605 2.159 -6.075 -2.314 1.00 0.00 O ATOM 406 CB ARG A 605 -0.480 -6.305 -0.263 1.00 0.00 C ATOM 407 CG ARG A 605 -1.581 -7.381 -0.350 1.00 0.00 C ATOM 408 CD ARG A 605 -1.709 -8.239 0.922 1.00 0.00 C ATOM 409 NE ARG A 605 -2.220 -9.586 0.641 1.00 0.00 N ATOM 410 CZ ARG A 605 -2.300 -10.589 1.530 1.00 0.00 C ATOM 411 NH1 ARG A 605 -1.928 -10.438 2.803 1.00 0.00 N ATOM 412 NH2 ARG A 605 -2.766 -11.773 1.128 1.00 0.00 N ATOM 0 H ARG A 605 0.985 -6.981 1.613 1.00 0.00 H new ATOM 0 HA ARG A 605 0.820 -7.746 -1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -0.531 -5.814 0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -0.663 -5.539 -1.017 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.537 -6.895 -0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -1.373 -8.033 -1.198 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.734 -8.317 1.404 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -2.374 -7.741 1.627 1.00 0.00 H new ATOM 0 HE ARG A 605 -2.541 -9.776 -0.308 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -1.570 -9.539 3.126 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -2.002 -11.221 3.452 1.00 0.00 H new ATOM 0 HH21 ARG A 605 -3.055 -11.905 0.159 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -2.834 -12.546 1.790 1.00 0.00 H new ATOM 426 N LEU A 606 2.474 -4.951 -0.406 1.00 0.00 N ATOM 427 CA LEU A 606 3.429 -3.999 -0.950 1.00 0.00 C ATOM 428 C LEU A 606 4.592 -4.765 -1.584 1.00 0.00 C ATOM 429 O LEU A 606 5.001 -4.414 -2.688 1.00 0.00 O ATOM 430 CB LEU A 606 3.894 -3.008 0.138 1.00 0.00 C ATOM 431 CG LEU A 606 2.775 -2.171 0.807 1.00 0.00 C ATOM 432 CD1 LEU A 606 3.354 -1.214 1.854 1.00 0.00 C ATOM 433 CD2 LEU A 606 1.914 -1.407 -0.202 1.00 0.00 C ATOM 0 H LEU A 606 2.287 -4.817 0.588 1.00 0.00 H new ATOM 0 HA LEU A 606 2.956 -3.399 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 606 4.417 -3.568 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 606 4.618 -2.324 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 606 2.118 -2.884 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 606 2.547 -0.639 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 606 3.869 -1.787 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 606 4.059 -0.534 1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 606 1.149 -0.840 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 606 2.542 -0.723 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 606 1.437 -2.113 -0.882 1.00 0.00 H new ATOM 445 N LEU A 607 5.060 -5.857 -0.951 1.00 0.00 N ATOM 446 CA LEU A 607 6.048 -6.717 -1.589 1.00 0.00 C ATOM 447 C LEU A 607 5.460 -7.407 -2.831 1.00 0.00 C ATOM 448 O LEU A 607 6.070 -7.361 -3.897 1.00 0.00 O ATOM 449 CB LEU A 607 6.674 -7.749 -0.622 1.00 0.00 C ATOM 450 CG LEU A 607 7.752 -8.625 -1.309 1.00 0.00 C ATOM 451 CD1 LEU A 607 9.155 -8.164 -0.930 1.00 0.00 C ATOM 452 CD2 LEU A 607 7.576 -10.104 -0.943 1.00 0.00 C ATOM 0 H LEU A 607 4.771 -6.152 -0.018 1.00 0.00 H new ATOM 0 HA LEU A 607 6.862 -6.065 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 607 7.120 -7.226 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 607 5.889 -8.391 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 607 7.625 -8.513 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 607 9.892 -8.796 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 607 9.295 -7.129 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 607 9.283 -8.237 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 607 8.346 -10.696 -1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 607 7.665 -10.225 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 607 6.592 -10.444 -1.266 1.00 0.00 H new ATOM 464 N LEU A 608 4.309 -8.082 -2.709 1.00 0.00 N ATOM 465 CA LEU A 608 3.798 -8.976 -3.746 1.00 0.00 C ATOM 466 C LEU A 608 3.480 -8.199 -5.018 1.00 0.00 C ATOM 467 O LEU A 608 3.678 -8.691 -6.126 1.00 0.00 O ATOM 468 CB LEU A 608 2.530 -9.655 -3.197 1.00 0.00 C ATOM 469 CG LEU A 608 1.772 -10.549 -4.197 1.00 0.00 C ATOM 470 CD1 LEU A 608 2.587 -11.789 -4.575 1.00 0.00 C ATOM 471 CD2 LEU A 608 0.435 -10.981 -3.581 1.00 0.00 C ATOM 0 H LEU A 608 3.709 -8.021 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 608 4.549 -9.724 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 608 2.807 -10.259 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 608 1.850 -8.882 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 608 1.599 -9.971 -5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 608 2.020 -12.395 -5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 608 3.527 -11.481 -5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 608 2.795 -12.375 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 608 -0.103 -11.614 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 608 0.621 -11.538 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 608 -0.164 -10.099 -3.355 1.00 0.00 H new ATOM 483 N GLU A 609 2.990 -6.978 -4.854 1.00 0.00 N ATOM 484 CA GLU A 609 2.568 -6.133 -5.941 1.00 0.00 C ATOM 485 C GLU A 609 3.800 -5.541 -6.641 1.00 0.00 C ATOM 486 O GLU A 609 3.773 -5.404 -7.861 1.00 0.00 O ATOM 487 CB GLU A 609 1.544 -5.129 -5.400 1.00 0.00 C ATOM 488 CG GLU A 609 0.331 -5.856 -4.764 1.00 0.00 C ATOM 489 CD GLU A 609 -0.594 -6.540 -5.775 1.00 0.00 C ATOM 490 OE1 GLU A 609 -1.240 -5.861 -6.604 1.00 0.00 O ATOM 491 OE2 GLU A 609 -0.663 -7.788 -5.773 1.00 0.00 O ATOM 0 H GLU A 609 2.876 -6.546 -3.937 1.00 0.00 H new ATOM 0 HA GLU A 609 2.052 -6.681 -6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 609 2.017 -4.487 -4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 609 1.202 -4.483 -6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 609 0.698 -6.604 -4.061 1.00 0.00 H new ATOM 0 HG3 GLU A 609 -0.249 -5.135 -4.188 1.00 0.00 H new ATOM 498 N LEU A 610 4.937 -5.365 -5.943 1.00 0.00 N ATOM 499 CA LEU A 610 6.204 -5.165 -6.646 1.00 0.00 C ATOM 500 C LEU A 610 6.555 -6.377 -7.495 1.00 0.00 C ATOM 501 O LEU A 610 7.053 -6.200 -8.601 1.00 0.00 O ATOM 502 CB LEU A 610 7.396 -4.866 -5.721 1.00 0.00 C ATOM 503 CG LEU A 610 7.785 -3.385 -5.647 1.00 0.00 C ATOM 504 CD1 LEU A 610 6.928 -2.643 -4.631 1.00 0.00 C ATOM 505 CD2 LEU A 610 9.249 -3.267 -5.221 1.00 0.00 C ATOM 0 H LEU A 610 5.000 -5.358 -4.925 1.00 0.00 H new ATOM 0 HA LEU A 610 6.038 -4.286 -7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 610 7.158 -5.217 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 610 8.258 -5.439 -6.063 1.00 0.00 H new ATOM 0 HG LEU A 610 7.631 -2.944 -6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 610 7.226 -1.595 -4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 610 5.879 -2.714 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 610 7.064 -3.088 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 610 9.529 -2.215 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 610 9.381 -3.728 -4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 610 9.882 -3.774 -5.949 1.00 0.00 H new ATOM 517 N ILE A 611 6.329 -7.601 -7.004 1.00 0.00 N ATOM 518 CA ILE A 611 6.701 -8.792 -7.764 1.00 0.00 C ATOM 519 C ILE A 611 5.947 -8.790 -9.103 1.00 0.00 C ATOM 520 O ILE A 611 6.580 -9.032 -10.127 1.00 0.00 O ATOM 521 CB ILE A 611 6.557 -10.100 -6.943 1.00 0.00 C ATOM 522 CG1 ILE A 611 7.428 -10.019 -5.668 1.00 0.00 C ATOM 523 CG2 ILE A 611 7.023 -11.328 -7.753 1.00 0.00 C ATOM 524 CD1 ILE A 611 7.204 -11.126 -4.646 1.00 0.00 C ATOM 0 H ILE A 611 5.898 -7.788 -6.099 1.00 0.00 H new ATOM 0 HA ILE A 611 7.767 -8.758 -7.991 1.00 0.00 H new ATOM 0 HB ILE A 611 5.502 -10.210 -6.690 1.00 0.00 H new ATOM 0 HG12 ILE A 611 8.477 -10.030 -5.965 1.00 0.00 H new ATOM 0 HG13 ILE A 611 7.244 -9.060 -5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 