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+ 171:sc= 0 (180deg=-0.0503) USER MOD Single : A 612 LYS NZ :NH3+ 174:sc= 1.03 (180deg=0.921) USER MOD Single : A 614 TYR OH : rot -175:sc= 0.0414 USER MOD Single : A 618 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 THR OG1 : rot 166:sc= 1.01 USER MOD Single : A 625 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 629 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 631 MET CE :methyl 151:sc= -0.384 (180deg=-0.62) USER MOD Single : A 632 MET CE :methyl 156:sc= -0.254 (180deg=-1.57) USER MOD Single : A 635 TYR OH : rot 180:sc= 0 USER MOD Single : A 636 ASN : amide:sc= 0.813 K(o=0.81,f=-0.021) USER MOD Single : A 638 SER OG : rot 180:sc= 0.00161 USER MOD Single : A 641 LYS NZ :NH3+ 164:sc= 2.48 (180deg=2.4) USER MOD Single : A 650 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.19) USER MOD Single : A 652 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 662 TYR OH : rot 37:sc= 1.3 USER MOD Single : A 664 LYS NZ :NH3+ 180:sc= -0.211! (180deg=-0.211!) USER MOD ----------------------------------------------------------------- ATOM 324 N ARG A 601 -3.747 -1.627 2.221 1.00 0.00 N ATOM 325 CA ARG A 601 -2.606 -2.468 1.878 1.00 0.00 C ATOM 326 C ARG A 601 -1.913 -3.021 3.128 1.00 0.00 C ATOM 327 O ARG A 601 -2.190 -2.633 4.261 1.00 0.00 O ATOM 328 CB ARG A 601 -1.613 -1.726 0.963 1.00 0.00 C ATOM 329 CG ARG A 601 -2.093 -1.666 -0.497 1.00 0.00 C ATOM 330 CD ARG A 601 -0.882 -1.684 -1.437 1.00 0.00 C ATOM 331 NE ARG A 601 -1.273 -1.663 -2.851 1.00 0.00 N ATOM 332 CZ ARG A 601 -1.453 -0.624 -3.672 1.00 0.00 C ATOM 333 NH1 ARG A 601 -1.360 0.635 -3.242 1.00 0.00 N ATOM 334 NH2 ARG A 601 -1.732 -0.892 -4.943 1.00 0.00 N ATOM 0 HA ARG A 601 -2.990 -3.321 1.319 1.00 0.00 H new ATOM 0 HB2 ARG A 601 -1.467 -0.712 1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 601 -0.644 -2.224 1.004 1.00 0.00 H new ATOM 0 HG2 ARG A 601 -2.745 -2.513 -0.711 1.00 0.00 H new ATOM 0 HG3 ARG A 601 -2.680 -0.762 -0.661 1.00 0.00 H new ATOM 0 HD2 ARG A 601 -0.248 -0.823 -1.225 1.00 0.00 H new ATOM 0 HD3 ARG A 601 -0.286 -2.575 -1.241 1.00 0.00 H new ATOM 0 HE ARG A 601 -1.431 -2.579 -3.270 1.00 0.00 H new ATOM 0 HH11 ARG A 601 -1.146 0.825 -2.263 1.00 0.00 H new ATOM 0 HH12 ARG A 601 -1.503 1.408 -3.892 1.00 0.00 H new ATOM 0 HH21 ARG A 601 -1.801 -1.860 -5.257 1.00 0.00 H new ATOM 0 HH22 ARG A 601 -1.877 -0.130 -5.605 1.00 0.00 H new ATOM 348 N ASP A 602 -0.983 -3.941 2.880 1.00 0.00 N ATOM 349 CA ASP A 602 -0.344 -4.825 3.838 1.00 0.00 C ATOM 350 C ASP A 602 1.076 -5.072 3.360 1.00 0.00 C ATOM 351 O ASP A 602 1.299 -5.071 2.154 1.00 0.00 O ATOM 352 CB ASP A 602 -1.131 -6.135 3.805 1.00 0.00 C ATOM 353 CG ASP A 602 -0.521 -7.291 4.592 1.00 0.00 C ATOM 354 OD1 ASP A 602 0.292 -7.044 5.511 1.00 0.00 O ATOM 355 OD2 ASP A 602 -0.835 -8.432 4.181 1.00 0.00 O ATOM 0 H ASP A 602 -0.635 -4.095 1.934 1.00 0.00 H new ATOM 0 HA ASP A 602 -0.324 -4.410 4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 602 -2.133 -5.946 4.190 1.00 0.00 H new ATOM 0 HB3 ASP A 602 -1.242 -6.445 2.766 1.00 0.00 H new ATOM 360 N LYS A 603 2.020 -5.356 4.260 1.00 0.00 N ATOM 361 CA LYS A 603 3.423 -5.570 3.907 1.00 0.00 C ATOM 362 C LYS A 603 3.540 -6.668 2.851 1.00 0.00 C ATOM 363 O LYS A 603 4.233 -6.497 1.848 1.00 0.00 O ATOM 364 CB LYS A 603 4.258 -5.948 5.139 1.00 0.00 C ATOM 365 CG LYS A 603 4.083 -5.063 6.379 1.00 0.00 C ATOM 366 CD LYS A 603 5.092 -5.498 7.457 1.00 0.00 C ATOM 367 CE LYS A 603 4.760 -4.920 8.837 1.00 0.00 C ATOM 368 NZ LYS A 603 3.570 -5.568 9.433 1.00 0.00 N ATOM 0 H LYS A 603 1.831 -5.444 5.258 1.00 0.00 H new ATOM 0 HA LYS A 603 3.811 -4.634 3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 603 4.015 -6.974 5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 603 5.310 -5.935 4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 603 4.239 -4.016 6.119 1.00 0.00 H new ATOM 0 HG3 LYS A 603 3.066 -5.148 6.761 1.00 0.00 H new ATOM 0 HD2 LYS A 603 5.109 -6.586 7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 603 6.092 -5.179 7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 603 5.615 -5.050 9.501 1.00 0.00 H new ATOM 0 HE3 LYS A 603 4.584 -3.848 8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 3.467 -5.262 10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 2.722 -5.297 8.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 3.684 -6.601 9.400 1.00 0.00 H new ATOM 382 N PHE A 604 2.816 -7.774 3.057 1.00 0.00 N ATOM 383 CA PHE A 604 2.801 -8.895 2.131 1.00 0.00 C ATOM 384 C PHE A 604 2.311 -8.454 0.751 1.00 0.00 C ATOM 385 O PHE A 604 2.893 -8.832 -0.265 1.00 0.00 O ATOM 386 CB PHE A 604 1.919 -10.018 2.709 1.00 0.00 C ATOM 387 CG PHE A 604 2.288 -10.483 4.112 1.00 0.00 C ATOM 388 CD1 PHE A 604 3.636 -10.630 4.498 1.00 0.00 C ATOM 389 CD2 PHE A 604 1.274 -10.737 5.057 1.00 0.00 C ATOM 390 CE1 PHE A 604 3.961 -10.978 5.819 1.00 0.00 C ATOM 391 CE2 PHE A 604 1.601 -11.111 6.373 1.00 0.00 C ATOM 392 CZ PHE A 604 2.946 -11.224 6.758 1.00 0.00 C ATOM 0 H PHE A 604 2.224 -7.910 3.876 1.00 0.00 H new ATOM 0 HA PHE A 604 3.815 -9.274 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 604 0.884 -9.675 2.719 1.00 0.00 H new ATOM 0 HB3 PHE A 604 1.965 -10.875 2.037 1.00 0.00 H new ATOM 0 HD1 PHE A 604 4.422 -10.474 3.774 1.00 0.00 H new ATOM 0 HD2 PHE A 604 0.237 -10.644 4.769 1.00 0.00 H new ATOM 0 HE1 PHE A 604 4.997 -11.057 6.114 1.00 0.00 H new ATOM 0 HE2 PHE A 604 0.817 -11.311 7.088 1.00 0.00 H new ATOM 0 HZ PHE A 604 3.199 -11.499 7.771 1.00 0.00 H new ATOM 402 N ARG A 605 1.261 -7.626 0.717 1.00 0.00 N ATOM 403 CA ARG A 605 0.702 -7.083 -0.510 1.00 0.00 C ATOM 404 C ARG A 605 1.672 -6.087 -1.150 1.00 0.00 C ATOM 405 O ARG A 605 1.887 -6.188 -2.350 1.00 0.00 O ATOM 406 CB ARG A 605 -0.698 -6.487 -0.251 1.00 0.00 C ATOM 407 CG ARG A 605 -1.802 -7.562 -0.259 1.00 0.00 C ATOM 408 CD ARG A 605 -1.999 -8.265 1.093 1.00 0.00 C ATOM 409 NE ARG A 605 -2.745 -9.523 0.958 1.00 0.00 N ATOM 410 CZ ARG A 605 -3.001 -10.395 1.946 1.00 0.00 C ATOM 411 NH1 ARG A 605 -2.508 -10.237 3.176 1.00 0.00 N ATOM 412 NH2 ARG A 605 -3.774 -11.452 1.693 1.00 0.00 N ATOM 0 H ARG A 605 0.774 -7.314 1.557 1.00 0.00 H new ATOM 0 HA ARG A 605 0.567 -7.889 -1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -0.700 -5.975 0.711 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -0.918 -5.738 -1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.743 -7.100 -0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -1.561 -8.310 -1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -1.026 -8.467 1.541 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -2.531 -7.600 1.773 1.00 0.00 H new ATOM 0 HE ARG A 605 -3.100 -9.755 0.030 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -1.916 -9.434 3.389 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -2.723 -10.919 3.903 1.00 0.00 H new ATOM 0 HH21 ARG A 605 -4.161 -11.589 0.759 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -3.978 -12.124 2.433 1.00 0.00 H new ATOM 426 N LEU A 606 2.298 -5.185 -0.383 1.00 0.00 N ATOM 427 CA LEU A 606 3.270 -4.207 -0.848 1.00 0.00 C ATOM 428 C LEU A 606 4.408 -4.926 -1.565 1.00 0.00 C ATOM 429 O LEU A 606 4.765 -4.531 -2.675 1.00 0.00 O ATOM 430 CB LEU A 606 3.806 -3.359 0.327 1.00 0.00 C ATOM 431 CG LEU A 606 2.803 -2.395 1.002 1.00 0.00 C ATOM 432 CD1 LEU A 606 3.470 -1.717 2.204 1.00 0.00 C ATOM 433 CD2 LEU A 606 2.325 -1.315 0.030 1.00 0.00 C ATOM 0 H LEU A 606 2.128 -5.120 0.621 1.00 0.00 H new ATOM 0 HA LEU A 606 2.783 -3.526 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 606 4.191 -4.037 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 606 4.651 -2.773 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 606 1.942 -2.981 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 606 2.761 -1.038 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 606 3.782 -2.475 2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 606 4.341 -1.155 1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 606 1.621 -0.655 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 606 3.180 -0.735 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 606 1.833 -1.784 -0.822 1.00 0.00 H new ATOM 445 N LEU A 607 4.936 -6.005 -0.964 1.00 0.00 N ATOM 446 CA LEU A 607 5.956 -6.798 -1.630 1.00 0.00 C ATOM 447 C LEU A 607 5.385 -7.440 -2.905 1.00 0.00 C ATOM 448 O LEU A 607 5.948 -7.265 -3.983 1.00 0.00 