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+ -157:sc= 1.28 (180deg=1.12) USER MOD Single : A 612 LYS NZ :NH3+ -172:sc= 1.22 (180deg=1.13) USER MOD Single : A 614 TYR OH : rot 167:sc= 0.0829 USER MOD Single : A 618 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 THR OG1 : rot -160:sc= 0 USER MOD Single : A 625 ASN : amide:sc= 0.244 K(o=0.24,f=-4.4!) USER MOD Single : A 629 THR OG1 : rot 102:sc= 1.22 USER MOD Single : A 631 MET CE :methyl 176:sc= 0 (180deg=-0.0203) USER MOD Single : A 632 MET CE :methyl 147:sc=-0.000961 (180deg=-0.363) USER MOD Single : A 635 TYR OH : rot 180:sc= 0.256 USER MOD Single : A 636 ASN : amide:sc= 1.16 K(o=1.2,f=-0.19) USER MOD Single : A 638 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 641 LYS NZ :NH3+ 168:sc= 0.377 (180deg=-0.722) USER MOD Single : A 650 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.19) USER MOD Single : A 652 LYS NZ :NH3+ 148:sc= -0.101 (180deg=-1.79!) USER MOD Single : A 662 TYR OH : rot 20:sc= 1.28 USER MOD Single : A 664 LYS NZ :NH3+ -168:sc= 2.01 (180deg=1.68) USER MOD ----------------------------------------------------------------- ATOM 324 N ARG A 601 -3.627 -1.680 1.742 1.00 0.00 N ATOM 325 CA ARG A 601 -2.976 -2.972 1.583 1.00 0.00 C ATOM 326 C ARG A 601 -2.107 -3.257 2.811 1.00 0.00 C ATOM 327 O ARG A 601 -2.331 -2.696 3.881 1.00 0.00 O ATOM 328 CB ARG A 601 -2.246 -3.018 0.227 1.00 0.00 C ATOM 329 CG ARG A 601 -1.223 -1.894 0.028 1.00 0.00 C ATOM 330 CD ARG A 601 -0.809 -1.811 -1.443 1.00 0.00 C ATOM 331 NE ARG A 601 -0.726 -0.400 -1.874 1.00 0.00 N ATOM 332 CZ ARG A 601 0.307 0.121 -2.550 1.00 0.00 C ATOM 333 NH1 ARG A 601 1.083 -0.654 -3.297 1.00 0.00 N ATOM 334 NH2 ARG A 601 0.585 1.421 -2.476 1.00 0.00 N ATOM 0 HA ARG A 601 -3.698 -3.788 1.545 1.00 0.00 H new ATOM 0 HB2 ARG A 601 -1.738 -3.978 0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 601 -2.985 -2.968 -0.573 1.00 0.00 H new ATOM 0 HG2 ARG A 601 -1.650 -0.943 0.348 1.00 0.00 H new ATOM 0 HG3 ARG A 601 -0.347 -2.075 0.650 1.00 0.00 H new ATOM 0 HD2 ARG A 601 0.155 -2.299 -1.584 1.00 0.00 H new ATOM 0 HD3 ARG A 601 -1.530 -2.345 -2.061 1.00 0.00 H new ATOM 0 HE ARG A 601 -1.505 0.217 -1.642 1.00 0.00 H new ATOM 0 HH11 ARG A 601 0.895 -1.655 -3.360 1.00 0.00 H new ATOM 0 HH12 ARG A 601 1.867 -0.249 -3.808 1.00 0.00 H new ATOM 0 HH21 ARG A 601 0.009 2.034 -1.899 1.00 0.00 H new ATOM 0 HH22 ARG A 601 1.374 1.804 -2.996 1.00 0.00 H new ATOM 348 N ASP A 602 -1.163 -4.182 2.669 1.00 0.00 N ATOM 349 CA ASP A 602 -0.521 -4.926 3.743 1.00 0.00 C ATOM 350 C ASP A 602 0.910 -5.251 3.328 1.00 0.00 C ATOM 351 O ASP A 602 1.186 -5.256 2.134 1.00 0.00 O ATOM 352 CB ASP A 602 -1.346 -6.208 3.854 1.00 0.00 C ATOM 353 CG ASP A 602 -0.778 -7.290 4.755 1.00 0.00 C ATOM 354 OD1 ASP A 602 -0.179 -6.944 5.801 1.00 0.00 O ATOM 355 OD2 ASP A 602 -0.927 -8.463 4.342 1.00 0.00 O ATOM 0 H ASP A 602 -0.807 -4.446 1.750 1.00 0.00 H new ATOM 0 HA ASP A 602 -0.478 -4.382 4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 602 -2.340 -5.946 4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 602 -1.470 -6.624 2.854 1.00 0.00 H new ATOM 360 N LYS A 603 1.815 -5.572 4.260 1.00 0.00 N ATOM 361 CA LYS A 603 3.241 -5.760 3.939 1.00 0.00 C ATOM 362 C LYS A 603 3.427 -6.895 2.933 1.00 0.00 C ATOM 363 O LYS A 603 4.185 -6.763 1.971 1.00 0.00 O ATOM 364 CB LYS A 603 4.145 -5.969 5.177 1.00 0.00 C ATOM 365 CG LYS A 603 3.641 -5.354 6.495 1.00 0.00 C ATOM 366 CD LYS A 603 2.742 -6.352 7.247 1.00 0.00 C ATOM 367 CE LYS A 603 1.705 -5.634 8.119 1.00 0.00 C ATOM 368 NZ LYS A 603 0.515 -6.485 8.333 1.00 0.00 N ATOM 0 H LYS A 603 1.588 -5.708 5.245 1.00 0.00 H new ATOM 0 HA LYS A 603 3.568 -4.822 3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 603 4.279 -7.040 5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 603 5.128 -5.553 4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 603 4.489 -5.076 7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 603 3.085 -4.440 6.287 1.00 0.00 H new ATOM 0 HD2 LYS A 603 2.232 -6.995 6.530 1.00 0.00 H new ATOM 0 HD3 LYS A 603 3.359 -6.998 7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 603 2.149 -5.375 9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 603 1.408 -4.700 7.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 -0.302 -5.886 8.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 0.312 -7.022 7.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 0.697 -7.146 9.115 1.00 0.00 H new ATOM 382 N PHE A 604 2.689 -7.991 3.134 1.00 0.00 N ATOM 383 CA PHE A 604 2.672 -9.125 2.223 1.00 0.00 C ATOM 384 C PHE A 604 2.203 -8.682 0.834 1.00 0.00 C ATOM 385 O PHE A 604 2.789 -9.070 -0.175 1.00 0.00 O ATOM 386 CB PHE A 604 1.757 -10.231 2.789 1.00 0.00 C ATOM 387 CG PHE A 604 1.974 -10.607 4.250 1.00 0.00 C ATOM 388 CD1 PHE A 604 3.265 -10.626 4.815 1.00 0.00 C ATOM 389 CD2 PHE A 604 0.864 -10.906 5.064 1.00 0.00 C ATOM 390 CE1 PHE A 604 3.434 -10.888 6.187 1.00 0.00 C ATOM 391 CE2 PHE A 604 1.036 -11.201 6.428 1.00 0.00 C ATOM 392 CZ PHE A 604 2.322 -11.186 6.992 1.00 0.00 C ATOM 0 H PHE A 604 2.082 -8.111 3.945 1.00 0.00 H new ATOM 0 HA PHE A 604 3.681 -9.525 2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 604 0.721 -9.913 2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 604 1.888 -11.127 2.182 1.00 0.00 H new ATOM 0 HD1 PHE A 604 4.128 -10.439 4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 604 -0.128 -10.909 4.637 1.00 0.00 H new ATOM 0 HE1 PHE A 604 4.422 -10.860 6.623 1.00 0.00 H new ATOM 0 HE2 PHE A 604 0.180 -11.439 7.042 1.00 0.00 H new ATOM 0 HZ PHE A 604 2.456 -11.403 8.042 1.00 0.00 H new ATOM 402 N ARG A 605 1.151 -7.854 0.789 1.00 0.00 N ATOM 403 CA ARG A 605 0.585 -7.337 -0.446 1.00 0.00 C ATOM 404 C ARG A 605 1.535 -6.348 -1.118 1.00 0.00 C ATOM 405 O ARG A 605 1.746 -6.503 -2.306 1.00 0.00 O ATOM 406 CB ARG A 605 -0.816 -6.743 -0.209 1.00 0.00 C ATOM 407 CG ARG A 605 -1.913 -7.821 -0.253 1.00 0.00 C ATOM 408 CD ARG A 605 -2.196 -8.394 1.142 1.00 0.00 C ATOM 409 NE ARG A 605 -2.999 -9.619 1.109 1.00 0.00 N ATOM 410 CZ ARG A 605 -3.316 -10.362 2.182 1.00 0.00 C ATOM 411 NH1 ARG A 605 -2.802 -10.124 3.394 1.00 0.00 N ATOM 412 NH2 ARG A 605 -4.176 -11.371 2.032 1.00 0.00 N ATOM 0 H ARG A 605 0.669 -7.525 1.625 1.00 0.00 H new ATOM 0 HA ARG A 605 0.460 -8.170 -1.138 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -0.839 -6.242 0.759 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -1.021 -5.985 -0.965 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.828 -7.394 -0.664 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -1.608 -8.625 -0.922 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -1.250 -8.601 1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -2.714 -7.643 1.738 1.00 0.00 H new ATOM 0 HE ARG A 605 -3.344 -9.932 0.201 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -2.145 -9.356 3.527 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -3.068 -10.711 4.185 1.00 0.00 H new ATOM 0 HH21 ARG A 605 -4.579 -11.566 1.115 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -4.430 -11.948 2.834 1.00 0.00 H new ATOM 426 N LEU A 606 2.142 -5.398 -0.398 1.00 0.00 N ATOM 427 CA LEU A 606 3.152 -4.464 -0.866 1.00 0.00 C ATOM 428 C LEU A 606 4.231 -5.248 -1.587 1.00 0.00 C ATOM 429 O LEU A 606 4.490 -4.972 -2.758 1.00 0.00 O ATOM 430 CB LEU A 606 3.766 -3.668 0.310 1.00 0.00 C ATOM 431 CG LEU A 606 2.869 -2.603 0.974 1.00 0.00 C ATOM 432 CD1 LEU A 606 3.574 -2.004 2.201 1.00 0.00 C ATOM 433 CD2 LEU A 606 2.578 -1.465 -0.002 1.00 0.00 C ATOM 0 H LEU A 606 1.922 -5.259 0.588 1.00 0.00 H new ATOM 0 HA LEU A 606 2.691 -3.744 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 606 4.074 -4.379 1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 606 4.670 -3.175 -0.049 1.00 0.00 H new ATOM 0 HG LEU A 606 1.940 -3.089 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 606 2.930 -1.254 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 606 3.783 -2.794 2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 606 4.510 -1.539 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 606 1.944 -0.723 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 606 3.515 -0.999 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 606 2.067 -1.860 -0.880 1.00 0.00 H new ATOM 445 N LEU A 607 4.829 -6.247 -0.918 1.00 0.00 N ATOM 446 CA LEU A 607 5.889 -6.988 -1.571 1.00 0.00 C ATOM 447 C LEU A 607 5.358 -7.726 -2.812 1.00 0.00 C ATOM 