611 6.909 -12.228 -7.148 1.00 0.00 H new ATOM 0 HG22 ILE A 611 6.419 -11.419 -8.656 1.00 0.00 H new ATOM 0 HG23 ILE A 611 8.071 -11.206 -8.028 1.00 0.00 H new ATOM 0 HD11 ILE A 611 7.865 -10.973 -3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.167 -11.107 -4.310 1.00 0.00 H new ATOM 0 HD13 ILE A 611 7.419 -12.092 -5.103 1.00 0.00 H new ATOM 536 N LYS A 612 4.653 -8.433 -9.156 1.00 0.00 N ATOM 537 CA LYS A 612 3.928 -8.451 -10.436 1.00 0.00 C ATOM 538 C LYS A 612 4.331 -7.244 -11.272 1.00 0.00 C ATOM 539 O LYS A 612 4.548 -7.390 -12.475 1.00 0.00 O ATOM 540 CB LYS A 612 2.391 -8.527 -10.301 1.00 0.00 C ATOM 541 CG LYS A 612 1.815 -7.658 -9.181 1.00 0.00 C ATOM 542 CD LYS A 612 0.331 -7.315 -9.314 1.00 0.00 C ATOM 543 CE LYS A 612 -0.561 -8.426 -8.756 1.00 0.00 C ATOM 544 NZ LYS A 612 -1.856 -7.876 -8.309 1.00 0.00 N ATOM 0 H LYS A 612 4.101 -8.136 -8.352 1.00 0.00 H new ATOM 0 HA LYS A 612 4.218 -9.375 -10.935 1.00 0.00 H new ATOM 0 HB2 LYS A 612 1.939 -8.227 -11.247 1.00 0.00 H new ATOM 0 HB3 LYS A 612 2.104 -9.564 -10.125 1.00 0.00 H new ATOM 0 HG2 LYS A 612 1.968 -8.171 -8.231 1.00 0.00 H new ATOM 0 HG3 LYS A 612 2.383 -6.729 -9.137 1.00 0.00 H new ATOM 0 HD2 LYS A 612 0.124 -6.384 -8.787 1.00 0.00 H new ATOM 0 HD3 LYS A 612 0.089 -7.147 -10.364 1.00 0.00 H new ATOM 0 HE2 LYS A 612 -0.726 -9.185 -9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 612 -0.061 -8.917 -7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 612 -2.256 -8.487 -7.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 612 -1.714 -6.919 -7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 612 -2.512 -7.834 -9.115 1.00 0.00 H new ATOM 558 N GLU A 613 4.466 -6.070 -10.645 1.00 0.00 N ATOM 559 CA GLU A 613 4.731 -4.828 -11.353 1.00 0.00 C ATOM 560 C GLU A 613 6.194 -4.718 -11.803 1.00 0.00 C ATOM 561 O GLU A 613 6.547 -3.758 -12.484 1.00 0.00 O ATOM 562 CB GLU A 613 4.173 -3.631 -10.566 1.00 0.00 C ATOM 563 CG GLU A 613 5.176 -3.017 -9.592 1.00 0.00 C ATOM 564 CD GLU A 613 4.522 -2.141 -8.507 1.00 0.00 C ATOM 565 OE1 GLU A 613 3.472 -1.521 -8.796 1.00 0.00 O ATOM 566 OE2 GLU A 613 5.096 -2.064 -7.397 1.00 0.00 O ATOM 0 H GLU A 613 4.393 -5.962 -9.633 1.00 0.00 H new ATOM 0 HA GLU A 613 4.185 -4.823 -12.297 1.00 0.00 H new ATOM 0 HB2 GLU A 613 3.847 -2.865 -11.269 1.00 0.00 H new ATOM 0 HB3 GLU A 613 3.291 -3.951 -10.012 1.00 0.00 H new ATOM 0 HG2 GLU A 613 5.740 -3.817 -9.111 1.00 0.00 H new ATOM 0 HG3 GLU A 613 5.892 -2.415 -10.152 1.00 0.00 H new ATOM 573 N TYR A 614 7.016 -5.732 -11.491 1.00 0.00 N ATOM 574 CA TYR A 614 8.348 -5.893 -12.032 1.00 0.00 C ATOM 575 C TYR A 614 8.371 -7.103 -12.945 1.00 0.00 C ATOM 576 O TYR A 614 8.916 -6.978 -14.035 1.00 0.00 O ATOM 577 CB TYR A 614 9.423 -5.974 -10.941 1.00 0.00 C ATOM 578 CG TYR A 614 9.955 -4.608 -10.557 1.00 0.00 C ATOM 579 CD1 TYR A 614 10.828 -3.950 -11.443 1.00 0.00 C ATOM 580 CD2 TYR A 614 9.541 -3.968 -9.373 1.00 0.00 C ATOM 581 CE1 TYR A 614 11.284 -2.651 -11.164 1.00 0.00 C ATOM 582 CE2 TYR A 614 9.995 -2.667 -9.082 1.00 0.00 C ATOM 583 CZ TYR A 614 10.858 -2.001 -9.983 1.00 0.00 C ATOM 584 OH TYR A 614 11.258 -0.727 -9.721 1.00 0.00 O ATOM 0 H TYR A 614 6.754 -6.472 -10.840 1.00 0.00 H new ATOM 0 HA TYR A 614 8.594 -5.004 -12.613 1.00 0.00 H new ATOM 0 HB2 TYR A 614 9.007 -6.461 -10.059 1.00 0.00 H new ATOM 0 HB3 TYR A 614 10.246 -6.597 -11.290 1.00 0.00 H new ATOM 0 HD1 TYR A 614 11.150 -4.448 -12.345 1.00 0.00 H new ATOM 0 HD2 TYR A 614 8.876 -4.474 -8.689 1.00 0.00 H new ATOM 0 HE1 TYR A 614 11.956 -2.152 -11.847 1.00 0.00 H new ATOM 0 HE2 TYR A 614 9.684 -2.178 -8.171 1.00 0.00 H new ATOM 0 HH TYR A 614 10.698 -0.348 -9.012 1.00 0.00 H new ATOM 594 N GLU A 615 7.737 -8.227 -12.577 1.00 0.00 N ATOM 595 CA GLU A 615 7.636 -9.364 -13.478 1.00 0.00 C ATOM 596 C GLU A 615 7.090 -8.935 -14.843 1.00 0.00 C ATOM 597 O GLU A 615 7.745 -9.203 -15.851 1.00 0.00 O ATOM 598 CB GLU A 615 6.843 -10.536 -12.865 1.00 0.00 C ATOM 599 CG GLU A 615 7.743 -11.471 -12.029 1.00 0.00 C ATOM 600 CD GLU A 615 7.216 -12.901 -11.853 1.00 0.00 C ATOM 601 OE1 GLU A 615 6.315 -13.119 -11.009 1.00 0.00 O ATOM 602 OE2 GLU A 615 7.813 -13.803 -12.494 1.00 0.00 O ATOM 0 H GLU A 615 7.293 -8.364 -11.669 1.00 0.00 H new ATOM 0 HA GLU A 615 8.645 -9.744 -13.636 1.00 0.00 H new ATOM 0 HB2 GLU A 615 6.045 -10.143 -12.235 1.00 0.00 H new ATOM 0 HB3 GLU A 615 6.368 -11.108 -13.662 1.00 0.00 H new ATOM 0 HG2 GLU A 615 8.725 -11.518 -12.499 1.00 0.00 H new ATOM 0 HG3 GLU A 615 7.882 -11.028 -11.043 1.00 0.00 H new ATOM 609 N ASP A 616 5.962 -8.222 -14.899 1.00 0.00 N ATOM 610 CA ASP A 616 5.327 -7.876 -16.169 1.00 0.00 C ATOM 611 C ASP A 616 6.245 -7.002 -17.026 1.00 0.00 C ATOM 612 O ASP A 616 6.336 -7.190 -18.237 1.00 0.00 O ATOM 613 CB ASP A 616 3.987 -7.185 -15.891 1.00 0.00 C ATOM 614 CG ASP A 616 3.185 -6.967 -17.174 1.00 0.00 C ATOM 615 OD1 ASP A 616 2.761 -7.989 -17.758 1.00 0.00 O ATOM 616 OD2 ASP A 616 2.965 -5.787 -17.525 1.00 0.00 O ATOM 0 H ASP A 616 5.470 -7.873 -14.076 1.00 0.00 H new ATOM 0 HA ASP A 616 5.141 -8.787 -16.738 1.00 0.00 H new ATOM 0 HB2 ASP A 616 3.404 -7.789 -15.196 1.00 0.00 H new ATOM 0 HB3 ASP A 616 4.166 -6.225 -15.407 1.00 0.00 H new ATOM 621 N ASP A 617 7.003 -6.120 -16.371 1.00 0.00 N ATOM 622 CA ASP A 617 7.962 -5.225 -17.000 1.00 0.00 C ATOM 623 C ASP A 617 9.183 -5.967 -17.535 1.00 0.00 C ATOM 624 O ASP A 617 9.671 -5.687 -18.628 1.00 0.00 O ATOM 625 CB ASP A 617 8.395 -4.200 -15.957 1.00 0.00 C ATOM 626 CG ASP A 617 9.411 -3.192 -16.496 1.00 0.00 C ATOM 627 OD1 ASP A 617 9.001 -2.341 -17.316 1.00 0.00 O ATOM 628 OD2 ASP A 617 10.581 -3.272 -16.055 1.00 0.00 O ATOM 0 H ASP A 617 6.961 -6.010 -15.358 1.00 0.00 H new ATOM 0 HA ASP A 617 7.487 -4.745 -17.856 1.00 0.00 H new ATOM 0 HB2 ASP A 617 7.517 -3.665 -15.595 1.00 0.00 H new ATOM 0 HB3 ASP A 617 8.826 -4.720 -15.102 1.00 0.00 H new ATOM 633 N TYR A 618 9.656 -6.949 -16.767 1.00 0.00 N ATOM 634 CA TYR A 618 10.791 -7.794 -17.117 1.00 0.00 C ATOM 635 C TYR A 618 10.355 -8.919 -18.053 1.00 0.00 C ATOM 636 O TYR A 618 11.201 -9.664 -18.548 1.00 0.00 O ATOM 637 CB TYR A 618 11.411 -8.312 -15.811 1.00 0.00 C ATOM 638 CG TYR A 618 12.560 -7.464 -15.301 1.00 0.00 C ATOM 639 CD1 TYR A 618 12.304 -6.286 -14.575 1.00 0.00 C ATOM 640 CD2 TYR A 618 13.888 -7.847 -15.571 1.00 0.00 C ATOM 641 CE1 TYR A 618 13.371 -5.501 -14.102 1.00 0.00 C ATOM 642 CE2 TYR A 618 14.961 -7.070 -15.099 1.00 0.00 C ATOM 643 CZ TYR A 618 14.704 -5.892 -14.358 1.00 0.00 C ATOM 644 OH TYR A 618 15.732 -5.129 -13.889 1.00 0.00 O ATOM 0 H TYR A 618 9.248 -7.182 -15.862 1.00 0.00 H new ATOM 0 HA TYR A 618 11.546 -7.229 -17.663 1.00 0.00 H new ATOM 0 HB2 TYR A 618 10.637 -8.357 -15.045 1.00 0.00 H new ATOM 0 HB3 TYR A 618 11.765 -9.331 -15.967 1.00 0.00 H new ATOM 0 HD1 TYR A 618 11.286 -5.984 -14.380 1.00 0.00 H new ATOM 0 HD2 TYR A 618 14.083 -8.742 -16.143 1.00 0.00 H new ATOM 0 HE1 TYR A 618 13.171 -4.599 -13.543 1.00 0.00 H new ATOM 0 HE2 TYR A 618 15.978 -7.371 -15.301 1.00 0.00 H new ATOM 0 HH TYR A 618 16.585 -5.535 -14.149 1.00 0.00 H new ATOM 654 N GLY A 619 9.042 -9.058 -18.282 1.00 0.00 N ATOM 655 CA GLY A 619 8.491 -10.163 -19.063 1.00 0.00 C ATOM 656 C GLY A 619 8.618 -11.495 -18.315 1.00 0.00 C ATOM 657 O GLY A 619 8.583 -12.561 -18.926 1.00 0.00 O ATOM 0 H GLY A 619 8.338 -8.408 -17.931 1.00 0.00 H new ATOM 0 HA2 GLY A 619 7.442 -9.967 -19.284 1.00 0.00 H new ATOM 0 HA3 GLY A 619 9.011 -10.230 -20.019 1.00 0.00 H new ATOM 661 N GLY A 620 8.779 -11.414 -16.993 1.00 0.00 N ATOM 662 CA GLY A 620 8.811 -12.489 -16.028 1.00 0.00 C ATOM 663 C GLY A 620 10.101 -12.499 -15.218 1.00 0.00 C ATOM 664 O GLY A 620 10.733 -13.547 -15.109 