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+ 180:sc= 0 (180deg=0) USER MOD Single : A 612 LYS NZ :NH3+ 173:sc= 1.02 (180deg=0.717) USER MOD Single : A 614 TYR OH : rot -136:sc= 0.949 USER MOD Single : A 618 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 THR OG1 : rot 158:sc= 0.902 USER MOD Single : A 625 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 629 THR OG1 : rot 101:sc= 1.28 USER MOD Single : A 631 MET CE :methyl -174:sc= -0.404 (180deg=-0.448) USER MOD Single : A 632 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 635 TYR OH : rot 180:sc= 0 USER MOD Single : A 636 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.039) USER MOD Single : A 638 SER OG : rot 180:sc= 0.00801 USER MOD Single : A 641 LYS NZ :NH3+ -112:sc= 2.36 (180deg=1.09) USER MOD Single : A 650 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.214) USER MOD Single : A 652 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00205) USER MOD Single : A 662 TYR OH : rot -1:sc= 0.622 USER MOD Single : A 664 LYS NZ :NH3+ 168:sc= 2.2 (180deg=1.77) USER MOD ----------------------------------------------------------------- ATOM 324 N ARG A 601 -3.878 -1.935 2.570 1.00 0.00 N ATOM 325 CA ARG A 601 -3.042 -3.054 2.165 1.00 0.00 C ATOM 326 C ARG A 601 -2.234 -3.560 3.365 1.00 0.00 C ATOM 327 O ARG A 601 -2.599 -3.312 4.511 1.00 0.00 O ATOM 328 CB ARG A 601 -2.200 -2.642 0.942 1.00 0.00 C ATOM 329 CG ARG A 601 -1.144 -1.569 1.247 1.00 0.00 C ATOM 330 CD ARG A 601 -0.838 -0.748 -0.008 1.00 0.00 C ATOM 331 NE ARG A 601 -1.748 0.411 -0.097 1.00 0.00 N ATOM 332 CZ ARG A 601 -1.458 1.686 0.201 1.00 0.00 C ATOM 333 NH1 ARG A 601 -0.210 2.078 0.464 1.00 0.00 N ATOM 334 NH2 ARG A 601 -2.449 2.570 0.251 1.00 0.00 N ATOM 0 HA ARG A 601 -3.642 -3.905 1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 601 -1.702 -3.525 0.542 1.00 0.00 H new ATOM 0 HB3 ARG A 601 -2.866 -2.271 0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 601 -1.502 -0.913 2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 601 -0.232 -2.041 1.612 1.00 0.00 H new ATOM 0 HD2 ARG A 601 0.197 -0.406 0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 601 -0.946 -1.373 -0.895 1.00 0.00 H new ATOM 0 HE ARG A 601 -2.697 0.222 -0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 601 0.553 1.401 0.441 1.00 0.00 H new ATOM 0 HH12 ARG A 601 -0.019 3.055 0.688 1.00 0.00 H new ATOM 0 HH21 ARG A 601 -3.407 2.273 0.065 1.00 0.00 H new ATOM 0 HH22 ARG A 601 -2.252 3.545 0.476 1.00 0.00 H new ATOM 348 N ASP A 602 -1.177 -4.322 3.092 1.00 0.00 N ATOM 349 CA ASP A 602 -0.512 -5.252 3.996 1.00 0.00 C ATOM 350 C ASP A 602 0.942 -5.343 3.570 1.00 0.00 C ATOM 351 O ASP A 602 1.186 -5.247 2.372 1.00 0.00 O ATOM 352 CB ASP A 602 -1.238 -6.586 3.767 1.00 0.00 C ATOM 353 CG ASP A 602 -0.632 -7.872 4.323 1.00 0.00 C ATOM 354 OD1 ASP A 602 0.425 -7.832 4.990 1.00 0.00 O ATOM 355 OD2 ASP A 602 -1.210 -8.919 3.951 1.00 0.00 O ATOM 0 H ASP A 602 -0.735 -4.303 2.173 1.00 0.00 H new ATOM 0 HA ASP A 602 -0.541 -4.962 5.046 1.00 0.00 H new ATOM 0 HB2 ASP A 602 -2.240 -6.489 4.184 1.00 0.00 H new ATOM 0 HB3 ASP A 602 -1.352 -6.716 2.691 1.00 0.00 H new ATOM 360 N LYS A 603 1.891 -5.589 4.485 1.00 0.00 N ATOM 361 CA LYS A 603 3.293 -5.802 4.120 1.00 0.00 C ATOM 362 C LYS A 603 3.410 -6.856 3.019 1.00 0.00 C ATOM 363 O LYS A 603 4.146 -6.658 2.051 1.00 0.00 O ATOM 364 CB LYS A 603 4.156 -6.259 5.304 1.00 0.00 C ATOM 365 CG LYS A 603 4.213 -5.378 6.557 1.00 0.00 C ATOM 366 CD LYS A 603 5.459 -5.792 7.368 1.00 0.00 C ATOM 367 CE LYS A 603 5.457 -5.290 8.812 1.00 0.00 C ATOM 368 NZ LYS A 603 4.684 -6.196 9.689 1.00 0.00 N ATOM 0 H LYS A 603 1.708 -5.645 5.487 1.00 0.00 H new ATOM 0 HA LYS A 603 3.659 -4.835 3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 603 3.804 -7.244 5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 603 5.176 -6.383 4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 603 4.269 -4.325 6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 603 3.310 -5.504 7.154 1.00 0.00 H new ATOM 0 HD2 LYS A 603 5.532 -6.880 7.373 1.00 0.00 H new ATOM 0 HD3 LYS A 603 6.349 -5.415 6.864 1.00 0.00 H new ATOM 0 HE2 LYS A 603 6.482 -5.214 9.175 1.00 0.00 H new ATOM 0 HE3 LYS A 603 5.030 -4.288 8.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 4.699 -5.832 10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 3.701 -6.248 9.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 5.108 -7.145 9.668 1.00 0.00 H new ATOM 382 N PHE A 604 2.661 -7.958 3.144 1.00 0.00 N ATOM 383 CA PHE A 604 2.671 -9.015 2.145 1.00 0.00 C ATOM 384 C PHE A 604 2.223 -8.473 0.785 1.00 0.00 C ATOM 385 O PHE A 604 2.820 -8.801 -0.238 1.00 0.00 O ATOM 386 CB PHE A 604 1.782 -10.180 2.616 1.00 0.00 C ATOM 387 CG PHE A 604 2.104 -10.742 3.997 1.00 0.00 C ATOM 388 CD1 PHE A 604 3.434 -10.852 4.452 1.00 0.00 C ATOM 389 CD2 PHE A 604 1.056 -11.132 4.854 1.00 0.00 C ATOM 390 CE1 PHE A 604 3.706 -11.305 5.754 1.00 0.00 C ATOM 391 CE2 PHE A 604 1.329 -11.602 6.151 1.00 0.00 C ATOM 392 CZ PHE A 604 2.656 -11.682 6.605 1.00 0.00 C ATOM 0 H PHE A 604 2.040 -8.134 3.934 1.00 0.00 H new ATOM 0 HA PHE A 604 3.687 -9.390 2.024 1.00 0.00 H new ATOM 0 HB2 PHE A 604 0.745 -9.845 2.613 1.00 0.00 H new ATOM 0 HB3 PHE A 604 1.858 -10.988 1.888 1.00 0.00 H new ATOM 0 HD1 PHE A 604 4.249 -10.586 3.795 1.00 0.00 H new ATOM 0 HD2 PHE A 604 0.034 -11.069 4.512 1.00 0.00 H new ATOM 0 HE1 PHE A 604 4.727 -11.363 6.101 1.00 0.00 H new ATOM 0 HE2 PHE A 604 0.518 -11.902 6.798 1.00 0.00 H new ATOM 0 HZ PHE A 604 2.867 -12.032 7.605 1.00 0.00 H new ATOM 402 N ARG A 605 1.207 -7.603 0.774 1.00 0.00 N ATOM 403 CA ARG A 605 0.706 -6.964 -0.435 1.00 0.00 C ATOM 404 C ARG A 605 1.681 -5.905 -0.952 1.00 0.00 C ATOM 405 O ARG A 605 1.879 -5.860 -2.160 1.00 0.00 O ATOM 406 CB ARG A 605 -0.707 -6.394 -0.212 1.00 0.00 C ATOM 407 CG ARG A 605 -1.801 -7.461 -0.406 1.00 0.00 C ATOM 408 CD ARG A 605 -2.049 -8.365 0.815 1.00 0.00 C ATOM 409 NE ARG A 605 -2.733 -9.612 0.442 1.00 0.00 N ATOM 410 CZ ARG A 605 -2.995 -10.649 1.254 1.00 0.00 C ATOM 411 NH1 ARG A 605 -2.616 -10.665 2.532 1.00 0.00 N ATOM 412 NH2 ARG A 605 -3.660 -11.698 0.766 1.00 0.00 N ATOM 0 H ARG A 605 0.707 -7.323 1.618 1.00 0.00 H new ATOM 0 HA ARG A 605 0.628 -7.725 -1.212 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -0.777 -5.983 0.795 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -0.878 -5.570 -0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.734 -6.961 -0.665 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -1.530 -8.088 -1.255 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -1.098 -8.601 1.292 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -2.649 -7.827 1.549 1.00 0.00 H new ATOM 0 HE ARG A 605 -3.038 -9.698 -0.528 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -2.109 -9.871 2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -2.833 -11.471 3.118 1.00 0.00 H new ATOM 0 HH21 ARG A 605 -3.960 -11.703 -0.209 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -3.868 -12.495 1.368 1.00 0.00 H new ATOM 426 N LEU A 606 2.327 -5.113 -0.084 1.00 0.00 N ATOM 427 CA LEU A 606 3.351 -4.142 -0.426 1.00 0.00 C ATOM 428 C LEU A 606 4.418 -4.861 -1.236 1.00 0.00 C ATOM 429 O LEU A 606 4.719 -4.418 -2.338 1.00 0.00 O ATOM 430 CB LEU A 606 3.975 -3.483 0.828 1.00 0.00 C ATOM 431 CG LEU A 606 3.078 -2.590 1.713 1.00 0.00 C ATOM 432 CD1 LEU A 606 3.908 -2.016 2.867 1.00 0.00 C ATOM 433 CD2 LEU A 606 2.499 -1.426 0.911 1.00 0.00 C ATOM 0 H LEU A 606 2.134 -5.141 0.917 1.00 0.00 H new ATOM 0 HA LEU A 606 2.901 -3.335 -1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 606 4.375 -4.279 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 606 4.822 -2.881 0.500 1.00 0.00 H new ATOM 0 HG LEU A 606 2.261 -3.204 2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 606 3.275 -1.386 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 606 4.312 -2.832 3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 606 4.728 -1.421 2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 606 1.872 -0.814 1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 606 3.312 -0.818 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 606 1.900 -1.814 0.087 1.00 0.00 H new ATOM 445 N LEU A 607 4.938 -5.992 -0.730 1.00 0.00 N ATOM 446 CA LEU A 607 5.942 -6.737 -1.473 1.00 0.00 C ATOM 447 C LEU A 607 5.360 -7.243 -2.796 1.00 0.00 C ATOM 448 O LEU A 607 5.968 -7.063 -3.850 1.00 0.00 