448 O LEU A 607 5.974 -7.653 -3.875 1.00 0.00 O ATOM 449 CB LEU A 607 6.658 -7.900 -0.593 1.00 0.00 C ATOM 450 CG LEU A 607 7.805 -8.682 -1.285 1.00 0.00 C ATOM 451 CD1 LEU A 607 9.183 -8.220 -0.811 1.00 0.00 C ATOM 452 CD2 LEU A 607 7.656 -10.190 -1.060 1.00 0.00 C ATOM 0 H LEU A 607 4.602 -6.542 0.032 1.00 0.00 H new ATOM 0 HA LEU A 607 6.629 -6.272 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 607 7.071 -7.295 0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 607 5.964 -8.607 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 607 7.729 -8.472 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 607 9.955 -8.795 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 607 9.309 -7.161 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 607 9.268 -8.374 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 607 8.473 -10.714 -1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 607 7.684 -10.403 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 607 6.705 -10.527 -1.473 1.00 0.00 H new ATOM 464 N LEU A 608 4.206 -8.399 -2.716 1.00 0.00 N ATOM 465 CA LEU A 608 3.624 -9.128 -3.833 1.00 0.00 C ATOM 466 C LEU A 608 3.256 -8.202 -4.999 1.00 0.00 C ATOM 467 O LEU A 608 3.377 -8.607 -6.152 1.00 0.00 O ATOM 468 CB LEU A 608 2.396 -9.879 -3.297 1.00 0.00 C ATOM 469 CG LEU A 608 1.699 -10.779 -4.324 1.00 0.00 C ATOM 470 CD1 LEU A 608 2.607 -11.914 -4.812 1.00 0.00 C ATOM 471 CD2 LEU A 608 0.430 -11.381 -3.704 1.00 0.00 C ATOM 0 H LEU A 608 3.656 -8.450 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 608 4.353 -9.830 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 608 2.702 -10.489 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 608 1.676 -9.151 -2.924 1.00 0.00 H new ATOM 0 HG LEU A 608 1.448 -10.158 -5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 608 2.069 -12.524 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 608 3.496 -11.493 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 608 2.902 -12.534 -3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 608 -0.064 -12.020 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 608 0.698 -11.972 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 608 -0.246 -10.579 -3.408 1.00 0.00 H new ATOM 483 N GLU A 609 2.839 -6.961 -4.725 1.00 0.00 N ATOM 484 CA GLU A 609 2.565 -5.958 -5.741 1.00 0.00 C ATOM 485 C GLU A 609 3.834 -5.660 -6.523 1.00 0.00 C ATOM 486 O GLU A 609 3.810 -5.703 -7.756 1.00 0.00 O ATOM 487 CB GLU A 609 2.016 -4.652 -5.148 1.00 0.00 C ATOM 488 CG GLU A 609 0.608 -4.739 -4.536 1.00 0.00 C ATOM 489 CD GLU A 609 -0.273 -3.647 -5.131 1.00 0.00 C ATOM 490 OE1 GLU A 609 -0.827 -3.882 -6.231 1.00 0.00 O ATOM 491 OE2 GLU A 609 -0.299 -2.554 -4.520 1.00 0.00 O ATOM 0 H GLU A 609 2.682 -6.627 -3.774 1.00 0.00 H new ATOM 0 HA GLU A 609 1.798 -6.368 -6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 609 2.706 -4.305 -4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 609 2.006 -3.895 -5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 609 0.174 -5.719 -4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 609 0.663 -4.627 -3.453 1.00 0.00 H new ATOM 498 N LEU A 610 4.940 -5.423 -5.807 1.00 0.00 N ATOM 499 CA LEU A 610 6.228 -5.203 -6.435 1.00 0.00 C ATOM 500 C LEU A 610 6.625 -6.409 -7.262 1.00 0.00 C ATOM 501 O LEU A 610 7.163 -6.219 -8.345 1.00 0.00 O ATOM 502 CB LEU A 610 7.331 -4.931 -5.407 1.00 0.00 C ATOM 503 CG LEU A 610 7.559 -3.465 -5.033 1.00 0.00 C ATOM 504 CD1 LEU A 610 6.578 -2.975 -3.975 1.00 0.00 C ATOM 505 CD2 LEU A 610 8.967 -3.379 -4.451 1.00 0.00 C ATOM 0 H LEU A 610 4.958 -5.381 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 610 6.121 -4.325 -7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 610 7.096 -5.484 -4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 610 8.267 -5.336 -5.793 1.00 0.00 H new ATOM 0 HG LEU A 610 7.420 -2.846 -5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 610 6.783 -1.929 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 610 5.559 -3.071 -4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 610 6.689 -3.573 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 610 9.181 -2.349 -4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 610 9.037 -4.020 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 610 9.690 -3.707 -5.198 1.00 0.00 H new ATOM 517 N ILE A 611 6.350 -7.628 -6.787 1.00 0.00 N ATOM 518 CA ILE A 611 6.650 -8.816 -7.569 1.00 0.00 C ATOM 519 C ILE A 611 5.986 -8.711 -8.943 1.00 0.00 C ATOM 520 O ILE A 611 6.661 -8.929 -9.945 1.00 0.00 O ATOM 521 CB ILE A 611 6.328 -10.122 -6.811 1.00 0.00 C ATOM 522 CG1 ILE A 611 7.308 -10.278 -5.632 1.00 0.00 C ATOM 523 CG2 ILE A 611 6.449 -11.325 -7.752 1.00 0.00 C ATOM 524 CD1 ILE A 611 7.040 -11.447 -4.692 1.00 0.00 C ATOM 0 H ILE A 611 5.926 -7.810 -5.877 1.00 0.00 H new ATOM 0 HA ILE A 611 7.726 -8.867 -7.735 1.00 0.00 H new ATOM 0 HB ILE A 611 5.306 -10.077 -6.435 1.00 0.00 H new ATOM 0 HG12 ILE A 611 8.315 -10.384 -6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 611 7.293 -9.357 -5.049 1.00 0.00 H new ATOM 0 HG21 ILE A 611 6.219 -12.239 -7.205 1.00 0.00 H new ATOM 0 HG22 ILE A 611 5.749 -11.212 -8.579 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.465 -11.381 -8.142 1.00 0.00 H new ATOM 0 HD11 ILE A 611 7.791 -11.458 -3.902 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.050 -11.339 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 611 7.088 -12.382 -5.251 1.00 0.00 H new ATOM 536 N LYS A 612 4.705 -8.346 -9.034 1.00 0.00 N ATOM 537 CA LYS A 612 4.025 -8.402 -10.327 1.00 0.00 C ATOM 538 C LYS A 612 4.333 -7.166 -11.149 1.00 0.00 C ATOM 539 O LYS A 612 4.492 -7.278 -12.362 1.00 0.00 O ATOM 540 CB LYS A 612 2.530 -8.719 -10.207 1.00 0.00 C ATOM 541 CG LYS A 612 1.726 -7.981 -9.131 1.00 0.00 C ATOM 542 CD LYS A 612 1.122 -6.653 -9.615 1.00 0.00 C ATOM 543 CE LYS A 612 0.111 -6.126 -8.590 1.00 0.00 C ATOM 544 NZ LYS A 612 -0.022 -4.654 -8.631 1.00 0.00 N ATOM 0 H LYS A 612 4.134 -8.019 -8.255 1.00 0.00 H new ATOM 0 HA LYS A 612 4.428 -9.251 -10.879 1.00 0.00 H new ATOM 0 HB2 LYS A 612 2.066 -8.513 -11.172 1.00 0.00 H new ATOM 0 HB3 LYS A 612 2.428 -9.789 -10.026 1.00 0.00 H new ATOM 0 HG2 LYS A 612 0.923 -8.629 -8.781 1.00 0.00 H new ATOM 0 HG3 LYS A 612 2.373 -7.786 -8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 612 1.913 -5.919 -9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 612 0.633 -6.797 -10.578 1.00 0.00 H new ATOM 0 HE2 LYS A 612 -0.862 -6.581 -8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 612 0.419 -6.432 -7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 612 -0.610 -4.336 -7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 612 0.920 -4.218 -8.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 612 -0.469 -4.371 -9.526 1.00 0.00 H new ATOM 558 N GLU A 613 4.517 -6.014 -10.497 1.00 0.00 N ATOM 559 CA GLU A 613 4.874 -4.786 -11.187 1.00 0.00 C ATOM 560 C GLU A 613 6.344 -4.764 -11.630 1.00 0.00 C ATOM 561 O GLU A 613 6.751 -3.819 -12.301 1.00 0.00 O ATOM 562 CB GLU A 613 4.353 -3.552 -10.434 1.00 0.00 C ATOM 563 CG GLU A 613 5.356 -2.935 -9.469 1.00 0.00 C ATOM 564 CD GLU A 613 4.719 -1.830 -8.620 1.00 0.00 C ATOM 565 OE1 GLU A 613 3.945 -2.129 -7.684 1.00 0.00 O ATOM 566 OE2 GLU A 613 4.908 -0.630 -8.938 1.00 0.00 O ATOM 0 H GLU A 613 4.422 -5.914 -9.486 1.00 0.00 H new ATOM 0 HA GLU A 613 4.348 -4.747 -12.141 1.00 0.00 H new ATOM 0 HB2 GLU A 613 4.055 -2.797 -11.161 1.00 0.00 H new ATOM 0 HB3 GLU A 613 3.457 -3.831 -9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 613 5.757 -3.710 -8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 613 6.196 -2.525 -10.030 1.00 0.00 H new ATOM 573 N TYR A 614 7.109 -5.828 -11.330 1.00 0.00 N ATOM 574 CA TYR A 614 8.464 -6.019 -11.818 1.00 0.00 C ATOM 575 C TYR A 614 8.605 -7.295 -12.631 1.00 0.00 C ATOM 576 O TYR A 614 9.365 -7.287 -13.591 1.00 0.00 O ATOM 577 CB TYR A 614 9.496 -5.926 -10.694 1.00 0.00 C ATOM 578 CG TYR A 614 9.906 -4.489 -10.452 1.00 0.00 C ATOM 579 CD1 TYR A 614 10.737 -3.855 -11.396 1.00 0.00 C ATOM 580 CD2 TYR A 614 9.378 -3.757 -9.373 1.00 0.00 C ATOM 581 CE1 TYR A 614 11.032 -2.489 -11.279 1.00 0.00 C ATOM 582 CE2 TYR A 614 9.679 -2.390 -9.244 1.00 0.00 C ATOM 583 CZ TYR A 614 10.501 -1.748 -10.200 1.00 0.00 C ATOM 584 OH TYR A 614 10.773 -0.418 -10.091 1.00 0.00 O ATOM 0 H TYR A 614 6.786 -6.587 -10.730 1.00 0.00 H new ATOM 0 HA TYR A 614 8.674 -5.195 -12.500 1.00 0.00 H new ATOM 