1.00 0.00 O ATOM 0 H GLY A 620 8.900 -10.508 -16.541 1.00 0.00 H new ATOM 0 HA2 GLY A 620 7.961 -12.394 -15.352 1.00 0.00 H new ATOM 0 HA3 GLY A 620 8.702 -13.442 -16.545 1.00 0.00 H new ATOM 668 N ARG A 621 10.506 -11.354 -14.640 1.00 0.00 N ATOM 669 CA ARG A 621 11.437 -11.341 -13.509 1.00 0.00 C ATOM 670 C ARG A 621 11.095 -10.215 -12.538 1.00 0.00 C ATOM 671 O ARG A 621 10.985 -9.066 -12.928 1.00 0.00 O ATOM 672 CB ARG A 621 12.928 -11.173 -13.903 1.00 0.00 C ATOM 673 CG ARG A 621 13.488 -11.992 -15.076 1.00 0.00 C ATOM 674 CD ARG A 621 13.883 -13.427 -14.753 1.00 0.00 C ATOM 675 NE ARG A 621 15.173 -13.503 -14.042 1.00 0.00 N ATOM 676 CZ ARG A 621 15.998 -14.559 -14.026 1.00 0.00 C ATOM 677 NH1 ARG A 621 15.663 -15.690 -14.651 1.00 0.00 N ATOM 678 NH2 ARG A 621 17.162 -14.486 -13.380 1.00 0.00 N ATOM 0 H ARG A 621 10.200 -10.429 -14.941 1.00 0.00 H new ATOM 0 HA ARG A 621 11.318 -12.323 -13.052 1.00 0.00 H new ATOM 0 HB2 ARG A 621 13.091 -10.120 -14.131 1.00 0.00 H new ATOM 0 HB3 ARG A 621 13.528 -11.406 -13.024 1.00 0.00 H new ATOM 0 HG2 ARG A 621 12.742 -12.010 -15.871 1.00 0.00 H new ATOM 0 HG3 ARG A 621 14.362 -11.475 -15.471 1.00 0.00 H new ATOM 0 HD2 ARG A 621 13.106 -13.887 -14.143 1.00 0.00 H new ATOM 0 HD3 ARG A 621 13.945 -14.002 -15.677 1.00 0.00 H new ATOM 0 HE ARG A 621 15.463 -12.679 -13.516 1.00 0.00 H new ATOM 0 HH11 ARG A 621 14.773 -15.755 -15.146 1.00 0.00 H new ATOM 0 HH12 ARG A 621 16.297 -16.489 -14.634 1.00 0.00 H new ATOM 0 HH21 ARG A 621 17.425 -13.626 -12.898 1.00 0.00 H new ATOM 0 HH22 ARG A 621 17.790 -15.290 -13.368 1.00 0.00 H new ATOM 692 N ALA A 622 11.033 -10.522 -11.252 1.00 0.00 N ATOM 693 CA ALA A 622 11.146 -9.523 -10.200 1.00 0.00 C ATOM 694 C ALA A 622 12.484 -9.735 -9.482 1.00 0.00 C ATOM 695 O ALA A 622 12.605 -10.663 -8.676 1.00 0.00 O ATOM 696 CB ALA A 622 9.956 -9.536 -9.251 1.00 0.00 C ATOM 0 H ALA A 622 10.903 -11.473 -10.907 1.00 0.00 H new ATOM 0 HA ALA A 622 11.130 -8.526 -10.641 1.00 0.00 H new ATOM 0 HB1 ALA A 622 10.092 -8.771 -8.486 1.00 0.00 H new ATOM 0 HB2 ALA A 622 9.043 -9.332 -9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.880 -10.514 -8.777 1.00 0.00 H new ATOM 702 N PRO A 623 13.518 -8.944 -9.815 1.00 0.00 N ATOM 703 CA PRO A 623 14.830 -9.060 -9.195 1.00 0.00 C ATOM 704 C PRO A 623 14.781 -8.671 -7.709 1.00 0.00 C ATOM 705 O PRO A 623 14.317 -7.584 -7.350 1.00 0.00 O ATOM 706 CB PRO A 623 15.756 -8.162 -10.015 1.00 0.00 C ATOM 707 CG PRO A 623 14.804 -7.151 -10.646 1.00 0.00 C ATOM 708 CD PRO A 623 13.532 -7.940 -10.869 1.00 0.00 C ATOM 0 HA PRO A 623 15.195 -10.087 -9.200 1.00 0.00 H new ATOM 0 HB2 PRO A 623 16.501 -7.674 -9.387 1.00 0.00 H new ATOM 0 HB3 PRO A 623 16.299 -8.729 -10.772 1.00 0.00 H new ATOM 0 HG2 PRO A 623 14.635 -6.297 -9.989 1.00 0.00 H new ATOM 0 HG3 PRO A 623 15.201 -6.759 -11.583 1.00 0.00 H new ATOM 0 HD2 PRO A 623 12.654 -7.297 -10.812 1.00 0.00 H new ATOM 0 HD3 PRO A 623 13.524 -8.404 -11.855 1.00 0.00 H new ATOM 716 N THR A 624 15.273 -9.556 -6.835 1.00 0.00 N ATOM 717 CA THR A 624 15.112 -9.471 -5.386 1.00 0.00 C ATOM 718 C THR A 624 15.829 -8.242 -4.834 1.00 0.00 C ATOM 719 O THR A 624 15.320 -7.568 -3.939 1.00 0.00 O ATOM 720 CB THR A 624 15.652 -10.756 -4.735 1.00 0.00 C ATOM 721 OG1 THR A 624 15.180 -11.885 -5.436 1.00 0.00 O ATOM 722 CG2 THR A 624 15.223 -10.859 -3.267 1.00 0.00 C ATOM 0 H THR A 624 15.809 -10.373 -7.128 1.00 0.00 H new ATOM 0 HA THR A 624 14.053 -9.371 -5.150 1.00 0.00 H new ATOM 0 HB THR A 624 16.741 -10.719 -4.777 1.00 0.00 H new ATOM 0 HG1 THR A 624 15.529 -12.699 -5.017 1.00 0.00 H new ATOM 0 HG21 THR A 624 15.620 -11.778 -2.835 1.00 0.00 H new ATOM 0 HG22 THR A 624 15.608 -10.002 -2.714 1.00 0.00 H new ATOM 0 HG23 THR A 624 14.135 -10.870 -3.206 1.00 0.00 H new ATOM 730 N ASN A 625 16.996 -7.927 -5.406 1.00 0.00 N ATOM 731 CA ASN A 625 17.755 -6.739 -5.045 1.00 0.00 C ATOM 732 C ASN A 625 16.916 -5.480 -5.228 1.00 0.00 C ATOM 733 O ASN A 625 16.930 -4.592 -4.369 1.00 0.00 O ATOM 734 CB ASN A 625 19.066 -6.593 -5.843 1.00 0.00 C ATOM 735 CG ASN A 625 19.051 -7.249 -7.217 1.00 0.00 C ATOM 736 OD1 ASN A 625 18.606 -6.662 -8.190 1.00 0.00 O ATOM 737 ND2 ASN A 625 19.481 -8.500 -7.314 1.00 0.00 N ATOM 0 H ASN A 625 17.436 -8.493 -6.132 1.00 0.00 H new ATOM 0 HA ASN A 625 18.018 -6.863 -3.994 1.00 0.00 H new ATOM 0 HB2 ASN A 625 19.285 -5.532 -5.964 1.00 0.00 H new ATOM 0 HB3 ASN A 625 19.880 -7.022 -5.259 1.00 0.00 H new ATOM 0 HD21 ASN A 625 19.442 -8.984 -8.211 1.00 0.00 H new ATOM 0 HD22 ASN A 625 19.850 -8.978 -6.492 1.00 0.00 H new ATOM 744 N ILE A 626 16.201 -5.401 -6.354 1.00 0.00 N ATOM 745 CA ILE A 626 15.395 -4.243 -6.669 1.00 0.00 C ATOM 746 C ILE A 626 14.192 -4.223 -5.735 1.00 0.00 C ATOM 747 O ILE A 626 13.973 -3.185 -5.128 1.00 0.00 O ATOM 748 CB ILE A 626 14.998 -4.219 -8.154 1.00 0.00 C ATOM 749 CG1 ILE A 626 16.189 -4.423 -9.122 1.00 0.00 C ATOM 750 CG2 ILE A 626 14.297 -2.896 -8.454 1.00 0.00 C ATOM 751 CD1 ILE A 626 17.325 -3.397 -9.011 1.00 0.00 C ATOM 0 H ILE A 626 16.172 -6.137 -7.060 1.00 0.00 H new ATOM 0 HA ILE A 626 15.973 -3.333 -6.510 1.00 0.00 H new ATOM 0 HB ILE A 626 14.330 -5.064 -8.323 1.00 0.00 H new ATOM 0 HG12 ILE A 626 16.604 -5.416 -8.952 1.00 0.00 H new ATOM 0 HG13 ILE A 626 15.809 -4.407 -10.144 1.00 0.00 H new ATOM 0 HG21 ILE A 626 14.010 -2.866 -9.505 1.00 0.00 H new ATOM 0 HG22 ILE A 626 13.406 -2.807 -7.832 1.00 0.00 H new ATOM 0 HG23 ILE A 626 14.974 -2.069 -8.239 1.00 0.00 H new ATOM 0 HD11 ILE A 626 18.104 -3.637 -9.735 1.00 0.00 H new ATOM 0 HD12 ILE A 626 16.936 -2.400 -9.215 1.00 0.00 H new ATOM 0 HD13 ILE A 626 17.743 -3.425 -8.005 1.00 0.00 H new ATOM 763 N LEU A 627 13.474 -5.347 -5.553 1.00 0.00 N ATOM 764 CA LEU A 627 12.366 -5.447 -4.593 1.00 0.00 C ATOM 765 C LEU A 627 12.773 -4.873 -3.240 1.00 0.00 C ATOM 766 O LEU A 627 12.050 -4.042 -2.706 1.00 0.00 O ATOM 767 CB LEU A 627 11.941 -6.919 -4.380 1.00 0.00 C ATOM 768 CG LEU A 627 10.934 -7.478 -5.399 1.00 0.00 C ATOM 769 CD1 LEU A 627 11.302 -8.913 -5.801 1.00 0.00 C ATOM 770 CD2 LEU A 627 9.540 -7.457 -4.784 1.00 0.00 C ATOM 0 H LEU A 627 13.648 -6.210 -6.069 1.00 0.00 H new ATOM 0 HA LEU A 627 11.532 -4.880 -5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 627 12.835 -7.542 -4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 627 11.511 -7.013 -3.383 1.00 0.00 H new ATOM 0 HG LEU A 627 10.957 -6.857 -6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 627 10.575 -9.287 -6.522 1.00 0.00 H new ATOM 0 HD12 LEU A 627 12.296 -8.922 -6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 627 11.297 -9.551 -4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 627 8.820 -7.852 -5.501 1.00 0.00 H new ATOM 0 HD22 LEU A 627 9.530 -8.071 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 627 9.271 -6.432 -4.527 1.00 0.00 H new ATOM 782 N ILE A 628 13.914 -5.302 -2.692 1.00 0.00 N ATOM 783 CA ILE A 628 14.407 -4.839 -1.395 1.00 0.00 C ATOM 784 C ILE A 628 14.616 -3.319 -1.447 1.00 0.00 C ATOM 785 O ILE A 628 13.989 -2.576 -0.681 1.00 0.00 O ATOM 786 CB ILE A 628 15.664 -5.650 -0.988 1.00 0.00 C ATOM 787 CG1 ILE A 628 15.282 -7.114 -0.655 1.00 0.00 C ATOM 788 CG2 ILE A 628 16.363 -5.009 0.221 1.00 0.00 C ATOM 789 CD1 ILE A 628 16.485 -8.064 -0.610 1.00 0.00 C ATOM 0 H ILE A 628 14.524 -5.985 -3.141 1.00 0.00 H new ATOM 0 HA ILE A 628 13.676 -5.019 -0.607 1.00 0.00 H new ATOM 0 HB ILE A 628 16.353 -5.645 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 628 14.773 -7.138 0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 628 14.572 -7.474 -1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 628 17.242 -5.597 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 628 16.668 -3.994 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 628 15.675 -4.982 1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 628 16.144 -9.072 -0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 628 16.981 -8.069 -1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 628 17.186 -7.728 0.154 1.00 0.00 H new ATOM 801 N THR A 629 15.480 -2.876 -2.367 1.00 0.00 N ATOM 802 CA THR A 629 15.887 -1.485 -2.537 1.00 0.00 C ATOM 803 C THR A 629 14.654 -0.583 -2.661 1.00 0.00 C ATOM 804 O THR A 629 14.489 0.363 -1.892 1.00 0.00 O ATOM 805 CB THR A 629 16.814 -1.374 -3.764 1.00 0.00 C ATOM 806 OG1 THR A 629 17.875 -2.307 -3.670 1.00 0.00 O ATOM 807 CG2 THR A 629 17.428 0.022 -3.899 1.00 0.00 C ATOM 0 H THR A 629 15.929 -3.502 -3.036 1.00 0.00 H new ATOM 0 HA THR A 629 16.442 -1.148 -1.662 1.00 0.00 H new ATOM 0 HB THR A 629 16.194 -1.578 -4.637 1.00 0.00 H new ATOM 0 HG1 THR A 629 17.695 -3.068 -4.261 1.00 0.00 H new ATOM 0 HG21 THR A 629 18.073 0.052 -4.777 1.00 0.00 H new ATOM 0 HG22 THR A 629 16.633 0.760 -4.007 1.00 0.00 H new ATOM 0 HG23 THR A 629 18.015 0.249 -3.009 1.00 0.00 H new ATOM 815 N GLU A 630 13.769 -0.911 -3.602 1.00 0.00 N ATOM 816 CA GLU A 630 12.542 -0.189 -3.875 1.00 0.00 C ATOM 817 C GLU A 630 11.608 -0.239 -2.670 1.00 0.00 C ATOM 818 O GLU A 630 11.053 0.791 -2.306 1.00 0.00 O ATOM 819 CB GLU A 630 11.876 -0.785 -5.125 1.00 0.00 C ATOM 820 CG GLU A 630 12.556 -0.347 -6.430 1.00 0.00 C ATOM 821 CD GLU A 630 12.442 1.162 -6.676 1.00 0.00 C ATOM 822 OE1 GLU A 630 11.344 1.640 -7.035 1.00 0.00 O ATOM 823 OE2 GLU A 630 13.435 1.886 -6.439 1.00 0.00 O ATOM 0 H GLU A 630 13.898 -1.717 -4.213 1.00 0.00 H new ATOM 0 HA GLU A 630 12.770 0.860 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 630 11.896 -1.873 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 630 10.828 -0.487 -5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 630 13.609 -0.628 -6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 630 12.108 -0.883 -7.267 1.00 0.00 H new ATOM 830 N MET A 631 11.451 -1.378 -1.990 1.00 0.00 N ATOM 831 CA MET A 631 10.573 -1.446 -0.828 1.00 0.00 C ATOM 832 C MET A 631 11.024 -0.453 0.251 1.00 0.00 C ATOM 833 O MET A 631 10.160 0.229 0.814 1.00 0.00 O ATOM 834 CB MET A 631 10.490 -2.880 -0.295 1.00 0.00 C ATOM 835 CG MET A 631 9.498 -3.759 -1.067 1.00 0.00 C ATOM 836 SD MET A 631 7.761 -3.404 -0.700 1.00 0.00 S ATOM 837 CE MET A 631 7.628 -4.315 0.852 1.00 0.00 C ATOM 0 H MET A 631 11.917 -2.255 -2.224 1.00 0.00 H new ATOM 0 HA MET A 631 9.567 -1.157 -1.132 1.00 0.00 H new ATOM 0 HB2 MET A 631 11.479 -3.335 -0.341 1.00 0.00 H new ATOM 0 HB3 MET A 631 10.200 -2.853 0.755 1.00 0.00 H new ATOM 0 HG2 MET A 631 9.667 -3.628 -2.136 1.00 0.00 H new ATOM 0 HG3 MET A 631 9.701 -4.805 -0.838 1.00 0.00 H new ATOM 0 HE1 MET A 631 6.902 -3.825 1.500 1.00 0.00 H new ATOM 0 HE2 MET A 631 7.303 -5.335 0.648 1.00 0.00 H new ATOM 0 HE3 MET A 631 8.599 -4.336 1.346 1.00 0.00 H new ATOM 847 N MET A 632 12.339 -0.288 0.485 1.00 0.00 N ATOM 848 CA MET A 632 12.829 0.727 1.433 1.00 0.00 C ATOM 849 C MET A 632 12.468 2.151 1.004 1.00 0.00 C ATOM 850 O MET A 632 12.337 3.028 1.863 1.00 0.00 O ATOM 851 CB MET A 632 14.356 0.694 1.632 1.00 0.00 C ATOM 852 CG MET A 632 15.116 -0.581 1.388 1.00 0.00 C ATOM 853 SD MET A 632 16.752 -0.349 2.115 1.00 0.00 S ATOM 854 CE MET A 632 17.380 -1.924 1.599 1.00 0.00 C ATOM 0 H MET A 632 13.072 -0.837 0.037 1.00 0.00 H new ATOM 0 HA MET A 632 12.332 0.468 2.368 1.00 0.00 H new ATOM 0 HB2 MET A 632 14.785 1.457 0.982 1.00 0.00 H new ATOM 0 HB3 MET A 632 14.556 1.000 2.659 1.00 0.00 H new ATOM 0 HG2 MET A 632 14.606 -1.430 1.843 1.00 0.00 H new ATOM 0 HG3 MET A 632 15.192 -0.789 0.321 1.00 0.00 H new ATOM 0 HE1 MET A 632 18.331 -2.117 2.095 1.00 0.00 H new ATOM 0 HE2 MET A 632 16.667 -2.705 1.865 1.00 0.00 H new ATOM 0 HE3 MET A 632 17.528 -1.921 0.519 1.00 0.00 H new ATOM 864 N ASP A 633 12.323 2.378 -0.304 1.00 0.00 N ATOM 865 CA ASP A 633 12.299 3.706 -0.907 1.00 0.00 C ATOM 866 C ASP A 633 10.898 4.133 -1.352 1.00 0.00 C ATOM 867 O ASP A 633 10.655 5.299 -1.664 1.00 0.00 O ATOM 868 CB ASP A 633 13.249 3.705 -2.117 1.00 0.00 C ATOM 869 CG ASP A 633 13.961 5.048 -2.316 1.00 0.00 C ATOM 870 OD1 ASP A 633 14.517 5.569 -1.326 1.00 0.00 O ATOM 871 OD2 ASP A 633 13.937 5.545 -3.471 1.00 0.00 O ATOM 0 H ASP A 633 12.217 1.626 -0.985 1.00 0.00 H new ATOM 0 HA ASP A 633 12.619 4.425 -0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 633 13.994 2.920 -1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 633 12.683 3.462 -3.017 1.00 0.00 H new ATOM 876 N ARG A 634 9.976 3.172 -1.405 1.00 0.00 N ATOM 877 CA ARG A 634 8.637 3.321 -1.967 1.00 0.00 C ATOM 878 C ARG A 634 7.599 2.983 -0.907 1.00 0.00 C ATOM 879 O ARG A 634 6.540 3.604 -0.885 1.00 0.00 O ATOM 880 CB ARG A 634 8.483 2.399 -3.195 1.00 0.00 C ATOM 881 CG ARG A 634 9.588 2.572 -4.251 1.00 0.00 C ATOM 882 CD ARG A 634 9.395 3.749 -5.209 1.00 0.00 C ATOM 883 NE ARG A 634 10.673 3.974 -5.894 1.00 0.00 N ATOM 884 CZ ARG A 634 11.689 4.678 -5.382 1.00 0.00 C ATOM 885 NH1 ARG A 634 11.496 5.632 -4.473 1.00 0.00 N ATOM 886 NH2 ARG A 634 12.946 4.390 -5.695 1.00 0.00 N ATOM 0 H ARG A 634 10.149 2.234 -1.044 1.00 0.00 H new ATOM 0 HA ARG A 634 8.486 4.352 -2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 634 8.475 1.362 -2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 634 7.516 2.590 -3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 634 10.542 2.694 -3.738 1.00 0.00 H new ATOM 0 HG3 ARG A 634 9.656 1.655 -4.836 1.00 0.00 H new ATOM 0 HD2 ARG A 634 8.607 3.531 -5.930 1.00 0.00 H new ATOM 0 HD3 ARG A 634 9.090 4.642 -4.663 1.00 0.00 H new ATOM 0 HE ARG A 634 10.795 3.567 -6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 634 10.553 5.843 -4.148 1.00 0.00 H new ATOM 0 HH12 ARG A 634 12.292 6.151 -4.102 1.00 0.00 H new ATOM 0 HH21 ARG A 634 13.149 3.622 -6.335 1.00 0.00 H new ATOM 0 HH22 ARG A 634 13.709 4.937 -5.296 1.00 0.00 H new ATOM 900 N TYR A 635 7.911 2.037 -0.007 1.00 0.00 N ATOM 901 CA TYR A 635 6.973 1.531 0.987 1.00 0.00 C ATOM 902 C TYR A 635 7.590 1.472 2.391 1.00 0.00 C ATOM 903 O TYR A 635 6.985 0.905 3.309 1.00 0.00 O ATOM 904 CB TYR A 635 6.445 0.188 0.465 1.00 0.00 C ATOM 905 CG TYR A 635 5.533 0.332 -0.753 1.00 0.00 C ATOM 906 CD1 TYR A 635 4.436 1.222 -0.725 1.00 0.00 C ATOM 907 CD2 TYR A 635 5.794 -0.392 -1.935 1.00 0.00 C ATOM 908 CE1 TYR A 635 3.616 1.392 -1.854 1.00 0.00 C ATOM 909 CE2 TYR A 635 4.963 -0.239 -3.062 1.00 0.00 C ATOM 910 CZ TYR A 635 3.873 0.655 -3.030 1.00 0.00 C ATOM 911 OH TYR A 635 3.064 0.803 -4.117 1.00 0.00 O ATOM 0 H TYR A 635 8.832 1.603 0.045 1.00 0.00 H new ATOM 0 HA TYR A 635 6.131 2.211 1.116 1.00 0.00 H new ATOM 0 HB2 TYR A 635 7.289 -0.451 0.205 1.00 0.00 H new ATOM 0 HB3 TYR A 635 5.898 -0.315 1.263 1.00 0.00 H new ATOM 0 HD1 TYR A 635 4.225 1.779 0.176 1.00 0.00 H new ATOM 0 HD2 TYR A 635 6.636 -1.067 -1.976 1.00 0.00 H new ATOM 0 HE1 TYR A 635 2.789 2.086 -1.822 1.00 0.00 H new ATOM 0 HE2 TYR A 635 5.162 -0.810 -3.957 1.00 0.00 H new ATOM 0 HH TYR A 635 3.381 0.225 -4.842 1.00 0.00 H new ATOM 921 N ASN A 636 8.775 2.087 2.533 1.00 0.00 N ATOM 922 CA ASN A 636 9.700 2.095 3.652 1.00 0.00 C ATOM 923 C ASN A 636 9.638 0.842 4.513 1.00 0.00 C ATOM 924 O ASN A 636 8.930 0.738 5.522 1.00 0.00 O ATOM 925 CB ASN A 636 9.658 3.392 4.450 1.00 0.00 C ATOM 926 CG ASN A 636 10.935 3.551 5.271 1.00 0.00 C ATOM 927 OD1 ASN A 636 10.891 3.609 6.492 1.00 0.00 O ATOM 928 ND2 ASN A 636 12.094 3.611 4.622 1.00 0.00 N ATOM 0 H ASN A 636 9.140 2.655 1.769 1.00 0.00 H new ATOM 0 HA ASN A 636 10.693 2.064 3.203 1.00 0.00 H new ATOM 0 HB2 ASN A 636 9.545 4.239 3.774 1.00 0.00 H new ATOM 