O ATOM 449 CB LEU A 607 6.594 -7.837 -0.682 1.00 0.00 C ATOM 450 CG LEU A 607 7.725 -8.649 -1.354 1.00 0.00 C ATOM 451 CD1 LEU A 607 9.090 -8.068 -0.988 1.00 0.00 C ATOM 452 CD2 LEU A 607 7.678 -10.126 -0.939 1.00 0.00 C ATOM 0 H LEU A 607 4.673 -6.336 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 607 6.765 -6.130 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 607 6.992 -7.326 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 607 5.823 -8.521 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 607 7.575 -8.584 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 607 9.875 -8.652 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 607 9.148 -7.033 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 607 9.223 -8.104 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 607 8.487 -10.668 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 607 7.792 -10.204 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 607 6.721 -10.557 -1.235 1.00 0.00 H new ATOM 464 N LEU A 608 4.277 -8.185 -2.797 1.00 0.00 N ATOM 465 CA LEU A 608 3.708 -8.970 -3.886 1.00 0.00 C ATOM 466 C LEU A 608 3.334 -8.105 -5.093 1.00 0.00 C ATOM 467 O LEU A 608 3.522 -8.528 -6.234 1.00 0.00 O ATOM 468 CB LEU A 608 2.488 -9.719 -3.332 1.00 0.00 C ATOM 469 CG LEU A 608 1.767 -10.612 -4.352 1.00 0.00 C ATOM 470 CD1 LEU A 608 2.666 -11.735 -4.884 1.00 0.00 C ATOM 471 CD2 LEU A 608 0.523 -11.228 -3.700 1.00 0.00 C ATOM 0 H LEU A 608 3.745 -8.256 -1.930 1.00 0.00 H new ATOM 0 HA LEU A 608 4.453 -9.676 -4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 608 2.808 -10.335 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 608 1.778 -8.990 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 608 1.488 -9.983 -5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 608 2.109 -12.338 -5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 608 3.538 -11.302 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 608 2.990 -12.365 -4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 608 0.010 -11.862 -4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 608 0.822 -11.827 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 608 -0.148 -10.433 -3.374 1.00 0.00 H new ATOM 483 N GLU A 609 2.826 -6.894 -4.856 1.00 0.00 N ATOM 484 CA GLU A 609 2.492 -5.963 -5.919 1.00 0.00 C ATOM 485 C GLU A 609 3.745 -5.585 -6.706 1.00 0.00 C ATOM 486 O GLU A 609 3.700 -5.613 -7.936 1.00 0.00 O ATOM 487 CB GLU A 609 1.802 -4.714 -5.358 1.00 0.00 C ATOM 488 CG GLU A 609 0.405 -4.988 -4.756 1.00 0.00 C ATOM 489 CD GLU A 609 -0.723 -4.235 -5.463 1.00 0.00 C ATOM 490 OE1 GLU A 609 -0.832 -4.350 -6.702 1.00 0.00 O ATOM 491 OE2 GLU A 609 -1.478 -3.522 -4.763 1.00 0.00 O ATOM 0 H GLU A 609 2.637 -6.537 -3.919 1.00 0.00 H new ATOM 0 HA GLU A 609 1.793 -6.453 -6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 609 2.438 -4.274 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 609 1.705 -3.976 -6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 609 0.202 -6.058 -4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 609 0.412 -4.710 -3.702 1.00 0.00 H new ATOM 498 N LEU A 610 4.870 -5.317 -6.030 1.00 0.00 N ATOM 499 CA LEU A 610 6.125 -5.042 -6.726 1.00 0.00 C ATOM 500 C LEU A 610 6.597 -6.266 -7.496 1.00 0.00 C ATOM 501 O LEU A 610 7.177 -6.090 -8.559 1.00 0.00 O ATOM 502 CB LEU A 610 7.237 -4.614 -5.753 1.00 0.00 C ATOM 503 CG LEU A 610 7.063 -3.237 -5.087 1.00 0.00 C ATOM 504 CD1 LEU A 610 7.961 -3.189 -3.850 1.00 0.00 C ATOM 505 CD2 LEU A 610 7.470 -2.075 -5.995 1.00 0.00 C ATOM 0 H LEU A 610 4.933 -5.286 -5.012 1.00 0.00 H new ATOM 0 HA LEU A 610 5.925 -4.223 -7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 610 7.315 -5.367 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 610 8.184 -4.617 -6.292 1.00 0.00 H new ATOM 0 HG LEU A 610 6.005 -3.124 -4.849 1.00 0.00 H new ATOM 0 HD11 LEU A 610 7.855 -2.221 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 610 7.670 -3.979 -3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 610 8.999 -3.332 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 610 7.324 -1.132 -5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 610 8.520 -2.178 -6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 610 6.857 -2.085 -6.896 1.00 0.00 H new ATOM 517 N ILE A 611 6.349 -7.490 -7.011 1.00 0.00 N ATOM 518 CA ILE A 611 6.764 -8.686 -7.743 1.00 0.00 C ATOM 519 C ILE A 611 6.072 -8.711 -9.111 1.00 0.00 C ATOM 520 O ILE A 611 6.752 -8.903 -10.115 1.00 0.00 O ATOM 521 CB ILE A 611 6.551 -9.984 -6.926 1.00 0.00 C ATOM 522 CG1 ILE A 611 7.410 -9.942 -5.647 1.00 0.00 C ATOM 523 CG2 ILE A 611 6.931 -11.237 -7.735 1.00 0.00 C ATOM 524 CD1 ILE A 611 7.209 -11.094 -4.671 1.00 0.00 C ATOM 0 H ILE A 611 5.871 -7.673 -6.129 1.00 0.00 H new ATOM 0 HA ILE A 611 7.840 -8.641 -7.911 1.00 0.00 H new ATOM 0 HB ILE A 611 5.492 -10.042 -6.675 1.00 0.00 H new ATOM 0 HG12 ILE A 611 8.460 -9.918 -5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 611 7.203 -9.008 -5.124 1.00 0.00 H new ATOM 0 HG21 ILE A 611 6.767 -12.126 -7.127 1.00 0.00 H new ATOM 0 HG22 ILE A 611 6.314 -11.292 -8.632 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.981 -11.181 -8.020 1.00 0.00 H new ATOM 0 HD11 ILE A 611 7.864 -10.960 -3.810 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.171 -11.112 -4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 611 7.448 -12.036 -5.165 1.00 0.00 H new ATOM 536 N LYS A 612 4.754 -8.489 -9.200 1.00 0.00 N ATOM 537 CA LYS A 612 4.077 -8.605 -10.501 1.00 0.00 C ATOM 538 C LYS A 612 4.392 -7.396 -11.358 1.00 0.00 C ATOM 539 O LYS A 612 4.617 -7.537 -12.559 1.00 0.00 O ATOM 540 CB LYS A 612 2.560 -8.813 -10.435 1.00 0.00 C ATOM 541 CG LYS A 612 1.838 -8.011 -9.359 1.00 0.00 C ATOM 542 CD LYS A 612 0.729 -7.158 -9.968 1.00 0.00 C ATOM 543 CE LYS A 612 0.134 -6.313 -8.852 1.00 0.00 C ATOM 544 NZ LYS A 612 0.648 -4.922 -8.798 1.00 0.00 N ATOM 0 H LYS A 612 4.151 -8.236 -8.417 1.00 0.00 H new ATOM 0 HA LYS A 612 4.473 -9.518 -10.946 1.00 0.00 H new ATOM 0 HB2 LYS A 612 2.132 -8.556 -11.404 1.00 0.00 H new ATOM 0 HB3 LYS A 612 2.362 -9.872 -10.270 1.00 0.00 H new ATOM 0 HG2 LYS A 612 1.415 -8.688 -8.617 1.00 0.00 H new ATOM 0 HG3 LYS A 612 2.550 -7.371 -8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 612 1.126 -6.522 -10.760 1.00 0.00 H new ATOM 0 HD3 LYS A 612 -0.036 -7.790 -10.420 1.00 0.00 H new ATOM 0 HE2 LYS A 612 -0.949 -6.283 -8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 612 0.335 -6.799 -7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 612 0.122 -4.385 -8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 612 1.658 -4.934 -8.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 612 0.525 -4.470 -9.727 1.00 0.00 H new ATOM 558 N GLU A 613 4.434 -6.216 -10.737 1.00 0.00 N ATOM 559 CA GLU A 613 4.623 -4.968 -11.455 1.00 0.00 C ATOM 560 C GLU A 613 6.090 -4.702 -11.803 1.00 0.00 C ATOM 561 O GLU A 613 6.410 -3.672 -12.391 1.00 0.00 O ATOM 562 CB GLU A 613 3.826 -3.859 -10.773 1.00 0.00 C ATOM 563 CG GLU A 613 4.588 -3.207 -9.626 1.00 0.00 C ATOM 564 CD GLU A 613 3.684 -2.641 -8.512 1.00 0.00 C ATOM 565 OE1 GLU A 613 2.458 -2.919 -8.529 1.00 0.00 O ATOM 566 OE2 GLU A 613 4.232 -1.970 -7.611 1.00 0.00 O ATOM 0 H GLU A 613 4.338 -6.105 -9.728 1.00 0.00 H new ATOM 0 HA GLU A 613 4.194 -5.025 -12.455 1.00 0.00 H new ATOM 0 HB2 GLU A 613 3.566 -3.099 -11.509 1.00 0.00 H new ATOM 0 HB3 GLU A 613 2.890 -4.270 -10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 613 5.267 -3.941 -9.191 1.00 0.00 H new ATOM 0 HG3 GLU A 613 5.204 -2.401 -10.025 1.00 0.00 H new ATOM 573 N TYR A 614 6.952 -5.688 -11.523 1.00 0.00 N ATOM 574 CA TYR A 614 8.276 -5.816 -12.094 1.00 0.00 C ATOM 575 C TYR A 614 8.378 -7.056 -12.963 1.00 0.00 C ATOM 576 O TYR A 614 8.991 -6.946 -14.016 1.00 0.00 O ATOM 577 CB TYR A 614 9.368 -5.772 -11.024 1.00 0.00 C ATOM 578 CG TYR A 614 9.883 -4.359 -10.833 1.00 0.00 C ATOM 579 CD1 TYR A 614 10.565 -3.738 -11.900 1.00 0.00 C ATOM 580 CD2 TYR A 614 9.609 -3.634 -9.658 1.00 0.00 C ATOM 581 CE1 TYR A 614 10.977 -2.401 -11.804 1.00 0.00 C ATOM 582 CE2 TYR A 614 10.017 -2.289 -9.555 1.00 0.00 C ATOM 583 CZ TYR A 614 10.703 -1.670 -10.627 1.00 0.00 C ATOM 584 OH TYR A 614 11.076 -0.365 -10.536 1.00 0.00 O ATOM 0 H TYR A 614 6.728 -6.438 -10.869 1.00 0.00 H new ATOM 0 HA TYR A 614 8.441 -4.952 -12.738 1.00 0.00 H new ATOM 0 HB2 TYR A 614 8.974 -6.150 -10.081 1.00 0.00 H new ATOM 0 