O ATOM 449 CB LEU A 607 6.545 -7.889 -0.640 1.00 0.00 C ATOM 450 CG LEU A 607 7.647 -8.675 -1.394 1.00 0.00 C ATOM 451 CD1 LEU A 607 9.035 -8.140 -1.053 1.00 0.00 C ATOM 452 CD2 LEU A 607 7.592 -10.171 -1.057 1.00 0.00 C ATOM 0 H LEU A 607 4.681 -6.395 0.171 1.00 0.00 H new ATOM 0 HA LEU A 607 6.763 -6.056 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 607 6.963 -7.483 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 607 5.749 -8.576 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 607 7.461 -8.541 -2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 607 9.788 -8.710 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 607 9.100 -7.090 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 607 9.209 -8.237 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 607 8.377 -10.696 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 607 7.739 -10.308 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 607 6.621 -10.573 -1.344 1.00 0.00 H new ATOM 464 N LEU A 608 4.186 -7.882 -2.739 1.00 0.00 N ATOM 465 CA LEU A 608 3.562 -8.558 -3.859 1.00 0.00 C ATOM 466 C LEU A 608 3.331 -7.588 -5.015 1.00 0.00 C ATOM 467 O LEU A 608 3.570 -7.959 -6.161 1.00 0.00 O ATOM 468 CB LEU A 608 2.252 -9.188 -3.361 1.00 0.00 C ATOM 469 CG LEU A 608 1.511 -10.017 -4.412 1.00 0.00 C ATOM 470 CD1 LEU A 608 2.269 -11.309 -4.730 1.00 0.00 C ATOM 471 CD2 LEU A 608 0.105 -10.360 -3.905 1.00 0.00 C ATOM 0 H LEU A 608 3.635 -7.939 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 608 4.213 -9.343 -4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 608 2.472 -9.823 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 608 1.592 -8.395 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 608 1.441 -9.425 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 608 1.719 -11.878 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 608 3.259 -11.065 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 608 2.368 -11.905 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 608 -0.419 -10.950 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 608 0.181 -10.934 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 608 -0.448 -9.440 -3.716 1.00 0.00 H new ATOM 483 N GLU A 609 2.923 -6.350 -4.719 1.00 0.00 N ATOM 484 CA GLU A 609 2.732 -5.285 -5.697 1.00 0.00 C ATOM 485 C GLU A 609 3.990 -5.094 -6.551 1.00 0.00 C ATOM 486 O GLU A 609 3.893 -5.094 -7.789 1.00 0.00 O ATOM 487 CB GLU A 609 2.358 -3.975 -4.988 1.00 0.00 C ATOM 488 CG GLU A 609 0.956 -3.969 -4.345 1.00 0.00 C ATOM 489 CD GLU A 609 -0.033 -3.103 -5.128 1.00 0.00 C ATOM 490 OE1 GLU A 609 -0.191 -3.381 -6.342 1.00 0.00 O ATOM 491 OE2 GLU A 609 -0.629 -2.193 -4.514 1.00 0.00 O ATOM 0 H GLU A 609 2.712 -6.057 -3.765 1.00 0.00 H new ATOM 0 HA GLU A 609 1.915 -5.570 -6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 609 3.099 -3.772 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 609 2.416 -3.158 -5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 609 0.579 -4.990 -4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 609 1.029 -3.601 -3.322 1.00 0.00 H new ATOM 498 N LEU A 610 5.161 -4.990 -5.898 1.00 0.00 N ATOM 499 CA LEU A 610 6.419 -4.815 -6.618 1.00 0.00 C ATOM 500 C LEU A 610 6.720 -6.049 -7.460 1.00 0.00 C ATOM 501 O LEU A 610 7.255 -5.900 -8.552 1.00 0.00 O ATOM 502 CB LEU A 610 7.638 -4.582 -5.696 1.00 0.00 C ATOM 503 CG LEU A 610 7.871 -3.221 -5.022 1.00 0.00 C ATOM 504 CD1 LEU A 610 7.755 -2.033 -5.968 1.00 0.00 C ATOM 505 CD2 LEU A 610 6.943 -3.007 -3.838 1.00 0.00 C ATOM 0 H LEU A 610 5.255 -5.025 -4.883 1.00 0.00 H new ATOM 0 HA LEU A 610 6.277 -3.925 -7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 610 7.585 -5.327 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 610 8.529 -4.805 -6.283 1.00 0.00 H new ATOM 0 HG LEU A 610 8.904 -3.264 -4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 610 7.933 -1.110 -5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 610 8.494 -2.128 -6.764 1.00 0.00 H new ATOM 0 HD13 LEU A 610 6.755 -2.010 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 610 7.142 -2.033 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 610 5.907 -3.047 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 610 7.113 -3.788 -3.097 1.00 0.00 H new ATOM 517 N ILE A 611 6.368 -7.259 -7.000 1.00 0.00 N ATOM 518 CA ILE A 611 6.580 -8.451 -7.818 1.00 0.00 C ATOM 519 C ILE A 611 5.770 -8.300 -9.109 1.00 0.00 C ATOM 520 O ILE A 611 6.294 -8.626 -10.170 1.00 0.00 O ATOM 521 CB ILE A 611 6.288 -9.780 -7.074 1.00 0.00 C ATOM 522 CG1 ILE A 611 7.055 -9.878 -5.740 1.00 0.00 C ATOM 523 CG2 ILE A 611 6.718 -10.971 -7.952 1.00 0.00 C ATOM 524 CD1 ILE A 611 6.650 -11.064 -4.868 1.00 0.00 C ATOM 0 H ILE A 611 5.946 -7.431 -6.088 1.00 0.00 H new ATOM 0 HA ILE A 611 7.640 -8.522 -8.060 1.00 0.00 H new ATOM 0 HB ILE A 611 5.218 -9.803 -6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 611 8.122 -9.946 -5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 611 6.900 -8.958 -5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 611 6.512 -11.903 -7.427 1.00 0.00 H new ATOM 0 HG22 ILE A 611 6.162 -10.952 -8.889 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.785 -10.901 -8.162 1.00 0.00 H new ATOM 0 HD11 ILE A 611 7.237 -11.058 -3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 611 5.591 -10.990 -4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.832 -11.992 -5.409 1.00 0.00 H new ATOM 536 N LYS A 612 4.559 -7.718 -9.067 1.00 0.00 N ATOM 537 CA LYS A 612 3.739 -7.590 -10.272 1.00 0.00 C ATOM 538 C LYS A 612 4.428 -6.628 -11.219 1.00 0.00 C ATOM 539 O LYS A 612 4.574 -6.917 -12.406 1.00 0.00 O ATOM 540 CB LYS A 612 2.323 -7.045 -10.007 1.00 0.00 C ATOM 541 CG LYS A 612 1.560 -7.707 -8.857 1.00 0.00 C ATOM 542 CD LYS A 612 0.071 -7.325 -8.839 1.00 0.00 C ATOM 543 CE LYS A 612 -0.236 -6.095 -7.975 1.00 0.00 C ATOM 544 NZ LYS A 612 0.412 -4.849 -8.439 1.00 0.00 N ATOM 0 H LYS A 612 4.136 -7.335 -8.222 1.00 0.00 H new ATOM 0 HA LYS A 612 3.632 -8.593 -10.685 1.00 0.00 H new ATOM 0 HB2 LYS A 612 2.397 -5.977 -9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 612 1.735 -7.154 -10.919 1.00 0.00 H new ATOM 0 HG2 LYS A 612 1.653 -8.790 -8.940 1.00 0.00 H new ATOM 0 HG3 LYS A 612 2.017 -7.420 -7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 612 -0.259 -7.133 -9.860 1.00 0.00 H new ATOM 0 HD3 LYS A 612 -0.508 -8.172 -8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 612 -1.315 -5.942 -7.951 1.00 0.00 H new ATOM 0 HE3 LYS A 612 0.080 -6.296 -6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 612 0.063 -4.046 -7.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 612 1.442 -4.930 -8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 612 0.187 -4.693 -9.442 1.00 0.00 H new ATOM 558 N GLU A 613 4.824 -5.472 -10.677 1.00 0.00 N ATOM 559 CA GLU A 613 5.276 -4.360 -11.487 1.00 0.00 C ATOM 560 C GLU A 613 6.651 -4.625 -12.105 1.00 0.00 C ATOM 561 O GLU A 613 7.036 -3.919 -13.034 1.00 0.00 O ATOM 562 CB GLU A 613 5.172 -3.055 -10.682 1.00 0.00 C ATOM 563 CG GLU A 613 6.447 -2.741 -9.899 1.00 0.00 C ATOM 564 CD GLU A 613 6.406 -1.422 -9.129 1.00 0.00 C ATOM 565 OE1 GLU A 613 5.359 -1.047 -8.546 1.00 0.00 O ATOM 566 OE2 GLU A 613 7.467 -0.770 -9.061 1.00 0.00 O ATOM 0 H GLU A 613 4.837 -5.291 -9.673 1.00 0.00 H new ATOM 0 HA GLU A 613 4.618 -4.243 -12.349 1.00 0.00 H new ATOM 0 HB2 GLU A 613 4.955 -2.230 -11.361 1.00 0.00 H new ATOM 0 HB3 GLU A 613 4.333 -3.126 -9.989 1.00 0.00 H new ATOM 0 HG2 GLU A 613 6.636 -3.552 -9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 613 7.288 -2.717 -10.592 1.00 0.00 H new ATOM 573 N TYR A 614 7.366 -5.651 -11.621 1.00 0.00 N ATOM 574 CA TYR A 614 8.724 -5.942 -12.031 1.00 0.00 C ATOM 575 C TYR A 614 8.820 -7.293 -12.721 1.00 0.00 C ATOM 576 O TYR A 614 9.762 -7.502 -13.480 1.00 0.00 O ATOM 577 CB TYR A 614 9.695 -5.843 -10.847 1.00 0.00 C ATOM 578 CG TYR A 614 10.303 -4.468 -10.695 1.00 0.00 C ATOM 579 CD1 TYR A 614 11.317 -4.066 -11.584 1.00 0.00 C ATOM 580 CD2 TYR A 614 9.820 -3.576 -9.724 1.00 0.00 C ATOM 581 CE1 TYR A 614 11.833 -2.762 -11.524 1.00 0.00 C ATOM 582 CE2 TYR A 614 10.326 -2.266 -9.663 1.00 0.00 C ATOM 583 CZ TYR A 614 11.337 -1.852 -10.562 1.00 0.00 C ATOM 584 OH TYR A 614 11.858 -0.596 -10.511 1.00 0.00 O ATOM 0 H TYR A 614 7.002 -6.303 -10.926 1.00 0.00 H new ATOM 0 HA TYR A 614 9.017 -5.186 -12.760 1.00 0.00 H new ATOM 0 HB2 TYR A 614 9.168 -6.105 -9.929 1.00 0.00 