USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 387 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 Set 1.1: A 26 TYR OH : rot 94:sc= -0.0797 USER MOD Set 1.2: A 40 GLN : amide:sc= -0.141 K(o=0.58,f=-0.27!) USER MOD Set 1.3: A 61 SER OG : rot -109:sc= 0.804 USER MOD Set 2.1: A 6 HIS : no HE2:sc= -0.936! C(o=1.2!,f=-7.3!) USER MOD Set 2.2: A 36 TYR OH : rot -67:sc= 2.11 USER MOD Single : A 1 GLY N :NH3+ 152:sc= 0.0321 (180deg=-0.00416) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.12) USER MOD Single : A 13 GLN : amide:sc= -0.465 K(o=-0.47,f=-2.9!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -23:sc= 0.771 USER MOD Single : A 29 ASN : amide:sc= -0.457 K(o=-0.46,f=-5.5!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 148:sc= -0.167 (180deg=-1.13) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= -4.62! USER MOD Single : A 58 MET CE :methyl -168:sc= -0.301 (180deg=-0.781) USER MOD Single : A 60 LYS NZ :NH3+ 146:sc= 0.503 (180deg=-0.127) USER MOD ----------------------------------------------------------------- ATOM 422 N GLY A 1 -11.486 9.246 0.467 1.00 0.00 N ATOM 423 CA GLY A 1 -10.374 9.502 -0.495 1.00 0.00 C ATOM 424 C GLY A 1 -10.326 8.382 -1.536 1.00 0.00 C ATOM 425 O GLY A 1 -11.096 7.443 -1.475 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.255 9.675 1.386 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.365 9.664 0.101 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.613 8.221 0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.520 10.463 -0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.425 9.558 0.038 1.00 0.00 H new ATOM 429 N PRO A 2 -9.419 8.509 -2.467 1.00 0.00 N ATOM 430 CA PRO A 2 -9.281 7.476 -3.521 1.00 0.00 C ATOM 431 C PRO A 2 -8.618 6.208 -2.968 1.00 0.00 C ATOM 432 O PRO A 2 -8.794 5.130 -3.499 1.00 0.00 O ATOM 433 CB PRO A 2 -8.393 8.148 -4.562 1.00 0.00 C ATOM 434 CG PRO A 2 -7.615 9.187 -3.815 1.00 0.00 C ATOM 435 CD PRO A 2 -8.450 9.605 -2.632 1.00 0.00 C ATOM 0 HA PRO A 2 -10.240 7.152 -3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.728 7.426 -5.036 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.990 8.599 -5.354 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.656 8.787 -3.487 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.401 10.042 -4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.839 9.734 -1.739 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.951 10.555 -2.815 1.00 0.00 H new ATOM 443 N CYS A 3 -7.840 6.326 -1.924 1.00 0.00 N ATOM 444 CA CYS A 3 -7.156 5.124 -1.357 1.00 0.00 C ATOM 445 C CYS A 3 -8.071 4.332 -0.407 1.00 0.00 C ATOM 446 O CYS A 3 -8.267 3.147 -0.588 1.00 0.00 O ATOM 447 CB CYS A 3 -5.936 5.667 -0.617 1.00 0.00 C ATOM 448 SG CYS A 3 -4.995 4.297 0.090 1.00 0.00 S ATOM 0 H CYS A 3 -7.648 7.202 -1.439 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.880 4.422 -2.144 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.308 6.238 -1.301 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.251 6.350 0.172 1.00 0.00 H new ATOM 453 N ARG A 4 -8.625 4.960 0.607 1.00 0.00 N ATOM 454 CA ARG A 4 -9.506 4.197 1.557 1.00 0.00 C ATOM 455 C ARG A 4 -10.709 3.628 0.796 1.00 0.00 C ATOM 456 O ARG A 4 -11.092 2.492 1.007 1.00 0.00 O ATOM 457 CB ARG A 4 -9.903 5.187 2.673 1.00 0.00 C ATOM 458 CG ARG A 4 -11.418 5.204 2.908 1.00 0.00 C ATOM 459 CD ARG A 4 -11.829 3.971 3.716 1.00 0.00 C ATOM 460 NE ARG A 4 -13.043 4.395 4.471 1.00 0.00 N ATOM 461 CZ ARG A 4 -14.177 3.780 4.282 1.00 0.00 C ATOM 462 NH1 ARG A 4 -14.357 2.589 4.781 1.00 0.00 N ATOM 463 NH2 ARG A 4 -15.124 4.356 3.590 1.00 0.00 N ATOM 0 H ARG A 4 -8.509 5.951 0.817 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.003 3.339 2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -9.395 4.914 3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.565 6.189 2.407 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -11.703 6.111 3.441 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -11.944 5.217 1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -12.045 3.125 3.064 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -11.033 3.658 4.391 1.00 0.00 H new ATOM 0 HE ARG A 4 -12.986 5.167 5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -13.612 2.143 5.316 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -15.242 2.104 4.636 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -14.976 5.286 3.198 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -16.011 3.876 3.442 1.00 0.00 H new ATOM 477 N ARG A 5 -11.286 4.378 -0.114 1.00 0.00 N ATOM 478 CA ARG A 5 -12.430 3.818 -0.899 1.00 0.00 C ATOM 479 C ARG A 5 -11.924 2.591 -1.659 1.00 0.00 C ATOM 480 O ARG A 5 -12.582 1.567 -1.728 1.00 0.00 O ATOM 481 CB ARG A 5 -12.868 4.922 -1.863 1.00 0.00 C ATOM 482 CG ARG A 5 -13.601 6.010 -1.077 1.00 0.00 C ATOM 483 CD ARG A 5 -15.103 5.929 -1.373 1.00 0.00 C ATOM 484 NE ARG A 5 -15.749 5.694 -0.051 1.00 0.00 N ATOM 485 CZ ARG A 5 -16.625 4.731 0.080 1.00 0.00 C ATOM 486 NH1 ARG A 5 -17.884 4.959 -0.182 1.00 0.00 N ATOM 487 NH2 ARG A 5 -16.236 3.537 0.453 1.00 0.00 N ATOM 0 H ARG A 5 -11.020 5.336 -0.343 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.269 3.513 -0.274 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.001 5.344 -2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.520 4.511 -2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.423 5.885 -0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.218 6.993 -1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.465 6.850 -1.830 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.324 5.120 -2.069 1.00 0.00 H new ATOM 0 HE ARG A 5 -15.509 6.281 0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -18.182 5.885 -0.488 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -18.570 4.211 -0.081 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.250 3.358 0.641 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -16.919 2.787 0.555 1.00 0.00 H new ATOM 501 N HIS A 6 -10.728 2.680 -2.180 1.00 0.00 N ATOM 502 CA HIS A 6 -10.113 1.523 -2.888 1.00 0.00 C ATOM 503 C HIS A 6 -9.966 0.388 -1.877 1.00 0.00 C ATOM 504 O HIS A 6 -10.260 -0.752 -2.166 1.00 0.00 O ATOM 505 CB HIS A 6 -8.740 2.027 -3.347 1.00 0.00 C ATOM 506 CG HIS A 6 -8.168 1.119 -4.404 1.00 0.00 C ATOM 507 ND1 HIS A 6 -7.165 1.536 -5.265 1.00 0.00 N ATOM 508 CD2 HIS A 6 -8.429 -0.188 -4.741 1.00 0.00 C ATOM 509 CE1 HIS A 6 -6.859 0.499 -6.066 1.00 0.00 C ATOM 510 NE2 HIS A 6 -7.598 -0.577 -5.789 1.00 0.00 N ATOM 0 H HIS A 6 -10.146 3.517 -2.143 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.697 1.158 -3.733 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.831 3.039 -3.740 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.061 2.076 -2.496 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -6.736 2.461 -5.287 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.166 -0.818 -4.265 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.106 0.533 -6.840 1.00 0.00 H new ATOM 518 N LEU A 7 -9.545 0.714 -0.674 1.00 0.00 N ATOM 519 CA LEU A 7 -9.410 -0.328 0.387 1.00 0.00 C ATOM 520 C LEU A 7 -10.766 -1.008 0.586 1.00 0.00 C ATOM 521 O LEU A 7 -10.837 -2.204 0.759 1.00 0.00 O ATOM 522 CB LEU A 7 -8.994 0.415 1.665 1.00 0.00 C ATOM 523 CG LEU A 7 -7.628 -0.098 2.139 1.00 0.00 C ATOM 524 CD1 LEU A 7 -7.216 0.639 3.411 1.00 0.00 C ATOM 525 CD2 LEU A 7 -7.707 -1.601 2.428 1.00 0.00 C ATOM 0 H LEU A 7 -9.290 1.659 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.678 -1.092 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.945 1.487 1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.741 0.264 2.445 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.890 0.082 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.245 0.273 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.150 1.708 3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.958 0.463 4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.734 -1.959 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.449 -1.784 3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.995 -2.131 1.520 1.00 0.00 H new ATOM 537 N ASP A 8 -11.845 -0.257 0.533 1.00 0.00 N ATOM 538 CA ASP A 8 -13.200 -0.882 0.685 1.00 0.00 C ATOM 539 C ASP A 8 -13.350 -1.969 -0.382 1.00 0.00 C ATOM 540 O ASP A 8 -13.742 -3.085 -0.103 1.00 0.00 O ATOM 541 CB ASP A 8 -14.211 0.246 0.430 1.00 0.00 C ATOM 542 CG ASP A 8 -15.089 0.461 1.658 1.00 0.00 C ATOM 543 OD1 ASP A 8 -15.791 -0.456 2.030 1.00 0.00 O ATOM 544 OD2 ASP A 8 -15.052 1.548 2.204 1.00 0.00 O ATOM 0 H ASP A 8 -11.845 0.753 0.392 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.350 -1.331 1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.683 1.168 0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.833 -0.002 -0.430 1.00 0.00 H new ATOM 549 N SER A 9 -13.001 -1.640 -1.598 1.00 0.00 N ATOM 550 CA SER A 9 -13.067 -2.635 -2.702 1.00 0.00 C ATOM 551 C SER A 9 -11.984 -3.690 -2.474 1.00 0.00 C ATOM 552 O SER A 9 -12.235 -4.868 -2.579 1.00 0.00 O ATOM 553 CB SER A 9 -12.815 -1.843 -3.987 1.00 0.00 C ATOM 554 OG SER A 9 -13.898 -0.940 -4.209 1.00 0.00 O ATOM 0 H SER A 9 -12.670 -0.715 -1.873 1.00 0.00 H new ATOM 0 HA SER A 9 -14.024 -3.153 -2.756 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.878 -1.292 -3.909 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.715 -2.523 -4.833 1.00 0.00 H new ATOM 0 HG SER A 9 -13.736 -0.431 -5.031 1.00 0.00 H new ATOM 560 N VAL A 10 -10.785 -3.271 -2.131 1.00 0.00 N ATOM 561 CA VAL A 10 -9.689 -4.252 -1.864 1.00 0.00 C ATOM 562 C VAL A 10 -10.132 -5.172 -0.725 1.00 0.00 C ATOM 563 O VAL A 10 -9.917 -6.363 -0.763 1.00 0.00 O ATOM 564 CB VAL A 10 -8.471 -3.412 -1.449 1.00 0.00 C ATOM 565 CG1 VAL A 10 -7.328 -4.328 -1.008 1.00 0.00 C ATOM 566 CG2 VAL A 10 -8.002 -2.560 -2.634 1.00 0.00 C ATOM 0 H VAL A 10 -10.522 -2.291 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.451 -4.873 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.757 -2.764 -0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.469 -3.723 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.652 -4.932 -0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.047 -4.982 -1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.138 -1.966 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.726 -3.211 -3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.808 -1.896 -2.947 1.00 0.00 H new ATOM 576 N LEU A 11 -10.779 -4.630 0.273 1.00 0.00 N ATOM 577 CA LEU A 11 -11.269 -5.481 1.391 1.00 0.00 C ATOM 578 C LEU A 11 -12.203 -6.548 0.817 1.00 0.00 C ATOM 579 O LEU A 11 -12.050 -7.723 1.087 1.00 0.00 O ATOM 580 CB LEU A 11 -12.028 -4.532 2.329 1.00 0.00 C ATOM 581 CG LEU A 11 -12.683 -5.327 3.463 1.00 0.00 C ATOM 582 CD1 LEU A 11 -11.607 -6.047 4.271 1.00 0.00 C ATOM 583 CD2 LEU A 11 -13.437 -4.364 4.380 1.00 0.00 C ATOM 0 H LEU A 11 -10.988 -3.635 0.360 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.467 -5.991 