HB3 TYR A 614 10.190 -6.427 -11.311 1.00 0.00 H new ATOM 0 HD1 TYR A 614 10.772 -4.298 -12.800 1.00 0.00 H new ATOM 0 HD2 TYR A 614 9.088 -4.107 -8.838 1.00 0.00 H new ATOM 0 HE1 TYR A 614 11.500 -1.933 -12.625 1.00 0.00 H new ATOM 0 HE2 TYR A 614 9.806 -1.729 -8.656 1.00 0.00 H new ATOM 0 HH TYR A 614 10.884 -0.032 -9.634 1.00 0.00 H new ATOM 594 N GLU A 615 7.748 -8.188 -12.616 1.00 0.00 N ATOM 595 CA GLU A 615 7.690 -9.325 -13.525 1.00 0.00 C ATOM 596 C GLU A 615 7.207 -8.866 -14.908 1.00 0.00 C ATOM 597 O GLU A 615 7.920 -9.074 -15.890 1.00 0.00 O ATOM 598 CB GLU A 615 6.894 -10.516 -12.939 1.00 0.00 C ATOM 599 CG GLU A 615 7.789 -11.495 -12.135 1.00 0.00 C ATOM 600 CD GLU A 615 7.324 -12.965 -12.074 1.00 0.00 C ATOM 601 OE1 GLU A 615 6.431 -13.289 -11.254 1.00 0.00 O ATOM 602 OE2 GLU A 615 7.962 -13.796 -12.774 1.00 0.00 O ATOM 0 H GLU A 615 7.279 -8.333 -11.722 1.00 0.00 H new ATOM 0 HA GLU A 615 8.697 -9.721 -13.655 1.00 0.00 H new ATOM 0 HB2 GLU A 615 6.104 -10.136 -12.291 1.00 0.00 H new ATOM 0 HB3 GLU A 615 6.408 -11.057 -13.750 1.00 0.00 H new ATOM 0 HG2 GLU A 615 8.790 -11.472 -12.565 1.00 0.00 H new ATOM 0 HG3 GLU A 615 7.871 -11.121 -11.114 1.00 0.00 H new ATOM 609 N ASP A 616 6.080 -8.158 -15.000 1.00 0.00 N ATOM 610 CA ASP A 616 5.524 -7.739 -16.285 1.00 0.00 C ATOM 611 C ASP A 616 6.478 -6.810 -17.040 1.00 0.00 C ATOM 612 O ASP A 616 6.623 -6.920 -18.255 1.00 0.00 O ATOM 613 CB ASP A 616 4.163 -7.076 -16.046 1.00 0.00 C ATOM 614 CG ASP A 616 3.432 -6.784 -17.357 1.00 0.00 C ATOM 615 OD1 ASP A 616 3.080 -7.773 -18.040 1.00 0.00 O ATOM 616 OD2 ASP A 616 3.189 -5.588 -17.628 1.00 0.00 O ATOM 0 H ASP A 616 5.532 -7.862 -14.192 1.00 0.00 H new ATOM 0 HA ASP A 616 5.389 -8.617 -16.917 1.00 0.00 H new ATOM 0 HB2 ASP A 616 3.547 -7.726 -15.424 1.00 0.00 H new ATOM 0 HB3 ASP A 616 4.304 -6.147 -15.494 1.00 0.00 H new ATOM 621 N ASP A 617 7.203 -5.966 -16.301 1.00 0.00 N ATOM 622 CA ASP A 617 8.171 -5.014 -16.829 1.00 0.00 C ATOM 623 C ASP A 617 9.420 -5.703 -17.374 1.00 0.00 C ATOM 624 O ASP A 617 9.948 -5.339 -18.423 1.00 0.00 O ATOM 625 CB ASP A 617 8.558 -4.066 -15.697 1.00 0.00 C ATOM 626 CG ASP A 617 9.532 -2.964 -16.121 1.00 0.00 C ATOM 627 OD1 ASP A 617 9.143 -2.150 -16.988 1.00 0.00 O ATOM 628 OD2 ASP A 617 10.642 -2.932 -15.541 1.00 0.00 O ATOM 0 H ASP A 617 7.126 -5.929 -15.285 1.00 0.00 H new ATOM 0 HA ASP A 617 7.718 -4.475 -17.661 1.00 0.00 H new ATOM 0 HB2 ASP A 617 7.655 -3.606 -15.296 1.00 0.00 H new ATOM 0 HB3 ASP A 617 9.007 -4.644 -14.889 1.00 0.00 H new ATOM 633 N TYR A 618 9.873 -6.738 -16.663 1.00 0.00 N ATOM 634 CA TYR A 618 11.025 -7.555 -17.023 1.00 0.00 C ATOM 635 C TYR A 618 10.624 -8.638 -18.021 1.00 0.00 C ATOM 636 O TYR A 618 11.491 -9.340 -18.540 1.00 0.00 O ATOM 637 CB TYR A 618 11.611 -8.140 -15.730 1.00 0.00 C ATOM 638 CG TYR A 618 12.666 -7.266 -15.072 1.00 0.00 C ATOM 639 CD1 TYR A 618 13.970 -7.222 -15.601 1.00 0.00 C ATOM 640 CD2 TYR A 618 12.350 -6.496 -13.937 1.00 0.00 C ATOM 641 CE1 TYR A 618 14.949 -6.404 -15.006 1.00 0.00 C ATOM 642 CE2 TYR A 618 13.318 -5.671 -13.337 1.00 0.00 C ATOM 643 CZ TYR A 618 14.622 -5.617 -13.878 1.00 0.00 C ATOM 644 OH TYR A 618 15.570 -4.820 -13.310 1.00 0.00 O ATOM 0 H TYR A 618 9.431 -7.037 -15.794 1.00 0.00 H new ATOM 0 HA TYR A 618 11.788 -6.953 -17.517 1.00 0.00 H new ATOM 0 HB2 TYR A 618 10.801 -8.308 -15.021 1.00 0.00 H new ATOM 0 HB3 TYR A 618 12.048 -9.114 -15.951 1.00 0.00 H new ATOM 0 HD1 TYR A 618 14.220 -7.818 -16.466 1.00 0.00 H new ATOM 0 HD2 TYR A 618 11.354 -6.539 -13.523 1.00 0.00 H new ATOM 0 HE1 TYR A 618 15.950 -6.378 -15.411 1.00 0.00 H new ATOM 0 HE2 TYR A 618 13.066 -5.082 -12.468 1.00 0.00 H new ATOM 0 HH TYR A 618 15.183 -4.345 -12.545 1.00 0.00 H new ATOM 654 N GLY A 619 9.319 -8.787 -18.281 1.00 0.00 N ATOM 655 CA GLY A 619 8.806 -9.839 -19.158 1.00 0.00 C ATOM 656 C GLY A 619 8.895 -11.214 -18.487 1.00 0.00 C ATOM 657 O GLY A 619 8.940 -12.246 -19.152 1.00 0.00 O ATOM 0 H GLY A 619 8.595 -8.184 -17.890 1.00 0.00 H new ATOM 0 HA2 GLY A 619 7.769 -9.625 -19.418 1.00 0.00 H new ATOM 0 HA3 GLY A 619 9.373 -9.849 -20.089 1.00 0.00 H new ATOM 661 N GLY A 620 8.939 -11.201 -17.155 1.00 0.00 N ATOM 662 CA GLY A 620 8.901 -12.311 -16.236 1.00 0.00 C ATOM 663 C GLY A 620 10.156 -12.375 -15.376 1.00 0.00 C ATOM 664 O GLY A 620 10.726 -13.457 -15.252 1.00 0.00 O ATOM 0 H GLY A 620 9.009 -10.316 -16.653 1.00 0.00 H new ATOM 0 HA2 GLY A 620 8.024 -12.222 -15.594 1.00 0.00 H new ATOM 0 HA3 GLY A 620 8.794 -13.241 -16.794 1.00 0.00 H new ATOM 668 N ARG A 621 10.609 -11.257 -14.781 1.00 0.00 N ATOM 669 CA ARG A 621 11.505 -11.317 -13.622 1.00 0.00 C ATOM 670 C ARG A 621 11.150 -10.242 -12.600 1.00 0.00 C ATOM 671 O ARG A 621 10.877 -9.106 -12.941 1.00 0.00 O ATOM 672 CB ARG A 621 13.007 -11.169 -13.966 1.00 0.00 C ATOM 673 CG ARG A 621 13.599 -12.056 -15.073 1.00 0.00 C ATOM 674 CD ARG A 621 13.841 -13.495 -14.621 1.00 0.00 C ATOM 675 NE ARG A 621 14.416 -14.316 -15.703 1.00 0.00 N ATOM 676 CZ ARG A 621 13.741 -15.014 -16.631 1.00 0.00 C ATOM 677 NH1 ARG A 621 12.410 -15.032 -16.664 1.00 0.00 N ATOM 678 NH2 ARG A 621 14.418 -15.706 -17.548 1.00 0.00 N ATOM 0 H ARG A 621 10.370 -10.312 -15.083 1.00 0.00 H new ATOM 0 HA ARG A 621 11.355 -12.317 -13.215 1.00 0.00 H new ATOM 0 HB2 ARG A 621 13.182 -10.130 -14.245 1.00 0.00 H new ATOM 0 HB3 ARG A 621 13.575 -11.354 -13.054 1.00 0.00 H new ATOM 0 HG2 ARG A 621 12.924 -12.059 -15.929 1.00 0.00 H new ATOM 0 HG3 ARG A 621 14.541 -11.624 -15.412 1.00 0.00 H new ATOM 0 HD2 ARG A 621 14.514 -13.499 -13.764 1.00 0.00 H new ATOM 0 HD3 ARG A 621 12.901 -13.936 -14.290 1.00 0.00 H new ATOM 0 HE ARG A 621 15.434 -14.358 -15.752 1.00 0.00 H new ATOM 0 HH11 ARG A 621 11.876 -14.506 -15.972 1.00 0.00 H new ATOM 0 HH12 ARG A 621 11.925 -15.571 -17.381 1.00 0.00 H new ATOM 0 HH21 ARG A 621 15.438 -15.702 -17.540 1.00 0.00 H new ATOM 0 HH22 ARG A 621 13.916 -16.240 -18.258 1.00 0.00 H new ATOM 692 N ALA A 622 11.255 -10.578 -11.328 1.00 0.00 N ATOM 693 CA ALA A 622 11.238 -9.625 -10.232 1.00 0.00 C ATOM 694 C ALA A 622 12.517 -9.831 -9.419 1.00 0.00 C ATOM 695 O ALA A 622 12.572 -10.738 -8.588 1.00 0.00 O ATOM 696 CB ALA A 622 9.971 -9.762 -9.399 1.00 0.00 C ATOM 0 H ALA A 622 11.357 -11.545 -11.020 1.00 0.00 H new ATOM 0 HA ALA A 622 11.220 -8.602 -10.608 1.00 0.00 H new ATOM 0 HB1 ALA A 622 9.989 -9.035 -8.587 1.00 0.00 H new ATOM 0 HB2 ALA A 622 9.100 -9.581 -10.029 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.916 -10.768 -8.984 1.00 0.00 H new ATOM 702 N PRO A 623 13.585 -9.070 -9.707 1.00 0.00 N ATOM 703 CA PRO A 623 14.866 -9.234 -9.048 1.00 0.00 C ATOM 704 C PRO A 623 14.758 -8.912 -7.551 1.00 0.00 C ATOM 705 O PRO A 623 14.343 -7.816 -7.172 1.00 0.00 O ATOM 706 CB PRO A 623 15.858 -8.350 -9.807 1.00 0.00 C ATOM 707 CG PRO A 623 15.005 -7.396 -10.646 1.00 0.00 C ATOM 708 CD PRO A 623 13.624 -8.031 -10.716 1.00 0.00 C ATOM 0 HA PRO A 623 15.216 -10.266 -9.076 1.00 0.00 H new ATOM 0 HB2 PRO A 623 16.498 -7.799 -9.118 1.00 0.00 H new ATOM 0 HB3 PRO A 623 16.512 -8.950 -10.440 1.00 0.00 H new ATOM 0 HG2 PRO A 623 14.959 -6.408 -10.189 1.00 0.00 H new ATOM 0 HG3 PRO A 623 15.427 -7.267 -11.642 1.00 0.00 H new ATOM 0 HD2 PRO A 623 12.848 -7.288 -10.534 1.00 0.00 H new ATOM 0 HD3 PRO A 623 13.441 -8.448 -11.706 1.00 0.00 H new ATOM 716 N THR A 624 15.147 -9.860 -6.695 1.00 0.00 N ATOM 717 CA THR A 624 14.947 -9.867 -5.253 1.00 0.00 C ATOM 718 C THR A 624 15.643 -8.660 -4.622 1.00 0.00 C ATOM 719 O THR A 624 15.100 -8.013 -3.726 1.00 0.00 O ATOM 720 CB THR A 624 15.485 -11.202 -4.693 1.00 0.00 C ATOM 721 OG1 THR A 624 15.062 -12.266 -5.526 1.00 0.00 O ATOM 722 CG2 THR A 624 15.005 -11.439 -3.259 1.00 0.00 C ATOM 0 H THR A 624 15.640 -10.693 -7.016 1.00 0.00 H new ATOM 0 HA THR A 624 13.887 -9.788 -5.010 1.00 0.00 H new ATOM 0 HB THR A 624 16.574 -11.155 -4.677 1.00 0.00 H new ATOM 0 HG1 THR A 624 15.580 -13.071 -5.316 1.00 0.00 H new ATOM 0 HG21 THR A 624 15.401 -12.387 -2.895 1.00 0.00 H new ATOM 0 HG22 THR A 624 15.356 -10.629 -2.619 1.00 0.00 H new ATOM 0 HG23 THR A 624 13.916 -11.470 -3.240 1.00 0.00 H new ATOM 730 N ASN A 625 16.829 -8.316 -5.140 1.00 0.00 N ATOM 731 CA ASN A 625 17.582 -7.169 -4.663 1.00 0.00 C ATOM 732 C ASN A 625 16.839 -5.856 -4.910 1.00 0.00 C ATOM 733 O ASN A 625 16.837 -4.946 -4.076 1.00 0.00 O ATOM 734 CB ASN A 625 18.943 -7.102 -5.365 1.00 0.00 C ATOM 735 CG ASN