H new ATOM 0 HB3 TYR A 614 10.493 -6.575 -10.976 1.00 0.00 H new ATOM 0 HD1 TYR A 614 11.699 -4.763 -12.315 1.00 0.00 H new ATOM 0 HD2 TYR A 614 9.061 -3.896 -9.025 1.00 0.00 H new ATOM 0 HE1 TYR A 614 12.607 -2.454 -12.211 1.00 0.00 H new ATOM 0 HE2 TYR A 614 9.942 -1.574 -8.928 1.00 0.00 H new ATOM 0 HH TYR A 614 12.021 -0.347 -9.577 1.00 0.00 H new ATOM 594 N GLU A 615 7.858 -8.198 -12.514 1.00 0.00 N ATOM 595 CA GLU A 615 7.814 -9.446 -13.242 1.00 0.00 C ATOM 596 C GLU A 615 7.679 -9.167 -14.731 1.00 0.00 C ATOM 597 O GLU A 615 8.566 -9.540 -15.499 1.00 0.00 O ATOM 598 CB GLU A 615 6.658 -10.333 -12.754 1.00 0.00 C ATOM 599 CG GLU A 615 7.143 -11.456 -11.828 1.00 0.00 C ATOM 600 CD GLU A 615 6.154 -12.620 -11.789 1.00 0.00 C ATOM 601 OE1 GLU A 615 6.108 -13.384 -12.780 1.00 0.00 O ATOM 602 OE2 GLU A 615 5.499 -12.797 -10.743 1.00 0.00 O ATOM 0 H GLU A 615 7.100 -8.078 -11.842 1.00 0.00 H new ATOM 0 HA GLU A 615 8.744 -9.985 -13.061 1.00 0.00 H new ATOM 0 HB2 GLU A 615 5.928 -9.719 -12.227 1.00 0.00 H new ATOM 0 HB3 GLU A 615 6.147 -10.768 -13.613 1.00 0.00 H new ATOM 0 HG2 GLU A 615 8.114 -11.815 -12.168 1.00 0.00 H new ATOM 0 HG3 GLU A 615 7.283 -11.063 -10.821 1.00 0.00 H new ATOM 609 N ASP A 616 6.573 -8.534 -15.136 1.00 0.00 N ATOM 610 CA ASP A 616 6.164 -8.447 -16.535 1.00 0.00 C ATOM 611 C ASP A 616 7.240 -7.750 -17.367 1.00 0.00 C ATOM 612 O ASP A 616 7.494 -8.128 -18.508 1.00 0.00 O ATOM 613 CB ASP A 616 4.828 -7.698 -16.620 1.00 0.00 C ATOM 614 CG ASP A 616 4.197 -7.857 -18.005 1.00 0.00 C ATOM 615 OD1 ASP A 616 3.907 -9.021 -18.364 1.00 0.00 O ATOM 616 OD2 ASP A 616 3.979 -6.817 -18.665 1.00 0.00 O ATOM 0 H ASP A 616 5.934 -8.065 -14.494 1.00 0.00 H new ATOM 0 HA ASP A 616 6.036 -9.450 -16.941 1.00 0.00 H new ATOM 0 HB2 ASP A 616 4.145 -8.078 -15.860 1.00 0.00 H new ATOM 0 HB3 ASP A 616 4.986 -6.641 -16.408 1.00 0.00 H new ATOM 621 N ASP A 617 7.942 -6.810 -16.729 1.00 0.00 N ATOM 622 CA ASP A 617 8.994 -6.001 -17.312 1.00 0.00 C ATOM 623 C ASP A 617 10.227 -6.834 -17.635 1.00 0.00 C ATOM 624 O ASP A 617 10.851 -6.682 -18.682 1.00 0.00 O ATOM 625 CB ASP A 617 9.358 -4.933 -16.291 1.00 0.00 C ATOM 626 CG ASP A 617 10.354 -3.912 -16.853 1.00 0.00 C ATOM 627 OD1 ASP A 617 9.984 -3.213 -17.821 1.00 0.00 O ATOM 628 OD2 ASP A 617 11.467 -3.831 -16.291 1.00 0.00 O ATOM 0 H ASP A 617 7.778 -6.589 -15.747 1.00 0.00 H new ATOM 0 HA ASP A 617 8.643 -5.563 -18.247 1.00 0.00 H new ATOM 0 HB2 ASP A 617 8.454 -4.417 -15.969 1.00 0.00 H new ATOM 0 HB3 ASP A 617 9.786 -5.407 -15.408 1.00 0.00 H new ATOM 633 N TYR A 618 10.563 -7.749 -16.722 1.00 0.00 N ATOM 634 CA TYR A 618 11.722 -8.621 -16.822 1.00 0.00 C ATOM 635 C TYR A 618 11.370 -9.929 -17.531 1.00 0.00 C ATOM 636 O TYR A 618 12.271 -10.714 -17.852 1.00 0.00 O ATOM 637 CB TYR A 618 12.258 -8.842 -15.406 1.00 0.00 C ATOM 638 CG TYR A 618 13.237 -7.757 -14.990 1.00 0.00 C ATOM 639 CD1 TYR A 618 12.773 -6.478 -14.630 1.00 0.00 C ATOM 640 CD2 TYR A 618 14.623 -7.995 -15.065 1.00 0.00 C ATOM 641 CE1 TYR A 618 13.682 -5.441 -14.356 1.00 0.00 C ATOM 642 CE2 TYR A 618 15.542 -6.968 -14.781 1.00 0.00 C ATOM 643 CZ TYR A 618 15.071 -5.681 -14.428 1.00 0.00 C ATOM 644 OH TYR A 618 15.948 -4.674 -14.156 1.00 0.00 O ATOM 0 H TYR A 618 10.018 -7.903 -15.873 1.00 0.00 H new ATOM 0 HA TYR A 618 12.500 -8.161 -17.431 1.00 0.00 H new ATOM 0 HB2 TYR A 618 11.425 -8.867 -14.703 1.00 0.00 H new ATOM 0 HB3 TYR A 618 12.750 -9.813 -15.352 1.00 0.00 H new ATOM 0 HD1 TYR A 618 11.711 -6.292 -14.564 1.00 0.00 H new ATOM 0 HD2 TYR A 618 14.984 -8.974 -15.343 1.00 0.00 H new ATOM 0 HE1 TYR A 618 13.317 -4.460 -14.090 1.00 0.00 H new ATOM 0 HE2 TYR A 618 16.603 -7.161 -14.832 1.00 0.00 H new ATOM 0 HH TYR A 618 16.866 -5.005 -14.250 1.00 0.00 H new ATOM 654 N GLY A 619 10.077 -10.151 -17.792 1.00 0.00 N ATOM 655 CA GLY A 619 9.580 -11.308 -18.535 1.00 0.00 C ATOM 656 C GLY A 619 9.056 -12.395 -17.612 1.00 0.00 C ATOM 657 O GLY A 619 9.359 -13.575 -17.784 1.00 0.00 O ATOM 0 H GLY A 619 9.336 -9.520 -17.487 1.00 0.00 H new ATOM 0 HA2 GLY A 619 8.785 -10.991 -19.210 1.00 0.00 H new ATOM 0 HA3 GLY A 619 10.381 -11.713 -19.154 1.00 0.00 H new ATOM 661 N GLY A 620 8.299 -11.979 -16.605 1.00 0.00 N ATOM 662 CA GLY A 620 7.732 -12.818 -15.578 1.00 0.00 C ATOM 663 C GLY A 620 8.767 -13.254 -14.543 1.00 0.00 C ATOM 664 O GLY A 620 8.754 -14.417 -14.128 1.00 0.00 O ATOM 0 H GLY A 620 8.056 -10.996 -16.484 1.00 0.00 H new ATOM 0 HA2 GLY A 620 6.926 -12.281 -15.078 1.00 0.00 H new ATOM 0 HA3 GLY A 620 7.288 -13.701 -16.038 1.00 0.00 H new ATOM 668 N ARG A 621 9.696 -12.353 -14.180 1.00 0.00 N ATOM 669 CA ARG A 621 10.850 -12.673 -13.338 1.00 0.00 C ATOM 670 C ARG A 621 11.397 -11.405 -12.647 1.00 0.00 C ATOM 671 O ARG A 621 12.355 -10.794 -13.108 1.00 0.00 O ATOM 672 CB ARG A 621 11.881 -13.313 -14.274 1.00 0.00 C ATOM 673 CG ARG A 621 13.042 -14.001 -13.559 1.00 0.00 C ATOM 674 CD ARG A 621 14.159 -14.439 -14.521 1.00 0.00 C ATOM 675 NE ARG A 621 14.943 -13.292 -15.019 1.00 0.00 N ATOM 676 CZ ARG A 621 14.693 -12.532 -16.098 1.00 0.00 C ATOM 677 NH1 ARG A 621 13.706 -12.828 -16.943 1.00 0.00 N ATOM 678 NH2 ARG A 621 15.433 -11.449 -16.330 1.00 0.00 N ATOM 0 H ARG A 621 9.662 -11.375 -14.468 1.00 0.00 H new ATOM 0 HA ARG A 621 10.588 -13.355 -12.529 1.00 0.00 H new ATOM 0 HB2 ARG A 621 11.376 -14.043 -14.906 1.00 0.00 H new ATOM 0 HB3 ARG A 621 12.282 -12.543 -14.934 1.00 0.00 H new ATOM 0 HG2 ARG A 621 13.456 -13.323 -12.813 1.00 0.00 H new ATOM 0 HG3 ARG A 621 12.667 -14.873 -13.023 1.00 0.00 H new ATOM 0 HD2 ARG A 621 14.823 -15.138 -14.011 1.00 0.00 H new ATOM 0 HD3 ARG A 621 13.722 -14.973 -15.365 1.00 0.00 H new ATOM 0 HE ARG A 621 15.773 -13.047 -14.480 1.00 0.00 H new ATOM 0 HH11 ARG A 621 13.121 -13.647 -16.777 1.00 0.00 H new ATOM 0 HH12 ARG A 621 13.535 -12.236 -17.756 1.00 0.00 H new ATOM 0 HH21 ARG A 621 16.186 -11.199 -15.689 1.00 0.00 H new ATOM 0 HH22 ARG A 621 15.246 -10.869 -17.148 1.00 0.00 H new ATOM 692 N ALA A 622 10.775 -10.986 -11.550 1.00 0.00 N ATOM 693 CA ALA A 622 11.047 -9.728 -10.845 1.00 0.00 C ATOM 694 C ALA A 622 12.366 -9.789 -10.046 1.00 0.00 C ATOM 695 O ALA A 622 12.500 -10.676 -9.211 1.00 0.00 O ATOM 696 CB ALA A 622 9.893 -9.441 -9.879 1.00 0.00 C ATOM 0 H ALA A 622 10.037 -11.532 -11.106 1.00 0.00 H new ATOM 0 HA ALA A 622 11.141 -8.937 -11.589 1.00 0.00 H new ATOM 0 HB1 ALA A 622 10.085 -8.508 -9.350 1.00 0.00 H new ATOM 0 HB2 ALA A 622 8.962 -9.355 -10.440 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.810 -10.256 -9.160 1.00 0.00 H new ATOM 702 N PRO A 623 13.348 -8.890 -10.243 1.00 0.00 N ATOM 703 CA PRO A 623 14.632 -8.923 -9.535 1.00 0.00 C ATOM 704 C PRO A 623 14.484 -8.580 -8.043 1.00 0.00 C ATOM 705 O PRO A 623 14.077 -7.476 -7.672 1.00 0.00 O ATOM 706 CB PRO A 623 15.538 -7.943 -10.281 1.00 0.00 C ATOM 707 CG PRO A 623 14.555 -6.958 -10.905 1.00 0.00 C ATOM 708 CD PRO A 623 13.311 -7.785 -11.181 1.00 0.00 C ATOM 0 HA PRO A 623 15.061 -9.925 -9.534 1.00 0.00 H new ATOM 0 HB2 PRO A 623 16.233 -7.444 -9.605 1.00 0.00 H new ATOM 0 HB3 PRO A 623 16.137 -8.447 -11.039 1.00 0.00 H new ATOM 0 HG2 PRO A 623 14.340 -6.130 -10.229 1.00 0.00 H new ATOM 0 HG3 PRO A 623 14.955 -6.525 -11.822 1.00 0.00 H new ATOM 0 HD2 PRO A 623 12.409 -7.189 -11.046 1.00 0.00 H new ATOM 0 HD3 PRO A 623 13.303 -8.146 -12.209 1.00 0.00 H new ATOM 716 N THR A 624 14.851 -9.525 -7.174 1.00 0.00 N ATOM 717 CA THR A 624 14.585 -9.500 -5.740 1.00 0.00 C ATOM 718 C THR A 624 15.356 -8.363 -5.062 1.00 0.00 C ATOM 719 O THR A 624 14.849 -7.726 -4.137 1.00 0.00 O ATOM 720 CB THR A 624 14.937 -10.884 -5.155 1.00 0.00 C ATOM 721 OG1 THR A 624 14.309 -11.865 -5.953 1.00 0.00 O ATOM 722 CG2 THR A 624 14.471 -11.049 -3.710 1.00 0.00 C ATOM 0 H THR A 624 15.361 -10.359 -7.465 1.00 0.00 H new ATOM 0 HA THR A 624 13.530 -9.302 -5.554 1.00 0.00 H new ATOM 0 HB THR A 624 16.022 -10.988 -5.157 1.00 0.00 H new ATOM 0 HG1 THR A 624 14.777 -12.720 -5.849 1.00 0.00 H new ATOM 0 HG21 THR A 624 14.745 -12.041 -3.350 1.00 0.00 H new ATOM 0 HG22 THR A 624 14.946 -10.292 -3.086 1.00 0.00 H new ATOM 0 HG23 THR A 624 13.388 -10.932 -3.661 1.00 0.00 H new ATOM 730 N ASN A 625 16.558 -8.045 -5.556 1.00 0.00 N ATOM 731 CA ASN A 625 17.334 -6.934 -5.019 1.00 0.00 C ATOM 732 C ASN A 625 16.656 -5.587 -5.293 1.00 0.00 C ATOM 733 O ASN A 625 16.765 -4.662 -4.481 1.00 0.00 O ATOM 734 CB ASN A 625 18.759 -6.942 -5.588 1.00 0.00 C ATOM 