1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.343 -3.791 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.788 -3.987 1.770 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.373 -6.058 3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.075 -6.612 5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.059 -6.729 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.918 -5.315 4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.906 -4.924 5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.739 -3.638 4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.204 -3.843 3.808 1.00 0.00 H new ATOM 595 N GLN A 12 -13.150 -6.152 -0.001 1.00 0.00 N ATOM 596 CA GLN A 12 -14.069 -7.170 -0.616 1.00 0.00 C ATOM 597 C GLN A 12 -13.293 -8.001 -1.652 1.00 0.00 C ATOM 598 O GLN A 12 -13.521 -9.184 -1.824 1.00 0.00 O ATOM 599 CB GLN A 12 -15.174 -6.360 -1.302 1.00 0.00 C ATOM 600 CG GLN A 12 -16.066 -5.700 -0.246 1.00 0.00 C ATOM 601 CD GLN A 12 -16.909 -6.767 0.466 1.00 0.00 C ATOM 602 OE1 GLN A 12 -16.880 -6.867 1.674 1.00 0.00 O ATOM 603 NE2 GLN A 12 -17.666 -7.570 -0.232 1.00 0.00 N ATOM 0 H GLN A 12 -13.327 -5.184 -0.268 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.478 -7.860 0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.733 -5.599 -1.946 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.771 -7.011 -1.941 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.452 -5.166 0.479 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.717 -4.963 -0.716 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -17.694 -7.490 -1.248 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.230 -8.278 0.239 1.00 0.00 H new ATOM 612 N GLN A 13 -12.380 -7.368 -2.331 1.00 0.00 N ATOM 613 CA GLN A 13 -11.544 -8.044 -3.375 1.00 0.00 C ATOM 614 C GLN A 13 -10.530 -9.013 -2.747 1.00 0.00 C ATOM 615 O GLN A 13 -10.106 -9.958 -3.370 1.00 0.00 O ATOM 616 CB GLN A 13 -10.779 -6.908 -4.069 1.00 0.00 C ATOM 617 CG GLN A 13 -11.615 -6.267 -5.188 1.00 0.00 C ATOM 618 CD GLN A 13 -10.793 -5.158 -5.842 1.00 0.00 C ATOM 619 OE1 GLN A 13 -11.207 -4.017 -5.878 1.00 0.00 O ATOM 620 NE2 GLN A 13 -9.638 -5.445 -6.371 1.00 0.00 N ATOM 0 H GLN A 13 -12.168 -6.378 -2.205 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.167 -8.626 -4.054 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.508 -6.149 -3.335 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.849 -7.295 -4.485 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.893 -7.017 -5.928 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.541 -5.861 -4.782 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.288 -6.403 -6.342 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.084 -4.712 -6.814 1.00 0.00 H new ATOM 629 N LEU A 14 -10.078 -8.734 -1.562 1.00 0.00 N ATOM 630 CA LEU A 14 -9.014 -9.568 -0.929 1.00 0.00 C ATOM 631 C LEU A 14 -9.250 -11.078 -1.047 1.00 0.00 C ATOM 632 O LEU A 14 -8.335 -11.818 -1.348 1.00 0.00 O ATOM 633 CB LEU A 14 -9.070 -9.161 0.540 1.00 0.00 C ATOM 634 CG LEU A 14 -7.656 -9.041 1.096 1.00 0.00 C ATOM 635 CD1 LEU A 14 -7.726 -8.783 2.597 1.00 0.00 C ATOM 636 CD2 LEU A 14 -6.888 -10.338 0.835 1.00 0.00 C ATOM 0 H LEU A 14 -10.403 -7.952 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.055 -9.399 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.593 -8.211 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.634 -9.899 1.110 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.141 -8.215 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.716 -8.697 2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.271 -7.857 2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.241 -9.611 3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.877 -10.249 1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.399 -11.168 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.840 -10.523 -0.238 1.00 0.00 H new ATOM 648 N GLN A 15 -10.426 -11.560 -0.786 1.00 0.00 N ATOM 649 CA GLN A 15 -10.630 -13.041 -0.864 1.00 0.00 C ATOM 650 C GLN A 15 -10.817 -13.558 -2.289 1.00 0.00 C ATOM 651 O GLN A 15 -10.474 -14.689 -2.583 1.00 0.00 O ATOM 652 CB GLN A 15 -11.868 -13.330 -0.013 1.00 0.00 C ATOM 653 CG GLN A 15 -11.497 -13.254 1.468 1.00 0.00 C ATOM 654 CD GLN A 15 -11.749 -14.613 2.122 1.00 0.00 C ATOM 655 OE1 GLN A 15 -10.887 -15.472 2.118 1.00 0.00 O ATOM 656 NE2 GLN A 15 -12.898 -14.848 2.685 1.00 0.00 N ATOM 0 H GLN A 15 -11.246 -11.012 -0.526 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.741 -13.557 -0.501 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.654 -12.610 -0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.263 -14.318 -0.250 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.450 -12.973 1.578 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.088 -12.484 1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.621 -14.128 2.689 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.076 -15.752 3.123 1.00 0.00 H new ATOM 665 N THR A 16 -11.385 -12.782 -3.154 1.00 0.00 N ATOM 666 CA THR A 16 -11.627 -13.272 -4.538 1.00 0.00 C ATOM 667 C THR A 16 -10.679 -12.637 -5.563 1.00 0.00 C ATOM 668 O THR A 16 -10.474 -13.178 -6.636 1.00 0.00 O ATOM 669 CB THR A 16 -13.067 -12.836 -4.806 1.00 0.00 C ATOM 670 OG1 THR A 16 -13.971 -13.803 -4.282 1.00 0.00 O ATOM 671 CG2 THR A 16 -13.292 -12.664 -6.307 1.00 0.00 C ATOM 0 H THR A 16 -11.695 -11.828 -2.968 1.00 0.00 H new ATOM 0 HA THR A 16 -11.458 -14.345 -4.628 1.00 0.00 H new ATOM 0 HB THR A 16 -13.246 -11.880 -4.313 