0 HB2 TYR A 614 9.081 -6.349 -9.779 1.00 0.00 H new ATOM 0 HB3 TYR A 614 10.373 -6.520 -10.951 1.00 0.00 H new ATOM 0 HD1 TYR A 614 11.150 -4.425 -12.215 1.00 0.00 H new ATOM 0 HD2 TYR A 614 8.744 -4.243 -8.647 1.00 0.00 H new ATOM 0 HE1 TYR A 614 11.662 -2.006 -12.011 1.00 0.00 H new ATOM 0 HE2 TYR A 614 9.281 -1.828 -8.412 1.00 0.00 H new ATOM 0 HH TYR A 614 10.175 -0.015 -9.427 1.00 0.00 H new ATOM 594 N GLU A 615 7.822 -8.345 -12.366 1.00 0.00 N ATOM 595 CA GLU A 615 7.665 -9.412 -13.338 1.00 0.00 C ATOM 596 C GLU A 615 7.250 -8.808 -14.685 1.00 0.00 C ATOM 597 O GLU A 615 7.927 -9.046 -15.683 1.00 0.00 O ATOM 598 CB GLU A 615 6.690 -10.497 -12.847 1.00 0.00 C ATOM 599 CG GLU A 615 7.371 -11.556 -11.956 1.00 0.00 C ATOM 600 CD GLU A 615 6.599 -12.879 -11.886 1.00 0.00 C ATOM 601 OE1 GLU A 615 6.653 -13.615 -12.895 1.00 0.00 O ATOM 602 OE2 GLU A 615 6.020 -13.183 -10.816 1.00 0.00 O ATOM 0 H GLU A 615 7.298 -8.472 -11.500 1.00 0.00 H new ATOM 0 HA GLU A 615 8.620 -9.921 -13.470 1.00 0.00 H new ATOM 0 HB2 GLU A 615 5.881 -10.026 -12.289 1.00 0.00 H new ATOM 0 HB3 GLU A 615 6.239 -10.990 -13.708 1.00 0.00 H new ATOM 0 HG2 GLU A 615 8.374 -11.749 -12.336 1.00 0.00 H new ATOM 0 HG3 GLU A 615 7.483 -11.155 -10.949 1.00 0.00 H new ATOM 609 N ASP A 616 6.224 -7.955 -14.711 1.00 0.00 N ATOM 610 CA ASP A 616 5.725 -7.329 -15.935 1.00 0.00 C ATOM 611 C ASP A 616 6.799 -6.462 -16.600 1.00 0.00 C ATOM 612 O ASP A 616 6.909 -6.438 -17.823 1.00 0.00 O ATOM 613 CB ASP A 616 4.477 -6.508 -15.595 1.00 0.00 C ATOM 614 CG ASP A 616 3.792 -5.974 -16.852 1.00 0.00 C ATOM 615 OD1 ASP A 616 3.276 -6.820 -17.616 1.00 0.00 O ATOM 616 OD2 ASP A 616 3.754 -4.733 -17.003 1.00 0.00 O ATOM 0 H ASP A 616 5.712 -7.677 -13.874 1.00 0.00 H new ATOM 0 HA ASP A 616 5.463 -8.105 -16.654 1.00 0.00 H new ATOM 0 HB2 ASP A 616 3.777 -7.126 -15.034 1.00 0.00 H new ATOM 0 HB3 ASP A 616 4.754 -5.674 -14.950 1.00 0.00 H new ATOM 621 N ASP A 617 7.649 -5.825 -15.789 1.00 0.00 N ATOM 622 CA ASP A 617 8.744 -4.973 -16.242 1.00 0.00 C ATOM 623 C ASP A 617 9.829 -5.765 -16.944 1.00 0.00 C ATOM 624 O ASP A 617 10.387 -5.336 -17.953 1.00 0.00 O ATOM 625 CB ASP A 617 9.374 -4.317 -15.023 1.00 0.00 C ATOM 626 CG ASP A 617 10.447 -3.271 -15.335 1.00 0.00 C ATOM 627 OD1 ASP A 617 10.118 -2.283 -16.030 1.00 0.00 O ATOM 628 OD2 ASP A 617 11.582 -3.462 -14.836 1.00 0.00 O ATOM 0 H ASP A 617 7.590 -5.892 -14.773 1.00 0.00 H new ATOM 0 HA ASP A 617 8.334 -4.245 -16.942 1.00 0.00 H new ATOM 0 HB2 ASP A 617 8.587 -3.844 -14.436 1.00 0.00 H new ATOM 0 HB3 ASP A 617 9.815 -5.094 -14.398 1.00 0.00 H new ATOM 633 N TYR A 618 10.135 -6.931 -16.375 1.00 0.00 N ATOM 634 CA TYR A 618 11.268 -7.737 -16.779 1.00 0.00 C ATOM 635 C TYR A 618 10.808 -8.868 -17.696 1.00 0.00 C ATOM 636 O TYR A 618 11.633 -9.657 -18.157 1.00 0.00 O ATOM 637 CB TYR A 618 11.981 -8.224 -15.516 1.00 0.00 C ATOM 638 CG TYR A 618 13.452 -7.881 -15.482 1.00 0.00 C ATOM 639 CD1 TYR A 618 14.386 -8.713 -16.124 1.00 0.00 C ATOM 640 CD2 TYR A 618 13.874 -6.704 -14.832 1.00 0.00 C ATOM 641 CE1 TYR A 618 15.752 -8.383 -16.092 1.00 0.00 C ATOM 642 CE2 TYR A 618 15.238 -6.374 -14.784 1.00 0.00 C ATOM 643 CZ TYR A 618 16.182 -7.219 -15.411 1.00 0.00 C ATOM 644 OH TYR A 618 17.515 -6.960 -15.303 1.00 0.00 O ATOM 0 H TYR A 618 9.593 -7.339 -15.614 1.00 0.00 H new ATOM 0 HA TYR A 618 11.983 -7.156 -17.362 1.00 0.00 H new ATOM 0 HB2 TYR A 618 11.495 -7.788 -14.643 1.00 0.00 H new ATOM 0 HB3 TYR A 618 11.867 -9.305 -15.438 1.00 0.00 H new ATOM 0 HD1 TYR A 618 14.055 -9.602 -16.640 1.00 0.00 H new ATOM 0 HD2 TYR A 618 13.146 -6.054 -14.369 1.00 0.00 H new ATOM 0 HE1 TYR A 618 16.473 -9.017 -16.587 1.00 0.00 H new ATOM 0 HE2 TYR A 618 15.564 -5.481 -14.272 1.00 0.00 H new ATOM 0 HH TYR A 618 17.647 -6.124 -14.809 1.00 0.00 H new ATOM 654 N GLY A 619 9.496 -8.945 -17.952 1.00 0.00 N ATOM 655 CA GLY A 619 8.931 -9.962 -18.843 1.00 0.00 C ATOM 656 C GLY A 619 8.821 -11.334 -18.171 1.00 0.00 C ATOM 657 O GLY A 619 8.782 -12.361 -18.845 1.00 0.00 O ATOM 0 H GLY A 619 8.804 -8.311 -17.552 1.00 0.00 H new ATOM 0 HA2 GLY A 619 7.943 -9.642 -19.173 1.00 0.00 H new ATOM 0 HA3 GLY A 619 9.553 -10.046 -19.734 1.00 0.00 H new ATOM 661 N GLY A 620 8.776 -11.335 -16.839 1.00 0.00 N ATOM 662 CA GLY A 620 8.499 -12.458 -15.964 1.00 0.00 C ATOM 663 C GLY A 620 9.634 -12.738 -14.984 1.00 0.00 C ATOM 664 O GLY A 620 9.932 -13.903 -14.709 1.00 0.00 O ATOM 0 H GLY A 620 8.947 -10.480 -16.309 1.00 0.00 H new ATOM 0 HA2 GLY A 620 7.584 -12.261 -15.406 1.00 0.00 H new ATOM 0 HA3 GLY A 620 8.319 -13.347 -16.568 1.00 0.00 H new ATOM 668 N ARG A 621 10.278 -11.684 -14.458 1.00 0.00 N ATOM 669 CA ARG A 621 11.229 -11.782 -13.353 1.00 0.00 C ATOM 670 C ARG A 621 11.078 -10.589 -12.437 1.00 0.00 C ATOM 671 O ARG A 621 11.181 -9.460 -12.887 1.00 0.00 O ATOM 672 CB ARG A 621 12.672 -11.939 -13.877 1.00 0.00 C ATOM 673 CG ARG A 621 13.804 -11.502 -12.932 1.00 0.00 C ATOM 674 CD ARG A 621 15.166 -11.906 -13.507 1.00 0.00 C ATOM 675 NE ARG A 621 16.268 -11.584 -12.582 1.00 0.00 N ATOM 676 CZ ARG A 621 17.077 -10.516 -12.618 1.00 0.00 C ATOM 677 NH1 ARG A 621 16.898 -9.556 -13.524 1.00 0.00 N ATOM 678 NH2 ARG A 621 18.066 -10.406 -11.731 1.00 0.00 N ATOM 0 H ARG A 621 10.147 -10.731 -14.796 1.00 0.00 H new ATOM 0 HA ARG A 621 11.010 -12.678 -12.772 1.00 0.00 H new ATOM 0 HB2 ARG A 621 12.828 -12.987 -14.133 1.00 0.00 H new ATOM 0 HB3 ARG A 621 12.762 -11.368 -14.801 1.00 0.00 H new ATOM 0 HG2 ARG A 621 13.769 -10.422 -12.787 1.00 0.00 H new ATOM 0 HG3 ARG A 621 13.666 -11.959 -11.952 1.00 0.00 H new ATOM 0 HD2 ARG A 621 15.169 -12.975 -13.718 1.00 0.00 H new ATOM 0 HD3 ARG A 621 15.326 -11.394 -14.456 1.00 0.00 H new ATOM 0 HE ARG A 621 16.434 -12.251 -11.828 1.00 0.00 H new ATOM 0 HH11 ARG A 621 16.138 -9.629 -14.201 1.00 0.00 H new ATOM 0 HH12 ARG A 621 17.521 -8.748 -13.541 1.00 0.00 H new ATOM 0 HH21 ARG A 621 18.205 -11.133 -11.029 1.00 0.00 H new ATOM 0 HH22 ARG A 621 18.684 -9.595 -11.754 1.00 0.00 H new ATOM 692 N ALA A 622 10.892 -10.846 -11.148 1.00 0.00 N ATOM 693 CA ALA A 622 10.966 -9.827 -10.114 1.00 0.00 C ATOM 694 C ALA A 622 12.362 -9.885 -9.477 1.00 0.00 C ATOM 695 O ALA A 622 12.603 -10.744 -8.625 1.00 0.00 O ATOM 696 CB ALA A 622 9.845 -10.015 -9.098 1.00 0.00 C ATOM 0 H ALA A 622 10.684 -11.778 -10.790 1.00 0.00 H new ATOM 0 HA ALA A 622 10.824 -8.834 -10.540 1.00 0.00 H new ATOM 0 HB1 ALA A 622 9.916 -9.244 -8.331 1.00 0.00 H new ATOM 0 HB2 ALA A 622 8.881 -9.939 -9.601 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.935 -10.997 -8.634 1.00 0.00 H new ATOM 702 N PRO A 623 13.319 -9.041 -9.898 1.00 0.00 N ATOM 703 CA PRO A 623 14.654 -9.007 -9.314 1.00 0.00 C ATOM 704 C PRO A 623 14.600 -8.525 -7.854 1.00 0.00 C ATOM 705 O PRO A 623 14.103 -7.437 -7.546 1.00 0.00 O ATOM 706 CB PRO A 623 15.453 -8.060 -10.206 1.00 0.00 C ATOM 707 CG PRO A 623 14.399 -7.137 -10.803 1.00 0.00 C ATOM 708 CD PRO A 623 13.209 -8.061 -10.968 1.00 0.00 C ATOM 0 HA PRO A 623 15.117 -9.993 -9.275 1.00 0.00 H new ATOM 0 HB2 PRO A 623 16.194 -7.502 -9.633 1.00 0.00 H new ATOM 0 HB3 PRO A 623 15.993 -8.603 -10.982 1.00 0.00 H new ATOM 0 HG2 PRO A 623 14.173 -6.299 -10.144 1.00 0.00 H new ATOM 0 HG3 PRO A 623 14.721 -6.716 -11.755 1.00 0.00 H new ATOM 0 HD2 PRO A 623 12.272 -7.509 -10.898 1.00 0.00 H new ATOM 0 HD3 PRO A 623 13.222 -8.545 -11.945 1.00 0.00 H new ATOM 716 N THR A 624 15.133 -9.344 -6.947 1.00 0.00 N ATOM 717 CA THR A 624 15.043 -9.177 -5.500 1.00 0.00 C ATOM 718 C THR A 624 15.745 -7.904 -5.040 1.00 0.00 C ATOM 719 O THR A 624 15.258 -7.228 -4.133 1.00 0.00 O ATOM 720 CB THR A 624 15.623 -10.424 -4.816 1.00 0.00 C ATOM 721 OG1 THR A 624 14.862 -11.542 -5.219 1.00 0.00 O ATOM 722 CG2 THR A 624 15.591 -10.334 -3.291 1.00 0.00 C ATOM 0 H THR A 624 15.660 -10.175 -7.214 1.00 0.00 H new ATOM 0 HA THR A 624 13.996 -9.071 -5.215 1.00 0.00 H new ATOM 0 HB THR A 624 16.668 -10.511 -5.114 1.00 0.00 H new ATOM 0 HG1 THR A 624 14.992 -12.273 -4.580 1.00 0.00 H new ATOM 0 HG21 THR A 624 16.014 -11.243 -2.864 1.00 0.00 H new ATOM 0 HG22 THR A 624 16.176 -9.474 -2.965 1.00 0.00 H new ATOM 0 HG23 THR A 624 14.560 -10.220 -2.955 1.00 0.00 H new ATOM 730 N ASN A 625 16.849 -7.537 -5.700 1.00 0.00 N ATOM 731 CA ASN A 625 17.527 -6.283 -5.421 1.00 0.00 C ATOM 732 C ASN A 625 16.592 -5.098 -5.583 1.00 0.00 C ATOM 733 O ASN A 625 16.631 -4.156 -4.786 1.00 0.00 O ATOM 734 CB ASN A 625 18.750 -6.047 -6.323 1.00 0.00 C ATOM 735 CG ASN A 625 18.564 -6.369 -7.804 1.00 0.00 C ATOM 736 OD1 ASN A 625 18.175 -7.475 -8.166 1.00 0.00 O ATOM 737 ND2 ASN A 625 18.850 -5.420 -8.682 1.00 0.00 N ATOM 0 H ASN A 625 17.287 -8.098 -6.431 1.00 0.00 H new ATOM 0 HA ASN A 625 17.863 -6.366 -4.387 1.00 0.00 H new ATOM 0 HB2 ASN A 625 19.046 -5.002 -6.234 1.00 0.00 H new ATOM 0 HB3 ASN A 625 19.578 -6.646 -5.943 1.00 0.00 H new ATOM 0 HD21 ASN A 625 18.748 -5.602 -9.681 1.00 0.00 H new ATOM 0 HD22 ASN A 625 19.172 -4.507 -8.360 1.00 0.00 H new ATOM 744 N ILE A 626 15.773 -5.139 -6.632 1.00 0.00 N ATOM 745 CA ILE A 626 14.888 -4.045 -6.933 1.00 0.00 C ATOM 746 C ILE A 626 13.731 -4.074 -5.940 1.00 0.00 C ATOM 747 O ILE A 626 13.457 -3.031 -5.363 1.00 0.00 O ATOM 748 CB ILE A 626 14.438 -4.086 -8.398 1.00 0.00 C ATOM 749 CG1 ILE A 626 15.597 -4.225 -9.417 1.00 0.00 C ATOM 750 CG2 ILE A 626 13.659 -2.801 -8.656 1.00 0.00 C ATOM 751 CD1 ILE A 626 16.597 -3.060 -9.440 1.00 0.00 C ATOM 0 H ILE A 626 15.713 -5.924 -7.281 1.00 0.00 H new ATOM 0 HA ILE A 626 15.405 -3.092 -6.820 1.00 0.00 H new ATOM 0 HB ILE A 626 13.830 -4.979 -8.545 1.00 0.00 H new ATOM 0 HG12 ILE A 626 16.141 -5.144 -9.200 1.00 0.00 H new ATOM 0 HG13 ILE A 626 15.170 -4.335 -10.414 1.00 0.00 H new ATOM 0 HG21 ILE A 626 13.317 -2.785 -9.691 1.00 0.00 H new ATOM 0 HG22 ILE A 626 12.799 -2.757 -7.988 1.00 0.00 H new ATOM 0 HG23 ILE A 626 14.304 -1.942 -8.474 1.00 0.00 H new ATOM 0 HD11 ILE A 626 17.367 -3.256 -10.186 1.00 0.00 H new ATOM 0 HD12 ILE A 626 16.075 -2.137 -9.692 1.00 0.00 H new ATOM 0 HD13 ILE A 626 17.060 -2.959 -8.459 1.00 0.00 H new ATOM 763 N LEU A 627 13.124 -5.243 -5.676 1.00 0.00 N ATOM 764 CA LEU A 627 12.098 -5.413 -4.637 1.00 0.00 C ATOM 765 C LEU A 627 12.520 -4.757 -3.323 1.00 0.00 C ATOM 766 O LEU A 627 11.754 -3.982 -2.756 1.00 0.00 O ATOM 767 CB LEU A 627 11.825 -6.904 -4.385 1.00 0.00 C ATOM 768 CG LEU A 627 10.789 -7.503 -5.351 1.00 0.00 C ATOM 769 CD1 LEU A 627 11.250 -8.877 -5.842 1.00 0.00 C ATOM 770 CD2 LEU A 627 9.445 -7.627 -4.638 1.00 0.00 C ATOM 0 H LEU A 627 13.334 -6.103 -6.183 1.00 0.00 H new ATOM 0 HA LEU A 627 11.191 -4.928 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 627 12.759 -7.458 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 627 11.475 -7.034 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 627 10.684 -6.846 -6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 627 10.506 -9.288 -6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 627 12.203 -8.777 -6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 627 11.370 -9.546 -4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 627 8.709 -8.051 -5.321 1.00 0.00 H new ATOM 0 HD22 LEU A 627 9.552 -8.277 -3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 627 9.113 -6.641 -4.314 1.00 0.00 H new ATOM 782 N ILE A 628 13.728 -5.066 -2.844 1.00 0.00 N ATOM 783 CA ILE A 628 14.260 -4.496 -1.611 1.00 0.00 C ATOM 784 C ILE A 628 14.354 -2.977 -1.767 1.00 0.00 C ATOM 785 O ILE A 628 13.750 -2.248 -0.979 1.00 0.00 O ATOM 786 CB ILE A 628 15.610 -5.157 -1.252 1.00 0.00 C ATOM 787 CG1 ILE A 628 15.392 -6.639 -0.858 1.00 0.00 C ATOM 788 CG2 ILE A 628 16.297 -4.406 -0.097 1.00 0.00 C ATOM 789 CD1 ILE A 628 16.680 -7.467 -0.930 1.00 0.00 C ATOM 0 H ILE A 628 14.362 -5.719 -3.303 1.00 0.00 H new ATOM 0 HA ILE A 628 13.592 -4.700 -0.774 1.00 0.00 H new ATOM 0 HB ILE A 628 16.255 -5.110 -2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 628 14.991 -6.686 0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 628 14.645 -7.080 -1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 628 17.245 -4.889 0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 628 16.480 -3.373 -0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 628 15.653 -4.423 0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 628 16.467 -8.497 -0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 628 17.069 -7.447 -1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 628 17.421 -7.047 -0.250 1.00 0.00 H new ATOM 801 N THR A 629 15.092 -2.515 -2.784 1.00 0.00 N ATOM 802 CA THR A 629 15.391 -1.106 -3.003 1.00 0.00 C ATOM 803 C THR A 629 14.086 -0.307 -3.034 1.00 0.00 C ATOM 804 O THR A 629 13.917 0.642 -2.275 1.00 0.00 O ATOM 805 CB THR A 629 16.208 -0.950 -4.301 1.00 0.00 C ATOM 806 OG1 THR A 629 17.363 -1.767 -4.270 1.00 0.00 O ATOM 807 CG2 THR A 629 16.673 0.492 -4.515 1.00 0.00 C ATOM 0 H THR A 629 15.503 -3.128 -3.488 1.00 0.00 H new ATOM 0 HA THR A 629 15.996 -0.712 -2.187 1.00 0.00 H new ATOM 0 HB THR A 629 15.545 -1.246 -5.114 1.00 0.00 H new ATOM 0 HG1 THR A 629 17.211 -2.569 -4.813 1.00 0.00 H new ATOM 0 HG21 THR A 629 17.245 0.556 -5.441 1.00 0.00 H new ATOM 0 HG22 THR A 629 15.805 1.149 -4.578 1.00 0.00 H new ATOM 0 HG23 THR A 629 17.301 0.800 -3.679 1.00 0.00 H new ATOM 815 N GLU A 630 13.134 -0.742 -3.858 1.00 0.00 N ATOM 816 CA GLU A 630 11.827 -0.132 -4.015 1.00 0.00 C ATOM 817 C GLU A 630 11.039 -0.148 -2.708 1.00 0.00 C ATOM 818 O GLU A 630 10.433 0.858 -2.367 1.00 0.00 O ATOM 819 CB GLU A 630 11.073 -0.895 -5.103 1.00 0.00 C ATOM 820 CG GLU A 630 11.440 -0.425 -6.508 1.00 0.00 C ATOM 821 CD GLU A 630 10.487 0.707 -6.888 1.00 0.00 C ATOM 822 OE1 GLU A 630 9.385 0.390 -7.384 1.00 0.00 O ATOM 823 OE2 GLU A 630 10.736 1.873 -6.529 1.00 0.00 O ATOM 0 H GLU A 630 13.263 -1.560 -4.454 1.00 0.00 H new ATOM 0 HA GLU A 630 11.949 0.913 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 630 11.289 -1.960 -5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 630 10.001 -0.773 -4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 630 12.473 -0.080 -6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 630 11.359 -1.247 -7.219 1.00 0.00 H new ATOM 830 N MET A 631 11.043 -1.238 -1.939 1.00 0.00 N ATOM 831 CA MET A 631 10.335 -1.260 -0.662 1.00 0.00 C ATOM 832 C MET A 631 10.914 -0.243 0.327 1.00 0.00 C ATOM 833 O MET A 631 10.129 0.419 1.011 1.00 0.00 O ATOM 834 CB MET A 631 10.386 -2.663 -0.069 1.00 0.00 C ATOM 835 CG MET A 631 9.386 -3.637 -0.701 1.00 0.00 C ATOM 836 SD MET A 631 7.647 -3.400 -0.235 1.00 0.00 S ATOM 837 CE MET A 631 7.623 -4.254 1.363 1.00 0.00 C ATOM 0 H MET A 631 11.523 -2.106 -2.176 1.00 0.00 H new ATOM 0 HA MET A 631 9.298 -0.980 -0.847 1.00 0.00 H new ATOM 0 HB2 MET A 631 11.393 -3.062 -0.189 1.00 0.00 H new ATOM 0 HB3 MET A 631 10.193 -2.602 1.002 1.00 0.00 H new ATOM 0 HG2 MET A 631 9.466 -3.557 -1.785 1.00 0.00 H new ATOM 0 HG3 MET A 631 9.679 -4.652 -0.434 1.00 0.00 H new ATOM 0 HE1 MET A 631 6.640 -4.141 1.821 1.00 0.00 H new ATOM 0 HE2 MET A 631 7.834 -5.313 1.213 1.00 0.00 H new ATOM 0 HE3 MET A 631 8.380 -3.822 2.018 1.00 0.00 H new ATOM 847 N MET A 632 12.244 -0.065 0.403 1.00 0.00 N ATOM 848 CA MET A 632 12.803 0.931 1.328 1.00 0.00 C ATOM 849 C MET A 632 12.606 2.343 0.782 1.00 0.00 C ATOM 850 O MET A 632 12.623 3.290 1.563 1.00 0.00 O ATOM 851 CB MET A 632 14.288 0.699 1.698 1.00 0.00 C ATOM 852 CG MET A 632 15.060 -0.331 0.873 1.00 0.00 C ATOM 853 SD MET A 632 16.858 -0.339 1.100 1.00 0.00 S ATOM 854 CE MET A 632 16.941 -0.779 2.850 1.00 0.00 C ATOM 0 H MET A 632 12.932 -0.580 -0.146 1.00 0.00 H new ATOM 0 HA MET A 632 12.245 0.810 2.256 1.00 0.00 H new ATOM 0 HB2 MET A 632 14.809 1.653 1.620 1.00 0.00 H new ATOM 0 HB3 MET A 632 14.332 0.396 2.744 1.00 0.00 H new ATOM 0 HG2 MET A 632 14.678 -1.323 1.116 1.00 0.00 H new ATOM 0 HG3 MET A 632 14.847 -0.157 -0.182 1.00 0.00 H new ATOM 0 HE1 MET A 632 17.833 -1.378 3.033 1.00 0.00 H new ATOM 0 HE2 MET A 632 16.984 0.129 3.452 1.00 0.00 H new ATOM 0 HE3 MET A 632 16.056 -1.354 3.123 1.00 0.00 H new ATOM 864 N ASP A 633 12.387 2.492 -0.526 1.00 0.00 N ATOM 865 CA ASP A 633 12.299 3.785 -1.174 1.00 0.00 C ATOM 866 C ASP A 633 10.863 4.276 -1.122 1.00 0.00 C ATOM 867 O ASP A 633 10.578 5.389 -0.684 1.00 0.00 O ATOM 868 CB ASP A 633 12.765 3.619 -2.620 1.00 0.00 C ATOM 869 CG ASP A 633 12.853 4.975 -3.318 1.00 0.00 C ATOM 870 OD1 ASP A 633 13.931 5.601 -3.216 1.00 0.00 O ATOM 871 OD2 ASP A 633 11.836 5.373 -3.927 1.00 0.00 O ATOM 0 H ASP A 633 12.266 1.705 -1.164 1.00 0.00 H new ATOM 0 HA ASP A 633 12.928 4.519 -0.670 1.00 0.00 H new ATOM 0 HB2 ASP A 633 13.739 3.130 -2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 633 12.073 2.972 -3.158 1.00 0.00 H new ATOM 876 N ARG A 634 9.947 3.397 -1.533 1.00 0.00 N ATOM 877 CA ARG A 634 8.556 3.738 -1.750 1.00 0.00 C ATOM 878 C ARG A 634 7.707 3.392 -0.534 1.00 0.00 C ATOM 879 O ARG A 