735 CG ASN A 625 19.520 -8.198 -5.182 1.00 0.00 C ATOM 736 OD1 ASN A 625 19.542 -9.175 -5.919 1.00 0.00 O ATOM 737 ND2 ASN A 625 20.127 -8.209 -4.002 1.00 0.00 N ATOM 0 H ASN A 625 17.009 -8.542 -6.324 1.00 0.00 H new ATOM 0 HA ASN A 625 17.388 -7.065 -3.938 1.00 0.00 H new ATOM 0 HB2 ASN A 625 18.717 -6.877 -6.675 1.00 0.00 H new ATOM 0 HB3 ASN A 625 19.296 -6.061 -5.237 1.00 0.00 H new ATOM 0 HD21 ASN A 625 20.625 -9.043 -3.693 1.00 0.00 H new ATOM 0 HD22 ASN A 625 20.095 -7.383 -3.404 1.00 0.00 H new ATOM 744 N ILE A 626 15.938 -5.470 -6.418 1.00 0.00 N ATOM 745 CA ILE A 626 15.181 -4.267 -6.724 1.00 0.00 C ATOM 746 C ILE A 626 13.924 -4.258 -5.863 1.00 0.00 C ATOM 747 O ILE A 626 13.630 -3.216 -5.298 1.00 0.00 O ATOM 748 CB ILE A 626 14.863 -4.163 -8.226 1.00 0.00 C ATOM 749 CG1 ILE A 626 16.125 -4.259 -9.117 1.00 0.00 C ATOM 750 CG2 ILE A 626 14.082 -2.879 -8.535 1.00 0.00 C ATOM 751 CD1 ILE A 626 17.185 -3.174 -8.876 1.00 0.00 C ATOM 0 H ILE A 626 15.871 -6.200 -7.127 1.00 0.00 H new ATOM 0 HA ILE A 626 15.778 -3.386 -6.490 1.00 0.00 H new ATOM 0 HB ILE A 626 14.239 -5.023 -8.468 1.00 0.00 H new ATOM 0 HG12 ILE A 626 16.586 -5.234 -8.961 1.00 0.00 H new ATOM 0 HG13 ILE A 626 15.816 -4.216 -10.161 1.00 0.00 H new ATOM 0 HG21 ILE A 626 13.870 -2.830 -9.603 1.00 0.00 H new ATOM 0 HG22 ILE A 626 13.145 -2.881 -7.979 1.00 0.00 H new ATOM 0 HG23 ILE A 626 14.676 -2.013 -8.243 1.00 0.00 H new ATOM 0 HD11 ILE A 626 18.027 -3.332 -9.550 1.00 0.00 H new ATOM 0 HD12 ILE A 626 16.750 -2.192 -9.063 1.00 0.00 H new ATOM 0 HD13 ILE A 626 17.532 -3.227 -7.844 1.00 0.00 H new ATOM 763 N LEU A 627 13.234 -5.394 -5.685 1.00 0.00 N ATOM 764 CA LEU A 627 12.105 -5.497 -4.755 1.00 0.00 C ATOM 765 C LEU A 627 12.455 -4.943 -3.375 1.00 0.00 C ATOM 766 O LEU A 627 11.687 -4.155 -2.829 1.00 0.00 O ATOM 767 CB LEU A 627 11.643 -6.958 -4.619 1.00 0.00 C ATOM 768 CG LEU A 627 10.505 -7.305 -5.589 1.00 0.00 C ATOM 769 CD1 LEU A 627 10.847 -8.479 -6.508 1.00 0.00 C ATOM 770 CD2 LEU A 627 9.259 -7.591 -4.762 1.00 0.00 C ATOM 0 H LEU A 627 13.443 -6.261 -6.179 1.00 0.00 H new ATOM 0 HA LEU A 627 11.295 -4.898 -5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 627 12.488 -7.622 -4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 627 11.312 -7.138 -3.596 1.00 0.00 H new ATOM 0 HG LEU A 627 10.335 -6.459 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 627 10.006 -8.679 -7.171 1.00 0.00 H new ATOM 0 HD12 LEU A 627 11.727 -8.232 -7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 627 11.053 -9.364 -5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 627 8.431 -7.841 -5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 627 9.452 -8.428 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 627 9.000 -6.709 -4.176 1.00 0.00 H new ATOM 782 N ILE A 628 13.604 -5.346 -2.824 1.00 0.00 N ATOM 783 CA ILE A 628 14.093 -4.844 -1.542 1.00 0.00 C ATOM 784 C ILE A 628 14.257 -3.323 -1.646 1.00 0.00 C ATOM 785 O ILE A 628 13.586 -2.577 -0.927 1.00 0.00 O ATOM 786 CB ILE A 628 15.380 -5.600 -1.130 1.00 0.00 C ATOM 787 CG1 ILE A 628 15.054 -7.078 -0.795 1.00 0.00 C ATOM 788 CG2 ILE A 628 16.051 -4.926 0.078 1.00 0.00 C ATOM 789 CD1 ILE A 628 16.288 -7.988 -0.734 1.00 0.00 C ATOM 0 H ILE A 628 14.221 -6.032 -3.258 1.00 0.00 H new ATOM 0 HA ILE A 628 13.380 -5.033 -0.740 1.00 0.00 H new ATOM 0 HB ILE A 628 16.072 -5.569 -1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 628 14.538 -7.118 0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 628 14.365 -7.467 -1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 628 16.953 -5.476 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 628 16.315 -3.900 -0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 628 15.362 -4.923 0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 628 15.978 -9.005 -0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 628 16.794 -7.980 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 628 16.970 -7.626 0.036 1.00 0.00 H new ATOM 801 N THR A 629 15.121 -2.877 -2.564 1.00 0.00 N ATOM 802 CA THR A 629 15.459 -1.475 -2.788 1.00 0.00 C ATOM 803 C THR A 629 14.187 -0.619 -2.874 1.00 0.00 C ATOM 804 O THR A 629 14.016 0.316 -2.094 1.00 0.00 O ATOM 805 CB THR A 629 16.339 -1.371 -4.051 1.00 0.00 C ATOM 806 OG1 THR A 629 17.463 -2.231 -3.953 1.00 0.00 O ATOM 807 CG2 THR A 629 16.863 0.052 -4.272 1.00 0.00 C ATOM 0 H THR A 629 15.620 -3.508 -3.192 1.00 0.00 H new ATOM 0 HA THR A 629 16.030 -1.083 -1.946 1.00 0.00 H new ATOM 0 HB THR A 629 15.704 -1.658 -4.889 1.00 0.00 H new ATOM 0 HG1 THR A 629 17.298 -3.046 -4.472 1.00 0.00 H new ATOM 0 HG21 THR A 629 17.477 0.078 -5.172 1.00 0.00 H new ATOM 0 HG22 THR A 629 16.022 0.736 -4.387 1.00 0.00 H new ATOM 0 HG23 THR A 629 17.463 0.356 -3.414 1.00 0.00 H new ATOM 815 N GLU A 630 13.270 -0.984 -3.774 1.00 0.00 N ATOM 816 CA GLU A 630 11.997 -0.323 -4.022 1.00 0.00 C ATOM 817 C GLU A 630 11.143 -0.283 -2.763 1.00 0.00 C ATOM 818 O GLU A 630 10.584 0.760 -2.443 1.00 0.00 O ATOM 819 CB GLU A 630 11.233 -1.072 -5.124 1.00 0.00 C ATOM 820 CG GLU A 630 11.813 -0.858 -6.526 1.00 0.00 C ATOM 821 CD GLU A 630 11.399 0.461 -7.187 1.00 0.00 C ATOM 822 OE1 GLU A 630 10.984 1.393 -6.465 1.00 0.00 O ATOM 823 OE2 GLU A 630 11.490 0.510 -8.435 1.00 0.00 O ATOM 0 H GLU A 630 13.409 -1.793 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 630 12.203 0.701 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 630 11.237 -2.138 -4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 630 10.192 -0.749 -5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 630 12.901 -0.894 -6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 630 11.501 -1.684 -7.165 1.00 0.00 H new ATOM 830 N MET A 631 11.043 -1.385 -2.015 1.00 0.00 N ATOM 831 CA MET A 631 10.245 -1.409 -0.797 1.00 0.00 C ATOM 832 C MET A 631 10.803 -0.419 0.232 1.00 0.00 C ATOM 833 O MET A 631 10.016 0.240 0.921 1.00 0.00 O ATOM 834 CB MET A 631 10.251 -2.821 -0.213 1.00 0.00 C ATOM 835 CG MET A 631 9.286 -3.789 -0.906 1.00 0.00 C ATOM 836 SD MET A 631 7.570 -3.628 -0.361 1.00 0.00 S ATOM 837 CE MET A 631 7.669 -4.513 1.206 1.00 0.00 C ATOM 0 H MET A 631 11.505 -2.267 -2.235 1.00 0.00 H new ATOM 0 HA MET A 631 9.223 -1.117 -1.039 1.00 0.00 H new ATOM 0 HB2 MET A 631 11.262 -3.225 -0.277 1.00 0.00 H new ATOM 0 HB3 MET A 631 9.996 -2.766 0.845 1.00 0.00 H new ATOM 0 HG2 MET A 631 9.332 -3.624 -1.982 1.00 0.00 H new ATOM 0 HG3 MET A 631 9.620 -4.811 -0.726 1.00 0.00 H new ATOM 0 HE1 MET A 631 6.671 -4.607 1.635 1.00 0.00 H new ATOM 0 HE2 MET A 631 8.086 -5.506 1.037 1.00 0.00 H new ATOM 0 HE3 MET A 631 8.310 -3.963 1.895 1.00 0.00 H new ATOM 847 N MET A 632 12.135 -0.275 0.334 1.00 0.00 N ATOM 848 CA MET A 632 12.712 0.671 1.295 1.00 0.00 C ATOM 849 C MET A 632 12.551 2.107 0.803 1.00 0.00 C ATOM 850 O MET A 632 12.543 3.030 1.613 1.00 0.00 O ATOM 851 CB MET A 632 14.203 0.409 1.580 1.00 0.00 C ATOM 852 CG MET A 632 14.675 -1.042 1.463 1.00 0.00 C ATOM 853 SD MET A 632 16.121 -1.443 2.474 1.00 0.00 S ATOM 854 CE MET A 632 17.386 -0.524 1.575 1.00 0.00 C ATOM 0 H MET A 632 12.816 -0.790 -0.224 1.00 0.00 H new ATOM 0 HA MET A 632 12.162 0.524 2.224 1.00 0.00 H new ATOM 0 HB2 MET A 632 14.793 1.016 0.894 1.00 0.00 H new ATOM 0 HB3 MET A 632 14.425 0.760 2.588 1.00 0.00 H new ATOM 0 HG2 MET A 632 13.855 -1.702 1.746 1.00 0.00 H new ATOM 0 HG3 MET A 632 14.907 -1.252 0.419 1.00 0.00 H new ATOM 0 HE1 MET A 632 18.351 -0.659 2.064 1.00 0.00 H new ATOM 0 HE2 MET A 632 17.444 -0.892 0.550 1.00 0.00 H new ATOM 0 HE3 MET A 632 17.129 0.535 1.566 1.00 0.00 H new ATOM 864 N ASP A 633 12.412 2.300 -0.507 1.00 0.00 N ATOM 865 CA ASP A 633 12.327 3.608 -1.129 1.00 0.00 C ATOM 866 C ASP A 633 10.896 4.114 -1.044 1.00 0.00 C ATOM 867 O ASP A 633 10.625 5.234 -0.613 1.00 0.00 O ATOM 868 CB ASP A 633 12.758 3.457 -2.590 1.00 0.00 C ATOM 869 CG ASP A 633 12.972 4.824 -3.236 1.00 0.00 C ATOM 870 OD1 ASP A 633 14.089 5.363 -3.074 1.00 0.00 O ATOM 871 OD2 ASP A 633 12.011 5.314 -3.868 1.00 0.00 O ATOM 0 H ASP A 633 12.355 1.531 -1.175 1.00 0.00 H new ATOM 0 HA ASP A 633 12.973 4.326 -0.624 1.00 0.00 H new ATOM 0 HB2 ASP A 633 13.679 2.876 -2.644 1.00 0.00 H new ATOM 0 HB3 ASP A 633 11.999 2.903 -3.143 1.00 0.00 H new ATOM 876 N ARG A 634 9.968 3.242 -1.434 1.00 0.00 N ATOM 877 CA ARG A 634 8.585 3.586 -1.692 1.00 0.00 C ATOM 878 C ARG A 634 7.717 3.355 -0.463 1.00 0.00 C ATOM 879 O ARG A 634 6.677 4.002 -0.346 1.00 0.00 O