0 HB3 ASN A 636 8.791 3.393 5.110 1.00 0.00 H new ATOM 0 HD21 ASN A 636 12.966 3.707 5.143 1.00 0.00 H new ATOM 0 HD22 ASN A 636 12.111 3.561 3.603 1.00 0.00 H new ATOM 935 N VAL A 637 10.404 -0.129 4.038 1.00 0.00 N ATOM 936 CA VAL A 637 10.597 -1.440 4.605 1.00 0.00 C ATOM 937 C VAL A 637 12.107 -1.675 4.599 1.00 0.00 C ATOM 938 O VAL A 637 12.709 -1.736 3.530 1.00 0.00 O ATOM 939 CB VAL A 637 9.849 -2.463 3.734 1.00 0.00 C ATOM 940 CG1 VAL A 637 9.776 -3.824 4.413 1.00 0.00 C ATOM 941 CG2 VAL A 637 8.422 -2.038 3.390 1.00 0.00 C ATOM 0 H VAL A 637 10.944 -0.003 3.182 1.00 0.00 H new ATOM 0 HA VAL A 637 10.210 -1.535 5.619 1.00 0.00 H new ATOM 0 HB VAL A 637 10.429 -2.521 2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 637 9.241 -4.523 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 637 10.785 -4.196 4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 637 9.250 -3.729 5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 637 7.952 -2.805 2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 637 7.849 -1.909 4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 637 8.445 -1.096 2.842 1.00 0.00 H new ATOM 951 N SER A 638 12.727 -1.750 5.778 1.00 0.00 N ATOM 952 CA SER A 638 14.142 -2.065 5.917 1.00 0.00 C ATOM 953 C SER A 638 14.428 -3.436 5.300 1.00 0.00 C ATOM 954 O SER A 638 13.540 -4.287 5.263 1.00 0.00 O ATOM 955 CB SER A 638 14.505 -2.068 7.408 1.00 0.00 C ATOM 956 OG SER A 638 13.974 -0.926 8.053 1.00 0.00 O ATOM 0 H SER A 638 12.254 -1.592 6.668 1.00 0.00 H new ATOM 0 HA SER A 638 14.743 -1.318 5.398 1.00 0.00 H new ATOM 0 HB2 SER A 638 14.118 -2.971 7.880 1.00 0.00 H new ATOM 0 HB3 SER A 638 15.589 -2.087 7.524 1.00 0.00 H new ATOM 0 HG SER A 638 14.214 -0.946 9.003 1.00 0.00 H new ATOM 962 N GLU A 639 15.672 -3.694 4.889 1.00 0.00 N ATOM 963 CA GLU A 639 16.070 -4.939 4.242 1.00 0.00 C ATOM 964 C GLU A 639 15.663 -6.158 5.072 1.00 0.00 C ATOM 965 O GLU A 639 15.157 -7.130 4.518 1.00 0.00 O ATOM 966 CB GLU A 639 17.583 -4.889 3.990 1.00 0.00 C ATOM 967 CG GLU A 639 18.131 -6.201 3.427 1.00 0.00 C ATOM 968 CD GLU A 639 19.551 -6.012 2.893 1.00 0.00 C ATOM 969 OE1 GLU A 639 20.489 -6.081 3.718 1.00 0.00 O ATOM 970 OE2 GLU A 639 19.674 -5.773 1.671 1.00 0.00 O ATOM 0 H GLU A 639 16.440 -3.032 5.000 1.00 0.00 H new ATOM 0 HA GLU A 639 15.552 -5.043 3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 639 17.805 -4.079 3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 639 18.095 -4.657 4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 639 18.129 -6.965 4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 639 17.482 -6.558 2.628 1.00 0.00 H new ATOM 977 N GLU A 640 15.803 -6.058 6.397 1.00 0.00 N ATOM 978 CA GLU A 640 15.403 -7.061 7.370 1.00 0.00 C ATOM 979 C GLU A 640 13.917 -7.373 7.235 1.00 0.00 C ATOM 980 O GLU A 640 13.533 -8.540 7.130 1.00 0.00 O ATOM 981 CB GLU A 640 15.768 -6.533 8.761 1.00 0.00 C ATOM 982 CG GLU A 640 15.278 -7.435 9.900 1.00 0.00 C ATOM 983 CD GLU A 640 14.121 -6.785 10.669 1.00 0.00 C ATOM 984 OE1 GLU A 640 14.406 -5.902 11.508 1.00 0.00 O ATOM 985 OE2 GLU A 640 12.958 -7.139 10.380 1.00 0.00 O ATOM 0 H GLU A 640 16.218 -5.235 6.834 1.00 0.00 H new ATOM 0 HA GLU A 640 15.926 -8.002 7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 640 16.851 -6.429 8.830 1.00 0.00 H new ATOM 0 HB3 GLU A 640 15.343 -5.537 8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 640 14.954 -8.393 9.494 1.00 0.00 H new ATOM 0 HG3 GLU A 640 16.102 -7.640 10.584 1.00 0.00 H new ATOM 992 N LYS A 641 13.085 -6.328 7.185 1.00 0.00 N ATOM 993 CA LYS A 641 11.671 -6.488 7.029 1.00 0.00 C ATOM 994 C LYS A 641 11.382 -7.105 5.668 1.00 0.00 C ATOM 995 O LYS A 641 10.632 -8.071 5.623 1.00 0.00 O ATOM 996 CB LYS A 641 10.975 -5.135 7.196 1.00 0.00 C ATOM 997 CG LYS A 641 10.645 -4.625 8.602 1.00 0.00 C ATOM 998 CD LYS A 641 9.538 -5.426 9.303 1.00 0.00 C ATOM 999 CE LYS A 641 10.189 -6.514 10.144 1.00 0.00 C ATOM 1000 NZ LYS A 641 9.217 -7.371 10.844 1.00 0.00 N ATOM 0 H LYS A 641 13.391 -5.357 7.253 1.00 0.00 H new ATOM 0 HA LYS A 641 11.282 -7.158 7.796 1.00 0.00 H new ATOM 0 HB2 LYS A 641 11.601 -4.384 6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 641 10.041 -5.177 6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 641 11.548 -4.658 9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 641 10.341 -3.580 8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 641 8.936 -4.770 9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 641 8.866 -5.867 8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 641 10.813 -7.135 9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 641 10.848 -6.050 10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 641 9.635 -8.309 11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 641 8.969 -6.940 11.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 641 8.360 -7.470 10.263 1.00 0.00 H new ATOM 1014 N VAL A 642 11.956 -6.593 4.570 1.00 0.00 N ATOM 1015 CA VAL A 642 11.631 -7.116 3.246 1.00 0.00 C ATOM 1016 C VAL A 642 12.016 -8.587 3.197 1.00 0.00 C ATOM 1017 O VAL A 642 11.197 -9.392 2.765 1.00 0.00 O ATOM 1018 CB VAL A 642 12.292 -6.340 2.087 1.00 0.00 C ATOM 1019 CG1 VAL A 642 11.617 -6.757 0.774 1.00 0.00 C ATOM 1020 CG2 VAL A 642 12.129 -4.824 2.164 1.00 0.00 C ATOM 0 H VAL A 642 12.635 -5.832 4.576 1.00 0.00 H new ATOM 0 HA VAL A 642 10.558 -6.990 3.099 1.00 0.00 H new ATOM 0 HB VAL A 642 13.354 -6.578 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 642 12.072 -6.218 -0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.744 -7.829 0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.554 -6.521 0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 642 12.624 -4.361 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 642 11.069 -4.571 2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 642 12.577 -4.456 3.087 1.00 0.00 H new ATOM 1030 N GLU A 643 13.202 -8.951 3.696 1.00 0.00 N ATOM 1031 CA GLU A 643 13.656 -10.331 3.726 1.00 0.00 C ATOM 1032 C GLU A 643 12.663 -11.247 4.448 1.00 0.00 C ATOM 1033 O GLU A 643 12.520 -12.414 4.075 1.00 0.00 O ATOM 1034 CB GLU A 643 15.060 -10.421 4.352 1.00 0.00 C ATOM 1035 CG GLU A 643 16.165 -10.375 3.283 1.00 0.00 C ATOM 1036 CD GLU A 643 16.359 -11.760 2.654 1.00 0.00 C ATOM 1037 OE1 GLU A 643 15.345 -12.365 2.227 1.00 0.00 O ATOM 1038 OE2 GLU A 643 17.473 -12.319 2.757 1.00 0.00 O ATOM 0 H GLU A 643 13.871 -8.289 4.090 1.00 0.00 H new ATOM 0 HA GLU A 643 13.715 -10.683 2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 643 15.199 -9.599 5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 643 15.145 -11.345 4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 643 15.903 -9.652 2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 643 17.100 -10.038 3.731 1.00 0.00 H new ATOM 1045 N GLU A 644 11.937 -10.728 5.443 1.00 0.00 N ATOM 1046 CA GLU A 644 10.848 -11.447 6.080 1.00 0.00 C ATOM 1047 C GLU A 644 9.673 -11.660 5.124 1.00 0.00 C ATOM 1048 O GLU A 644 9.217 -12.795 4.953 1.00 0.00 O ATOM 1049 CB GLU A 644 10.461 -10.785 7.412 1.00 0.00 C ATOM 1050 CG GLU A 644 9.052 -10.177 7.514 1.00 0.00 C ATOM 1051 CD GLU A 644 8.736 -9.533 8.865 1.00 0.00 C ATOM 1052 OE1 GLU A 644 9.351 -9.885 9.897 1.00 0.00 O ATOM 1053 OE2 GLU A 644 7.904 -8.594 8.886 1.00 0.00 O ATOM 0 H GLU A 644 12.094 -9.795 5.824 1.00 0.00 H new ATOM 0 HA GLU A 644 11.192 -12.450 6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 644 10.565 -11.529 8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 644 11.184 -9.997 7.620 1.00 0.00 H new ATOM 0 HG2 GLU A 644 8.936 -9.427 6.732 1.00 0.00 H new ATOM 0 HG3 GLU A 644 8.318 -10.958 7.317 1.00 0.00 H new ATOM 1060 N LEU A 645 9.195 -10.583 4.487 