634 6.616 3.946 -0.412 1.00 0.00 O ATOM 880 CB ARG A 634 8.065 3.042 -3.032 1.00 0.00 C ATOM 881 CG ARG A 634 8.719 3.647 -4.293 1.00 0.00 C ATOM 882 CD ARG A 634 7.810 3.653 -5.535 1.00 0.00 C ATOM 883 NE ARG A 634 7.730 2.354 -6.232 1.00 0.00 N ATOM 884 CZ ARG A 634 6.656 1.797 -6.820 1.00 0.00 C ATOM 885 NH1 ARG A 634 5.432 2.307 -6.677 1.00 0.00 N ATOM 886 NH2 ARG A 634 6.806 0.718 -7.576 1.00 0.00 N ATOM 0 H ARG A 634 10.162 2.418 -1.724 1.00 0.00 H new ATOM 0 HA ARG A 634 8.457 4.815 -1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 634 8.292 1.977 -2.979 1.00 0.00 H new ATOM 0 HB3 ARG A 634 6.981 3.133 -3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 634 9.024 4.671 -4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 634 9.625 3.087 -4.523 1.00 0.00 H new ATOM 0 HD2 ARG A 634 6.806 3.954 -5.235 1.00 0.00 H new ATOM 0 HD3 ARG A 634 8.174 4.406 -6.234 1.00 0.00 H new ATOM 0 HE ARG A 634 8.594 1.813 -6.273 1.00 0.00 H new ATOM 0 HH11 ARG A 634 5.291 3.142 -6.109 1.00 0.00 H new ATOM 0 HH12 ARG A 634 4.637 1.862 -7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 634 7.733 0.314 -7.710 1.00 0.00 H new ATOM 0 HH22 ARG A 634 5.994 0.292 -8.024 1.00 0.00 H new ATOM 900 N TYR A 635 8.187 2.525 0.376 1.00 0.00 N ATOM 901 CA TYR A 635 7.408 2.098 1.533 1.00 0.00 C ATOM 902 C TYR A 635 8.208 2.127 2.845 1.00 0.00 C ATOM 903 O TYR A 635 7.654 1.787 3.889 1.00 0.00 O ATOM 904 CB TYR A 635 6.781 0.731 1.220 1.00 0.00 C ATOM 905 CG TYR A 635 5.880 0.758 -0.009 1.00 0.00 C ATOM 906 CD1 TYR A 635 4.628 1.400 0.055 1.00 0.00 C ATOM 907 CD2 TYR A 635 6.326 0.234 -1.239 1.00 0.00 C ATOM 908 CE1 TYR A 635 3.825 1.511 -1.096 1.00 0.00 C ATOM 909 CE2 TYR A 635 5.534 0.351 -2.397 1.00 0.00 C ATOM 910 CZ TYR A 635 4.273 0.987 -2.330 1.00 0.00 C ATOM 911 OH TYR A 635 3.496 1.096 -3.451 1.00 0.00 O ATOM 0 H TYR A 635 9.117 2.109 0.324 1.00 0.00 H new ATOM 0 HA TYR A 635 6.607 2.815 1.711 1.00 0.00 H new ATOM 0 HB2 TYR A 635 7.575 -0.000 1.066 1.00 0.00 H new ATOM 0 HB3 TYR A 635 6.202 0.397 2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 635 4.282 1.810 0.993 1.00 0.00 H new ATOM 0 HD2 TYR A 635 7.284 -0.262 -1.294 1.00 0.00 H new ATOM 0 HE1 TYR A 635 2.863 1.998 -1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 635 5.890 -0.045 -3.337 1.00 0.00 H new ATOM 0 HH TYR A 635 3.958 0.683 -4.210 1.00 0.00 H new ATOM 921 N ASN A 636 9.471 2.584 2.817 1.00 0.00 N ATOM 922 CA ASN A 636 10.355 2.746 3.979 1.00 0.00 C ATOM 923 C ASN A 636 10.470 1.443 4.802 1.00 0.00 C ATOM 924 O ASN A 636 10.568 1.471 6.030 1.00 0.00 O ATOM 925 CB ASN A 636 9.893 3.984 4.775 1.00 0.00 C ATOM 926 CG ASN A 636 10.937 4.612 5.706 1.00 0.00 C ATOM 927 OD1 ASN A 636 11.312 5.765 5.538 1.00 0.00 O ATOM 928 ND2 ASN A 636 11.396 3.904 6.725 1.00 0.00 N ATOM 0 H ASN A 636 9.921 2.862 1.945 1.00 0.00 H new ATOM 0 HA ASN A 636 11.380 2.933 3.660 1.00 0.00 H new ATOM 0 HB2 ASN A 636 9.562 4.744 4.067 1.00 0.00 H new ATOM 0 HB3 ASN A 636 9.024 3.705 5.371 1.00 0.00 H new ATOM 0 HD21 ASN A 636 12.065 4.319 7.374 1.00 0.00 H new ATOM 0 HD22 ASN A 636 11.081 2.944 6.862 1.00 0.00 H new ATOM 935 N VAL A 637 10.450 0.282 4.138 1.00 0.00 N ATOM 936 CA VAL A 637 10.609 -1.015 4.794 1.00 0.00 C ATOM 937 C VAL A 637 12.090 -1.414 4.709 1.00 0.00 C ATOM 938 O VAL A 637 12.645 -1.464 3.612 1.00 0.00 O ATOM 939 CB VAL A 637 9.663 -2.051 4.154 1.00 0.00 C ATOM 940 CG1 VAL A 637 9.678 -3.365 4.942 1.00 0.00 C ATOM 941 CG2 VAL A 637 8.208 -1.559 4.102 1.00 0.00 C ATOM 0 H VAL A 637 10.323 0.218 3.128 1.00 0.00 H new ATOM 0 HA VAL A 637 10.332 -0.964 5.847 1.00 0.00 H new ATOM 0 HB VAL A 637 10.030 -2.203 3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 637 9.003 -4.079 4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 637 10.689 -3.772 4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 637 9.353 -3.179 5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 637 7.582 -2.324 3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 637 7.855 -1.360 5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 637 8.154 -0.644 3.512 1.00 0.00 H new ATOM 951 N SER A 638 12.742 -1.668 5.852 1.00 0.00 N ATOM 952 CA SER A 638 14.152 -2.011 5.938 1.00 0.00 C ATOM 953 C SER A 638 14.399 -3.349 5.253 1.00 0.00 C ATOM 954 O SER A 638 13.549 -4.236 5.314 1.00 0.00 O ATOM 955 CB SER A 638 14.559 -2.110 7.415 1.00 0.00 C ATOM 956 OG SER A 638 13.993 -1.056 8.172 1.00 0.00 O ATOM 0 H SER A 638 12.283 -1.637 6.762 1.00 0.00 H new ATOM 0 HA SER A 638 14.744 -1.240 5.444 1.00 0.00 H new ATOM 0 HB2 SER A 638 14.235 -3.068 7.821 1.00 0.00 H new ATOM 0 HB3 SER A 638 15.645 -2.079 7.499 1.00 0.00 H new ATOM 0 HG SER A 638 14.266 -1.143 9.109 1.00 0.00 H new ATOM 962 N GLU A 639 15.593 -3.528 4.686 1.00 0.00 N ATOM 963 CA GLU A 639 15.961 -4.682 3.876 1.00 0.00 C ATOM 964 C GLU A 639 15.652 -6.003 4.579 1.00 0.00 C ATOM 965 O GLU A 639 15.110 -6.901 3.948 1.00 0.00 O ATOM 966 CB GLU A 639 17.441 -4.532 3.491 1.00 0.00 C ATOM 967 CG GLU A 639 18.063 -5.781 2.853 1.00 0.00 C ATOM 968 CD GLU A 639 19.426 -5.458 2.229 1.00 0.00 C ATOM 969 OE1 GLU A 639 20.309 -4.995 2.985 1.00 0.00 O ATOM 970 OE2 GLU A 639 19.558 -5.643 0.999 1.00 0.00 O ATOM 0 H GLU A 639 16.351 -2.852 4.783 1.00 0.00 H new ATOM 0 HA GLU A 639 15.358 -4.712 2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 639 17.540 -3.698 2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 639 18.011 -4.273 4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 639 18.179 -6.559 3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 639 17.393 -6.175 2.089 1.00 0.00 H new ATOM 977 N GLU A 640 15.884 -6.093 5.891 1.00 0.00 N ATOM 978 CA GLU A 640 15.626 -7.311 6.666 1.00 0.00 C ATOM 979 C GLU A 640 14.113 -7.575 6.738 1.00 0.00 C ATOM 980 O GLU A 640 13.628 -8.689 6.532 1.00 0.00 O ATOM 981 CB GLU A 640 16.232 -7.110 8.066 1.00 0.00 C ATOM 982 CG GLU A 640 16.048 -8.318 8.995 1.00 0.00 C ATOM 983 CD GLU A 640 16.604 -8.025 10.392 1.00 0.00 C ATOM 984 OE1 GLU A 640 15.986 -7.184 11.085 1.00 0.00 O ATOM 985 OE2 GLU A 640 17.634 -8.638 10.749 1.00 0.00 O ATOM 0 H GLU A 640 16.256 -5.323 6.447 1.00 0.00 H new ATOM 0 HA GLU A 640 16.083 -8.181 6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 640 17.297 -6.899 7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 640 15.776 -6.234 8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 640 14.990 -8.569 9.066 1.00 0.00 H new ATOM 0 HG3 GLU A 640 16.554 -9.186 8.573 1.00 0.00 H new ATOM 992 N LYS A 641 13.367 -6.498 6.993 1.00 0.00 N ATOM 993 CA LYS A 641 11.918 -6.441 7.126 1.00 0.00 C ATOM 994 C LYS A 641 11.218 -6.624 5.777 1.00 0.00 C ATOM 995 O LYS A 641 10.011 -6.842 5.768 1.00 0.00 O ATOM 996 CB LYS A 641 11.567 -5.084 7.767 1.00 0.00 C ATOM 997 CG LYS A 641 10.657 -5.163 8.994 1.00 0.00 C ATOM 998 CD LYS A 641 9.143 -5.152 8.720 1.00 0.00 C ATOM 999 CE LYS A 641 8.511 -6.532 8.540 1.00 0.00 C ATOM 1000 NZ LYS A 641 8.618 -7.366 9.754 1.00 0.00 N ATOM 0 H LYS A 641 13.794 -5.581 7.120 1.00 0.00 H new ATOM 0 HA LYS A 641 11.567 -7.258 7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 641 12.493 -4.584 8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 641 11.085 -4.459 7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 641 10.899 -6.074 9.542 1.00 0.00 H new ATOM 0 HG3 LYS A 641 10.892 -4.325 9.649 1.00 0.00 H new ATOM 0 HD2 LYS A 641 8.643 -4.644 9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 641 8.955 -4.563 7.822 1.00 0.00 H new ATOM 0 HE2 LYS A 641 7.460 -6.415 8.275 1.00 0.00 H new ATOM 0 HE3 LYS A 641 8.995 -7.044 7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 641 8.007 -8.202 9.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 641 9.604 -7.671 9.