ATOM 880 CB ARG A 634 8.104 2.746 -2.880 1.00 0.00 C ATOM 881 CG ARG A 634 8.868 3.103 -4.175 1.00 0.00 C ATOM 882 CD ARG A 634 8.315 2.388 -5.413 1.00 0.00 C ATOM 883 NE ARG A 634 6.869 2.612 -5.610 1.00 0.00 N ATOM 884 CZ ARG A 634 6.073 1.833 -6.355 1.00 0.00 C ATOM 885 NH1 ARG A 634 6.592 0.897 -7.133 1.00 0.00 N ATOM 886 NH2 ARG A 634 4.749 1.979 -6.325 1.00 0.00 N ATOM 0 H ARG A 634 10.170 2.253 -1.581 1.00 0.00 H new ATOM 0 HA ARG A 634 8.505 4.647 -1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 634 8.240 1.688 -2.657 1.00 0.00 H new ATOM 0 HB3 ARG A 634 7.036 2.906 -3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 634 8.821 4.180 -4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 634 9.920 2.845 -4.053 1.00 0.00 H new ATOM 0 HD2 ARG A 634 8.854 2.732 -6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 634 8.502 1.318 -5.322 1.00 0.00 H new ATOM 0 HE ARG A 634 6.446 3.416 -5.146 1.00 0.00 H new ATOM 0 HH11 ARG A 634 7.603 0.766 -7.168 1.00 0.00 H new ATOM 0 HH12 ARG A 634 5.981 0.307 -7.698 1.00 0.00 H new ATOM 0 HH21 ARG A 634 4.328 2.692 -5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 634 4.157 1.378 -6.898 1.00 0.00 H new ATOM 900 N TYR A 635 8.129 2.464 0.451 1.00 0.00 N ATOM 901 CA TYR A 635 7.347 2.118 1.632 1.00 0.00 C ATOM 902 C TYR A 635 8.179 2.120 2.923 1.00 0.00 C ATOM 903 O TYR A 635 7.618 1.849 3.984 1.00 0.00 O ATOM 904 CB TYR A 635 6.658 0.766 1.399 1.00 0.00 C ATOM 905 CG TYR A 635 5.750 0.669 0.179 1.00 0.00 C ATOM 906 CD1 TYR A 635 4.711 1.599 -0.030 1.00 0.00 C ATOM 907 CD2 TYR A 635 5.928 -0.380 -0.743 1.00 0.00 C ATOM 908 CE1 TYR A 635 3.865 1.488 -1.150 1.00 0.00 C ATOM 909 CE2 TYR A 635 5.070 -0.517 -1.848 1.00 0.00 C ATOM 910 CZ TYR A 635 4.039 0.421 -2.063 1.00 0.00 C ATOM 911 OH TYR A 635 3.219 0.279 -3.141 1.00 0.00 O ATOM 0 H TYR A 635 9.017 1.966 0.386 1.00 0.00 H new ATOM 0 HA TYR A 635 6.591 2.889 1.778 1.00 0.00 H new ATOM 0 HB2 TYR A 635 7.429 0.000 1.313 1.00 0.00 H new ATOM 0 HB3 TYR A 635 6.068 0.526 2.284 1.00 0.00 H new ATOM 0 HD1 TYR A 635 4.563 2.403 0.675 1.00 0.00 H new ATOM 0 HD2 TYR A 635 6.732 -1.087 -0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 635 3.084 2.216 -1.312 1.00 0.00 H new ATOM 0 HE2 TYR A 635 5.200 -1.342 -2.533 1.00 0.00 H new ATOM 0 HH TYR A 635 3.490 -0.509 -3.656 1.00 0.00 H new ATOM 921 N ASN A 636 9.479 2.457 2.863 1.00 0.00 N ATOM 922 CA ASN A 636 10.399 2.513 4.008 1.00 0.00 C ATOM 923 C ASN A 636 10.350 1.229 4.856 1.00 0.00 C ATOM 924 O ASN A 636 10.374 1.265 6.087 1.00 0.00 O ATOM 925 CB ASN A 636 10.143 3.803 4.795 1.00 0.00 C ATOM 926 CG ASN A 636 11.250 4.137 5.794 1.00 0.00 C ATOM 927 OD1 ASN A 636 12.272 4.706 5.433 1.00 0.00 O ATOM 928 ND2 ASN A 636 11.060 3.826 7.068 1.00 0.00 N ATOM 0 H ASN A 636 9.932 2.706 1.984 1.00 0.00 H new ATOM 0 HA ASN A 636 11.428 2.551 3.652 1.00 0.00 H new ATOM 0 HB2 ASN A 636 10.035 4.631 4.095 1.00 0.00 H new ATOM 0 HB3 ASN A 636 9.197 3.712 5.330 1.00 0.00 H new ATOM 0 HD21 ASN A 636 11.770 4.061 7.762 1.00 0.00 H new ATOM 0 HD22 ASN A 636 10.204 3.352 7.355 1.00 0.00 H new ATOM 935 N VAL A 637 10.267 0.078 4.186 1.00 0.00 N ATOM 936 CA VAL A 637 10.390 -1.237 4.803 1.00 0.00 C ATOM 937 C VAL A 637 11.873 -1.590 4.687 1.00 0.00 C ATOM 938 O VAL A 637 12.381 -1.693 3.575 1.00 0.00 O ATOM 939 CB VAL A 637 9.488 -2.239 4.061 1.00 0.00 C ATOM 940 CG1 VAL A 637 9.517 -3.607 4.740 1.00 0.00 C ATOM 941 CG2 VAL A 637 8.023 -1.777 4.005 1.00 0.00 C ATOM 0 H VAL A 637 10.109 0.037 3.179 1.00 0.00 H new ATOM 0 HA VAL A 637 10.072 -1.258 5.845 1.00 0.00 H new ATOM 0 HB VAL A 637 9.884 -2.303 3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 637 8.872 -4.297 4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 637 10.537 -3.990 4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 637 9.163 -3.511 5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 637 7.428 -2.518 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 637 7.638 -1.664 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 637 7.963 -0.821 3.485 1.00 0.00 H new ATOM 951 N SER A 638 12.578 -1.718 5.812 1.00 0.00 N ATOM 952 CA SER A 638 13.999 -2.036 5.869 1.00 0.00 C ATOM 953 C SER A 638 14.253 -3.395 5.228 1.00 0.00 C ATOM 954 O SER A 638 13.377 -4.253 5.264 1.00 0.00 O ATOM 955 CB SER A 638 14.441 -2.068 7.338 1.00 0.00 C ATOM 956 OG SER A 638 13.951 -0.940 8.038 1.00 0.00 O ATOM 0 H SER A 638 12.160 -1.599 6.735 1.00 0.00 H new ATOM 0 HA SER A 638 14.566 -1.279 5.327 1.00 0.00 H new ATOM 0 HB2 SER A 638 14.078 -2.980 7.811 1.00 0.00 H new ATOM 0 HB3 SER A 638 15.529 -2.091 7.394 1.00 0.00 H new ATOM 0 HG SER A 638 14.244 -0.982 8.972 1.00 0.00 H new ATOM 962 N GLU A 639 15.468 -3.631 4.730 1.00 0.00 N ATOM 963 CA GLU A 639 15.851 -4.852 4.040 1.00 0.00 C ATOM 964 C GLU A 639 15.452 -6.097 4.836 1.00 0.00 C ATOM 965 O GLU A 639 14.830 -6.987 4.273 1.00 0.00 O ATOM 966 CB GLU A 639 17.352 -4.770 3.723 1.00 0.00 C ATOM 967 CG GLU A 639 17.911 -6.070 3.143 1.00 0.00 C ATOM 968 CD GLU A 639 19.267 -5.846 2.461 1.00 0.00 C ATOM 969 OE1 GLU A 639 20.210 -5.428 3.169 1.00 0.00 O ATOM 970 OE2 GLU A 639 19.335 -6.066 1.229 1.00 0.00 O ATOM 0 H GLU A 639 16.230 -2.956 4.800 1.00 0.00 H new ATOM 0 HA GLU A 639 15.310 -4.947 3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 639 17.525 -3.959 3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 639 17.897 -4.521 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 639 18.020 -6.807 3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 639 17.204 -6.481 2.423 1.00 0.00 H new ATOM 977 N GLU A 640 15.668 -6.097 6.155 1.00 0.00 N ATOM 978 CA GLU A 640 15.272 -7.191 7.054 1.00 0.00 C ATOM 979 C GLU A 640 13.749 -7.392 7.022 1.00 0.00 C ATOM 980 O GLU A 640 13.228 -8.504 6.909 1.00 0.00 O ATOM 981 CB GLU A 640 15.785 -6.860 8.453 1.00 0.00 C ATOM 982 CG GLU A 640 15.276 -7.868 9.497 1.00 0.00 C ATOM 983 CD GLU A 640 14.032 -7.413 10.288 1.00 0.00 C ATOM 984 OE1 GLU A 640 13.754 -6.195 10.348 1.00 0.00 O ATOM 985 OE2 GLU A 640 13.308 -8.283 10.827 1.00 0.00 O ATOM 0 H GLU A 640 16.130 -5.326 6.638 1.00 0.00 H new ATOM 0 HA GLU A 640 15.711 -8.135 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 640 16.875 -6.858 8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 640 15.465 -5.856 8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 640 15.044 -8.806 8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 640 16.081 -8.076 10.202 1.00 0.00 H new ATOM 992 N LYS A 641 13.033 -6.274 7.105 1.00 0.00 N ATOM 993 CA LYS A 641 11.587 -6.192 7.123 1.00 0.00 C ATOM 994 C LYS A 641 10.978 -6.477 5.747 1.00 0.00 C ATOM 995 O LYS A 641 9.772 -6.692 5.682 1.00 0.00 O ATOM 996 CB LYS A 641 11.213 -4.805 7.698 1.00 0.00 C ATOM 997 CG LYS A 641 9.843 -4.707 8.390 1.00 0.00 C ATOM 998 CD LYS A 641 9.571 -5.813 9.416 1.00 0.00 C ATOM 999 CE LYS A 641 10.790 -6.124 10.303 1.00 0.00 C ATOM 1000 NZ LYS A 641 10.759 -7.469 10.912 1.00 0.00 N ATOM 0 H LYS A 641 13.475 -5.357 7.164 1.00 0.00 H new ATOM 0 HA LYS A 641 11.162 -6.966 7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 641 11.981 -4.512 8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 641 11.240 -4.078 6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 641 9.770 -3.740 8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 641 9.063 -4.734 7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 641 8.735 -5.516 10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 641 9.269 -6.720 8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 641 11.696 -6.027 9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 641 10.850 -5.378 11.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 641 10.634 -7.381 11.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 641 9.968 -8.013 10.