A 625 19.731 -5.857 -4.960 1.00 0.00 C ATOM 736 OD1 ASN A 625 20.039 -5.025 -5.801 1.00 0.00 O ATOM 737 ND2 ASN A 625 20.057 -5.695 -3.683 1.00 0.00 N ATOM 0 H ASN A 625 17.284 -8.827 -5.897 1.00 0.00 H new ATOM 0 HA ASN A 625 17.714 -7.297 -3.589 1.00 0.00 H new ATOM 0 HB2 ASN A 625 19.522 -7.993 -5.122 1.00 0.00 H new ATOM 0 HB3 ASN A 625 18.795 -7.103 -6.445 1.00 0.00 H new ATOM 0 HD21 ASN A 625 20.573 -4.866 -3.390 1.00 0.00 H new ATOM 0 HD22 ASN A 625 19.791 -6.400 -2.995 1.00 0.00 H new ATOM 744 N ILE A 626 16.222 -5.758 -6.086 1.00 0.00 N ATOM 745 CA ILE A 626 15.465 -4.591 -6.482 1.00 0.00 C ATOM 746 C ILE A 626 14.169 -4.568 -5.675 1.00 0.00 C ATOM 747 O ILE A 626 13.823 -3.515 -5.170 1.00 0.00 O ATOM 748 CB ILE A 626 15.249 -4.589 -8.005 1.00 0.00 C ATOM 749 CG1 ILE A 626 16.579 -4.659 -8.801 1.00 0.00 C ATOM 750 CG2 ILE A 626 14.429 -3.370 -8.436 1.00 0.00 C ATOM 751 CD1 ILE A 626 17.583 -3.530 -8.525 1.00 0.00 C ATOM 0 H ILE A 626 16.239 -6.496 -6.790 1.00 0.00 H new ATOM 0 HA ILE A 626 16.007 -3.671 -6.263 1.00 0.00 H new ATOM 0 HB ILE A 626 14.691 -5.495 -8.241 1.00 0.00 H new ATOM 0 HG12 ILE A 626 17.062 -5.611 -8.582 1.00 0.00 H new ATOM 0 HG13 ILE A 626 16.344 -4.659 -9.865 1.00 0.00 H new ATOM 0 HG21 ILE A 626 14.289 -3.389 -9.517 1.00 0.00 H new ATOM 0 HG22 ILE A 626 13.457 -3.393 -7.943 1.00 0.00 H new ATOM 0 HG23 ILE A 626 14.957 -2.459 -8.155 1.00 0.00 H new ATOM 0 HD11 ILE A 626 18.475 -3.679 -9.134 1.00 0.00 H new ATOM 0 HD12 ILE A 626 17.129 -2.571 -8.774 1.00 0.00 H new ATOM 0 HD13 ILE A 626 17.859 -3.538 -7.470 1.00 0.00 H new ATOM 763 N LEU A 627 13.503 -5.707 -5.460 1.00 0.00 N ATOM 764 CA LEU A 627 12.335 -5.814 -4.583 1.00 0.00 C ATOM 765 C LEU A 627 12.605 -5.242 -3.192 1.00 0.00 C ATOM 766 O LEU A 627 11.785 -4.477 -2.686 1.00 0.00 O ATOM 767 CB LEU A 627 11.882 -7.288 -4.526 1.00 0.00 C ATOM 768 CG LEU A 627 10.790 -7.655 -5.548 1.00 0.00 C ATOM 769 CD1 LEU A 627 9.454 -7.440 -4.845 1.00 0.00 C ATOM 770 CD2 LEU A 627 10.812 -6.911 -6.889 1.00 0.00 C ATOM 0 H LEU A 627 13.764 -6.591 -5.896 1.00 0.00 H new ATOM 0 HA LEU A 627 11.527 -5.211 -4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 627 12.748 -7.929 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 627 11.512 -7.504 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 627 10.972 -8.687 -5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 627 8.640 -7.686 -5.527 1.00 0.00 H new ATOM 0 HD12 LEU A 627 9.398 -8.082 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 627 9.368 -6.397 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 627 9.992 -7.264 -7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 627 10.700 -5.841 -6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 627 11.760 -7.099 -7.394 1.00 0.00 H new ATOM 782 N ILE A 628 13.760 -5.565 -2.603 1.00 0.00 N ATOM 783 CA ILE A 628 14.214 -4.961 -1.352 1.00 0.00 C ATOM 784 C ILE A 628 14.355 -3.450 -1.556 1.00 0.00 C ATOM 785 O ILE A 628 13.681 -2.673 -0.878 1.00 0.00 O ATOM 786 CB ILE A 628 15.517 -5.648 -0.874 1.00 0.00 C ATOM 787 CG1 ILE A 628 15.218 -7.099 -0.433 1.00 0.00 C ATOM 788 CG2 ILE A 628 16.172 -4.868 0.277 1.00 0.00 C ATOM 789 CD1 ILE A 628 16.465 -7.983 -0.310 1.00 0.00 C ATOM 0 H ILE A 628 14.407 -6.255 -2.984 1.00 0.00 H new ATOM 0 HA ILE A 628 13.485 -5.113 -0.556 1.00 0.00 H new ATOM 0 HB ILE A 628 16.217 -5.662 -1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 628 14.704 -7.077 0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 628 14.533 -7.552 -1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 628 17.084 -5.377 0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 628 16.416 -3.860 -0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 628 15.481 -4.813 1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 628 16.171 -8.985 0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 628 16.969 -8.038 -1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 628 17.142 -7.556 0.429 1.00 0.00 H new ATOM 801 N THR A 629 15.219 -3.048 -2.492 1.00 0.00 N ATOM 802 CA THR A 629 15.590 -1.661 -2.749 1.00 0.00 C ATOM 803 C THR A 629 14.338 -0.789 -2.935 1.00 0.00 C ATOM 804 O THR A 629 14.172 0.212 -2.243 1.00 0.00 O ATOM 805 CB THR A 629 16.540 -1.612 -3.962 1.00 0.00 C ATOM 806 OG1 THR A 629 17.637 -2.491 -3.775 1.00 0.00 O ATOM 807 CG2 THR A 629 17.109 -0.208 -4.186 1.00 0.00 C ATOM 0 H THR A 629 15.694 -3.705 -3.111 1.00 0.00 H new ATOM 0 HA THR A 629 16.121 -1.248 -1.891 1.00 0.00 H new ATOM 0 HB THR A 629 15.948 -1.909 -4.827 1.00 0.00 H new ATOM 0 HG1 THR A 629 17.411 -3.376 -4.129 1.00 0.00 H new ATOM 0 HG21 THR A 629 17.773 -0.218 -5.050 1.00 0.00 H new ATOM 0 HG22 THR A 629 16.292 0.491 -4.364 1.00 0.00 H new ATOM 0 HG23 THR A 629 17.667 0.103 -3.303 1.00 0.00 H new ATOM 815 N GLU A 630 13.433 -1.203 -3.822 1.00 0.00 N ATOM 816 CA GLU A 630 12.178 -0.544 -4.150 1.00 0.00 C ATOM 817 C GLU A 630 11.301 -0.419 -2.908 1.00 0.00 C ATOM 818 O GLU A 630 10.792 0.669 -2.632 1.00 0.00 O ATOM 819 CB GLU A 630 11.453 -1.353 -5.242 1.00 0.00 C ATOM 820 CG GLU A 630 12.121 -1.239 -6.620 1.00 0.00 C ATOM 821 CD GLU A 630 11.976 0.167 -7.192 1.00 0.00 C ATOM 822 OE1 GLU A 630 10.826 0.594 -7.430 1.00 0.00 O ATOM 823 OE2 GLU A 630 13.003 0.874 -7.298 1.00 0.00 O ATOM 0 H GLU A 630 13.569 -2.059 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 630 12.383 0.460 -4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 630 11.419 -2.402 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 630 10.421 -1.009 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 630 13.178 -1.492 -6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 630 11.674 -1.960 -7.304 1.00 0.00 H new ATOM 830 N MET A 631 11.157 -1.493 -2.121 1.00 0.00 N ATOM 831 CA MET A 631 10.389 -1.433 -0.884 1.00 0.00 C ATOM 832 C MET A 631 10.951 -0.359 0.060 1.00 0.00 C ATOM 833 O MET A 631 10.156 0.383 0.642 1.00 0.00 O ATOM 834 CB MET A 631 10.380 -2.795 -0.178 1.00 0.00 C ATOM 835 CG MET A 631 9.373 -3.793 -0.748 1.00 0.00 C ATOM 836 SD MET A 631 7.633 -3.444 -0.371 1.00 0.00 S ATOM 837 CE MET A 631 7.525 -4.090 1.308 1.00 0.00 C ATOM 0 H MET A 631 11.562 -2.407 -2.323 1.00 0.00 H new ATOM 0 HA MET A 631 9.365 -1.167 -1.145 1.00 0.00 H new ATOM 0 HB2 MET A 631 11.378 -3.229 -0.239 1.00 0.00 H new ATOM 0 HB3 MET A 631 10.163 -2.642 0.879 1.00 0.00 H new ATOM 0 HG2 MET A 631 9.493 -3.826 -1.831 1.00 0.00 H new ATOM 0 HG3 MET A 631 9.617 -4.786 -0.370 1.00 0.00 H new ATOM 0 HE1 MET A 631 6.765 -3.539 1.862 1.00 0.00 H new ATOM 0 HE2 MET A 631 7.256 -5.146 1.275 1.00 0.00 H new ATOM 0 HE3 MET A 631 8.489 -3.977 1.804 1.00 0.00 H new ATOM 847 N MET A 632 12.284 -0.228 0.204 1.00 0.00 N ATOM 848 CA MET A 632 12.864 0.803 1.076 1.00 0.00 C ATOM 849 C MET A 632 12.726 2.212 0.488 1.00 0.00 C ATOM 850 O MET A 632 12.852 3.191 1.230 1.00 0.00 O ATOM 851 CB MET A 632 14.342 0.564 1.454 1.00 0.00 C ATOM 852 CG MET A 632 14.951 -0.783 1.062 1.00 0.00 C ATOM 853 SD MET A 632 16.699 -1.022 1.472 1.00 0.00 S ATOM 854 CE MET A 632 16.646 -0.673 3.241 1.00 0.00 C ATOM 0 H MET A 632 12.970 -0.817 -0.268 1.00 0.00 H new ATOM 0 HA MET A 632 12.275 0.725 1.989 1.00 0.00 H new ATOM 0 HB2 MET A 632 14.940 1.352 0.996 1.00 0.00 H new ATOM 0 HB3 MET A 632 14.438 0.677 2.534 1.00 0.00 H new ATOM 0 HG2 MET A 632 14.375 -1.573 1.545 1.00 0.00 H new ATOM 0 HG3 MET A 632 14.831 -0.913 -0.014 1.00 0.00 H new ATOM 0 HE1 MET A 632 17.486 -1.163 3.734 1.00 0.00 H new ATOM 0 HE2 MET A 632 16.709 0.403 3.402 1.00 0.00 H new ATOM 0 HE3 MET A 632 15.711 -1.048 3.658 1.00 0.00 H new ATOM 864 N ASP A 633 12.465 2.330 -0.817 1.00 0.00 N ATOM 865 CA ASP A 633 12.500 3.602 -1.533 1.00 0.00 C ATOM 866 C ASP A 633 11.092 4.133 -1.783 1.00 0.00 C ATOM 867 O ASP A 633 10.906 5.329 -1.996 1.00 0.00 O ATOM 868 CB ASP A 633 13.251 3.390 -2.854 1.00 0.00 C ATOM 869 CG ASP A 633 13.810 4.692 -3.447 1.00 0.00 C ATOM 870 OD1 ASP A 633 14.441 5.455 -2.687 1.00 0.00 O ATOM 871 OD2 ASP A 633 13.625 4.903 -4.673 1.00 0.00 O ATOM 0 H ASP A 633 12.221 1.536 -1.409 1.00 0.00 H new ATOM 0 HA ASP A 633 13.016 4.348 -0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 633 14.071 2.691 -2.690 1.00 0.00 H new ATOM 0 HB3 ASP A 633 12.578 2.928 -3.577 1.00 0.00 H new ATOM 876 N ARG A 634 10.091 3.242 -1.745 1.00 0.00 N ATOM 877 CA ARG A 634 8.715 3.561 -2.127 1.00 0.00 C ATOM 878 C ARG A 634 7.717 3.238 -1.026 1.00 0.00 C ATOM 879 O ARG