1.00 0.00 N ATOM 1061 CA LEU A 645 8.049 -10.636 3.584 1.00 0.00 C ATOM 1062 C LEU A 645 8.358 -11.629 2.464 1.00 0.00 C ATOM 1063 O LEU A 645 7.524 -12.467 2.119 1.00 0.00 O ATOM 1064 CB LEU A 645 7.666 -9.240 3.040 1.00 0.00 C ATOM 1065 CG LEU A 645 7.599 -8.101 4.071 1.00 0.00 C ATOM 1066 CD1 LEU A 645 7.478 -6.760 3.350 1.00 0.00 C ATOM 1067 CD2 LEU A 645 6.483 -8.252 5.104 1.00 0.00 C ATOM 0 H LEU A 645 9.596 -9.651 4.587 1.00 0.00 H new ATOM 0 HA LEU A 645 7.174 -10.979 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 645 8.387 -8.963 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 645 6.694 -9.318 2.553 1.00 0.00 H new ATOM 0 HG LEU A 645 8.529 -8.148 4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 645 7.431 -5.955 4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 645 8.345 -6.614 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 645 6.571 -6.753 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 645 6.507 -7.407 5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 645 5.519 -8.279 4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 645 6.626 -9.178 5.661 1.00 0.00 H new ATOM 1079 N ILE A 646 9.600 -11.587 1.968 1.00 0.00 N ATOM 1080 CA ILE A 646 10.142 -12.490 0.972 1.00 0.00 C ATOM 1081 C ILE A 646 9.990 -13.934 1.440 1.00 0.00 C ATOM 1082 O ILE A 646 9.471 -14.750 0.680 1.00 0.00 O ATOM 1083 CB ILE A 646 11.611 -12.079 0.684 1.00 0.00 C ATOM 1084 CG1 ILE A 646 11.584 -10.734 -0.064 1.00 0.00 C ATOM 1085 CG2 ILE A 646 12.405 -13.108 -0.138 1.00 0.00 C ATOM 1086 CD1 ILE A 646 12.947 -10.116 -0.399 1.00 0.00 C ATOM 0 H ILE A 646 10.278 -10.887 2.270 1.00 0.00 H new ATOM 0 HA ILE A 646 9.593 -12.422 0.033 1.00 0.00 H new ATOM 0 HB ILE A 646 12.125 -12.010 1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 646 11.032 -10.871 -0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 646 11.023 -10.019 0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 646 13.420 -12.744 -0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 646 12.438 -14.056 0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 646 11.920 -13.255 -1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 646 12.799 -9.173 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 646 13.501 -9.935 0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 646 13.511 -10.800 -1.033 1.00 0.00 H new ATOM 1098 N ARG A 647 10.436 -14.283 2.655 1.00 0.00 N ATOM 1099 CA ARG A 647 10.447 -15.705 3.012 1.00 0.00 C ATOM 1100 C ARG A 647 9.050 -16.205 3.333 1.00 0.00 C ATOM 1101 O ARG A 647 8.701 -17.293 2.888 1.00 0.00 O ATOM 1102 CB ARG A 647 11.500 -16.066 4.067 1.00 0.00 C ATOM 1103 CG ARG A 647 11.483 -15.279 5.386 1.00 0.00 C ATOM 1104 CD ARG A 647 12.873 -15.252 6.040 1.00 0.00 C ATOM 1105 NE ARG A 647 13.848 -14.566 5.171 1.00 0.00 N ATOM 1106 CZ ARG A 647 15.138 -14.870 4.980 1.00 0.00 C ATOM 1107 NH1 ARG A 647 15.763 -15.728 5.785 1.00 0.00 N ATOM 1108 NH2 ARG A 647 15.804 -14.318 3.974 1.00 0.00 N ATOM 0 H ARG A 647 10.776 -13.640 3.370 1.00 0.00 H new ATOM 0 HA ARG A 647 10.772 -16.252 2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 647 11.388 -17.124 4.305 1.00 0.00 H new ATOM 0 HB3 ARG A 647 12.484 -15.943 3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 647 11.147 -14.259 5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 647 10.765 -15.730 6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 647 12.817 -14.744 7.003 1.00 0.00 H new ATOM 0 HD3 ARG A 647 13.207 -16.271 6.236 1.00 0.00 H new ATOM 0 HE ARG A 647 13.496 -13.761 4.652 1.00 0.00 H new ATOM 0 HH11 ARG A 647 15.259 -16.162 6.558 1.00 0.00 H new ATOM 0 HH12 ARG A 647 16.746 -15.951 5.628 1.00 0.00 H new ATOM 0 HH21 ARG A 647 15.333 -13.664 3.349 1.00 0.00 H new ATOM 0 HH22 ARG A 647 16.787 -14.548 3.826 1.00 0.00 H new ATOM 1122 N ILE A 648 8.229 -15.409 4.015 1.00 0.00 N ATOM 1123 CA ILE A 648 6.869 -15.797 4.385 1.00 0.00 C ATOM 1124 C ILE A 648 6.082 -16.139 3.126 1.00 0.00 C ATOM 1125 O ILE A 648 5.567 -17.249 3.002 1.00 0.00 O ATOM 1126 CB ILE A 648 6.228 -14.665 5.206 1.00 0.00 C ATOM 1127 CG1 ILE A 648 6.977 -14.571 6.560 1.00 0.00 C ATOM 1128 CG2 ILE A 648 4.728 -14.859 5.471 1.00 0.00 C ATOM 1129 CD1 ILE A 648 6.818 -13.214 7.227 1.00 0.00 C ATOM 0 H ILE A 648 8.489 -14.474 4.328 1.00 0.00 H new ATOM 0 HA ILE A 648 6.872 -16.689 5.012 1.00 0.00 H new ATOM 0 HB ILE A 648 6.316 -13.750 4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 648 6.606 -15.346 7.230 1.00 0.00 H new ATOM 0 HG13 ILE A 648 8.037 -14.770 6.399 1.00 0.00 H new ATOM 0 HG21 ILE A 648 4.350 -14.020 6.055 1.00 0.00 H new ATOM 0 HG22 ILE A 648 4.194 -14.910 4.522 1.00 0.00 H new ATOM 0 HG23 ILE A 648 4.573 -15.785 6.024 1.00 0.00 H new ATOM 0 HD11 ILE A 648 7.363 -13.206 8.171 1.00 0.00 H new ATOM 0 HD12 ILE A 648 7.215 -12.438 6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 648 5.762 -13.023 7.417 1.00 0.00 H new ATOM 1141 N LEU A 649 5.991 -15.217 2.164 1.00 0.00 N ATOM 1142 CA LEU A 649 5.204 -15.481 0.976 1.00 0.00 C ATOM 1143 C LEU A 649 5.775 -16.648 0.146 1.00 0.00 C ATOM 1144 O LEU A 649 5.019 -17.317 -0.564 1.00 0.00 O ATOM 1145 CB LEU A 649 5.073 -14.192 0.152 1.00 0.00 C ATOM 1146 CG LEU A 649 3.995 -13.240 0.688 1.00 0.00 C ATOM 1147 CD1 LEU A 649 4.539 -12.265 1.727 1.00 0.00 C ATOM 1148 CD2 LEU A 649 3.365 -12.436 -0.458 1.00 0.00 C ATOM 0 H LEU A 649 6.444 -14.304 2.189 1.00 0.00 H new ATOM 0 HA LEU A 649 4.208 -15.799 1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 649 6.033 -13.675 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 649 4.840 -14.451 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 649 3.244 -13.868 1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 649 3.735 -11.615 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 649 4.944 -12.822 2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 649 5.328 -11.660 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 649 2.603 -11.767 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 649 4.136 -11.850 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 649 2.908 -13.119 -1.173 1.00 0.00 H new ATOM 1160 N LYS A 650 7.088 -16.905 0.235 1.00 0.00 N ATOM 1161 CA LYS A 650 7.742 -18.018 -0.472 1.00 0.00 C ATOM 1162 C LYS A 650 7.334 -19.340 0.164 1.00 0.00 C ATOM 1163 O LYS A 650 7.030 -20.313 -0.518 1.00 0.00 O ATOM 1164 CB LYS A 650 9.285 -17.888 -0.478 1.00 0.00 C ATOM 1165 CG LYS A 650 9.843 -16.956 -1.571 1.00 0.00 C ATOM 1166 CD LYS A 650 11.351 -16.670 -1.497 1.00 0.00 C ATOM 1167 CE LYS A 650 12.202 -17.931 -1.503 1.00 0.00 C ATOM 1168 NZ LYS A 650 13.648 -17.637 -1.335 1.00 0.00 N ATOM 0 H LYS A 650 7.728 -16.347 0.800 1.00 0.00 H new ATOM 0 HA LYS A 650 7.412 -17.985 -1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 650 9.610 -17.521 0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 650 9.720 -18.879 -0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 650 9.622 -17.395 -2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 650 9.309 -16.007 -1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 650 11.637 -16.043 -2.341 1.00 0.00 H new ATOM 0 HD3 LYS A 650 11.562 -16.101 -0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 650 11.873 -18.592 -0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 650 12.049 -18.465 -2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 14.138 -18.488 -0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 14.052 -17.348 -2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 13.768 -16.868 -0.645 1.00 0.00 H new ATOM 1182 N ASP A 651 7.297 -19.332 1.488 1.00 0.00 N ATOM 1183 CA ASP A 651 6.976 -20.457 2.365 1.00 0.00 C ATOM 1184 C ASP A 651 5.527 -20.878 2.169 1.00 0.00 C ATOM 1185 O ASP A 