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 641 11.653 -7.961 10.712 1.00 0.00 H new ATOM 1014 N VAL A 642 11.778 -6.517 4.670 1.00 0.00 N ATOM 1015 CA VAL A 642 11.385 -7.068 3.374 1.00 0.00 C ATOM 1016 C VAL A 642 11.787 -8.540 3.279 1.00 0.00 C ATOM 1017 O VAL A 642 10.964 -9.333 2.832 1.00 0.00 O ATOM 1018 CB VAL A 642 11.989 -6.265 2.196 1.00 0.00 C ATOM 1019 CG1 VAL A 642 11.345 -6.709 0.878 1.00 0.00 C ATOM 1020 CG2 VAL A 642 11.759 -4.754 2.280 1.00 0.00 C ATOM 0 H VAL A 642 12.733 -6.159 4.681 1.00 0.00 H new ATOM 0 HA VAL A 642 10.300 -6.989 3.299 1.00 0.00 H new ATOM 0 HB VAL A 642 13.059 -6.464 2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 642 11.774 -6.140 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.531 -7.772 0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.270 -6.532 0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 642 12.214 -4.268 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 642 10.689 -4.549 2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 642 12.211 -4.367 3.194 1.00 0.00 H new ATOM 1030 N GLU A 643 12.993 -8.933 3.709 1.00 0.00 N ATOM 1031 CA GLU A 643 13.470 -10.315 3.668 1.00 0.00 C ATOM 1032 C GLU A 643 12.461 -11.255 4.324 1.00 0.00 C ATOM 1033 O GLU A 643 12.229 -12.358 3.823 1.00 0.00 O ATOM 1034 CB GLU A 643 14.826 -10.460 4.376 1.00 0.00 C ATOM 1035 CG GLU A 643 16.031 -10.023 3.535 1.00 0.00 C ATOM 1036 CD GLU A 643 17.321 -10.236 4.333 1.00 0.00 C ATOM 1037 OE1 GLU A 643 17.524 -9.488 5.316 1.00 0.00 O ATOM 1038 OE2 GLU A 643 18.062 -11.181 3.979 1.00 0.00 O ATOM 0 H GLU A 643 13.675 -8.284 4.102 1.00 0.00 H new ATOM 0 HA GLU A 643 13.589 -10.584 2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 643 14.807 -9.873 5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 643 14.960 -11.502 4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 643 16.067 -10.595 2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 643 15.932 -8.973 3.258 1.00 0.00 H new ATOM 1045 N GLU A 644 11.815 -10.803 5.407 1.00 0.00 N ATOM 1046 CA GLU A 644 10.764 -11.581 6.041 1.00 0.00 C ATOM 1047 C GLU A 644 9.638 -11.878 5.048 1.00 0.00 C ATOM 1048 O GLU A 644 9.219 -13.023 4.916 1.00 0.00 O ATOM 1049 CB GLU A 644 10.279 -10.934 7.354 1.00 0.00 C ATOM 1050 CG GLU A 644 9.125 -9.935 7.171 1.00 0.00 C ATOM 1051 CD GLU A 644 8.599 -9.266 8.452 1.00 0.00 C ATOM 1052 OE1 GLU A 644 9.364 -9.189 9.442 1.00 0.00 O ATOM 1053 OE2 GLU A 644 7.447 -8.767 8.431 1.00 0.00 O ATOM 0 H GLU A 644 12.007 -9.906 5.854 1.00 0.00 H new ATOM 0 HA GLU A 644 11.178 -12.545 6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 644 9.960 -11.720 8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 644 11.118 -10.422 7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 644 9.453 -9.153 6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 644 8.296 -10.453 6.689 1.00 0.00 H new ATOM 1060 N LEU A 645 9.179 -10.860 4.319 1.00 0.00 N ATOM 1061 CA LEU A 645 8.060 -10.928 3.390 1.00 0.00 C ATOM 1062 C LEU A 645 8.424 -11.909 2.293 1.00 0.00 C ATOM 1063 O LEU A 645 7.635 -12.787 1.945 1.00 0.00 O ATOM 1064 CB LEU A 645 7.708 -9.538 2.831 1.00 0.00 C ATOM 1065 CG LEU A 645 7.581 -8.471 3.931 1.00 0.00 C ATOM 1066 CD1 LEU A 645 7.401 -7.091 3.307 1.00 0.00 C ATOM 1067 CD2 LEU A 645 6.442 -8.772 4.909 1.00 0.00 C ATOM 0 H LEU A 645 9.596 -9.930 4.364 1.00 0.00 H new ATOM 0 HA LEU A 645 7.165 -11.276 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 645 8.476 -9.232 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 645 6.770 -9.599 2.280 1.00 0.00 H new ATOM 0 HG LEU A 645 8.506 -8.488 4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 645 7.312 -6.344 4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 645 8.264 -6.859 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 645 6.498 -7.083 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 645 6.395 -7.989 5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 645 5.497 -8.809 4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 645 6.621 -9.733 5.392 1.00 0.00 H new ATOM 1079 N ILE A 646 9.664 -11.789 1.816 1.00 0.00 N ATOM 1080 CA ILE A 646 10.211 -12.649 0.791 1.00 0.00 C ATOM 1081 C ILE A 646 10.164 -14.088 1.293 1.00 0.00 C ATOM 1082 O ILE A 646 9.718 -14.949 0.538 1.00 0.00 O ATOM 1083 CB ILE A 646 11.627 -12.170 0.382 1.00 0.00 C ATOM 1084 CG1 ILE A 646 11.536 -10.728 -0.165 1.00 0.00 C ATOM 1085 CG2 ILE A 646 12.234 -13.126 -0.663 1.00 0.00 C ATOM 1086 CD1 ILE A 646 12.872 -10.052 -0.492 1.00 0.00 C ATOM 0 H ILE A 646 10.318 -11.078 2.142 1.00 0.00 H new ATOM 0 HA ILE A 646 9.617 -12.602 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 646 12.283 -12.174 1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 646 10.926 -10.740 -1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 646 11.010 -10.115 0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 646 13.229 -12.777 -0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 646 12.306 -14.128 -0.241 1.00 0.00 H new ATOM 0 HG23 ILE A 646 11.597 -13.150 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 646 12.688 -9.045 -0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 646 13.482 -9.997 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 646 13.397 -10.632 -1.251 1.00 0.00 H new ATOM 1098 N ARG A 647 10.551 -14.382 2.547 1.00 0.00 N ATOM 1099 CA ARG A 647 10.506 -15.788 2.960 1.00 0.00 C ATOM 1100 C ARG A 647 9.076 -16.231 3.225 1.00 0.00 C ATOM 1101 O ARG A 647 8.713 -17.307 2.771 1.00 0.00 O ATOM 1102 CB ARG A 647 11.464 -16.130 4.112 1.00 0.00 C ATOM 1103 CG ARG A 647 11.225 -15.414 5.448 1.00 0.00 C ATOM 1104 CD ARG A 647 12.081 -16.000 6.576 1.00 0.00 C ATOM 1105 NE ARG A 647 11.653 -17.367 6.931 1.00 0.00 N ATOM 1106 CZ ARG A 647 12.218 -18.166 7.846 1.00 0.00 C ATOM 1107 NH1 ARG A 647 13.266 -17.744 8.557 1.00 0.00 N ATOM 1108 NH2 ARG A 647 11.731 -19.392 8.045 1.00 0.00 N ATOM 0 H ARG A 647 10.876 -13.715 3.247 1.00 0.00 H new ATOM 0 HA ARG A 647 10.881 -16.371 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 647 11.413 -17.204 4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 647 12.480 -15.909 3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 647 11.450 -14.353 5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 647 10.171 -15.490 5.716 1.00 0.00 H new ATOM 0 HD2 ARG A 647 13.127 -16.014 6.270 1.00 0.00 H new ATOM 0 HD3 ARG A 647 12.015 -15.358 7.454 1.00 0.00 H new ATOM 0 HE ARG A 647 10.847 -17.741 6.430 1.00 0.00 H new ATOM 0 HH11 ARG A 647 13.642 -16.808 8.405 1.00 0.00 H new ATOM 0 HH12 ARG A 647 13.691 -18.358 9.252 1.00 0.00 H new ATOM 0 HH21 ARG A 647 10.932 -19.718 7.502 1.00 0.00 H new ATOM 0 HH22 ARG A 647 12.158 -20.004 8.741 1.00 0.00 H new ATOM 1122 N ILE A 648 8.256 -15.425 3.903 1.00 0.00 N ATOM 1123 CA ILE A 648 6.891 -15.778 4.282 1.00 0.00 C ATOM 1124 C ILE A 648 6.110 -16.144 3.025 1.00 0.00 C ATOM 1125 O ILE A 648 5.587 -17.254 2.930 1.00 0.00 O ATOM 1126 CB ILE A 648 6.250 -14.618 5.073 1.00 0.00 C ATOM 1127 CG1 ILE A 648 6.962 -14.461 6.441 1.00 0.00 C ATOM 1128 CG2 ILE A 648 4.748 -14.818 5.325 1.00 0.00 C ATOM 1129 CD1 ILE A 648 6.789 -13.079 7.066 1.00 0.00 C ATOM 0 H ILE A 648 8.530 -14.491 4.209 1.00 0.00 H new ATOM 0 HA ILE A 648 6.883 -16.646 4.941 1.00 0.00 H new ATOM 0 HB ILE A 648 6.368 -13.724 4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 648 6.577 -15.213 7.130 1.00 0.00 H new ATOM 0 HG13 ILE A 648 8.026 -14.662 6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 648 4.357 -13.969 5.885 1.00 0.00 H new ATOM 0 HG22 ILE A 648 4.226 -14.895 4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 648 4.594 -15.733 5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 648 7.314 -13.043 8.021 1.00 0.00 H new ATOM 0 HD12 ILE A 648 7.200 -12.323 6.397 1.00 0.00 H new ATOM 0 HD13 ILE A 648 5.729 -12.883 7.227 1.00 0.00 H new ATOM 1141 N LEU A 649 6.040 -15.248 2.036 1.00 0.00 N ATOM 1142 CA LEU A 649 5.259 -15.542 0.850 1.00 0.00 C ATOM 1143 C LEU A 649 5.831 -16.738 0.062 1.00 0.00 C ATOM 1144 O LEU A 649 5.076 -17.432 -0.620 1.00 0.00 O ATOM 1145 CB LEU A 649 5.119 -14.286 -0.025 1.00 0.00 C ATOM 1146 CG LEU A 649 4.095 -13.266 0.494 1.00 0.00 C ATOM 1147 CD1 LEU A 649 4.719 -12.247 1.445 1.00 0.00 C ATOM 1148 CD2 LEU A 649 3.452 -12.511 -0.679 1.00 0.00 C ATOM 0 H LEU A 649 6.504 -14.340 2.038 1.00 0.00 H new ATOM 0 HA LEU A 649 4.261 -15.840 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 649 6.092 -13.800 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 649 4.834 -14.589 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 649 3.343 -13.833 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 649 3.953 -11.549 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 649 5.144 -12.765 2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 649 5.506 -11.699 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 649 2.728 -11.792 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 649 4.224 -11.985 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 649 2.946 -13.220 -1.335 1.00 0.00 H new ATOM 1160 N LYS A 650 7.143 -17.001 0.163 1.00 0.00 N ATOM 1161 CA LYS A 650 7.791 -18.153 -0.491 1.00 0.00 C ATOM 1162 C LYS A 650 7.390 -19.447 0.202 1.00 0.00 C ATOM 1163 O LYS A 650 7.114 -20.458 -0.433 1.00 0.00 O ATOM 1164 CB LYS A 650 9.333 -18.041 -0.516 1.00 0.00 C ATOM 1165 CG LYS A 650 9.843 -17.137 -1.646 1.00 0.00 C ATOM 1166 CD LYS A 650 11.340 -16.802 -1.637 1.00 0.00 C ATOM 1167 CE LYS A 650 12.283 -17.989 -1.828 1.00 0.00 C ATOM 1168 NZ LYS A 650 12.603 -18.674 -0.558 1.00 0.00 N ATOM 0 H LYS A 650 7.787 -16.421 0.701 1.00 0.00 H new ATOM 0 HA LYS A 650 7.446 -18.157 -1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 650 9.680 -17.651 0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 650 9.764 -19.036 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 650 9.607 -17.615 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 650 9.285 -16.202 -1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 650 11.536 -16.075 -2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 650 11.580 -16.319 -0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 650 11.828 -18.702 -2.516 1.00 0.00 H new ATOM 0 HE3 LYS A 650 13.207 -17.643 -2.