A 634 6.649 3.845 -1.002 1.00 0.00 O ATOM 880 CB ARG A 634 8.375 2.879 -3.467 1.00 0.00 C ATOM 881 CG ARG A 634 9.390 3.365 -4.508 1.00 0.00 C ATOM 882 CD ARG A 634 9.099 3.136 -5.997 1.00 0.00 C ATOM 883 NE ARG A 634 10.357 3.139 -6.775 1.00 0.00 N ATOM 884 CZ ARG A 634 11.437 3.899 -6.528 1.00 0.00 C ATOM 885 NH1 ARG A 634 11.341 5.115 -5.996 1.00 0.00 N ATOM 886 NH2 ARG A 634 12.662 3.435 -6.719 1.00 0.00 N ATOM 0 H ARG A 634 10.218 2.275 -1.446 1.00 0.00 H new ATOM 0 HA ARG A 634 8.637 4.639 -2.270 1.00 0.00 H new ATOM 0 HB2 ARG A 634 8.420 1.795 -3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 634 7.360 3.129 -3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 634 9.525 4.437 -4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 634 10.345 2.890 -4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 634 8.583 2.185 -6.131 1.00 0.00 H new ATOM 0 HD3 ARG A 634 8.433 3.915 -6.368 1.00 0.00 H new ATOM 0 HE ARG A 634 10.409 2.506 -7.573 1.00 0.00 H new ATOM 0 HH11 ARG A 634 10.425 5.498 -5.762 1.00 0.00 H new ATOM 0 HH12 ARG A 634 12.183 5.664 -5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 634 12.800 2.484 -7.060 1.00 0.00 H new ATOM 0 HH22 ARG A 634 13.468 4.029 -6.525 1.00 0.00 H new ATOM 900 N TYR A 635 8.084 2.373 -0.072 1.00 0.00 N ATOM 901 CA TYR A 635 7.272 2.088 1.110 1.00 0.00 C ATOM 902 C TYR A 635 8.087 2.196 2.411 1.00 0.00 C ATOM 903 O TYR A 635 7.549 1.970 3.492 1.00 0.00 O ATOM 904 CB TYR A 635 6.596 0.722 0.927 1.00 0.00 C ATOM 905 CG TYR A 635 5.773 0.603 -0.353 1.00 0.00 C ATOM 906 CD1 TYR A 635 4.671 1.454 -0.575 1.00 0.00 C ATOM 907 CD2 TYR A 635 6.133 -0.329 -1.346 1.00 0.00 C ATOM 908 CE1 TYR A 635 3.934 1.367 -1.771 1.00 0.00 C ATOM 909 CE2 TYR A 635 5.386 -0.443 -2.532 1.00 0.00 C ATOM 910 CZ TYR A 635 4.279 0.409 -2.752 1.00 0.00 C ATOM 911 OH TYR A 635 3.538 0.311 -3.893 1.00 0.00 O ATOM 0 H TYR A 635 8.959 1.850 -0.102 1.00 0.00 H new ATOM 0 HA TYR A 635 6.493 2.843 1.210 1.00 0.00 H new ATOM 0 HB2 TYR A 635 7.362 -0.054 0.928 1.00 0.00 H new ATOM 0 HB3 TYR A 635 5.948 0.531 1.782 1.00 0.00 H new ATOM 0 HD1 TYR A 635 4.391 2.177 0.177 1.00 0.00 H new ATOM 0 HD2 TYR A 635 6.993 -0.964 -1.195 1.00 0.00 H new ATOM 0 HE1 TYR A 635 3.102 2.034 -1.940 1.00 0.00 H new ATOM 0 HE2 TYR A 635 5.657 -1.180 -3.273 1.00 0.00 H new ATOM 0 HH TYR A 635 3.908 -0.395 -4.464 1.00 0.00 H new ATOM 921 N ASN A 636 9.368 2.573 2.300 1.00 0.00 N ATOM 922 CA ASN A 636 10.378 2.704 3.346 1.00 0.00 C ATOM 923 C ASN A 636 10.392 1.570 4.374 1.00 0.00 C ATOM 924 O ASN A 636 10.572 1.790 5.571 1.00 0.00 O ATOM 925 CB ASN A 636 10.368 4.119 3.938 1.00 0.00 C ATOM 926 CG ASN A 636 11.720 4.503 4.538 1.00 0.00 C ATOM 927 OD1 ASN A 636 11.803 4.938 5.680 1.00 0.00 O ATOM 928 ND2 ASN A 636 12.805 4.401 3.774 1.00 0.00 N ATOM 0 H ASN A 636 9.754 2.816 1.388 1.00 0.00 H new ATOM 0 HA ASN A 636 11.348 2.575 2.866 1.00 0.00 H new ATOM 0 HB2 ASN A 636 10.101 4.835 3.160 1.00 0.00 H new ATOM 0 HB3 ASN A 636 9.599 4.184 4.708 1.00 0.00 H new ATOM 0 HD21 ASN A 636 13.714 4.686 4.138 1.00 0.00 H new ATOM 0 HD22 ASN A 636 12.728 4.038 2.824 1.00 0.00 H new ATOM 935 N VAL A 637 10.242 0.338 3.885 1.00 0.00 N ATOM 936 CA VAL A 637 10.387 -0.872 4.686 1.00 0.00 C ATOM 937 C VAL A 637 11.878 -1.248 4.682 1.00 0.00 C ATOM 938 O VAL A 637 12.488 -1.328 3.614 1.00 0.00 O ATOM 939 CB VAL A 637 9.461 -1.966 4.110 1.00 0.00 C ATOM 940 CG1 VAL A 637 9.531 -3.275 4.899 1.00 0.00 C ATOM 941 CG2 VAL A 637 7.989 -1.523 4.124 1.00 0.00 C ATOM 0 H VAL A 637 10.013 0.153 2.908 1.00 0.00 H new ATOM 0 HA VAL A 637 10.083 -0.734 5.724 1.00 0.00 H new ATOM 0 HB VAL A 637 9.815 -2.126 3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 637 8.860 -4.007 4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 637 10.551 -3.658 4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 637 9.231 -3.094 5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 637 7.366 -2.317 3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 637 7.681 -1.315 5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 637 7.874 -0.622 3.521 1.00 0.00 H new ATOM 951 N SER A 638 12.477 -1.450 5.863 1.00 0.00 N ATOM 952 CA SER A 638 13.879 -1.795 6.050 1.00 0.00 C ATOM 953 C SER A 638 14.153 -3.162 5.437 1.00 0.00 C ATOM 954 O SER A 638 13.275 -4.021 5.469 1.00 0.00 O ATOM 955 CB SER A 638 14.184 -1.846 7.554 1.00 0.00 C ATOM 956 OG SER A 638 13.620 -0.737 8.227 1.00 0.00 O ATOM 0 H SER A 638 11.971 -1.373 6.745 1.00 0.00 H new ATOM 0 HA SER A 638 14.508 -1.048 5.567 1.00 0.00 H new ATOM 0 HB2 SER A 638 13.790 -2.770 7.977 1.00 0.00 H new ATOM 0 HB3 SER A 638 15.263 -1.859 7.709 1.00 0.00 H new ATOM 0 HG SER A 638 13.827 -0.795 9.183 1.00 0.00 H new ATOM 962 N GLU A 639 15.382 -3.402 4.971 1.00 0.00 N ATOM 963 CA GLU A 639 15.766 -4.613 4.253 1.00 0.00 C ATOM 964 C GLU A 639 15.369 -5.876 5.019 1.00 0.00 C ATOM 965 O GLU A 639 14.793 -6.782 4.429 1.00 0.00 O ATOM 966 CB GLU A 639 17.270 -4.529 3.947 1.00 0.00 C ATOM 967 CG GLU A 639 17.879 -5.828 3.405 1.00 0.00 C ATOM 968 CD GLU A 639 19.257 -5.580 2.777 1.00 0.00 C ATOM 969 OE1 GLU A 639 20.132 -5.049 3.497 1.00 0.00 O ATOM 970 OE2 GLU A 639 19.412 -5.897 1.575 1.00 0.00 O ATOM 0 H GLU A 639 16.152 -2.743 5.087 1.00 0.00 H new ATOM 0 HA GLU A 639 15.224 -4.683 3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 639 17.437 -3.733 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 639 17.799 -4.246 4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 639 17.971 -6.554 4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 639 17.211 -6.262 2.661 1.00 0.00 H new ATOM 977 N GLU A 640 15.551 -5.885 6.341 1.00 0.00 N ATOM 978 CA GLU A 640 15.197 -7.015 7.204 1.00 0.00 C ATOM 979 C GLU A 640 13.679 -7.243 7.193 1.00 0.00 C ATOM 980 O GLU A 640 13.180 -8.365 7.079 1.00 0.00 O ATOM 981 CB GLU A 640 15.733 -6.716 8.601 1.00 0.00 C ATOM 982 CG GLU A 640 15.305 -7.784 9.619 1.00 0.00 C ATOM 983 CD GLU A 640 14.092 -7.376 10.475 1.00 0.00 C ATOM 984 OE1 GLU A 640 13.969 -6.181 10.825 1.00 0.00 O ATOM 985 OE2 GLU A 640 13.240 -8.246 10.767 1.00 0.00 O ATOM 0 H GLU A 640 15.954 -5.098 6.849 1.00 0.00 H new ATOM 0 HA GLU A 640 15.645 -7.941 6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 640 16.821 -6.661 8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 640 15.374 -5.740 8.926 1.00 0.00 H new ATOM 0 HG2 GLU A 640 15.069 -8.706 9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 640 16.146 -8.002 10.278 1.00 0.00 H new ATOM 992 N LYS A 641 12.937 -6.139 7.282 1.00 0.00 N ATOM 993 CA LYS A 641 11.485 -6.112 7.307 1.00 0.00 C ATOM 994 C LYS A 641 10.855 -6.404 5.950 1.00 0.00 C ATOM 995 O LYS A 641 9.661 -6.675 5.877 1.00 0.00 O ATOM 996 CB LYS A 641 11.043 -4.737 7.821 1.00 0.00 C ATOM 997 CG LYS A 641 9.697 -4.870 8.536 1.00 0.00 C ATOM 998 CD LYS A 641 9.949 -4.895 10.034 1.00 0.00 C ATOM 999 CE LYS A 641 11.143 -5.752 10.472 1.00 0.00 C ATOM 1000 NZ LYS A 641 10.823 -7.116 10.931 1.00 0.00 N ATOM 0 H LYS A 641 13.351 -5.209 7.340 1.00 0.00 H new ATOM 0 HA LYS A 641 11.140 -6.906 7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 641 11.791 -4.334 8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 641 10.958 -4.036 6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 641 9.045 -4.036 8.275 1.00 0.00 H new ATOM 0 HG3 LYS A 641 9.189 -5.782 8.222 1.00 0.00 H new ATOM 0 HD2 LYS A 641 10.108 -3.873 10.378 1.00 0.00 H new ATOM 0 HD3 LYS A 641 9.053 -5.264 10.533 1.00 0.00 H new ATOM 0 HE2 LYS A 641 11.839 -5.825 9.636 1.00 0.00 H new ATOM 0 HE3 LYS A 641 11.663 -5.232 11.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 641 11.690 -7.691 10.