1.00 0.00 H new ATOM 0 HG1 THR A 16 -14.892 -13.517 -4.455 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.321 -12.353 -6.487 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.611 -11.905 -6.692 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.105 -13.611 -6.814 1.00 0.00 H new ATOM 679 N GLU A 17 -10.136 -11.487 -5.282 1.00 0.00 N ATOM 680 CA GLU A 17 -9.259 -10.840 -6.307 1.00 0.00 C ATOM 681 C GLU A 17 -7.785 -11.169 -6.118 1.00 0.00 C ATOM 682 O GLU A 17 -6.930 -10.490 -6.646 1.00 0.00 O ATOM 683 CB GLU A 17 -9.521 -9.339 -6.198 1.00 0.00 C ATOM 684 CG GLU A 17 -10.868 -9.024 -6.865 1.00 0.00 C ATOM 685 CD GLU A 17 -10.696 -7.985 -7.979 1.00 0.00 C ATOM 686 OE1 GLU A 17 -9.663 -7.984 -8.630 1.00 0.00 O ATOM 687 OE2 GLU A 17 -11.611 -7.207 -8.173 1.00 0.00 O ATOM 0 H GLU A 17 -10.254 -10.973 -4.409 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.497 -11.217 -7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.537 -9.033 -5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.720 -8.780 -6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.297 -9.937 -7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.570 -8.651 -6.119 1.00 0.00 H new ATOM 789 N THR A 24 -1.189 -11.447 -7.379 1.00 0.00 N ATOM 790 CA THR A 24 -0.777 -10.015 -7.158 1.00 0.00 C ATOM 791 C THR A 24 -1.870 -9.036 -6.756 1.00 0.00 C ATOM 792 O THR A 24 -1.981 -7.951 -7.304 1.00 0.00 O ATOM 793 CB THR A 24 -0.104 -9.598 -8.449 1.00 0.00 C ATOM 794 OG1 THR A 24 -0.787 -10.157 -9.568 1.00 0.00 O ATOM 795 CG2 THR A 24 1.313 -10.127 -8.397 1.00 0.00 C ATOM 0 HA THR A 24 -0.126 -9.977 -6.284 1.00 0.00 H new ATOM 0 HB THR A 24 -0.118 -8.513 -8.557 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.291 -10.947 -9.282 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.839 -9.849 -9.311 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.829 -9.700 -7.537 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.293 -11.213 -8.306 1.00 0.00 H new ATOM 803 N LEU A 25 -2.646 -9.380 -5.798 1.00 0.00 N ATOM 804 CA LEU A 25 -3.702 -8.434 -5.344 1.00 0.00 C ATOM 805 C LEU A 25 -3.031 -7.337 -4.506 1.00 0.00 C ATOM 806 O LEU A 25 -2.319 -7.600 -3.555 1.00 0.00 O ATOM 807 CB LEU A 25 -4.663 -9.270 -4.499 1.00 0.00 C ATOM 808 CG LEU A 25 -5.659 -8.358 -3.773 1.00 0.00 C ATOM 809 CD1 LEU A 25 -6.773 -7.933 -4.734 1.00 0.00 C ATOM 810 CD2 LEU A 25 -6.278 -9.123 -2.605 1.00 0.00 C ATOM 0 H LEU A 25 -2.608 -10.270 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.236 -7.952 -6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.200 -9.974 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.102 -9.859 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.137 -7.473 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.477 -7.285 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.340 -7.394 -5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.296 -8.817 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.988 -8.480 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.796 -10.005 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.493 -9.431 -1.915 1.00 0.00 H new ATOM 822 N TYR A 26 -3.210 -6.109 -4.907 1.00 0.00 N ATOM 823 CA TYR A 26 -2.551 -4.962 -4.205 1.00 0.00 C ATOM 824 C TYR A 26 -3.455 -4.337 -3.133 1.00 0.00 C ATOM 825 O TYR A 26 -4.633 -4.099 -3.347 1.00 0.00 O ATOM 826 CB TYR A 26 -2.238 -3.944 -5.326 1.00 0.00 C ATOM 827 CG TYR A 26 -2.348 -2.519 -4.803 1.00 0.00 C ATOM 828 CD1 TYR A 26 -1.272 -1.930 -4.128 1.00 0.00 C ATOM 829 CD2 TYR A 26 -3.534 -1.795 -4.984 1.00 0.00 C ATOM 830 CE1 TYR A 26 -1.380 -0.626 -3.635 1.00 0.00 C ATOM 831 CE2 TYR A 26 -3.642 -0.491 -4.490 1.00 0.00 C ATOM 832 CZ TYR A 26 -2.566 0.094 -3.815 1.00 0.00 C ATOM 833 OH TYR A 26 -2.671 1.382 -3.334 1.00 0.00 O ATOM 0 H TYR A 26 -3.792 -5.844 -5.702 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.658 -5.286 -3.670 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.234 -4.118 -5.713 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.929 -4.086 -6.157 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.356 -2.484 -3.988 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.366 -2.245 -5.506 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.548 -0.175 -3.115 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.557 0.065 -4.630 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.433 2.016 -4.042 1.00 0.00 H new ATOM 843 N VAL A 27 -2.881 -4.028 -1.996 1.00 0.00 N ATOM 844 CA VAL A 27 -3.641 -3.365 -0.896 1.00 0.00 C ATOM 845 C VAL A 27 -3.116 -1.925 -0.755 1.00 0.00 C ATOM 846 O VAL A 27 -1.918 -1.704 -0.743 1.00 0.00 O ATOM 847 CB VAL A 27 -3.363 -4.203 0.363 1.00 0.00 C ATOM 848 CG1 VAL A 27 -3.637 -3.375 1.622 1.00 0.00 C ATOM 849 CG2 VAL A 27 -4.291 -5.422 0.368 1.00 0.00 C ATOM 0 H VAL A 27 -1.901 -4.211 -1.782 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.715 -3.309 -1.076 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.319 -4.516 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.436 -3.980 2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.990 -2.498 1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.680 -3.057 1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.100 -6.021 1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.329 -5.089 0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.106 -6.024 -0.522 1.00 0.00 H new ATOM 859 N PRO A 28 -4.023 -0.989 -0.693 1.00 0.00 N ATOM 860 CA PRO A 28 -3.638 0.436 -0.596 1.00 0.00 C ATOM 861 C PRO A 28 -3.445 0.911 0.854 1.00 0.00 C ATOM 862 O PRO A 28 -4.144 0.493 1.760 1.00 0.00 O ATOM 863 CB PRO A 28 -4.830 1.145 -1.231 1.00 0.00 C ATOM 864 CG PRO A 28 -6.005 0.216 -1.081 1.00 0.00 C ATOM 865 CD PRO A 28 -5.479 -1.154 -0.718 1.00 0.00 C ATOM 0 HA PRO A 28 -2.681 0.634 -1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.023 2.098 -0.738 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.638 1.362 -2.282 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.682 0.581 -0.308 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.575 0.171 -2.009 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.859 -1.482 0.250 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.782 -1.903 -1.450 1.00 0.00 H new ATOM 873 N ASN A 29 -2.522 1.824 1.058 1.00 0.00 N ATOM 874 CA ASN A 29 -2.287 2.399 2.421 1.00 0.00 C ATOM 875 C ASN A 29 -2.828 3.827 2.421 1.00 0.00 C ATOM 876 O ASN A 29 -2.452 4.622 1.584 1.00 0.00 O ATOM 877 CB ASN A 29 -0.769 2.425 2.606 1.00 0.00 C ATOM 878 CG ASN A 29 -0.413 3.248 3.849 1.00 0.00 C ATOM 879 OD1 ASN A 29 0.329 4.209 3.764 1.00 0.00 O ATOM 880 ND2 ASN A 29 -0.915 2.920 5.007 1.00 0.00 N ATOM 0 H ASN A 29 -1.915 2.198 0.328 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.771 1.828 3.214 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.388 1.409 2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.293 2.855 1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.685 3.468 5.836 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.537 2.116 5.084 1.00 0.00 H new ATOM 887 N CYS A 30 -3.723 4.173 3.303 1.00 0.00 N ATOM 888 CA CYS A 30 -4.270 5.560 3.248 1.00 0.00 C ATOM 889 C CYS A 30 -4.230 6.240 4.609 1.00 0.00 C ATOM 890 O CYS A 30 -4.427 5.619 5.639 1.00 0.00 O ATOM 891 CB CYS A 30 -5.730 5.395 2.822 1.00 0.00 C ATOM 892 SG CYS A 30 -5.940 3.893 1.824 1.00 0.00 S ATOM 0 H CYS A 30 -4.093 3.575 4.042 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.684 6.177 2.567 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -6.368 5.344 3.704 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.048 6.266 2.249 1.00 0.00 H new ATOM 897 N ASP A 31 -4.023 7.524 4.603 1.00 0.00 N ATOM 898 CA ASP A 31 -4.017 8.299 5.873 1.00 0.00 C ATOM 899 C ASP A 31 -5.436 8.855 6.124 1.00 0.00 C ATOM 900 O ASP A 31 -6.344 8.629 5.338 1.00 0.00 O ATOM 901 CB ASP A 31 -2.974 9.410 5.681 1.00 0.00 C ATOM 902 CG ASP A 31 -3.650 10.713 5.284 1.00 0.00 C ATOM 903 OD1 ASP A 31 -4.201 10.774 4.196 1.00 0.00 O ATOM 904 OD2 ASP A 31 -3.603 11.636 6.074 1.00 0.00 O ATOM 0 H ASP A 31 -3.856 8.077 3.763 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.757 7.698 6.745 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.411 9.552 6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.258 9.116 4.913 1.00 0.00 H new ATOM 909 N HIS A 32 -5.634 9.546 7.217 1.00 0.00 N ATOM 910 CA HIS A 32 -6.992 10.102 7.572 1.00 0.00 C ATOM 911 C HIS A 32 -7.683 10.836 6.398 1.00 0.00 C ATOM 912 O HIS A 32 -8.892 10.988 6.393 1.00 0.00 O ATOM 913 CB HIS A 32 -6.719 11.092 8.708 1.00 0.00 C ATOM 914 CG HIS A 32 -7.919 11.171 9.608 1.00 0.00 C ATOM 915 ND1 HIS A 32 -7.939 10.591 10.869 1.00 0.00 N ATOM 916 CD2 HIS A 32 -9.146 11.763 9.448 1.00 0.00 C ATOM 917 CE1 HIS A 32 -9.144 10.847 11.411 1.00 0.00 C ATOM 918 NE2 HIS A 32 -9.917 11.559 10.587 1.00 0.00 N ATOM 0 H HIS A 32 -4.903 9.757 7.896 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.671 9.293 7.843 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.845 10.775 9.277 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.493 12.077 8.299 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -9.465 12.305 8.570 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.449 10.517 12.393 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -10.869 11.884 10.757 1.00 0.00 H new ATOM 926 N ARG A 33 -6.955 11.288 5.407 1.00 0.00 N ATOM 927 CA ARG A 33 -7.621 11.999 4.254 1.00 0.00 C ATOM 928 C ARG A 33 -8.044 10.991 3.173 1.00 0.00 C ATOM 929 O ARG A 33 -8.449 11.364 2.090 1.00 0.00 O ATOM 930 CB ARG A 33 -6.591 12.998 3.695 1.00 0.00 C ATOM 931 CG ARG A 33 -5.716 13.533 4.828 1.00 0.00 C ATOM 932 CD ARG A 33 -6.587 14.235 5.875 1.00 0.00 C ATOM 933 NE ARG A 33 -6.914 15.567 5.297 1.00 0.00 N ATOM 934 CZ ARG A 33 -6.982 16.614 6.071 1.00 0.00 C ATOM 935 NH1 ARG A 33 -8.086 16.869 6.728 1.00 0.00 N ATOM 936 NH2 ARG A 33 -5.937 17.392 6.198 1.00 0.00 N ATOM 0 H ARG A 33 -5.941 11.201 5.339 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.523 12.516 4.581 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.970 12.511 2.943 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.103 13.823 3.199 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.165 12.714 5.291 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.978 14.230 4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.492 13.663 6.078 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.056 14.338 6.821 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.085 15.661 4.296 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.890 16.249 6.634 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.141 17.688 7.334 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.077 17.177 5.693 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.983 18.213 6.802 1.00 0.00 H new ATOM 950 N GLY A 34 -7.967 9.723 3.470 1.00 0.00 N ATOM 951 CA GLY A 34 -8.385 8.671 2.474 1.00 0.00 C ATOM 952 C GLY A 34 -7.441 8.589 1.260 1.00 0.00 C ATOM 953 O GLY A 34 -7.661 7.793 0.365 1.00 0.00 O ATOM 0 H GLY A 34 -7.632 9.359 4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.417 7.701 2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.396 8.886 2.128 1.00 0.00 H new ATOM 957 N PHE A 35 -6.400 9.375 1.209 1.00 0.00 N ATOM 958 CA PHE A 35 -5.464 9.300 0.040 1.00 0.00 C ATOM 959 C PHE A 35 -4.368 8.263 0.304 1.00 0.00 C ATOM 960 O PHE A 35 -4.054 7.967 1.444 1.00 0.00 O ATOM 961 CB PHE A 35 -4.832 10.692 -0.062 1.00 0.00 C ATOM 962 CG PHE A 35 -5.610 11.552 -1.032 1.00 0.00 C ATOM 963 CD1 PHE A 35 -6.922 11.952 -0.732 1.00 0.00 C ATOM 964 CD2 PHE A 35 -5.015 11.967 -2.230 1.00 0.00 C ATOM 965 CE1 PHE A 35 -7.632 12.756 -1.626 1.00 0.00 C ATOM 966 CE2 PHE A 35 -5.729 12.776 -3.120 1.00 0.00 C ATOM 967 CZ PHE A 35 -7.032 13.171 -2.818 1.00 0.00 C ATOM 0 H PHE A 35 -6.154 10.064 1.920 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.984 9.010 -0.873 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.815 11.164 0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.797 10.605 -0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.383 11.637 0.192 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.006 11.663 -2.466 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.644 13.057 -1.397 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.270 13.096 -4.044 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.578 13.799 -3.506 1.00 0.00 H new ATOM 977 N TYR A 36 -3.752 7.744 -0.736 1.00 0.00 N ATOM 978 CA TYR A 36 -2.628 6.770 -0.523 1.00 0.00 C ATOM 979 C TYR A 36 -1.487 7.611 0.024 1.00 0.00 C ATOM 980 O TYR A 36 -0.869 8.328 -0.729 1.00 0.00 O ATOM 981 CB TYR A 36 -2.222 6.212 -1.904 1.00 0.00 C ATOM 982 CG TYR A 36 -3.405 5.662 -2.679 1.00 0.00 C ATOM 983 CD1 TYR A 36 -4.174 6.512 -3.484 1.00 0.00 C ATOM 984 CD2 TYR A 36 -3.717 4.299 -2.614 1.00 0.00 C ATOM 985 CE1 TYR A 36 -5.254 6.002 -4.216 1.00 0.00 C ATOM 986 CE2 TYR A 36 -4.793 3.789 -3.349 1.00 0.00 C ATOM 987 CZ TYR A 36 -5.563 4.639 -4.148 1.00 0.00 C ATOM 988 OH TYR A 36 -6.622 4.129 -4.877 1.00 0.00 O ATOM 0 H TYR A 36 -3.975 7.949 -1.710 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.889 5.946 0.141 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.746 7.001 -2.486 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.481 5.424 -1.770 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.934 7.563 -3.541 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.126 3.640 -1.995 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.848 6.661 -4.833 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.029 2.736 -3.299 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.464 4.486 -4.524 1.00 0.00 H new ATOM 998 N ARG A 37 -1.248 7.646 1.311 1.00 0.00 N ATOM 999 CA ARG A 37 -0.189 8.595 1.745 1.00 0.00 C ATOM 1000 C ARG A 37 1.238 8.101 1.535 1.00 0.00 C ATOM 1001 O ARG A 37 1.970 8.648 0.736 1.00 0.00 O ATOM 1002 CB ARG A 37 -0.463 8.846 3.229 1.00 0.00 C ATOM 1003 CG ARG A 37 0.281 10.113 3.656 1.00 0.00 C ATOM 1004 CD ARG A 37 -0.710 11.226 4.010 1.00 0.00 C ATOM 1005 NE ARG A 37 -1.353 11.596 2.716 1.00 0.00 N ATOM 1006 CZ ARG A 37 -1.947 12.748 2.588 1.00 0.00 C ATOM 1007 NH1 ARG A 37 -3.199 12.870 2.920 1.00 0.00 N ATOM 1008 NH2 ARG A 37 -1.280 13.775 2.145 1.00 0.00 N ATOM 0 H ARG A 37 -1.708 7.096 2.036 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.239 9.497 1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.533 8.959 3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.132 7.995 3.824 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.915 9.897 4.515 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.937 10.445 2.851 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.449 10.881 4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.201 12.080 4.456 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.327 10.946 1.930 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.712 12.065 3.279 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.667 13.771 2.821 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.295 13.676 1.899 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.743 14.678 2.044 1.00 0.00 H new ATOM 1022 N LYS A 38 1.639 7.098 2.237 1.00 0.00 N ATOM 1023 CA LYS A 38 3.033 6.583 2.065 1.00 0.00 C ATOM 1024 C LYS A 38 3.150 5.322 1.229 1.00 0.00 C ATOM 1025 O LYS A 38 4.116 5.136 0.518 1.00 0.00 O ATOM 1026 CB LYS A 38 3.554 6.293 3.464 1.00 0.00 C ATOM 1027 CG LYS A 38 4.660 7.288 3.790 1.00 0.00 C ATOM 1028 CD LYS A 38 4.316 8.030 5.076 1.00 0.00 C ATOM 1029 CE LYS A 38 4.168 7.039 6.245 1.00 0.00 C ATOM 1030 NZ LYS A 38 5.466 6.297 6.316 1.00 0.00 N ATOM 0 H LYS A 38 1.073 6.603 2.926 1.00 0.00 H new ATOM 0 HA LYS A 38 3.604 7.338 1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.747 6.374 4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.934 5.273 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.611 6.767 3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.779 7.996 2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.096 8.757 5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.389 8.588 4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.965 7.563 7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.336 6.356 6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.667 6.043 7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.403 5.432 5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.231 