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 13.526 -19.146 -0.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 12.639 -17.977 0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 11.870 -19.382 -0.351 1.00 0.00 H new ATOM 1182 N ASP A 651 7.350 -19.373 1.522 1.00 0.00 N ATOM 1183 CA ASP A 651 7.063 -20.452 2.470 1.00 0.00 C ATOM 1184 C ASP A 651 5.618 -20.906 2.305 1.00 0.00 C ATOM 1185 O ASP A 651 5.319 -22.097 2.276 1.00 0.00 O ATOM 1186 CB ASP A 651 7.320 -19.932 3.891 1.00 0.00 C ATOM 1187 CG ASP A 651 7.214 -21.012 4.962 1.00 0.00 C ATOM 1188 OD1 ASP A 651 8.263 -21.636 5.240 1.00 0.00 O ATOM 1189 OD2 ASP A 651 6.110 -21.139 5.535 1.00 0.00 O ATOM 0 H ASP A 651 7.530 -18.491 2.002 1.00 0.00 H new ATOM 0 HA ASP A 651 7.709 -21.310 2.282 1.00 0.00 H new ATOM 0 HB2 ASP A 651 8.314 -19.487 3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 651 6.606 -19.139 4.114 1.00 0.00 H new ATOM 1194 N LYS A 652 4.734 -19.929 2.084 1.00 0.00 N ATOM 1195 CA LYS A 652 3.336 -20.140 1.729 1.00 0.00 C ATOM 1196 C LYS A 652 3.161 -20.693 0.314 1.00 0.00 C ATOM 1197 O LYS A 652 2.044 -21.058 -0.044 1.00 0.00 O ATOM 1198 CB LYS A 652 2.612 -18.795 1.856 1.00 0.00 C ATOM 1199 CG LYS A 652 2.376 -18.433 3.329 1.00 0.00 C ATOM 1200 CD LYS A 652 2.570 -16.937 3.604 1.00 0.00 C ATOM 1201 CE LYS A 652 1.468 -16.328 4.479 1.00 0.00 C ATOM 1202 NZ LYS A 652 1.429 -16.949 5.822 1.00 0.00 N ATOM 0 H LYS A 652 4.983 -18.942 2.150 1.00 0.00 H new ATOM 0 HA LYS A 652 2.916 -20.885 2.405 1.00 0.00 H new ATOM 0 HB2 LYS A 652 3.202 -18.014 1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 652 1.657 -18.841 1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 652 1.365 -18.723 3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 652 3.060 -19.006 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 652 3.534 -16.787 4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 652 2.606 -16.403 2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 652 1.634 -15.255 4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 652 0.502 -16.457 3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 0.683 -16.500 6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 1.229 -17.965 5.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 2.348 -16.819 6.292 1.00 0.00 H new ATOM 1216 N GLY A 653 4.218 -20.705 -0.506 1.00 0.00 N ATOM 1217 CA GLY A 653 4.124 -21.015 -1.923 1.00 0.00 C ATOM 1218 C GLY A 653 3.285 -19.985 -2.680 1.00 0.00 C ATOM 1219 O GLY A 653 2.795 -20.304 -3.756 1.00 0.00 O ATOM 0 H GLY A 653 5.167 -20.497 -0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 653 5.125 -21.054 -2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 653 3.684 -22.004 -2.049 1.00 0.00 H new ATOM 1223 N ALA A 654 3.088 -18.776 -2.130 1.00 0.00 N ATOM 1224 CA ALA A 654 2.405 -17.685 -2.814 1.00 0.00 C ATOM 1225 C ALA A 654 3.333 -17.038 -3.841 1.00 0.00 C ATOM 1226 O ALA A 654 2.882 -16.547 -4.877 1.00 0.00 O ATOM 1227 CB ALA A 654 1.955 -16.649 -1.779 1.00 0.00 C ATOM 0 H ALA A 654 3.404 -18.534 -1.191 1.00 0.00 H new ATOM 0 HA ALA A 654 1.534 -18.076 -3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.443 -15.829 -2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 654 1.276 -17.118 -1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 654 2.826 -16.262 -1.249 1.00 0.00 H new ATOM 1233 N ILE A 655 4.638 -17.051 -3.561 1.00 0.00 N ATOM 1234 CA ILE A 655 5.662 -16.631 -4.500 1.00 0.00 C ATOM 1235 C ILE A 655 6.738 -17.700 -4.527 1.00 0.00 C ATOM 1236 O ILE A 655 6.717 -18.665 -3.760 1.00 0.00 O ATOM 1237 CB ILE A 655 6.215 -15.230 -4.160 1.00 0.00 C ATOM 1238 CG1 ILE A 655 6.983 -15.215 -2.834 1.00 0.00 C ATOM 1239 CG2 ILE A 655 5.055 -14.236 -4.158 1.00 0.00 C ATOM 1240 CD1 ILE A 655 7.635 -13.871 -2.483 1.00 0.00 C ATOM 0 H ILE A 655 5.010 -17.359 -2.663 1.00 0.00 H new ATOM 0 HA ILE A 655 5.237 -16.529 -5.498 1.00 0.00 H new ATOM 0 HB ILE A 655 6.940 -14.940 -4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 655 6.299 -15.492 -2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 655 7.758 -15.980 -2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 655 5.429 -13.241 -3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 655 4.587 -14.221 -5.142 1.00 0.00 H new ATOM 0 HG23 ILE A 655 4.320 -14.536 -3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 655 8.155 -13.957 -1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 655 8.347 -13.598 -3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 655 6.866 -13.102 -2.409 1.00 0.00 H new ATOM 1252 N PHE A 656 7.691 -17.500 -5.420 1.00 0.00 N ATOM 1253 CA PHE A 656 8.767 -18.405 -5.688 1.00 0.00 C ATOM 1254 C PHE A 656 9.970 -17.589 -6.143 1.00 0.00 C ATOM 1255 O PHE A 656 9.817 -16.436 -6.544 1.00 0.00 O ATOM 1256 CB PHE A 656 8.281 -19.370 -6.768 1.00 0.00 C ATOM 1257 CG PHE A 656 9.158 -20.583 -6.828 1.00 0.00 C ATOM 1258 CD1 PHE A 656 9.049 -21.549 -5.813 1.00 0.00 C ATOM 1259 CD2 PHE A 656 10.139 -20.686 -7.825 1.00 0.00 C ATOM 1260 CE1 PHE A 656 9.926 -22.648 -5.812 1.00 0.00 C ATOM 1261 CE2 PHE A 656 11.021 -21.780 -7.818 1.00 0.00 C ATOM 1262 CZ PHE A 656 10.910 -22.762 -6.815 1.00 0.00 C ATOM 0 H PHE A 656 7.727 -16.661 -5.998 1.00 0.00 H new ATOM 0 HA PHE A 656 9.067 -18.979 -4.812 1.00 0.00 H new ATOM 0 HB2 PHE A 656 7.253 -19.668 -6.561 1.00 0.00 H new ATOM 0 HB3 PHE A 656 8.278 -18.869 -7.736 1.00 0.00 H new ATOM 0 HD1 PHE A 656 8.300 -21.448 -5.042 1.00 0.00 H new ATOM 0 HD2 PHE A 656 10.216 -19.930 -8.593 1.00 0.00 H new ATOM 0 HE1 PHE A 656 9.846 -23.403 -5.044 1.00 0.00 H new ATOM 0 HE2 PHE A 656 11.782 -21.867 -8.580 1.00 0.00 H new ATOM 0 HZ PHE A 656 11.582 -23.607 -6.814 1.00 0.00 H new ATOM 1272 N GLU A 657 11.157 -18.194 -6.112 1.00 0.00 N ATOM 1273 CA GLU A 657 12.411 -17.552 -6.474 1.00 0.00 C ATOM 1274 C GLU A 657 13.003 -18.344 -7.650 1.00 0.00 C ATOM 1275 O GLU A 657 13.805 -19.251 -7.427 1.00 0.00 O ATOM 1276 CB GLU A 657 13.302 -17.466 -5.224 1.00 0.00 C ATOM 1277 CG GLU A 657 14.508 -16.514 -5.343 1.00 0.00 C ATOM 1278 CD GLU A 657 14.333 -15.175 -4.604 1.00 0.00 C ATOM 1279 OE1 GLU A 657 13.897 -15.219 -3.430 1.00 0.00 O ATOM 1280 OE2 GLU A 657 14.663 -14.117 -5.199 1.00 0.00 O ATOM 0 H GLU A 657 11.271 -19.167 -5.827 1.00 0.00 H new ATOM 0 HA GLU A 657 12.294 -16.523 -6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 657 12.689 -17.146 -4.381 1.00 0.00 H new ATOM 0 HB3 GLU A 657 13.670 -18.465 -4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 657 15.393 -17.017 -4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 657 14.694 -16.312 -6.398 1.00 0.00 H new ATOM 1287 N PRO A 658 12.567 -18.086 -8.902 1.00 0.00 N ATOM 1288 CA PRO A 658 12.964 -18.868 -10.073 1.00 0.00 C ATOM 1289 C PRO A 658 14.465 -18.859 -10.370 1.00 0.00 C ATOM 1290 O PRO A 658 14.945 -19.742 -11.078 1.00 0.00 O ATOM 1291 CB PRO A 658 12.183 -18.281 -11.251 1.00 0.00 C ATOM 1292 CG PRO A 658 11.745 -16.902 -10.777 1.00 0.00 C ATOM 1293 CD PRO A 658 11.524 -17.150 -9.292 1.00 0.00 C ATOM 0 HA PRO A 658 12.738 -19.918 -9.887 1.00 0.00 H new ATOM 0 HB2 PRO A 658 12.805 -18.214 -12.144 1.00 0.00 H new ATOM 0 HB3 PRO A 658 11.325 -18.903 -11.506 1.00 0.00 H new ATOM 0 HG2 PRO A 658 12.508 -16.144 -10.958 1.00 0.00 H new ATOM 0 HG3 PRO A 658 10.837 -16.565 -11.277 