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 641 10.422 -7.075 11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 641 10.131 -7.546 10.285 1.00 0.00 H new ATOM 1014 N VAL A 642 11.650 -6.328 4.890 1.00 0.00 N ATOM 1015 CA VAL A 642 11.330 -6.888 3.577 1.00 0.00 C ATOM 1016 C VAL A 642 11.728 -8.360 3.505 1.00 0.00 C ATOM 1017 O VAL A 642 10.898 -9.148 3.062 1.00 0.00 O ATOM 1018 CB VAL A 642 11.958 -6.101 2.405 1.00 0.00 C ATOM 1019 CG1 VAL A 642 11.352 -6.586 1.080 1.00 0.00 C ATOM 1020 CG2 VAL A 642 11.700 -4.594 2.463 1.00 0.00 C ATOM 0 H VAL A 642 12.558 -5.864 4.917 1.00 0.00 H new ATOM 0 HA VAL A 642 10.249 -6.800 3.465 1.00 0.00 H new ATOM 0 HB VAL A 642 13.031 -6.278 2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 642 11.795 -6.031 0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.556 -7.649 0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.274 -6.422 1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 642 12.172 -4.111 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 642 10.626 -4.407 2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 642 12.118 -4.189 3.385 1.00 0.00 H new ATOM 1030 N GLU A 643 12.938 -8.757 3.921 1.00 0.00 N ATOM 1031 CA GLU A 643 13.422 -10.140 3.835 1.00 0.00 C ATOM 1032 C GLU A 643 12.414 -11.116 4.435 1.00 0.00 C ATOM 1033 O GLU A 643 12.174 -12.183 3.862 1.00 0.00 O ATOM 1034 CB GLU A 643 14.771 -10.305 4.552 1.00 0.00 C ATOM 1035 CG GLU A 643 15.979 -9.850 3.724 1.00 0.00 C ATOM 1036 CD GLU A 643 17.265 -10.031 4.536 1.00 0.00 C ATOM 1037 OE1 GLU A 643 17.450 -9.262 5.507 1.00 0.00 O ATOM 1038 OE2 GLU A 643 18.024 -10.969 4.203 1.00 0.00 O ATOM 0 H GLU A 643 13.617 -8.117 4.332 1.00 0.00 H new ATOM 0 HA GLU A 643 13.552 -10.365 2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 643 14.748 -9.738 5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 643 14.902 -11.353 4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 643 16.037 -10.427 2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 643 15.863 -8.804 3.439 1.00 0.00 H new ATOM 1045 N GLU A 644 11.781 -10.730 5.550 1.00 0.00 N ATOM 1046 CA GLU A 644 10.735 -11.536 6.158 1.00 0.00 C ATOM 1047 C GLU A 644 9.616 -11.805 5.144 1.00 0.00 C ATOM 1048 O GLU A 644 9.204 -12.948 4.969 1.00 0.00 O ATOM 1049 CB GLU A 644 10.239 -10.913 7.478 1.00 0.00 C ATOM 1050 CG GLU A 644 9.121 -9.884 7.270 1.00 0.00 C ATOM 1051 CD GLU A 644 8.595 -9.218 8.545 1.00 0.00 C ATOM 1052 OE1 GLU A 644 9.363 -8.450 9.169 1.00 0.00 O ATOM 1053 OE2 GLU A 644 7.408 -9.444 8.869 1.00 0.00 O ATOM 0 H GLU A 644 11.982 -9.861 6.045 1.00 0.00 H new ATOM 0 HA GLU A 644 11.146 -12.507 6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 644 9.879 -11.705 8.135 1.00 0.00 H new ATOM 0 HB3 GLU A 644 11.077 -10.434 7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 644 9.486 -9.107 6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 644 8.288 -10.375 6.767 1.00 0.00 H new ATOM 1060 N LEU A 645 9.159 -10.765 4.438 1.00 0.00 N ATOM 1061 CA LEU A 645 8.051 -10.804 3.495 1.00 0.00 C ATOM 1062 C LEU A 645 8.413 -11.787 2.404 1.00 0.00 C ATOM 1063 O LEU A 645 7.612 -12.653 2.052 1.00 0.00 O ATOM 1064 CB LEU A 645 7.728 -9.422 2.900 1.00 0.00 C ATOM 1065 CG LEU A 645 7.646 -8.302 3.946 1.00 0.00 C ATOM 1066 CD1 LEU A 645 7.483 -6.953 3.248 1.00 0.00 C ATOM 1067 CD2 LEU A 645 6.520 -8.509 4.962 1.00 0.00 C ATOM 0 H LEU A 645 9.573 -9.836 4.516 1.00 0.00 H new ATOM 0 HA LEU A 645 7.149 -11.118 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 645 8.491 -9.165 2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 645 6.779 -9.479 2.367 1.00 0.00 H new ATOM 0 HG LEU A 645 8.580 -8.323 4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 645 7.425 -6.161 3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 645 8.338 -6.775 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 645 6.569 -6.959 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 645 6.516 -7.683 5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 645 5.563 -8.545 4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 645 6.679 -9.446 5.495 1.00 0.00 H new ATOM 1079 N ILE A 646 9.652 -11.672 1.917 1.00 0.00 N ATOM 1080 CA ILE A 646 10.118 -12.518 0.839 1.00 0.00 C ATOM 1081 C ILE A 646 10.077 -13.969 1.316 1.00 0.00 C ATOM 1082 O ILE A 646 9.609 -14.816 0.557 1.00 0.00 O ATOM 1083 CB ILE A 646 11.507 -12.108 0.292 1.00 0.00 C ATOM 1084 CG1 ILE A 646 11.646 -10.594 0.037 1.00 0.00 C ATOM 1085 CG2 ILE A 646 11.689 -12.816 -1.057 1.00 0.00 C ATOM 1086 CD1 ILE A 646 13.057 -10.127 -0.327 1.00 0.00 C ATOM 0 H ILE A 646 10.341 -11.001 2.257 1.00 0.00 H new ATOM 0 HA ILE A 646 9.452 -12.396 -0.015 1.00 0.00 H new ATOM 0 HB ILE A 646 12.251 -12.384 1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 646 10.967 -10.312 -0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 646 11.321 -10.059 0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 646 12.659 -12.553 -1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 646 11.637 -13.895 -0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 646 10.900 -12.504 -1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 646 13.053 -9.049 -0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 646 13.742 -10.371 0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 646 13.382 -10.628 -1.239 1.00 0.00 H new ATOM 1098 N ARG A 647 10.484 -14.284 2.561 1.00 0.00 N ATOM 1099 CA ARG A 647 10.440 -15.696 2.957 1.00 0.00 C ATOM 1100 C ARG A 647 9.008 -16.139 3.225 1.00 0.00 C ATOM 1101 O ARG A 647 8.640 -17.221 2.788 1.00 0.00 O ATOM 1102 CB ARG A 647 11.404 -16.051 4.099 1.00 0.00 C ATOM 1103 CG ARG A 647 11.168 -15.352 5.445 1.00 0.00 C ATOM 1104 CD ARG A 647 11.922 -16.035 6.591 1.00 0.00 C ATOM 1105 NE ARG A 647 11.362 -17.369 6.886 1.00 0.00 N ATOM 1106 CZ ARG A 647 11.739 -18.192 7.874 1.00 0.00 C ATOM 1107 NH1 ARG A 647 12.705 -17.831 8.722 1.00 0.00 N ATOM 1108 NH2 ARG A 647 11.146 -19.380 8.008 1.00 0.00 N ATOM 0 H ARG A 647 10.824 -13.628 3.264 1.00 0.00 H new ATOM 0 HA ARG A 647 10.810 -16.271 2.108 1.00 0.00 H new ATOM 0 HB2 ARG A 647 11.356 -17.128 4.262 1.00 0.00 H new ATOM 0 HB3 ARG A 647 12.418 -15.823 3.771 1.00 0.00 H new ATOM 0 HG2 ARG A 647 11.485 -14.312 5.373 1.00 0.00 H new ATOM 0 HG3 ARG A 647 10.101 -15.346 5.667 1.00 0.00 H new ATOM 0 HD2 ARG A 647 12.976 -16.131 6.329 1.00 0.00 H new ATOM 0 HD3 ARG A 647 11.871 -15.412 7.484 1.00 0.00 H new ATOM 0 HE ARG A 647 10.613 -17.697 6.276 1.00 0.00 H new ATOM 0 HH11 ARG A 647 13.161 -16.924 8.620 1.00 0.00 H new ATOM 0 HH12 ARG A 647 12.987 -18.462 9.472 1.00 0.00 H new ATOM 0 HH21 ARG A 647 10.409 -19.658 7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 647 11.430 -20.010 8.759 1.00 0.00 H new ATOM 1122 N ILE A 648 8.190 -15.318 3.885 1.00 0.00 N ATOM 1123 CA ILE A 648 6.812 -15.644 4.241 1.00 0.00 C ATOM 1124 C ILE A 648 6.052 -15.994 2.967 1.00 0.00 C ATOM 1125 O ILE A 648 5.505 -17.093 2.867 1.00 0.00 O ATOM 1126 CB ILE A 648 6.190 -14.467 5.022 1.00 0.00 C ATOM 1127 CG1 ILE A 648 6.882 -14.359 6.407 1.00 0.00 C ATOM 1128 CG2 ILE A 648 4.675 -14.594 5.239 1.00 0.00 C ATOM 1129 CD1 ILE A 648 6.744 -12.987 7.058 1.00 0.00 C ATOM 0 H ILE A 648 8.475 -14.388 4.193 1.00 0.00 H new ATOM 0 HA ILE A 648 6.764 -16.512 4.899 1.00 0.00 H new ATOM 0 HB ILE A 648 6.348 -13.575 4.415 1.00 0.00 H new ATOM 0 HG12 ILE A 648 6.460 -15.111 7.073 1.00 0.00 H new ATOM 0 HG13 ILE A 648 7.941 -14.592 6.293 1.00 0.00 H new ATOM 0 HG21 ILE A 648 4.313 -13.729 5.795 1.00 0.00 H new ATOM 0 HG22 ILE A 648 4.172 -14.641 4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 648 4.463 -15.502 5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 648 7.253 -12.989 8.022 1.00 0.00 H new ATOM 0 HD12 ILE A 648 7.192 -12.231 6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 648 5.688 -12.759 7.205 1.00 0.00 H new ATOM 1141 N LEU A 649 6.022 -15.099 1.972 1.00 0.00 N ATOM 1142 CA LEU A 649 5.245 -15.386 0.779 1.00 0.00 C ATOM 1143 C LEU A 649 5.795 -16.597 -0.003 1.00 0.00 C ATOM 1144 O LEU A 649 5.032 -17.271 -0.699 1.00 0.00 O ATOM 1145 CB LEU A 649 5.104 -14.145 -0.115 1.00 0.00 C ATOM 1146 CG LEU A 649 4.116 -13.101 0.424 1.00 0.00 C ATOM 1147 CD1 LEU A 649 4.767 -12.098 1.371 1.00 0.00 C ATOM 1148 CD2 LEU A 649 3.485 -12.334 -0.744 1.00 0.00 C ATOM 0 H LEU A 649 6.510 -14.204 1.973 1.00 0.00 H new ATOM 0 HA LEU A 649 4.245 -15.662 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 649 6.083 -13.679 -0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 649 4.781 -14.459 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 649 3.361 -13.649 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 649 4.018 -11.386 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 649 5.190 -12.626 2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 649 5.559 -11.564 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 649 2.784 -11.594 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 649 4.267 -11.831 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 649 2.955 -13.031 -1.393 1.00 0.00 H new ATOM 1160 N LYS A 650 7.097 -16.891 0.119 1.00 0.00 N ATOM 1161 CA LYS A 650 7.730 -18.066 -0.503 1.00 0.00 C ATOM 1162 C