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 641 8.319 -6.813 10.582 1.00 0.00 H new ATOM 1014 N VAL A 642 11.947 -6.531 4.660 1.00 0.00 N ATOM 1015 CA VAL A 642 11.520 -6.975 3.328 1.00 0.00 C ATOM 1016 C VAL A 642 11.955 -8.416 3.072 1.00 0.00 C ATOM 1017 O VAL A 642 11.132 -9.200 2.601 1.00 0.00 O ATOM 1018 CB VAL A 642 12.086 -6.062 2.212 1.00 0.00 C ATOM 1019 CG1 VAL A 642 11.499 -6.447 0.846 1.00 0.00 C ATOM 1020 CG2 VAL A 642 11.765 -4.582 2.415 1.00 0.00 C ATOM 0 H VAL A 642 12.885 -6.130 4.658 1.00 0.00 H new ATOM 0 HA VAL A 642 10.432 -6.915 3.305 1.00 0.00 H new ATOM 0 HB VAL A 642 13.166 -6.207 2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 642 11.910 -5.794 0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.756 -7.482 0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.415 -6.339 0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 642 12.192 -4.002 1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 642 10.684 -4.443 2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 642 12.190 -4.244 3.360 1.00 0.00 H new ATOM 1030 N GLU A 643 13.209 -8.781 3.364 1.00 0.00 N ATOM 1031 CA GLU A 643 13.734 -10.123 3.137 1.00 0.00 C ATOM 1032 C GLU A 643 12.858 -11.158 3.823 1.00 0.00 C ATOM 1033 O GLU A 643 12.590 -12.203 3.232 1.00 0.00 O ATOM 1034 CB GLU A 643 15.179 -10.275 3.633 1.00 0.00 C ATOM 1035 CG GLU A 643 16.229 -9.827 2.610 1.00 0.00 C ATOM 1036 CD GLU A 643 17.613 -10.325 3.035 1.00 0.00 C ATOM 1037 OE1 GLU A 643 18.151 -9.769 4.018 1.00 0.00 O ATOM 1038 OE2 GLU A 643 18.088 -11.296 2.403 1.00 0.00 O ATOM 0 H GLU A 643 13.892 -8.141 3.769 1.00 0.00 H new ATOM 0 HA GLU A 643 13.728 -10.285 2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 643 15.304 -9.694 4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 643 15.358 -11.319 3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 643 15.979 -10.218 1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 643 16.232 -8.740 2.531 1.00 0.00 H new ATOM 1045 N GLU A 644 12.361 -10.863 5.031 1.00 0.00 N ATOM 1046 CA GLU A 644 11.441 -11.766 5.699 1.00 0.00 C ATOM 1047 C GLU A 644 10.215 -12.018 4.812 1.00 0.00 C ATOM 1048 O GLU A 644 9.834 -13.172 4.659 1.00 0.00 O ATOM 1049 CB GLU A 644 11.100 -11.292 7.123 1.00 0.00 C ATOM 1050 CG GLU A 644 9.852 -10.408 7.192 1.00 0.00 C ATOM 1051 CD GLU A 644 9.564 -9.834 8.573 1.00 0.00 C ATOM 1052 OE1 GLU A 644 10.446 -9.153 9.145 1.00 0.00 O ATOM 1053 OE2 GLU A 644 8.387 -9.886 9.004 1.00 0.00 O ATOM 0 H GLU A 644 12.582 -10.015 5.553 1.00 0.00 H new ATOM 0 HA GLU A 644 11.929 -12.730 5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 644 10.954 -12.163 7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 644 11.949 -10.740 7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 644 9.965 -9.585 6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 644 8.990 -10.991 6.867 1.00 0.00 H new ATOM 1060 N LEU A 645 9.639 -10.972 4.192 1.00 0.00 N ATOM 1061 CA LEU A 645 8.396 -11.001 3.411 1.00 0.00 C ATOM 1062 C LEU A 645 8.533 -11.904 2.196 1.00 0.00 C ATOM 1063 O LEU A 645 7.579 -12.585 1.818 1.00 0.00 O ATOM 1064 CB LEU A 645 7.892 -9.600 3.053 1.00 0.00 C ATOM 1065 CG LEU A 645 7.802 -8.685 4.289 1.00 0.00 C ATOM 1066 CD1 LEU A 645 7.331 -7.304 3.846 1.00 0.00 C ATOM 1067 CD2 LEU A 645 6.893 -9.178 5.428 1.00 0.00 C ATOM 0 H LEU A 645 10.051 -10.039 4.226 1.00 0.00 H new ATOM 0 HA LEU A 645 7.624 -11.434 4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 645 8.560 -9.151 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 645 6.910 -9.676 2.586 1.00 0.00 H new ATOM 0 HG LEU A 645 8.807 -8.674 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 645 7.263 -6.647 4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 645 8.042 -6.889 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 645 6.351 -7.387 3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 645 6.907 -8.455 6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 645 5.874 -9.288 5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 645 7.253 -10.141 5.790 1.00 0.00 H new ATOM 1079 N ILE A 646 9.742 -11.968 1.640 1.00 0.00 N ATOM 1080 CA ILE A 646 10.095 -12.926 0.608 1.00 0.00 C ATOM 1081 C ILE A 646 9.906 -14.338 1.174 1.00 0.00 C ATOM 1082 O ILE A 646 9.225 -15.155 0.558 1.00 0.00 O ATOM 1083 CB ILE A 646 11.534 -12.664 0.103 1.00 0.00 C ATOM 1084 CG1 ILE A 646 11.681 -11.210 -0.404 1.00 0.00 C ATOM 1085 CG2 ILE A 646 11.908 -13.710 -0.957 1.00 0.00 C ATOM 1086 CD1 ILE A 646 13.104 -10.834 -0.820 1.00 0.00 C ATOM 0 H ILE A 646 10.508 -11.347 1.900 1.00 0.00 H new ATOM 0 HA ILE A 646 9.445 -12.820 -0.261 1.00 0.00 H new ATOM 0 HB ILE A 646 12.239 -12.771 0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 646 11.015 -11.064 -1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 646 11.351 -10.528 0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 646 12.922 -13.523 -1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 646 11.854 -14.707 -0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 646 11.213 -13.644 -1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 646 13.121 -9.799 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 646 13.774 -10.945 0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 646 13.432 -11.489 -1.627 1.00 0.00 H new ATOM 1098 N ARG A 647 10.460 -14.636 2.356 1.00 0.00 N ATOM 1099 CA ARG A 647 10.308 -15.956 2.979 1.00 0.00 C ATOM 1100 C ARG A 647 8.840 -16.217 3.264 1.00 0.00 C ATOM 1101 O ARG A 647 8.362 -17.284 2.905 1.00 0.00 O ATOM 1102 CB ARG A 647 11.107 -16.115 4.291 1.00 0.00 C ATOM 1103 CG ARG A 647 12.444 -15.381 4.244 1.00 0.00 C ATOM 1104 CD ARG A 647 13.431 -15.728 5.364 1.00 0.00 C ATOM 1105 NE ARG A 647 13.907 -17.122 5.303 1.00 0.00 N ATOM 1106 CZ ARG A 647 15.070 -17.583 5.791 1.00 0.00 C ATOM 1107 NH1 ARG A 647 15.949 -16.760 6.367 1.00 0.00 N ATOM 1108 NH2 ARG A 647 15.354 -18.883 5.701 1.00 0.00 N ATOM 0 H ARG A 647 11.019 -13.979 2.901 1.00 0.00 H new ATOM 0 HA ARG A 647 10.709 -16.680 2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 647 10.515 -15.735 5.123 1.00 0.00 H new ATOM 0 HB3 ARG A 647 11.282 -17.174 4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 647 12.920 -15.592 3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 647 12.250 -14.309 4.274 1.00 0.00 H new ATOM 0 HD2 ARG A 647 14.287 -15.055 5.308 1.00 0.00 H new ATOM 0 HD3 ARG A 647 12.953 -15.555 6.328 1.00 0.00 H new ATOM 0 HE ARG A 647 13.296 -17.800 4.847 1.00 0.00 H new ATOM 0 HH11 ARG A 647 15.742 -15.764 6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 647 16.828 -17.127 6.732 1.00 0.00 H new ATOM 0 HH21 ARG A 647 14.689 -19.521 5.263 1.00 0.00 H new ATOM 0 HH22 ARG A 647 16.236 -19.239 6.070 1.00 0.00 H new ATOM 1122 N ILE A 648 8.142 -15.241 3.858 1.00 0.00 N ATOM 1123 CA ILE A 648 6.722 -15.330 4.219 1.00 0.00 C ATOM 1124 C ILE A 648 5.951 -15.930 3.037 1.00 0.00 C ATOM 1125 O ILE A 648 5.396 -17.025 3.109 1.00 0.00 O ATOM 1126 CB ILE A 648 6.109 -13.950 4.595 1.00 0.00 C ATOM 1127 CG1 ILE A 648 6.731 -13.108 5.712 1.00 0.00 C ATOM 1128 CG2 ILE A 648 4.614 -14.114 4.896 1.00 0.00 C ATOM 1129 CD1 ILE A 648 6.905 -13.764 7.051 1.00 0.00 C ATOM 0 H ILE A 648 8.560 -14.345 4.107 1.00 0.00 H new ATOM 0 HA ILE A 648 6.641 -15.964 5.102 1.00 0.00 H new ATOM 0 HB ILE A 648 6.337 -13.370 3.701 1.00 0.00 H new ATOM 0 HG12 ILE A 648 7.709 -12.767 5.373 1.00 0.00 H new ATOM 0 HG13 ILE A 648 6.114 -12.220 5.849 1.00 0.00 H new ATOM 0 HG21 ILE A 648 4.187 -13.146 5.159 1.00 0.00 H new ATOM 0 HG22 ILE A 648 4.106 -14.507 4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 648 4.484 -14.806 5.728 1.00 0.00 H new ATOM 0 HD11 ILE A 648 7.355 -13.056 7.747 1.00 0.00 H new ATOM 0 HD12 ILE A 648 5.933 -14.078 7.431 1.00 0.00 H new ATOM 0 HD13 ILE A 648 7.553 -14.634 6.948 1.00 0.00 H new ATOM 1141 N LEU A 649 5.899 -15.188 1.933 1.00 0.00 N ATOM 1142 CA LEU A 649 5.115 -15.588 0.767 1.00 0.00 C ATOM 1143 C LEU A 649 5.668 -16.845 0.069 1.00 0.00 C ATOM 1144 O LEU A 649 4.913 -17.539 -0.614 1.00 0.00 O ATOM 1145 CB LEU A 649 4.975 -14.412 -0.207 1.00 0.00 C ATOM 1146 CG LEU A 649 3.952 -13.356 0.237 1.00 0.00 C ATOM 1147 CD1 LEU A 649 4.594 -12.209 1.017 1.00 0.00 C ATOM 1148 CD2 LEU A 649 3.243 -12.780 -0.991 1.00 0.00 C ATOM 0 H LEU A 649 6.393 -14.303 1.822 1.00 0.00 H new ATOM 0 HA LEU A 649 4.123 -15.865 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 649 5.947 -13.934 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 649 4.686 -14.796 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 649 3.244 -13.856 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 649 3.826 -11.491 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 649 5.078 -12.603 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 649 5.336 -11.714 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 649 2.517 -12.031 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 649 3.977 -12.318 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 649 2.729 -13.580 -1.523 1.00 0.00 H new ATOM 1160 N LYS A 650 6.952 -17.168 0.250 1.00 0.00 N ATOM 1161 CA LYS A 650 7.550 -18.413 -0.270 1.00 0.00 C ATOM 1162 C LYS A 650 7.030 -19.603 0.523 1.00 0.00 C ATOM 1163 O LYS A 650 6.674 -20.636 -0.035 1.00 0.00 O ATOM 1164 CB LYS A 650 9.097 -18.395 -0.243 1.00 0.00 C ATOM 1165 CG LYS A 650 9.703 -17.588 -1.399 1.00 0.00 C ATOM 1166 CD LYS A 650 11.206 -17.301 -1.308 1.00 0.00 C ATOM 1167 CE LYS A 650 12.084 -18.552 -1.365 1.00 0.00 C ATOM 1168 NZ LYS A 650 13.530 -18.233 -1.269 1.00 0.00 N ATOM 0 H LYS A 650 7.610 -16.578 0.760 1.00 0.00 H new ATOM 0 HA LYS A 650 7.253 -18.499 -1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 650 9.434 -17.974 0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 650 9.468 -19.419 -0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 650 9.512 -18.124 -2.328 1.00 0.00 H new ATOM 0 HG3 LYS A 650 9.176 -16.636 -1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 650 11.488 -16.635 -2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 650 11.408 -16.770 -0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 650 11.808 -19.224 -0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 650 11.893 -19.084 -2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 14.076 -19.115 -1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 13.828 -17.714 -2.