1.00 0.00 H new ATOM 0 HD2 PRO A 658 11.594 -16.223 -8.723 1.00 0.00 H new ATOM 0 HD3 PRO A 658 10.533 -17.564 -9.105 1.00 0.00 H new ATOM 1301 N ALA A 659 15.202 -17.869 -9.859 1.00 0.00 N ATOM 1302 CA ALA A 659 16.654 -17.800 -9.979 1.00 0.00 C ATOM 1303 C ALA A 659 17.269 -17.049 -8.797 1.00 0.00 C ATOM 1304 O ALA A 659 16.560 -16.422 -8.018 1.00 0.00 O ATOM 1305 CB ALA A 659 17.029 -17.126 -11.303 1.00 0.00 C ATOM 0 H ALA A 659 14.799 -17.086 -9.345 1.00 0.00 H new ATOM 0 HA ALA A 659 17.054 -18.814 -9.969 1.00 0.00 H new ATOM 0 HB1 ALA A 659 18.114 -17.075 -11.391 1.00 0.00 H new ATOM 0 HB2 ALA A 659 16.624 -17.705 -12.133 1.00 0.00 H new ATOM 0 HB3 ALA A 659 16.616 -16.118 -11.328 1.00 0.00 H new ATOM 1311 N ARG A 660 18.606 -17.069 -8.723 1.00 0.00 N ATOM 1312 CA ARG A 660 19.498 -16.632 -7.637 1.00 0.00 C ATOM 1313 C ARG A 660 19.339 -15.195 -7.096 1.00 0.00 C ATOM 1314 O ARG A 660 20.151 -14.773 -6.277 1.00 0.00 O ATOM 1315 CB ARG A 660 20.950 -16.885 -8.090 1.00 0.00 C ATOM 1316 CG ARG A 660 21.420 -15.929 -9.202 1.00 0.00 C ATOM 1317 CD ARG A 660 22.844 -16.265 -9.659 1.00 0.00 C ATOM 1318 NE ARG A 660 23.313 -15.308 -10.677 1.00 0.00 N ATOM 1319 CZ ARG A 660 24.389 -15.446 -11.466 1.00 0.00 C ATOM 1320 NH1 ARG A 660 25.164 -16.529 -11.377 1.00 0.00 N ATOM 1321 NH2 ARG A 660 24.688 -14.493 -12.349 1.00 0.00 N ATOM 0 H ARG A 660 19.149 -17.431 -9.507 1.00 0.00 H new ATOM 0 HA ARG A 660 19.203 -17.228 -6.773 1.00 0.00 H new ATOM 0 HB2 ARG A 660 21.613 -16.785 -7.231 1.00 0.00 H new ATOM 0 HB3 ARG A 660 21.039 -17.912 -8.443 1.00 0.00 H new ATOM 0 HG2 ARG A 660 20.739 -15.992 -10.051 1.00 0.00 H new ATOM 0 HG3 ARG A 660 21.385 -14.901 -8.840 1.00 0.00 H new ATOM 0 HD2 ARG A 660 23.518 -16.249 -8.802 1.00 0.00 H new ATOM 0 HD3 ARG A 660 22.870 -17.276 -10.066 1.00 0.00 H new ATOM 0 HE ARG A 660 22.765 -14.456 -10.793 1.00 0.00 H new ATOM 0 HH11 ARG A 660 24.940 -17.262 -10.704 1.00 0.00 H new ATOM 0 HH12 ARG A 660 25.980 -16.623 -11.982 1.00 0.00 H new ATOM 0 HH21 ARG A 660 24.100 -13.663 -12.423 1.00 0.00 H new ATOM 0 HH22 ARG A 660 25.505 -14.594 -12.951 1.00 0.00 H new ATOM 1335 N GLY A 661 18.347 -14.438 -7.554 1.00 0.00 N ATOM 1336 CA GLY A 661 17.998 -13.112 -7.069 1.00 0.00 C ATOM 1337 C GLY A 661 16.785 -12.580 -7.824 1.00 0.00 C ATOM 1338 O GLY A 661 16.755 -11.406 -8.194 1.00 0.00 O ATOM 0 H GLY A 661 17.737 -14.750 -8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 661 17.783 -13.152 -6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 661 18.842 -12.435 -7.199 1.00 0.00 H new ATOM 1342 N TYR A 662 15.815 -13.456 -8.104 1.00 0.00 N ATOM 1343 CA TYR A 662 14.665 -13.173 -8.942 1.00 0.00 C ATOM 1344 C TYR A 662 13.458 -13.872 -8.330 1.00 0.00 C ATOM 1345 O TYR A 662 13.498 -15.090 -8.183 1.00 0.00 O ATOM 1346 CB TYR A 662 14.922 -13.719 -10.351 1.00 0.00 C ATOM 1347 CG TYR A 662 15.649 -12.791 -11.311 1.00 0.00 C ATOM 1348 CD1 TYR A 662 15.016 -11.602 -11.705 1.00 0.00 C ATOM 1349 CD2 TYR A 662 16.875 -13.147 -11.908 1.00 0.00 C ATOM 1350 CE1 TYR A 662 15.572 -10.771 -12.687 1.00 0.00 C ATOM 1351 CE2 TYR A 662 17.439 -12.330 -12.907 1.00 0.00 C ATOM 1352 CZ TYR A 662 16.790 -11.136 -13.295 1.00 0.00 C ATOM 1353 OH TYR A 662 17.281 -10.391 -14.324 1.00 0.00 O ATOM 0 H TYR A 662 15.816 -14.408 -7.738 1.00 0.00 H new ATOM 0 HA TYR A 662 14.487 -12.100 -9.006 1.00 0.00 H new ATOM 0 HB2 TYR A 662 15.500 -14.639 -10.261 1.00 0.00 H new ATOM 0 HB3 TYR A 662 13.963 -13.987 -10.794 1.00 0.00 H new ATOM 0 HD1 TYR A 662 14.081 -11.322 -11.242 1.00 0.00 H new ATOM 0 HD2 TYR A 662 17.383 -14.048 -11.599 1.00 0.00 H new ATOM 0 HE1 TYR A 662 15.071 -9.859 -12.975 1.00 0.00 H new ATOM 0 HE2 TYR A 662 18.368 -12.616 -13.377 1.00 0.00 H new ATOM 0 HH TYR A 662 16.661 -9.658 -14.522 1.00 0.00 H new ATOM 1363 N LEU A 663 12.402 -13.117 -8.021 1.00 0.00 N ATOM 1364 CA LEU A 663 11.119 -13.569 -7.505 1.00 0.00 C ATOM 1365 C LEU A 663 10.081 -13.703 -8.628 1.00 0.00 C ATOM 1366 O LEU A 663 10.215 -13.138 -9.717 1.00 0.00 O ATOM 1367 CB LEU A 663 10.598 -12.570 -6.448 1.00 0.00 C ATOM 1368 CG LEU A 663 11.079 -12.820 -5.006 1.00 0.00 C ATOM 1369 CD1 LEU A 663 10.491 -11.732 -4.096 1.00 0.00 C ATOM 1370 CD2 LEU A 663 10.657 -14.203 -4.498 1.00 0.00 C ATOM 0 H LEU A 663 12.428 -12.104 -8.135 1.00 0.00 H new ATOM 0 HA LEU A 663 11.267 -14.549 -7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 663 10.899 -11.565 -6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 663 9.508 -12.592 -6.458 1.00 0.00 H new ATOM 0 HG LEU A 663 12.168 -12.785 -4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 663 10.823 -11.896 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 663 10.829 -10.753 -4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 663 9.403 -11.774 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 663 11.015 -14.341 -3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 663 9.570 -14.281 -4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 663 11.085 -14.973 -5.140 1.00 0.00 H new ATOM 1382 N LYS A 664 9.008 -14.436 -8.319 1.00 0.00 N ATOM 1383 CA LYS A 664 7.835 -14.649 -9.154 1.00 0.00 C ATOM 1384 C LYS A 664 6.642 -15.001 -8.283 1.00 0.00 C ATOM 1385 O LYS A 664 6.806 -15.709 -7.294 1.00 0.00 O ATOM 1386 CB LYS A 664 8.165 -15.783 -10.135 1.00 0.00 C ATOM 1387 CG LYS A 664 6.931 -16.361 -10.827 1.00 0.00 C ATOM 1388 CD LYS A 664 7.329 -17.250 -12.015 1.00 0.00 C ATOM 1389 CE LYS A 664 6.306 -17.111 -13.150 1.00 0.00 C ATOM 1390 NZ LYS A 664 6.376 -15.781 -13.800 1.00 0.00 N ATOM 0 H LYS A 664 8.936 -14.923 -7.426 1.00 0.00 H new ATOM 0 HA LYS A 664 7.578 -13.748 -9.710 1.00 0.00 H new ATOM 0 HB2 LYS A 664 8.856 -15.410 -10.891 1.00 0.00 H new ATOM 0 HB3 LYS A 664 8.679 -16.580 -9.598 1.00 0.00 H new ATOM 0 HG2 LYS A 664 6.349 -16.943 -10.113 1.00 0.00 H new ATOM 0 HG3 LYS A 664 6.291 -15.550 -11.174 1.00 0.00 H new ATOM 0 HD2 LYS A 664 8.320 -16.969 -12.373 1.00 0.00 H new ATOM 0 HD3 LYS A 664 7.389 -18.290 -11.696 1.00 0.00 H new ATOM 0 HE2 LYS A 664 6.482 -17.888 -13.894 1.00 0.00 H new ATOM 0 HE3 LYS A 664 5.302 -17.269 -12.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 664 5.822 -15.795 -14.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 664 5.989 -15.060 -13.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 664 7.367 -15.553 -14.019 1.00 0.00 H new ATOM 1404 N ILE A 665 5.450 -14.551 -8.672 1.00 0.00 N ATOM 1405 CA ILE A 665 4.188 -14.977 -8.095 1.00 0.00 C ATOM 1406 C ILE A 665 3.849 -16.361 -8.657 1.00 0.00 C ATOM 1407 O ILE A 665 3.951 -16.572 -9.867 1.00 0.00 O ATOM 1408 CB ILE A 665 3.066 -13.945 -8.373 1.00 0.00 C ATOM 1409 CG1 ILE A 665 3.502 -12.526 -7.941 1.00 0.00 C ATOM 1410 CG2 ILE A 665 1.774 -14.355 -7.639 1.00 0.00 C ATOM 1411 CD1 ILE A 665 2.529 -11.400 -8.302 1.00 0.00 C ATOM 0 H ILE A 665 5.339 -13.863 -9.416 1.00 0.00 H new ATOM 0 HA ILE A 665 4.275 -15.041 -7.010 1.00 0.00 H new ATOM 0 HB ILE A 665 2.873 -13.929 -9.446 1.00 0.00 H new ATOM 0 HG12 ILE A 665 3.650 -12.523 -6.861 1.00 0.00 H new ATOM 0 HG13 ILE A 665 4.468 -12.307 -8.395 1.00 0.00 H new ATOM 0 HG21 ILE A 665 0.992 -13.623 -7.841 1.00 0.00 H new ATOM 0 HG22 ILE A 665 1.452 -15.336 -7.989 1.00 0.00 H new ATOM 0 HG23 ILE A 665 1.963 -14.397 -6.566 1.00 0.00 H new ATOM 0 HD11 ILE A 665 2.930 -10.448 -7.954 1.00 0.00 H new ATOM 0 HD12 ILE A 665 2.398 -11.365 -9.384 1.00 0.00 H new ATOM 0 HD13 ILE A 665 1.566 -11.584 -7.825 1.00 0.00 H new ATOM 1423 N VAL A 666 3.467 -17.285 -7.767 1.00 0.00 N ATOM 1424 CA VAL A 666 2.986 -18.625 -8.115 1.00 0.00 C ATOM 1425 C VAL A 666 1.936 -18.591 -9.237 1.00 0.00 C ATOM 1426 O VAL A 666 1.050 -17.706 -9.193 1.00 0.00 O ATOM 1427 CB VAL A 666 2.507 -19.364 -6.842 1.00 0.00 C ATOM 1428 CG1 VAL A 666 1.121 -18.920 -6.341 1.00 0.00 C ATOM 1429 CG2 VAL A 666 2.507 -20.885 -7.058 1.00 0.00 C ATOM 1430 OXT VAL A 666 2.026 -19.483 -10.110 1.00 0.00 O ATOM 0 H VAL A 666 3.485 -17.116 -6.761 1.00 0.00 H new ATOM 0 HA VAL A 666 3.816 -19.199 -8.527 1.00 0.00 H new ATOM 0 HB VAL A 666 3.225 -19.092 -6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 666 0.859 -19.485 -5.447 1.00 0.00 H new ATOM 0 HG12 VAL A 666 1.143 -17.856 -6.105 1.00 0.00 H new ATOM 0 HG13 VAL A 666 0.378 -19.104 -7.117 1.00 0.00 H new ATOM 0 HG21 VAL A 666 2.167 -21.382 -6.149 1.00 0.00 H new ATOM 0 HG22 VAL A 666 1.838 -21.136 -7.881 1.00 0.00 H new ATOM 0 HG23 VAL A 666 3.517 -21.219 -7.297 1.00 0.00 H new