LYS A 650 7.257 -19.342 0.183 1.00 0.00 C ATOM 1163 O LYS A 650 6.911 -20.325 -0.463 1.00 0.00 O ATOM 1164 CB LYS A 650 9.275 -17.996 -0.476 1.00 0.00 C ATOM 1165 CG LYS A 650 9.868 -17.079 -1.557 1.00 0.00 C ATOM 1166 CD LYS A 650 11.362 -16.769 -1.399 1.00 0.00 C ATOM 1167 CE LYS A 650 12.266 -17.995 -1.522 1.00 0.00 C ATOM 1168 NZ LYS A 650 13.690 -17.638 -1.331 1.00 0.00 N ATOM 0 H LYS A 650 7.747 -16.317 0.656 1.00 0.00 H new ATOM 0 HA LYS A 650 7.426 -18.073 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 650 9.597 -17.644 0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 650 9.678 -19.001 -0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 650 9.710 -17.542 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 650 9.316 -16.139 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 650 11.653 -16.038 -2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 650 11.526 -16.305 -0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 650 11.974 -18.740 -0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 650 12.132 -18.451 -2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 14.285 -18.470 -1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 13.947 -16.872 -1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 13.840 -17.321 -0.352 1.00 0.00 H new ATOM 1182 N ASP A 651 7.219 -19.284 1.506 1.00 0.00 N ATOM 1183 CA ASP A 651 6.862 -20.358 2.435 1.00 0.00 C ATOM 1184 C ASP A 651 5.405 -20.751 2.232 1.00 0.00 C ATOM 1185 O ASP A 651 5.055 -21.928 2.183 1.00 0.00 O ATOM 1186 CB ASP A 651 7.095 -19.840 3.858 1.00 0.00 C ATOM 1187 CG ASP A 651 7.036 -20.907 4.946 1.00 0.00 C ATOM 1188 OD1 ASP A 651 5.910 -21.187 5.409 1.00 0.00 O ATOM 1189 OD2 ASP A 651 8.130 -21.357 5.359 1.00 0.00 O ATOM 0 H ASP A 651 7.454 -18.423 2.000 1.00 0.00 H new ATOM 0 HA ASP A 651 7.473 -21.244 2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 651 8.070 -19.355 3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 651 6.350 -19.076 4.078 1.00 0.00 H new ATOM 1194 N LYS A 652 4.568 -19.734 2.010 1.00 0.00 N ATOM 1195 CA LYS A 652 3.165 -19.883 1.650 1.00 0.00 C ATOM 1196 C LYS A 652 2.968 -20.462 0.251 1.00 0.00 C ATOM 1197 O LYS A 652 1.844 -20.841 -0.072 1.00 0.00 O ATOM 1198 CB LYS A 652 2.504 -18.502 1.736 1.00 0.00 C ATOM 1199 CG LYS A 652 2.218 -18.119 3.194 1.00 0.00 C ATOM 1200 CD LYS A 652 2.483 -16.635 3.471 1.00 0.00 C ATOM 1201 CE LYS A 652 1.398 -15.986 4.338 1.00 0.00 C ATOM 1202 NZ LYS A 652 1.360 -16.578 5.694 1.00 0.00 N ATOM 0 H LYS A 652 4.861 -18.759 2.079 1.00 0.00 H new ATOM 0 HA LYS A 652 2.708 -20.589 2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 652 3.154 -17.755 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 652 1.574 -18.504 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 652 1.179 -18.350 3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 652 2.838 -18.725 3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 652 3.448 -16.530 3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 652 2.552 -16.101 2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 652 1.583 -14.915 4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 652 0.427 -16.109 3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 0.615 -16.116 6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 1.159 -17.596 5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 2.280 -16.439 6.160 1.00 0.00 H new ATOM 1216 N GLY A 653 4.005 -20.480 -0.595 1.00 0.00 N ATOM 1217 CA GLY A 653 3.845 -20.782 -2.006 1.00 0.00 C ATOM 1218 C GLY A 653 2.959 -19.745 -2.696 1.00 0.00 C ATOM 1219 O GLY A 653 2.304 -20.074 -3.678 1.00 0.00 O ATOM 0 H GLY A 653 4.967 -20.286 -0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 653 4.822 -20.808 -2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 653 3.406 -21.773 -2.121 1.00 0.00 H new ATOM 1223 N ALA A 654 2.910 -18.506 -2.186 1.00 0.00 N ATOM 1224 CA ALA A 654 2.360 -17.380 -2.929 1.00 0.00 C ATOM 1225 C ALA A 654 3.380 -16.914 -3.967 1.00 0.00 C ATOM 1226 O ALA A 654 3.008 -16.526 -5.076 1.00 0.00 O ATOM 1227 CB ALA A 654 2.024 -16.235 -1.972 1.00 0.00 C ATOM 0 H ALA A 654 3.249 -18.265 -1.255 1.00 0.00 H new ATOM 0 HA ALA A 654 1.446 -17.691 -3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.613 -15.398 -2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 654 1.290 -16.575 -1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 654 2.929 -15.915 -1.455 1.00 0.00 H new ATOM 1233 N ILE A 655 4.671 -16.967 -3.614 1.00 0.00 N ATOM 1234 CA ILE A 655 5.755 -16.658 -4.535 1.00 0.00 C ATOM 1235 C ILE A 655 6.808 -17.751 -4.435 1.00 0.00 C ATOM 1236 O ILE A 655 6.659 -18.716 -3.683 1.00 0.00 O ATOM 1237 CB ILE A 655 6.320 -15.242 -4.283 1.00 0.00 C ATOM 1238 CG1 ILE A 655 7.039 -15.165 -2.928 1.00 0.00 C ATOM 1239 CG2 ILE A 655 5.188 -14.214 -4.395 1.00 0.00 C ATOM 1240 CD1 ILE A 655 7.798 -13.863 -2.680 1.00 0.00 C ATOM 0 H ILE A 655 4.986 -17.226 -2.679 1.00 0.00 H new ATOM 0 HA ILE A 655 5.383 -16.641 -5.559 1.00 0.00 H new ATOM 0 HB ILE A 655 7.067 -15.012 -5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 655 6.304 -15.298 -2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 655 7.739 -15.997 -2.856 1.00 0.00 H new ATOM 0 HG21 ILE A 655 5.585 -13.215 -4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 655 4.753 -14.259 -5.393 1.00 0.00 H new ATOM 0 HG23 ILE A 655 4.420 -14.436 -3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 655 8.273 -13.900 -1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 655 8.561 -13.734 -3.448 1.00 0.00 H new ATOM 0 HD13 ILE A 655 7.103 -13.024 -2.715 1.00 0.00 H new ATOM 1252 N PHE A 656 7.882 -17.579 -5.193 1.00 0.00 N ATOM 1253 CA PHE A 656 9.012 -18.472 -5.227 1.00 0.00 C ATOM 1254 C PHE A 656 10.240 -17.705 -5.669 1.00 0.00 C ATOM 1255 O PHE A 656 10.129 -16.547 -6.064 1.00 0.00 O ATOM 1256 CB PHE A 656 8.703 -19.594 -6.210 1.00 0.00 C ATOM 1257 CG PHE A 656 9.248 -20.918 -5.732 1.00 0.00 C ATOM 1258 CD1 PHE A 656 8.666 -21.545 -4.613 1.00 0.00 C ATOM 1259 CD2 PHE A 656 10.388 -21.474 -6.341 1.00 0.00 C ATOM 1260 CE1 PHE A 656 9.223 -22.733 -4.108 1.00 0.00 C ATOM 1261 CE2 PHE A 656 10.944 -22.662 -5.834 1.00 0.00 C ATOM 1262 CZ PHE A 656 10.363 -23.289 -4.717 1.00 0.00 C ATOM 0 H PHE A 656 7.986 -16.782 -5.821 1.00 0.00 H new ATOM 0 HA PHE A 656 9.202 -18.893 -4.240 1.00 0.00 H new ATOM 0 HB2 PHE A 656 7.624 -19.672 -6.347 1.00 0.00 H new ATOM 0 HB3 PHE A 656 9.131 -19.354 -7.183 1.00 0.00 H new ATOM 0 HD1 PHE A 656 7.794 -21.114 -4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 656 10.835 -20.989 -7.196 1.00 0.00 H new ATOM 0 HE1 PHE A 656 8.776 -23.219 -3.253 1.00 0.00 H new ATOM 0 HE2 PHE A 656 11.817 -23.093 -6.302 1.00 0.00 H new ATOM 0 HZ PHE A 656 10.793 -24.199 -4.326 1.00 0.00 H new ATOM 1272 N GLU A 657 11.391 -18.377 -5.661 1.00 0.00 N ATOM 1273 CA GLU A 657 12.646 -17.837 -6.152 1.00 0.00 C ATOM 1274 C GLU A 657 13.243 -18.857 -7.133 1.00 0.00 C ATOM 1275 O GLU A 657 14.121 -19.628 -6.750 1.00 0.00 O ATOM 1276 CB GLU A 657 13.514 -17.465 -4.940 1.00 0.00 C ATOM 1277 CG GLU A 657 14.730 -16.582 -5.266 1.00 0.00 C ATOM 1278 CD GLU A 657 15.023 -15.558 -4.161 1.00 0.00 C ATOM 1279 OE1 GLU A 657 14.853 -15.922 -2.971 1.00 0.00 O ATOM 1280 OE2 GLU A 657 15.373 -14.407 -4.516 1.00 0.00 O ATOM 0 H GLU A 657 11.472 -19.329 -5.305 1.00 0.00 H new ATOM 0 HA GLU A 657 12.542 -16.913 -6.720 1.00 0.00 H new ATOM 0 HB2 GLU A 657 12.892 -16.947 -4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 657 13.865 -18.382 -4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 657 15.606 -17.214 -5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 657 14.554 -16.058 -6.205 1.00 0.00 H new ATOM 1287 N PRO A 658 12.726 -18.938 -8.380 1.00 0.00 N ATOM 1288 CA PRO A 658 13.148 -19.931 -9.372 1.00 0.00 C ATOM 1289 C PRO A 658 14.600 -19.776 -9.816 1.00 0.00 C ATOM 1290 O PRO A 658 15.177 -20.723 -10.348 1.00 0.00 O ATOM 1291 CB PRO A 658 12.233 -19.748 -10.579 1.00 0.00 C ATOM 1292 CG PRO A 658 11.767 -18.310 -10.439 1.00 0.00 C ATOM 1293 CD PRO A 658 11.626 -18.162 -8.932 1.00 0.00 C ATOM 0 HA PRO A 658 13.078 -20.923 -8.925 1.00 0.00 H new ATOM 0 HB2 PRO A 658 12.764 -19.911 -11.517 1.00 0.00 H new ATOM 0 HB3 PRO A 658 11.397 -20.447 -10.561 1.00 0.00 H new ATOM 0 HG2 PRO A 658 12.490 -17.606 -10.851 1.00 0.00 H new ATOM 0 HG3 PRO A 658 10.823 -18.136 -10.955 1.00 0.00 H new ATOM 0 HD2 PRO A 658 11.688 -17.117 -8.629 1.00 0.00 H new ATOM 0 HD3 PRO A 658 10.663 -18.538 -8.586 1.00 0.00 H new ATOM 1301 N ALA A 659 15.186 -18.592 -9.620 1.00 0.00 N ATOM 1302 CA ALA A 659 16.604 -18.372 -9.820 1.00 0.00 C ATOM 1303 C ALA A 659 17.152 -17.491 -8.706 1.00 0.00 C ATOM 1304 O ALA A 659 16.411 -16.914 -7.916 1.00 0.00 O ATOM 1305 CB ALA A 659 16.882 -17.807 -11.214 1.00 0.00 C ATOM 0 H ALA A 659 14.679 -17.760 -9.317 1.00 0.00 H new ATOM 0 HA ALA A 659 17.128 -19.327 -9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 659 17.954 -17.652 -11.337 1.00 0.00 H new ATOM 0 HB2 ALA A 659 16.529 -18.510 -11.969 1.00 0.00 H new ATOM 0 HB3 ALA A 659 16.362 -16.856 -11.332 1.00 0.00 H new ATOM 1311 N ARG A 660 18.480 -17.373 -8.703 1.00 0.00 N ATOM 1312 CA ARG A 660 19.349 -16.991 -7.583 1.00 0.00 C ATOM 1313 C ARG A 660 18.994 -15.681 -6.896 1.00 0.00 C ATOM 1314 O ARG A 660 19.324 -15.479 -5.733 1.00 0.00 O ATOM 1315 CB ARG A 660 20.804 -16.919 -8.073 1.00 0.00 C ATOM 1316 CG ARG A 660 21.192 -18.118 -8.947 1.00 0.00 C ATOM 1317 CD ARG A 660 22.618 -18.625 -8.695 1.00 0.00 C ATOM 1318 NE ARG A 660 23.631 -17.606 -9.021 1.00 0.00 N ATOM 1319 CZ ARG A 660 24.957 -17.736 -8.872 1.00 0.00 C ATOM 1320 NH1 ARG A 660 25.480 -18.870 -8.403 1.00 0.00 N ATOM 1321 NH2 ARG A 660 25.762 -16.724 -9.196 1.00 0.00 N ATOM 0 H ARG A 660 19.021 -17.556 -9.548 1.00 0.00 H new ATOM 0 HA ARG A 660 19.204 -17.765 -6.830 1.00 0.00 H new ATOM 0 HB2 ARG A 660 20.947 -15.999 -8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 660 21.471 -16.870 -7.213 1.00 0.00 H new ATOM 0 HG2 ARG A 660 20.489 -18.931 -8.767 1.00 0.00 H new ATOM 0 HG3 ARG A 660 21.094 -17.839 -9.996 1.00 0.00 H new ATOM 0 HD2 ARG A 660 22.720 -18.916 -7.650 1.00 0.00 H new ATOM 0 HD3 ARG A 660 22.796 -19.518 -9.294 1.00 0.00 H new ATOM 0 HE ARG A 660 23.292 -16.720 -9.395 1.00 0.00 H new ATOM 0 HH11 ARG A 660 24.870 -19.648 -8.154 1.00 0.00 H new ATOM 0 HH12 ARG A 660 26.490 -18.959 -8.293 1.00 0.00 H new ATOM 0 HH21 ARG A 660 25.369 -15.854 -9.556 1.00 0.00 H new ATOM 0 HH22 ARG A 660 26.771 -16.819 -9.084 1.00 0.00 H new ATOM 1335 N GLY A 661 18.358 -14.807 -7.657 1.00 0.00 N ATOM 1336 CA GLY A 661 17.829 -13.535 -7.195 1.00 0.00 C ATOM 1337 C GLY A 661 16.656 -13.071 -8.046 1.00 0.00 C ATOM 1338 O GLY A 661 16.571 -11.878 -8.324 1.00 0.00 O ATOM 0 H GLY A 661 18.190 -14.970 -8.650 1.00 0.00 H new ATOM 0 HA2 GLY A 661 17.511 -13.629 -6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 661 18.617 -12.782 -7.220 1.00 0.00 H new ATOM 1342 N TYR A 662 15.788 -13.993 -8.484 1.00 0.00 N ATOM 1343 CA TYR A 662 14.574 -13.701 -9.244 1.00 0.00 C ATOM 1344 C TYR A 662 13.415 -14.298 -8.461 1.00 0.00 C ATOM 1345 O TYR A 662 13.329 -15.520 -8.376 1.00 0.00 O ATOM 1346 CB TYR A 662 14.658 -14.288 -10.678 1.00 0.00 C ATOM 1347 CG TYR A 662 13.348 -14.572 -11.417 1.00 0.00 C ATOM 1348 CD1 TYR A 662 12.206 -13.789 -11.191 1.00 0.00 C ATOM 1349 CD2 TYR A 662 13.250 -15.666 -12.306 1.00 0.00 C ATOM 1350 CE1 TYR A 662 10.976 -14.131 -11.778 1.00 0.00 C ATOM 1351 CE2 TYR A 662 12.021 -15.991 -12.926 1.00 0.00 C ATOM 1352 CZ TYR A 662 10.864 -15.223 -12.654 1.00 0.00 C ATOM 1353 OH TYR A 662 9.654 -15.516 -13.218 1.00 0.00 O ATOM 0 H TYR A 662 15.919 -14.990 -8.312 1.00 0.00 H new ATOM 0 HA TYR A 662 14.438 -12.626 -9.367 1.00 0.00 H new ATOM 0 HB2 TYR A 662 15.242 -13.598 -11.287 1.00 0.00 H new ATOM 0 HB3 TYR A 662 15.220 -15.220 -10.625 1.00 0.00 H new ATOM 0 HD1 TYR A 662 12.273 -12.915 -10.560 1.00 0.00 H new ATOM 0 HD2 TYR A 662 14.126 -16.262 -12.515 1.00 0.00 H new ATOM 0 HE1 TYR A 662 10.099 -13.542 -11.551 1.00 0.00 H new ATOM 0 HE2 TYR A 662 11.965 -16.827 -13.608 1.00 0.00 H new ATOM 0 HH TYR A 662 9.181 -14.684 -13.427 1.00 0.00 H new ATOM 1363 N LEU A 663 12.527 -13.451 -7.926 1.00 0.00 N ATOM 1364 CA LEU A 663 11.252 -13.881 -7.374 1.00 0.00 C ATOM 1365 C LEU A 663 10.191 -13.993 -8.448 1.00 0.00 C ATOM 1366 O LEU A 663 10.030 -13.088 -9.258 1.00 0.00 O ATOM 1367 CB LEU A 663 10.708 -12.882 -6.353 1.00 0.00 C ATOM 1368 CG LEU A 663 11.529 -12.801 -5.070 1.00 0.00 C ATOM 1369 CD1 LEU A 663 10.893 -11.704 -4.219 1.00 0.00 C ATOM 1370 CD2 LEU A 663 11.583 -14.152 -4.334 1.00 0.00 C ATOM 0 H LEU A 663 12.681 -12.444 -7.867 1.00 0.00 H new ATOM 0 HA LEU A 663 11.451 -14.847 -6.909 1.00 0.00 H new ATOM 0 HB2 LEU A 663 10.669 -11.894 -6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 663 9.684 -13.157 -6.101 1.00 0.00 H new ATOM 0 HG LEU A 663 12.569 -12.561 -5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 663 11.444 -11.603 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 663 10.923 -10.759 -4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 663 9.857 -11.966 -4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 663 12.178 -14.048 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 663 10.572 -14.464 -4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 663 12.038 -14.901 -4.982 1.00 0.00 H new ATOM 1382 N LYS A 664 9.393 -15.051 -8.368 1.00 0.00 N ATOM 1383 CA LYS A 664 8.292 -15.327 -9.272 1.00 0.00 C ATOM 1384 C LYS A 664 7.024 -15.458 -8.463 1.00 0.00 C ATOM 1385 O LYS A 664 7.056 -16.039 -7.378 1.00 0.00 O ATOM 1386 CB LYS A 664 8.628 -16.623 -10.016 1.00 0.00 C ATOM 1387 CG LYS A 664 7.493 -17.132 -10.902 1.00 0.00 C ATOM 1388 CD LYS A 664 7.772 -18.529 -11.467 1.00 0.00 C ATOM 1389 CE LYS A 664 6.613 -18.965 -12.377 1.00 0.00 C ATOM 1390 NZ LYS A 664 5.331 -19.043 -11.640 1.00 0.00 N ATOM 0 H LYS A 664 9.502 -15.763 -7.646 1.00 0.00 H new ATOM 0 HA LYS A 664 8.143 -14.527 -9.997 1.00 0.00 H new ATOM 0 HB2 LYS A 664 9.513 -16.460 -10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 664 8.883 -17.394 -9.289 1.00 0.00 H new ATOM 0 HG2 LYS A 664 6.568 -17.155 -10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 664 7.338 -16.435 -11.725 1.00 0.00 H new ATOM 0 HD2 LYS A 664 8.706 -18.524 -12.030 1.00 0.00 H new ATOM 0 HD3 LYS A 664 7.895 -19.243 -10.652 1.00 0.00 H new ATOM 0 HE2 LYS A 664 6.515 -18.260 -13.203 1.00 0.00 H new ATOM 0 HE3 LYS A 664 6.840 -19.937 -12.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 664 4.575 -19.340 -12.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 664 5.416 -19.734 -10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 664 5.100 -18.109 -11.245 1.00 0.00 H new ATOM 1404 N ILE A 665 5.911 -14.968 -9.008 1.00 0.00 N ATOM 1405 CA ILE A 665 4.605 -15.304 -8.430 1.00 0.00 C ATOM 1406 C ILE A 665 4.258 -16.752 -8.789 1.00 0.00 C ATOM 1407 O ILE A 665 4.238 -17.110 -9.970 1.00 0.00 O ATOM 1408 CB ILE A 665 3.504 -14.302 -8.811 1.00 0.00 C ATOM 1409 CG1 ILE A 665 3.971 -12.911 -8.350 1.00 0.00 C ATOM 1410 CG2 ILE A 665 2.180 -14.692 -8.122 1.00 0.00 C ATOM 1411 CD1 ILE A 665 2.973 -11.799 -8.616 1.00 0.00 C ATOM 0 H ILE A 665 5.882 -14.356 -9.823 1.00 0.00 H new ATOM 0 HA ILE A 665 4.670 -15.224 -7.345 1.00 0.00 H new ATOM 0 HB ILE A 665 3.329 -14.302 -9.887 1.00 0.00 H new ATOM 0 HG12 ILE A 665 4.182 -12.947 -7.281 1.00 0.00 H new ATOM 0 HG13 ILE A 665 4.908 -12.670 -8.852 1.00 0.00 H new ATOM 0 HG21 ILE A 665 1.403 -13.978 -8.396 1.00 0.00 H new ATOM 0 HG22 ILE A 665 1.884 -15.691 -8.442 1.00 0.00 H new ATOM 0 HG23 ILE A 665 2.316 -14.683 -7.041 1.00 0.00 H new ATOM 0 HD11 ILE A 665 3.380 -10.852 -8.261 1.00 0.00 H new ATOM 0 HD12 ILE A 665 2.780 -11.732 -9.687 1.00 0.00 H new ATOM 0 HD13 ILE A 665 2.042 -12.013 -8.092 1.00 0.00 H new ATOM 1423 N VAL A 666 4.004 -17.535 -7.731 1.00 0.00 N ATOM 1424 CA VAL A 666 4.035 -18.992 -7.608 1.00 0.00 C ATOM 1425 C VAL A 666 4.477 -19.718 -8.881 1.00 0.00 C ATOM 1426 O VAL A 666 5.707 -19.805 -9.092 1.00 0.00 O ATOM 1427 CB VAL A 666 2.763 -19.518 -6.906 1.00 0.00 C ATOM 1428 CG1 VAL A 666 1.443 -19.178 -7.612 1.00 0.00 C ATOM 1429 CG2 VAL A 666 2.859 -21.025 -6.623 1.00 0.00 C ATOM 1430 OXT VAL A 666 3.642 -20.109 -9.722 1.00 0.00 O ATOM 0 H VAL A 666 3.742 -17.110 -6.842 1.00 0.00 H new ATOM 0 HA VAL A 666 4.848 -19.258 -6.933 1.00 0.00 H new ATOM 0 HB VAL A 666 2.730 -18.976 -5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 666 0.609 -19.590 -7.043 1.00 0.00 H new ATOM 0 HG12 VAL A 666 1.336 -18.095 -7.681 1.00 0.00 H new ATOM 0 HG13 VAL A 666 1.445 -19.607 -8.614 1.00 0.00 H new ATOM 0 HG21 VAL A 666 1.948 -21.361 -6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 666 2.983 -21.564 -7.562 1.00 0.00 H new ATOM 0 HG23 VAL A 666 3.715 -21.220 -5.977 1.00 0.00 H new