651 5.205 -22.059 2.073 1.00 0.00 O ATOM 1186 CB ASP A 651 7.197 -20.025 3.816 1.00 0.00 C ATOM 1187 CG ASP A 651 7.035 -21.188 4.792 1.00 0.00 C ATOM 1188 OD1 ASP A 651 7.923 -22.067 4.785 1.00 0.00 O ATOM 1189 OD2 ASP A 651 6.034 -21.159 5.544 1.00 0.00 O ATOM 0 H ASP A 651 7.504 -18.485 2.017 1.00 0.00 H new ATOM 0 HA ASP A 651 7.619 -21.304 2.125 1.00 0.00 H new ATOM 0 HB2 ASP A 651 8.196 -19.602 3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 651 6.489 -19.237 4.071 1.00 0.00 H new ATOM 1194 N LYS A 652 4.660 -19.874 2.022 1.00 0.00 N ATOM 1195 CA LYS A 652 3.251 -20.043 1.693 1.00 0.00 C ATOM 1196 C LYS A 652 3.040 -20.572 0.278 1.00 0.00 C ATOM 1197 O LYS A 652 1.913 -20.935 -0.051 1.00 0.00 O ATOM 1198 CB LYS A 652 2.559 -18.684 1.862 1.00 0.00 C ATOM 1199 CG LYS A 652 2.296 -18.400 3.346 1.00 0.00 C ATOM 1200 CD LYS A 652 2.549 -16.940 3.734 1.00 0.00 C ATOM 1201 CE LYS A 652 1.478 -16.392 4.684 1.00 0.00 C ATOM 1202 NZ LYS A 652 1.467 -17.131 5.967 1.00 0.00 N ATOM 0 H LYS A 652 4.930 -18.897 2.132 1.00 0.00 H new ATOM 0 HA LYS A 652 2.822 -20.787 2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 652 3.182 -17.896 1.439 1.00 0.00 H new ATOM 0 HB3 LYS A 652 1.618 -18.676 1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 652 1.264 -18.658 3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 652 2.932 -19.046 3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 652 3.527 -16.857 4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 652 2.579 -16.328 2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 652 1.663 -15.335 4.873 1.00 0.00 H new ATOM 0 HE3 LYS A 652 0.498 -16.465 4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 0.779 -16.694 6.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 1.200 -18.121 5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 2.414 -17.097 6.395 1.00 0.00 H new ATOM 1216 N GLY A 653 4.075 -20.574 -0.571 1.00 0.00 N ATOM 1217 CA GLY A 653 3.914 -20.849 -1.989 1.00 0.00 C ATOM 1218 C GLY A 653 2.994 -19.822 -2.650 1.00 0.00 C ATOM 1219 O GLY A 653 2.346 -20.140 -3.643 1.00 0.00 O ATOM 0 H GLY A 653 5.037 -20.386 -0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 653 4.888 -20.836 -2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 653 3.503 -21.849 -2.124 1.00 0.00 H new ATOM 1223 N ALA A 654 2.915 -18.601 -2.101 1.00 0.00 N ATOM 1224 CA ALA A 654 2.318 -17.472 -2.798 1.00 0.00 C ATOM 1225 C ALA A 654 3.295 -16.973 -3.861 1.00 0.00 C ATOM 1226 O ALA A 654 2.901 -16.610 -4.972 1.00 0.00 O ATOM 1227 CB ALA A 654 1.990 -16.363 -1.793 1.00 0.00 C ATOM 0 H ALA A 654 3.263 -18.378 -1.168 1.00 0.00 H new ATOM 0 HA ALA A 654 1.391 -17.776 -3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.543 -15.518 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 654 1.289 -16.742 -1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 654 2.905 -16.039 -1.297 1.00 0.00 H new ATOM 1233 N ILE A 655 4.587 -16.985 -3.524 1.00 0.00 N ATOM 1234 CA ILE A 655 5.661 -16.643 -4.439 1.00 0.00 C ATOM 1235 C ILE A 655 6.710 -17.736 -4.348 1.00 0.00 C ATOM 1236 O ILE A 655 6.587 -18.683 -3.568 1.00 0.00 O ATOM 1237 CB ILE A 655 6.226 -15.239 -4.142 1.00 0.00 C ATOM 1238 CG1 ILE A 655 6.895 -15.195 -2.765 1.00 0.00 C ATOM 1239 CG2 ILE A 655 5.091 -14.227 -4.262 1.00 0.00 C ATOM 1240 CD1 ILE A 655 7.402 -13.827 -2.310 1.00 0.00 C ATOM 0 H ILE A 655 4.914 -17.238 -2.591 1.00 0.00 H new ATOM 0 HA ILE A 655 5.292 -16.590 -5.463 1.00 0.00 H new ATOM 0 HB ILE A 655 7.002 -14.988 -4.865 1.00 0.00 H new ATOM 0 HG12 ILE A 655 6.183 -15.561 -2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 655 7.736 -15.889 -2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 655 5.472 -13.227 -4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 655 4.681 -14.258 -5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 655 4.307 -14.472 -3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 655 7.856 -13.917 -1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 655 8.144 -13.460 -3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 655 6.568 -13.127 -2.263 1.00 0.00 H new ATOM 1252 N PHE A 656 7.740 -17.608 -5.167 1.00 0.00 N ATOM 1253 CA PHE A 656 8.850 -18.520 -5.192 1.00 0.00 C ATOM 1254 C PHE A 656 10.086 -17.781 -5.680 1.00 0.00 C ATOM 1255 O PHE A 656 9.982 -16.644 -6.133 1.00 0.00 O ATOM 1256 CB PHE A 656 8.480 -19.693 -6.096 1.00 0.00 C ATOM 1257 CG PHE A 656 9.243 -20.926 -5.709 1.00 0.00 C ATOM 1258 CD1 PHE A 656 8.916 -21.584 -4.510 1.00 0.00 C ATOM 1259 CD2 PHE A 656 10.327 -21.348 -6.492 1.00 0.00 C ATOM 1260 CE1 PHE A 656 9.671 -22.702 -4.110 1.00 0.00 C ATOM 1261 CE2 PHE A 656 11.086 -22.459 -6.086 1.00 0.00 C ATOM 1262 CZ PHE A 656 10.751 -23.141 -4.900 1.00 0.00 C ATOM 0 H PHE A 656 7.821 -16.849 -5.843 1.00 0.00 H new ATOM 0 HA PHE A 656 9.074 -18.910 -4.199 1.00 0.00 H new ATOM 0 HB2 PHE A 656 7.409 -19.886 -6.028 1.00 0.00 H new ATOM 0 HB3 PHE A 656 8.693 -19.439 -7.134 1.00 0.00 H new ATOM 0 HD1 PHE A 656 8.094 -21.235 -3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 656 10.577 -20.822 -7.402 1.00 0.00 H new ATOM 0 HE1 PHE A 656 9.422 -23.223 -3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 656 11.924 -22.789 -6.682 1.00 0.00 H new ATOM 0 HZ PHE A 656 11.325 -24.004 -4.595 1.00 0.00 H new ATOM 1272 N GLU A 657 11.242 -18.439 -5.623 1.00 0.00 N ATOM 1273 CA GLU A 657 12.500 -17.921 -6.135 1.00 0.00 C ATOM 1274 C GLU A 657 13.044 -18.926 -7.164 1.00 0.00 C ATOM 1275 O GLU A 657 13.857 -19.780 -6.813 1.00 0.00 O ATOM 1276 CB GLU A 657 13.430 -17.597 -4.955 1.00 0.00 C ATOM 1277 CG GLU A 657 14.741 -16.953 -5.421 1.00 0.00 C ATOM 1278 CD GLU A 657 15.579 -16.307 -4.319 1.00 0.00 C ATOM 1279 OE1 GLU A 657 15.185 -16.432 -3.131 1.00 0.00 O ATOM 1280 OE2 GLU A 657 16.603 -15.682 -4.693 1.00 0.00 O ATOM 0 H GLU A 657 11.327 -19.368 -5.210 1.00 0.00 H new ATOM 0 HA GLU A 657 12.390 -16.977 -6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 657 12.920 -16.925 -4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 657 13.650 -18.512 -4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 657 15.345 -17.714 -5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 657 14.509 -16.195 -6.169 1.00 0.00 H new ATOM 1287 N PRO A 658 12.565 -18.889 -8.426 1.00 0.00 N ATOM 1288 CA PRO A 658 13.000 -19.803 -9.485 1.00 0.00 C ATOM 1289 C PRO A 658 14.457 -19.613 -9.898 1.00 0.00 C ATOM 1290 O PRO A 658 15.055 -20.538 -10.446 1.00 0.00 O ATOM 1291 CB PRO A 658 12.111 -19.517 -10.694 1.00 0.00 C ATOM 1292 CG PRO A 658 11.620 -18.104 -10.436 1.00 0.00 C ATOM 1293 CD PRO A 658 11.485 -18.051 -8.923 1.00 0.00 C ATOM 0 HA PRO A 658 12.917 -20.825 -9.115 1.00 0.00 H new ATOM 0 HB2 PRO A 658 12.668 -19.586 -11.629 1.00 0.00 H new ATOM 0 HB3 PRO A 658 11.285 -20.224 -10.763 1.00 0.00 H new ATOM 0 HG2 PRO A 658 12.326 -17.359 -10.803 1.00 0.00 H new ATOM 0 HG3 PRO A 658 10.668 -17.912 -10.932 1.00 0.00 H new ATOM 0 HD2 PRO A 658 11.574 -17.030 -8.553 1.00 0.00 H new ATOM 0 HD3 PRO A 658 10.513 -18.424 -8.599 1.00 0.00 H new ATOM 1301 N ALA A 659 15.022 -18.425 -9.666 1.00 0.00 N ATOM 1302 CA ALA A 659 16.431 -18.164 -9.884 1.00 0.00 C ATOM 1303 C ALA A 659 16.965 -17.418 -8.684 1.00 0.00 C ATOM 1304 O ALA A 659 16.226 -16.705 -8.012 1.00 0.00 O ATOM 1305 CB ALA A 659 16.657 -17.322 -11.137 1.00 0.00 C ATOM 0 H ALA A 659 14.504 -17.618 -9.319 1.00 0.00 H new ATOM 0 HA ALA A 659 16.948 -19.114 -10.020 1.00 0.00 H new ATOM 0 HB1 ALA A 659 17.724 -17.146 -11.269 1.00 0.00 H new ATOM 0 HB2 ALA A 659 16.266 -17.851 -12.006 1.00 0.00 H new ATOM 0 HB3 ALA A 659 16.142 -16.367 -11.031 1.00 0.00 H new ATOM 1311 N ARG A 660 18.276 -17.507 -8.492 1.00 0.00 N ATOM 1312 CA ARG A 660 