6.900 5.951 1.00 0.00 H new ATOM 1044 N ARG A 39 2.276 4.381 1.446 1.00 0.00 N ATOM 1045 CA ARG A 39 2.464 3.055 0.801 1.00 0.00 C ATOM 1046 C ARG A 39 1.441 2.606 -0.238 1.00 0.00 C ATOM 1047 O ARG A 39 0.298 3.015 -0.285 1.00 0.00 O ATOM 1048 CB ARG A 39 2.363 2.092 1.977 1.00 0.00 C ATOM 1049 CG ARG A 39 3.752 1.650 2.428 1.00 0.00 C ATOM 1050 CD ARG A 39 3.592 0.463 3.376 1.00 0.00 C ATOM 1051 NE ARG A 39 3.345 1.063 4.716 1.00 0.00 N ATOM 1052 CZ ARG A 39 2.982 0.299 5.715 1.00 0.00 C ATOM 1053 NH1 ARG A 39 3.859 -0.487 6.278 1.00 0.00 N ATOM 1054 NH2 ARG A 39 1.738 0.289 6.117 1.00 0.00 N ATOM 0 H ARG A 39 1.448 4.471 2.035 1.00 0.00 H new ATOM 0 HA ARG A 39 3.395 3.092 0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.842 2.573 2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.773 1.221 1.692 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.360 1.370 1.568 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.267 2.469 2.929 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.762 -0.175 3.071 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.487 -0.159 3.382 1.00 0.00 H new ATOM 0 HE ARG A 39 3.458 2.067 4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.821 -0.503 5.939 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.582 -1.085 7.057 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.047 0.878 5.652 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.458 -0.308 6.896 1.00 0.00 H new ATOM 1068 N GLN A 40 1.886 1.627 -0.967 1.00 0.00 N ATOM 1069 CA GLN A 40 1.077 0.883 -1.959 1.00 0.00 C ATOM 1070 C GLN A 40 1.548 -0.562 -1.756 1.00 0.00 C ATOM 1071 O GLN A 40 2.743 -0.805 -1.761 1.00 0.00 O ATOM 1072 CB GLN A 40 1.464 1.435 -3.336 1.00 0.00 C ATOM 1073 CG GLN A 40 0.549 2.610 -3.699 1.00 0.00 C ATOM 1074 CD GLN A 40 -0.022 2.411 -5.106 1.00 0.00 C ATOM 1075 OE1 GLN A 40 -1.191 2.126 -5.264 1.00 0.00 O ATOM 1076 NE2 GLN A 40 0.751 2.548 -6.144 1.00 0.00 N ATOM 0 H GLN A 40 2.848 1.293 -0.906 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.006 0.961 -1.865 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.504 1.761 -3.328 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.381 0.651 -4.089 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.263 2.687 -2.975 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.107 3.545 -3.653 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.735 2.787 -6.019 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.373 2.416 -7.082 1.00 0.00 H new ATOM 1085 N CYS A 41 0.686 -1.511 -1.485 1.00 0.00 N ATOM 1086 CA CYS A 41 1.216 -2.882 -1.186 1.00 0.00 C ATOM 1087 C CYS A 41 0.904 -3.896 -2.271 1.00 0.00 C ATOM 1088 O CYS A 41 -0.209 -4.013 -2.741 1.00 0.00 O ATOM 1089 CB CYS A 41 0.497 -3.324 0.102 1.00 0.00 C ATOM 1090 SG CYS A 41 1.443 -2.853 1.570 1.00 0.00 S ATOM 0 H CYS A 41 -0.328 -1.406 -1.457 1.00 0.00 H new ATOM 0 HA CYS A 41 2.302 -2.838 -1.104 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.494 -2.871 0.143 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.353 -4.404 0.089 1.00 0.00 H new ATOM 1095 N ARG A 42 1.878 -4.699 -2.590 1.00 0.00 N ATOM 1096 CA ARG A 42 1.677 -5.794 -3.568 1.00 0.00 C ATOM 1097 C ARG A 42 1.560 -7.062 -2.721 1.00 0.00 C ATOM 1098 O ARG A 42 2.447 -7.367 -1.944 1.00 0.00 O ATOM 1099 CB ARG A 42 2.933 -5.763 -4.475 1.00 0.00 C ATOM 1100 CG ARG A 42 3.717 -7.082 -4.409 1.00 0.00 C ATOM 1101 CD ARG A 42 2.929 -8.195 -5.107 1.00 0.00 C ATOM 1102 NE ARG A 42 3.344 -9.453 -4.412 1.00 0.00 N ATOM 1103 CZ ARG A 42 4.187 -10.276 -4.989 1.00 0.00 C ATOM 1104 NH1 ARG A 42 5.206 -9.801 -5.659 1.00 0.00 N ATOM 1105 NH2 ARG A 42 4.025 -11.568 -4.875 1.00 0.00 N ATOM 0 H ARG A 42 2.821 -4.639 -2.205 1.00 0.00 H new ATOM 0 HA ARG A 42 0.795 -5.723 -4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.633 -5.570 -5.505 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.580 -4.940 -4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.690 -6.961 -4.885 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.902 -7.353 -3.370 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.855 -8.032 -5.021 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.161 -8.236 -6.171 1.00 0.00 H new ATOM 0 HE ARG A 42 2.971 -9.671 -3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.343 -8.793 -5.732 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.863 -10.439 -6.108 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.242 -11.938 -4.337 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.682 -12.206 -5.325 1.00 0.00 H new ATOM 1119 N SER A 43 0.468 -7.763 -2.804 1.00 0.00 N ATOM 1120 CA SER A 43 0.313 -8.962 -1.928 1.00 0.00 C ATOM 1121 C SER A 43 -0.003 -10.213 -2.736 1.00 0.00 C ATOM 1122 O SER A 43 -0.537 -10.143 -3.831 1.00 0.00 O ATOM 1123 CB SER A 43 -0.860 -8.620 -1.006 1.00 0.00 C ATOM 1124 OG SER A 43 -0.548 -7.459 -0.239 1.00 0.00 O ATOM 0 H SER A 43 -0.314 -7.566 -3.428 1.00 0.00 H new ATOM 0 HA SER A 43 1.232 -9.178 -1.384 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.760 -8.446 -1.596 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.070 -9.459 -0.343 1.00 0.00 H new ATOM 0 HG SER A 43 -1.302 -7.243 0.348 1.00 0.00 H new ATOM 1251 N CYS A 52 5.334 -3.587 0.560 1.00 0.00 N ATOM 1252 CA CYS A 52 4.793 -2.279 0.096 1.00 0.00 C ATOM 1253 C CYS A 52 5.918 -1.390 -0.416 1.00 0.00 C ATOM 1254 O CYS A 52 7.068 -1.561 -0.054 1.00 0.00 O ATOM 1255 CB CYS A 52 4.169 -1.644 1.338 1.00 0.00 C ATOM 1256 SG CYS