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 13.701 -17.646 -0.427 1.00 0.00 H new ATOM 1182 N ASP A 651 6.956 -19.410 1.831 1.00 0.00 N ATOM 1183 CA ASP A 651 6.541 -20.388 2.840 1.00 0.00 C ATOM 1184 C ASP A 651 5.069 -20.727 2.646 1.00 0.00 C ATOM 1185 O ASP A 651 4.662 -21.884 2.687 1.00 0.00 O ATOM 1186 CB ASP A 651 6.763 -19.812 4.245 1.00 0.00 C ATOM 1187 CG ASP A 651 6.674 -20.895 5.318 1.00 0.00 C ATOM 1188 OD1 ASP A 651 7.600 -21.735 5.349 1.00 0.00 O ATOM 1189 OD2 ASP A 651 5.704 -20.843 6.105 1.00 0.00 O ATOM 0 H ASP A 651 7.198 -18.511 2.248 1.00 0.00 H new ATOM 0 HA ASP A 651 7.136 -21.294 2.730 1.00 0.00 H new ATOM 0 HB2 ASP A 651 7.741 -19.332 4.292 1.00 0.00 H new ATOM 0 HB3 ASP A 651 6.020 -19.040 4.444 1.00 0.00 H new ATOM 1194 N LYS A 652 4.285 -19.691 2.336 1.00 0.00 N ATOM 1195 CA LYS A 652 2.881 -19.796 1.954 1.00 0.00 C ATOM 1196 C LYS A 652 2.686 -20.459 0.588 1.00 0.00 C ATOM 1197 O LYS A 652 1.543 -20.720 0.221 1.00 0.00 O ATOM 1198 CB LYS A 652 2.282 -18.383 1.953 1.00 0.00 C ATOM 1199 CG LYS A 652 1.992 -17.893 3.381 1.00 0.00 C ATOM 1200 CD LYS A 652 2.317 -16.407 3.587 1.00 0.00 C ATOM 1201 CE LYS A 652 1.217 -15.727 4.417 1.00 0.00 C ATOM 1202 NZ LYS A 652 1.470 -14.285 4.638 1.00 0.00 N ATOM 0 H LYS A 652 4.623 -18.729 2.345 1.00 0.00 H new ATOM 0 HA LYS A 652 2.373 -20.436 2.675 1.00 0.00 H new ATOM 0 HB2 LYS A 652 2.971 -17.695 1.464 1.00 0.00 H new ATOM 0 HB3 LYS A 652 1.360 -18.378 1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 652 0.940 -18.064 3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 652 2.573 -18.487 4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 652 3.278 -16.305 4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 652 2.411 -15.912 2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 652 0.259 -15.849 3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 652 1.134 -16.228 5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 0.564 -13.777 4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 1.990 -14.156 5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 2.035 -13.907 3.851 1.00 0.00 H new ATOM 1216 N GLY A 653 3.755 -20.695 -0.184 1.00 0.00 N ATOM 1217 CA GLY A 653 3.651 -21.180 -1.554 1.00 0.00 C ATOM 1218 C GLY A 653 2.944 -20.178 -2.469 1.00 0.00 C ATOM 1219 O GLY A 653 2.400 -20.577 -3.495 1.00 0.00 O ATOM 0 H GLY A 653 4.715 -20.553 0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 653 4.649 -21.383 -1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 653 3.107 -22.125 -1.563 1.00 0.00 H new ATOM 1223 N ALA A 654 2.921 -18.891 -2.096 1.00 0.00 N ATOM 1224 CA ALA A 654 2.365 -17.824 -2.911 1.00 0.00 C ATOM 1225 C ALA A 654 3.395 -17.349 -3.937 1.00 0.00 C ATOM 1226 O ALA A 654 3.022 -16.979 -5.052 1.00 0.00 O ATOM 1227 CB ALA A 654 1.930 -16.671 -1.998 1.00 0.00 C ATOM 0 H ALA A 654 3.296 -18.566 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 654 1.497 -18.193 -3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.512 -15.866 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 654 1.176 -17.027 -1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 654 2.793 -16.299 -1.446 1.00 0.00 H new ATOM 1233 N ILE A 655 4.688 -17.366 -3.584 1.00 0.00 N ATOM 1234 CA ILE A 655 5.761 -16.988 -4.495 1.00 0.00 C ATOM 1235 C ILE A 655 6.859 -18.038 -4.434 1.00 0.00 C ATOM 1236 O ILE A 655 6.831 -18.955 -3.611 1.00 0.00 O ATOM 1237 CB ILE A 655 6.302 -15.578 -4.191 1.00 0.00 C ATOM 1238 CG1 ILE A 655 7.048 -15.521 -2.852 1.00 0.00 C ATOM 1239 CG2 ILE A 655 5.155 -14.572 -4.248 1.00 0.00 C ATOM 1240 CD1 ILE A 655 7.893 -14.261 -2.684 1.00 0.00 C ATOM 0 H ILE A 655 5.012 -17.643 -2.658 1.00 0.00 H new ATOM 0 HA ILE A 655 5.364 -16.947 -5.510 1.00 0.00 H new ATOM 0 HB ILE A 655 7.037 -15.317 -4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 655 6.325 -15.576 -2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 655 7.692 -16.396 -2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 655 5.536 -13.574 -4.033 1.00 0.00 H new ATOM 0 HG22 ILE A 655 4.709 -14.584 -5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 655 4.400 -14.839 -3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 655 8.393 -14.285 -1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 655 8.639 -14.215 -3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 655 7.251 -13.382 -2.739 1.00 0.00 H new ATOM 1252 N PHE A 656 7.848 -17.869 -5.301 1.00 0.00 N ATOM 1253 CA PHE A 656 9.013 -18.709 -5.359 1.00 0.00 C ATOM 1254 C PHE A 656 10.178 -17.960 -5.988 1.00 0.00 C ATOM 1255 O PHE A 656 10.036 -16.818 -6.424 1.00 0.00 O ATOM 1256 CB PHE A 656 8.667 -19.983 -6.126 1.00 0.00 C ATOM 1257 CG PHE A 656 9.489 -21.147 -5.637 1.00 0.00 C ATOM 1258 CD1 PHE A 656 9.241 -21.674 -4.355 1.00 0.00 C ATOM 1259 CD2 PHE A 656 10.561 -21.618 -6.412 1.00 0.00 C ATOM 1260 CE1 PHE A 656 10.069 -22.695 -3.856 1.00 0.00 C ATOM 1261 CE2 PHE A 656 11.392 -22.633 -5.907 1.00 0.00 C ATOM 1262 CZ PHE A 656 11.144 -23.174 -4.631 1.00 0.00 C ATOM 0 H PHE A 656 7.852 -17.123 -5.996 1.00 0.00 H new ATOM 0 HA PHE A 656 9.325 -18.988 -4.352 1.00 0.00 H new ATOM 0 HB2 PHE A 656 7.607 -20.207 -6.008 1.00 0.00 H new ATOM 0 HB3 PHE A 656 8.844 -19.830 -7.191 1.00 0.00 H new ATOM 0 HD1 PHE A 656 8.422 -21.297 -3.760 1.00 0.00 H new ATOM 0 HD2 PHE A 656 10.746 -21.202 -7.391 1.00 0.00 H new ATOM 0 HE1 PHE A 656 9.881 -23.112 -2.878 1.00 0.00 H new ATOM 0 HE2 PHE A 656 12.220 -22.997 -6.497 1.00 0.00 H new ATOM 0 HZ PHE A 656 11.779 -23.958 -4.245 1.00 0.00 H new ATOM 1272 N GLU A 657 11.327 -18.631 -6.024 1.00 0.00 N ATOM 1273 CA GLU A 657 12.607 -18.096 -6.434 1.00 0.00 C ATOM 1274 C GLU A 657 13.187 -19.009 -7.529 1.00 0.00 C ATOM 1275 O GLU A 657 13.951 -19.923 -7.218 1.00 0.00 O ATOM 1276 CB GLU A 657 13.469 -17.957 -5.168 1.00 0.00 C ATOM 1277 CG GLU A 657 14.808 -17.271 -5.452 1.00 0.00 C ATOM 1278 CD GLU A 657 15.617 -16.913 -4.205 1.00 0.00 C ATOM 1279 OE1 GLU A 657 15.102 -17.134 -3.079 1.00 0.00 O ATOM 1280 OE2 GLU A 657 16.752 -16.416 -4.408 1.00 0.00 O ATOM 0 H GLU A 657 11.385 -19.612 -5.752 1.00 0.00 H new ATOM 0 HA GLU A 657 12.547 -17.105 -6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 657 12.922 -17.385 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 657 13.651 -18.945 -4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 657 15.409 -17.925 -6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 657 14.621 -16.361 -6.022 1.00 0.00 H new ATOM 1287 N PRO A 658 12.801 -18.825 -8.810 1.00 0.00 N ATOM 1288 CA PRO A 658 13.298 -19.621 -9.935 1.00 0.00 C ATOM 1289 C PRO A 658 14.805 -19.484 -10.162 1.00 0.00 C ATOM 1290 O PRO A 658 15.420 -20.394 -10.715 1.00 0.00 O ATOM 1291 CB PRO A 658 12.544 -19.143 -11.178 1.00 0.00 C ATOM 1292 CG PRO A 658 11.981 -17.792 -10.766 1.00 0.00 C ATOM 1293 CD PRO A 658 11.733 -17.960 -9.275 1.00 0.00 C ATOM 0 HA PRO A 658 13.127 -20.676 -9.720 1.00 0.00 H new ATOM 0 HB2 PRO A 658 13.207 -19.054 -12.038 1.00 0.00 H new ATOM 0 HB3 PRO A 658 11.752 -19.838 -11.457 1.00 0.00 H new ATOM 0 HG2 PRO A 658 12.684 -16.984 -10.969 1.00 0.00 H new ATOM 0 HG3 PRO A 658 11.062 -17.558 -11.303 1.00 0.00 H new ATOM 0 HD2 PRO A 658 11.752 -16.999 -8.761 1.00 0.00 H new ATOM 0 HD3 PRO A 658 10.756 -18.403 -9.085 1.00 