18.957 -16.805 -7.422 1.00 0.00 C ATOM 1313 C ARG A 660 18.844 -15.329 -7.725 1.00 0.00 C ATOM 1314 O ARG A 660 19.420 -14.837 -8.695 1.00 0.00 O ATOM 1315 CB ARG A 660 20.405 -17.281 -7.273 1.00 0.00 C ATOM 1316 CG ARG A 660 20.422 -18.439 -6.266 1.00 0.00 C ATOM 1317 CD ARG A 660 21.728 -19.242 -6.307 1.00 0.00 C ATOM 1318 NE ARG A 660 21.893 -19.977 -7.575 1.00 0.00 N ATOM 1319 CZ ARG A 660 23.054 -20.371 -8.122 1.00 0.00 C ATOM 1320 NH1 ARG A 660 24.213 -20.138 -7.503 1.00 0.00 N ATOM 1321 NH2 ARG A 660 23.053 -21.002 -9.297 1.00 0.00 N ATOM 0 H ARG A 660 18.893 -18.070 -9.077 1.00 0.00 H new ATOM 0 HA ARG A 660 18.497 -17.014 -6.456 1.00 0.00 H new ATOM 0 HB2 ARG A 660 20.800 -17.607 -8.235 1.00 0.00 H new ATOM 0 HB3 ARG A 660 21.041 -16.466 -6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 660 20.276 -18.043 -5.261 1.00 0.00 H new ATOM 0 HG3 ARG A 660 19.584 -19.105 -6.471 1.00 0.00 H new ATOM 0 HD2 ARG A 660 22.572 -18.566 -6.169 1.00 0.00 H new ATOM 0 HD3 ARG A 660 21.745 -19.947 -5.476 1.00 0.00 H new ATOM 0 HE ARG A 660 21.041 -20.209 -8.087 1.00 0.00 H new ATOM 0 HH11 ARG A 660 24.223 -19.656 -6.604 1.00 0.00 H new ATOM 0 HH12 ARG A 660 25.089 -20.442 -7.929 1.00 0.00 H new ATOM 0 HH21 ARG A 660 22.172 -21.184 -9.777 1.00 0.00 H new ATOM 0 HH22 ARG A 660 23.933 -21.303 -9.715 1.00 0.00 H new ATOM 1335 N GLY A 661 18.034 -14.663 -6.915 1.00 0.00 N ATOM 1336 CA GLY A 661 17.761 -13.254 -7.062 1.00 0.00 C ATOM 1337 C GLY A 661 16.648 -12.899 -8.042 1.00 0.00 C ATOM 1338 O GLY A 661 16.557 -11.726 -8.399 1.00 0.00 O ATOM 0 H GLY A 661 17.546 -15.097 -6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 661 17.503 -12.848 -6.084 1.00 0.00 H new ATOM 0 HA3 GLY A 661 18.676 -12.756 -7.383 1.00 0.00 H new ATOM 1342 N TYR A 662 15.794 -13.851 -8.440 1.00 0.00 N ATOM 1343 CA TYR A 662 14.540 -13.584 -9.142 1.00 0.00 C ATOM 1344 C TYR A 662 13.427 -14.224 -8.324 1.00 0.00 C ATOM 1345 O TYR A 662 13.355 -15.451 -8.265 1.00 0.00 O ATOM 1346 CB TYR A 662 14.575 -14.174 -10.571 1.00 0.00 C ATOM 1347 CG TYR A 662 13.255 -14.401 -11.304 1.00 0.00 C ATOM 1348 CD1 TYR A 662 12.101 -13.665 -10.989 1.00 0.00 C ATOM 1349 CD2 TYR A 662 13.149 -15.470 -12.219 1.00 0.00 C ATOM 1350 CE1 TYR A 662 10.852 -14.034 -11.522 1.00 0.00 C ATOM 1351 CE2 TYR A 662 11.914 -15.797 -12.812 1.00 0.00 C ATOM 1352 CZ TYR A 662 10.747 -15.087 -12.453 1.00 0.00 C ATOM 1353 OH TYR A 662 9.533 -15.430 -12.973 1.00 0.00 O ATOM 0 H TYR A 662 15.962 -14.844 -8.279 1.00 0.00 H new ATOM 0 HA TYR A 662 14.377 -12.511 -9.244 1.00 0.00 H new ATOM 0 HB2 TYR A 662 15.185 -13.513 -11.186 1.00 0.00 H new ATOM 0 HB3 TYR A 662 15.094 -15.131 -10.521 1.00 0.00 H new ATOM 0 HD1 TYR A 662 12.173 -12.810 -10.333 1.00 0.00 H new ATOM 0 HD2 TYR A 662 14.028 -16.046 -12.468 1.00 0.00 H new ATOM 0 HE1 TYR A 662 9.963 -13.504 -11.214 1.00 0.00 H new ATOM 0 HE2 TYR A 662 11.859 -16.591 -13.542 1.00 0.00 H new ATOM 0 HH TYR A 662 9.034 -14.618 -13.201 1.00 0.00 H new ATOM 1363 N LEU A 663 12.549 -13.403 -7.735 1.00 0.00 N ATOM 1364 CA LEU A 663 11.308 -13.887 -7.151 1.00 0.00 C ATOM 1365 C LEU A 663 10.156 -13.799 -8.147 1.00 0.00 C ATOM 1366 O LEU A 663 10.049 -12.839 -8.904 1.00 0.00 O ATOM 1367 CB LEU A 663 10.977 -13.127 -5.865 1.00 0.00 C ATOM 1368 CG LEU A 663 11.456 -13.924 -4.635 1.00 0.00 C ATOM 1369 CD1 LEU A 663 12.858 -13.546 -4.182 1.00 0.00 C ATOM 1370 CD2 LEU A 663 10.439 -13.733 -3.526 1.00 0.00 C ATOM 0 H LEU A 663 12.683 -12.395 -7.654 1.00 0.00 H new ATOM 0 HA LEU A 663 11.448 -14.938 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 663 11.454 -12.147 -5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 663 9.902 -12.957 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 663 11.526 -14.977 -4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 663 13.133 -14.144 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 663 13.565 -13.734 -4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 663 12.882 -12.489 -3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 663 10.755 -14.288 -2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 663 10.363 -12.674 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 663 9.467 -14.100 -3.856 1.00 0.00 H new ATOM 1382 N LYS A 664 9.277 -14.799 -8.097 1.00 0.00 N ATOM 1383 CA LYS A 664 8.191 -15.062 -9.030 1.00 0.00 C ATOM 1384 C LYS A 664 6.911 -15.249 -8.251 1.00 0.00 C ATOM 1385 O LYS A 664 6.931 -15.920 -7.219 1.00 0.00 O ATOM 1386 CB LYS A 664 8.543 -16.347 -9.806 1.00 0.00 C ATOM 1387 CG LYS A 664 7.402 -16.907 -10.664 1.00 0.00 C ATOM 1388 CD LYS A 664 7.671 -18.285 -11.287 1.00 0.00 C ATOM 1389 CE LYS A 664 6.431 -18.794 -12.054 1.00 0.00 C ATOM 1390 NZ LYS A 664 5.246 -18.963 -11.176 1.00 0.00 N ATOM 0 H LYS A 664 9.311 -15.493 -7.350 1.00 0.00 H new ATOM 0 HA LYS A 664 8.056 -14.234 -9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 664 9.399 -16.144 -10.450 1.00 0.00 H new ATOM 0 HB3 LYS A 664 8.854 -17.112 -9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 664 6.504 -16.972 -10.049 1.00 0.00 H new ATOM 0 HG3 LYS A 664 7.189 -16.199 -11.465 1.00 0.00 H new ATOM 0 HD2 LYS A 664 8.522 -18.222 -11.965 1.00 0.00 H new ATOM 0 HD3 LYS A 664 7.937 -18.996 -10.505 1.00 0.00 H new ATOM 0 HE2 LYS A 664 6.190 -18.093 -12.853 1.00 0.00 H new ATOM 0 HE3 LYS A 664 6.667 -19.747 -12.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 664 4.573 -19.618 -11.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 664 5.546 -19.349 -10.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 664 4.787 -18.041 -11.031 1.00 0.00 H new ATOM 1404 N ILE A 665 5.799 -14.740 -8.779 1.00 0.00 N ATOM 1405 CA ILE A 665 4.486 -15.116 -8.231 1.00 0.00 C ATOM 1406 C ILE A 665 4.142 -16.532 -8.697 1.00 0.00 C ATOM 1407 O ILE A 665 4.228 -16.796 -9.897 1.00 0.00 O ATOM 1408 CB ILE A 665 3.376 -14.110 -8.596 1.00 0.00 C ATOM 1409 CG1 ILE A 665 3.792 -12.716 -8.093 1.00 0.00 C ATOM 1410 CG2 ILE A 665 2.038 -14.550 -7.965 1.00 0.00 C ATOM 1411 CD1 ILE A 665 2.799 -11.606 -8.411 1.00 0.00 C ATOM 0 H ILE A 665 5.772 -14.086 -9.561 1.00 0.00 H new ATOM 0 HA ILE A 665 4.549 -15.095 -7.143 1.00 0.00 H new ATOM 0 HB ILE A 665 3.239 -14.075 -9.677 1.00 0.00 H new ATOM 0 HG12 ILE A 665 3.933 -12.761 -7.013 1.00 0.00 H new ATOM 0 HG13 ILE A 665 4.757 -12.459 -8.530 1.00 0.00 H new ATOM 0 HG21 ILE A 665 1.259 -13.834 -8.228 1.00 0.00 H new ATOM 0 HG22 ILE A 665 1.766 -15.536 -8.340 1.00 0.00 H new ATOM 0 HG23 ILE A 665 2.143 -14.591 -6.881 1.00 0.00 H new ATOM 0 HD11 ILE A 665 3.173 -10.660 -8.020 1.00 0.00 H new ATOM 0 HD12 ILE A 665 2.674 -11.528 -9.491 1.00 0.00 H new ATOM 0 HD13 ILE A 665 1.838 -11.834 -7.950 1.00 0.00 H new ATOM 1423 N VAL A 666 3.788 -17.441 -7.773 1.00 0.00 N ATOM 1424 CA VAL A 666 3.507 -18.844 -8.109 1.00 0.00 C ATOM 1425 C VAL A 666 2.442 -18.945 -9.205 1.00 0.00 C ATOM 1426 O VAL A 666 2.802 -19.538 -10.253 1.00 0.00 O ATOM 1427 CB VAL A 666 3.190 -19.657 -6.833 1.00 0.00 C ATOM 1428 CG1 VAL A 666 2.541 -21.025 -7.101 1.00 0.00 C ATOM 1429 CG2 VAL A 666 4.519 -19.913 -6.107 1.00 0.00 C ATOM 1430 OXT VAL A 666 1.329 -18.421 -8.995 1.00 0.00 O ATOM 0 H VAL A 666 3.690 -17.225 -6.781 1.00 0.00 H new ATOM 0 HA VAL A 666 4.400 -19.301 -8.535 1.00 0.00 H new ATOM 0 HB VAL A 666 2.476 -19.073 -6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 666 2.352 -21.530 -6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 666 1.599 -20.883 -7.631 1.00 0.00 H new ATOM 0 HG13 VAL A 666 3.211 -21.633 -7.708 1.00 0.00 H new ATOM 0 HG21 VAL A 666 4.333 -20.486 -5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 666 5.188 -20.474 -6.760 1.00 0.00 H new ATOM 0 HG23 VAL A 666 4.981 -18.961 -5.847 1.00 0.00 H new