0.00 H new ATOM 1301 N ALA A 659 15.401 -18.360 -9.750 1.00 0.00 N ATOM 1302 CA ALA A 659 16.840 -18.168 -9.728 1.00 0.00 C ATOM 1303 C ALA A 659 17.213 -17.397 -8.485 1.00 0.00 C ATOM 1304 O ALA A 659 16.385 -16.663 -7.952 1.00 0.00 O ATOM 1305 CB ALA A 659 17.302 -17.339 -10.921 1.00 0.00 C ATOM 0 H ALA A 659 14.880 -17.548 -9.418 1.00 0.00 H new ATOM 0 HA ALA A 659 17.310 -19.151 -9.755 1.00 0.00 H new ATOM 0 HB1 ALA A 659 18.384 -17.211 -10.878 1.00 0.00 H new ATOM 0 HB2 ALA A 659 17.033 -17.850 -11.845 1.00 0.00 H new ATOM 0 HB3 ALA A 659 16.820 -16.362 -10.894 1.00 0.00 H new ATOM 1311 N ARG A 660 18.493 -17.471 -8.119 1.00 0.00 N ATOM 1312 CA ARG A 660 19.056 -16.732 -7.003 1.00 0.00 C ATOM 1313 C ARG A 660 18.794 -15.253 -7.215 1.00 0.00 C ATOM 1314 O ARG A 660 19.358 -14.614 -8.102 1.00 0.00 O ATOM 1315 CB ARG A 660 20.541 -17.047 -6.825 1.00 0.00 C ATOM 1316 CG ARG A 660 20.662 -18.407 -6.127 1.00 0.00 C ATOM 1317 CD ARG A 660 22.002 -19.077 -6.448 1.00 0.00 C ATOM 1318 NE ARG A 660 22.062 -20.445 -5.906 1.00 0.00 N ATOM 1319 CZ ARG A 660 23.000 -21.362 -6.185 1.00 0.00 C ATOM 1320 NH1 ARG A 660 24.029 -21.065 -6.981 1.00 0.00 N ATOM 1321 NH2 ARG A 660 22.904 -22.586 -5.664 1.00 0.00 N ATOM 0 H ARG A 660 19.174 -18.058 -8.602 1.00 0.00 H new ATOM 0 HA ARG A 660 18.574 -17.037 -6.074 1.00 0.00 H new ATOM 0 HB2 ARG A 660 21.043 -17.070 -7.792 1.00 0.00 H new ATOM 0 HB3 ARG A 660 21.026 -16.271 -6.232 1.00 0.00 H new ATOM 0 HG2 ARG A 660 20.567 -18.275 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 660 19.844 -19.055 -6.442 1.00 0.00 H new ATOM 0 HD2 ARG A 660 22.147 -19.105 -7.528 1.00 0.00 H new ATOM 0 HD3 ARG A 660 22.816 -18.483 -6.032 1.00 0.00 H new ATOM 0 HE ARG A 660 21.323 -20.720 -5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 660 24.109 -20.132 -7.385 1.00 0.00 H new ATOM 0 HH12 ARG A 660 24.736 -21.771 -7.186 1.00 0.00 H new ATOM 0 HH21 ARG A 660 22.119 -22.821 -5.056 1.00 0.00 H new ATOM 0 HH22 ARG A 660 23.615 -23.287 -5.873 1.00 0.00 H new ATOM 1335 N GLY A 661 17.876 -14.759 -6.402 1.00 0.00 N ATOM 1336 CA GLY A 661 17.415 -13.392 -6.383 1.00 0.00 C ATOM 1337 C GLY A 661 16.495 -12.943 -7.513 1.00 0.00 C ATOM 1338 O GLY A 661 16.324 -11.739 -7.709 1.00 0.00 O ATOM 0 H GLY A 661 17.411 -15.337 -5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 661 16.895 -13.226 -5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 661 18.290 -12.742 -6.383 1.00 0.00 H new ATOM 1342 N TYR A 662 15.815 -13.869 -8.181 1.00 0.00 N ATOM 1343 CA TYR A 662 14.715 -13.604 -9.102 1.00 0.00 C ATOM 1344 C TYR A 662 13.505 -14.265 -8.452 1.00 0.00 C ATOM 1345 O TYR A 662 13.498 -15.484 -8.296 1.00 0.00 O ATOM 1346 CB TYR A 662 15.101 -14.241 -10.445 1.00 0.00 C ATOM 1347 CG TYR A 662 14.087 -14.615 -11.512 1.00 0.00 C ATOM 1348 CD1 TYR A 662 12.712 -14.340 -11.401 1.00 0.00 C ATOM 1349 CD2 TYR A 662 14.546 -15.370 -12.609 1.00 0.00 C ATOM 1350 CE1 TYR A 662 11.801 -14.868 -12.327 1.00 0.00 C ATOM 1351 CE2 TYR A 662 13.649 -15.843 -13.582 1.00 0.00 C ATOM 1352 CZ TYR A 662 12.267 -15.594 -13.443 1.00 0.00 C ATOM 1353 OH TYR A 662 11.395 -15.982 -14.409 1.00 0.00 O ATOM 0 H TYR A 662 16.023 -14.864 -8.092 1.00 0.00 H new ATOM 0 HA TYR A 662 14.499 -12.552 -9.289 1.00 0.00 H new ATOM 0 HB2 TYR A 662 15.808 -13.559 -10.917 1.00 0.00 H new ATOM 0 HB3 TYR A 662 15.648 -15.153 -10.207 1.00 0.00 H new ATOM 0 HD1 TYR A 662 12.355 -13.716 -10.595 1.00 0.00 H new ATOM 0 HD2 TYR A 662 15.600 -15.588 -12.703 1.00 0.00 H new ATOM 0 HE1 TYR A 662 10.741 -14.719 -12.186 1.00 0.00 H new ATOM 0 HE2 TYR A 662 14.016 -16.396 -14.434 1.00 0.00 H new ATOM 0 HH TYR A 662 10.585 -15.433 -14.358 1.00 0.00 H new ATOM 1363 N LEU A 663 12.491 -13.475 -8.085 1.00 0.00 N ATOM 1364 CA LEU A 663 11.224 -13.977 -7.570 1.00 0.00 C ATOM 1365 C LEU A 663 10.155 -14.059 -8.660 1.00 0.00 C ATOM 1366 O LEU A 663 10.189 -13.341 -9.664 1.00 0.00 O ATOM 1367 CB LEU A 663 10.735 -13.104 -6.403 1.00 0.00 C ATOM 1368 CG LEU A 663 11.599 -13.216 -5.137 1.00 0.00 C ATOM 1369 CD1 LEU A 663 11.023 -12.287 -4.066 1.00 0.00 C ATOM 1370 CD2 LEU A 663 11.694 -14.644 -4.579 1.00 0.00 C ATOM 0 H LEU A 663 12.533 -12.457 -8.140 1.00 0.00 H new ATOM 0 HA LEU A 663 11.398 -14.990 -7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 663 10.713 -12.063 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 663 9.710 -13.383 -6.158 1.00 0.00 H new ATOM 0 HG LEU A 663 12.613 -12.927 -5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 663 11.627 -12.356 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 663 11.033 -11.260 -4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 663 9.998 -12.582 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 663 12.319 -14.645 -3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 663 10.697 -15.002 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 663 12.133 -15.300 -5.331 1.00 0.00 H new ATOM 1382 N LYS A 664 9.192 -14.946 -8.409 1.00 0.00 N ATOM 1383 CA LYS A 664 8.076 -15.325 -9.262 1.00 0.00 C ATOM 1384 C LYS A 664 6.869 -15.525 -8.368 1.00 0.00 C ATOM 1385 O LYS A 664 7.002 -16.148 -7.314 1.00 0.00 O ATOM 1386 CB LYS A 664 8.471 -16.625 -9.999 1.00 0.00 C ATOM 1387 CG LYS A 664 7.293 -17.514 -10.411 1.00 0.00 C ATOM 1388 CD LYS A 664 7.670 -18.874 -11.016 1.00 0.00 C ATOM 1389 CE LYS A 664 6.449 -19.822 -11.004 1.00 0.00 C ATOM 1390 NZ LYS A 664 5.194 -19.210 -11.507 1.00 0.00 N ATOM 0 H LYS A 664 9.176 -15.459 -7.527 1.00 0.00 H new ATOM 0 HA LYS A 664 7.835 -14.566 -10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 664 9.039 -16.362 -10.891 1.00 0.00 H new ATOM 0 HB3 LYS A 664 9.136 -17.202 -9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 664 6.667 -17.687 -9.535 1.00 0.00 H new ATOM 0 HG3 LYS A 664 6.686 -16.970 -11.135 1.00 0.00 H new ATOM 0 HD2 LYS A 664 8.025 -18.740 -12.038 1.00 0.00 H new ATOM 0 HD3 LYS A 664 8.489 -19.317 -10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 664 6.679 -20.699 -11.609 1.00 0.00 H new ATOM 0 HE3 LYS A 664 6.286 -20.172 -9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 664 4.390 -19.830 -11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 664 5.054 -18.283 -11.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 664 5.257 -19.087 -12.538 1.00 0.00 H new ATOM 1404 N ILE A 665 5.694 -15.081 -8.811 1.00 0.00 N ATOM 1405 CA ILE A 665 4.437 -15.523 -8.217 1.00 0.00 C ATOM 1406 C ILE A 665 4.171 -16.952 -8.692 1.00 0.00 C ATOM 1407 O ILE A 665 4.328 -17.219 -9.885 1.00 0.00 O ATOM 1408 CB ILE A 665 3.268 -14.574 -8.562 1.00 0.00 C ATOM 1409 CG1 ILE A 665 3.636 -13.138 -8.144 1.00 0.00 C ATOM 1410 CG2 ILE A 665 1.975 -15.047 -7.872 1.00 0.00 C ATOM 1411 CD1 ILE A 665 2.593 -12.064 -8.449 1.00 0.00 C ATOM 0 H ILE A 665 5.588 -14.417 -9.578 1.00 0.00 H new ATOM 0 HA ILE A 665 4.517 -15.503 -7.130 1.00 0.00 H new ATOM 0 HB ILE A 665 3.090 -14.586 -9.637 1.00 0.00 H new ATOM 0 HG12 ILE A 665 3.832 -13.132 -7.072 1.00 0.00 H new ATOM 0 HG13 ILE A 665 4.567 -12.864 -8.640 1.00 0.00 H new ATOM 0 HG21 ILE A 665 1.159 -14.369 -8.124 1.00 0.00 H new ATOM 0 HG22 ILE A 665 1.729 -16.053 -8.211 1.00 0.00 H new ATOM 0 HG23 ILE A 665 2.121 -15.054 -6.792 1.00 0.00 H new ATOM 0 HD11 ILE A 665 2.960 -11.095 -8.111 1.00 0.00 H new ATOM 0 HD12 ILE A 665 2.410 -12.029 -9.523 1.00 0.00 H new ATOM 0 HD13 ILE A 665 1.664 -12.301 -7.930 1.00 0.00 H new ATOM 1423 N VAL A 666 3.815 -17.867 -7.777 1.00 0.00 N ATOM 1424 CA VAL A 666 3.616 -19.283 -8.108 1.00 0.00 C ATOM 1425 C VAL A 666 2.599 -19.440 -9.240 1.00 0.00 C ATOM 1426 O VAL A 666 3.017 -20.035 -10.265 1.00 0.00 O ATOM 1427 CB VAL A 666 3.284 -20.099 -6.838 1.00 0.00 C ATOM 1428 CG1 VAL A 666 2.727 -21.503 -7.120 1.00 0.00 C ATOM 1429 CG2 VAL A 666 4.576 -20.271 -6.025 1.00 0.00 C ATOM 1430 OXT VAL A 666 1.462 -18.950 -9.082 1.00 0.00 O ATOM 0 H VAL A 666 3.658 -17.646 -6.794 1.00 0.00 H new ATOM 0 HA VAL A 666 4.546 -19.701 -8.492 1.00 0.00 H new ATOM 0 HB VAL A 666 2.511 -19.544 -6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 666 2.520 -22.009 -6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 666 1.806 -21.420 -7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 666 3.459 -22.078 -7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 666 4.364 -20.845 -5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 666 5.316 -20.799 -6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 666 4.965 -19.291 -5.749 1.00 0.00 H new