A 52 2.450 -1.206 1.009 1.00 0.00 S ATOM 0 HA CYS A 52 4.077 -2.404 -0.717 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.222 -2.338 2.177 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.731 -0.755 1.624 1.00 0.00 H new ATOM 1261 N TRP A 53 5.590 -0.403 -1.193 1.00 0.00 N ATOM 1262 CA TRP A 53 6.631 0.552 -1.663 1.00 0.00 C ATOM 1263 C TRP A 53 6.151 1.972 -1.345 1.00 0.00 C ATOM 1264 O TRP A 53 4.977 2.186 -1.078 1.00 0.00 O ATOM 1265 CB TRP A 53 6.839 0.307 -3.171 1.00 0.00 C ATOM 1266 CG TRP A 53 5.606 0.586 -3.975 1.00 0.00 C ATOM 1267 CD1 TRP A 53 5.165 1.814 -4.332 1.00 0.00 C ATOM 1268 CD2 TRP A 53 4.676 -0.370 -4.563 1.00 0.00 C ATOM 1269 NE1 TRP A 53 4.021 1.670 -5.096 1.00 0.00 N ATOM 1270 CE2 TRP A 53 3.678 0.343 -5.263 1.00 0.00 C ATOM 1271 CE3 TRP A 53 4.603 -1.773 -4.548 1.00 0.00 C ATOM 1272 CZ2 TRP A 53 2.644 -0.315 -5.935 1.00 0.00 C ATOM 1273 CZ3 TRP A 53 3.565 -2.440 -5.221 1.00 0.00 C ATOM 1274 CH2 TRP A 53 2.587 -1.711 -5.910 1.00 0.00 C ATOM 0 H TRP A 53 4.645 -0.213 -1.526 1.00 0.00 H new ATOM 0 HA TRP A 53 7.591 0.414 -1.165 1.00 0.00 H new ATOM 0 HB2 TRP A 53 7.652 0.938 -3.529 1.00 0.00 H new ATOM 0 HB3 TRP A 53 7.145 -0.727 -3.329 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.629 2.752 -4.065 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.494 2.450 -5.489 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.350 -2.343 -4.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.895 0.251 -6.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.521 -3.519 -5.207 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.789 -2.228 -6.422 1.00 0.00 H new ATOM 1285 N CYS A 54 7.044 2.927 -1.322 1.00 0.00 N ATOM 1286 CA CYS A 54 6.644 4.326 -0.958 1.00 0.00 C ATOM 1287 C CYS A 54 5.951 5.039 -2.123 1.00 0.00 C ATOM 1288 O CYS A 54 6.331 4.901 -3.274 1.00 0.00 O ATOM 1289 CB CYS A 54 7.953 5.037 -0.588 1.00 0.00 C ATOM 1290 SG CYS A 54 7.679 6.827 -0.511 1.00 0.00 S ATOM 0 H CYS A 54 8.033 2.802 -1.539 1.00 0.00 H new ATOM 0 HA CYS A 54 5.926 4.330 -0.138 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.316 4.674 0.374 1.00 0.00 H new ATOM 0 HB3 CYS A 54 8.722 4.809 -1.326 1.00 0.00 H new ATOM 0 HG CYS A 54 8.790 7.423 -0.195 1.00 0.00 H new ATOM 1295 N VAL A 55 4.939 5.815 -1.818 1.00 0.00 N ATOM 1296 CA VAL A 55 4.190 6.569 -2.874 1.00 0.00 C ATOM 1297 C VAL A 55 3.827 7.962 -2.346 1.00 0.00 C ATOM 1298 O VAL A 55 3.930 8.220 -1.158 1.00 0.00 O ATOM 1299 CB VAL A 55 2.912 5.756 -3.149 1.00 0.00 C ATOM 1300 CG1 VAL A 55 3.284 4.402 -3.756 1.00 0.00 C ATOM 1301 CG2 VAL A 55 2.137 5.529 -1.849 1.00 0.00 C ATOM 0 H VAL A 55 4.595 5.960 -0.869 1.00 0.00 H new ATOM 0 HA VAL A 55 4.781 6.697 -3.781 1.00 0.00 H new ATOM 0 HB VAL A 55 2.286 6.314 -3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.377 3.829 -3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.821 4.558 -4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.919 3.853 -3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.236 4.953 -2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.762 4.981 -1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.860 6.491 -1.418 1.00 0.00 H new ATOM 1311 N ASP A 56 3.394 8.860 -3.198 1.00 0.00 N ATOM 1312 CA ASP A 56 3.007 10.210 -2.714 1.00 0.00 C ATOM 1313 C ASP A 56 1.531 10.177 -2.320 1.00 0.00 C ATOM 1314 O ASP A 56 0.876 9.164 -2.442 1.00 0.00 O ATOM 1315 CB ASP A 56 3.276 11.186 -3.873 1.00 0.00 C ATOM 1316 CG ASP A 56 2.092 11.218 -4.837 1.00 0.00 C ATOM 1317 OD1 ASP A 56 2.020 10.347 -5.683 1.00 0.00 O ATOM 1318 OD2 ASP A 56 1.290 12.127 -4.729 1.00 0.00 O ATOM 0 H ASP A 56 3.294 8.712 -4.202 1.00 0.00 H new ATOM 0 HA ASP A 56 3.573 10.526 -1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.457 12.186 -3.479 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.178 10.885 -4.406 1.00 0.00 H new ATOM 1323 N ARG A 57 1.024 11.266 -1.838 1.00 0.00 N ATOM 1324 CA ARG A 57 -0.415 11.317 -1.391 1.00 0.00 C ATOM 1325 C ARG A 57 -1.388 10.793 -2.462 1.00 0.00 C ATOM 1326 O ARG A 57 -2.433 10.251 -2.139 1.00 0.00 O ATOM 1327 CB ARG A 57 -0.693 12.793 -1.089 1.00 0.00 C ATOM 1328 CG ARG A 57 -0.623 13.611 -2.386 1.00 0.00 C ATOM 1329 CD ARG A 57 -0.267 15.068 -2.068 1.00 0.00 C ATOM 1330 NE ARG A 57 1.117 15.252 -2.598 1.00 0.00 N ATOM 1331 CZ ARG A 57 1.299 15.682 -3.819 1.00 0.00 C ATOM 1332 NH1 ARG A 57 1.383 16.969 -4.048 1.00 0.00 N ATOM 1333 NH2 ARG A 57 1.384 14.827 -4.806 1.00 0.00 N ATOM 0 H ARG A 57 1.538 12.140 -1.727 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.568 10.675 -0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.677 12.901 -0.633 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.035 13.170 -0.371 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.123 13.183 -3.056 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.580 13.567 -2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.966 15.757 -2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.308 15.259 -0.996 1.00 0.00 H new ATOM 0 HE ARG A 57 1.921 15.042 -2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.306 17.631 -3.275 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.525 17.310 -4.999 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.308 13.827 -4.622 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.526 15.161 -5.759 1.00 0.00 H new ATOM 1347 N MET A 58 -1.073 10.945 -3.722 1.00 0.00 N ATOM 1348 CA MET A 58 -1.997 10.451 -4.780 1.00 0.00 C ATOM 1349 C MET A 58 -1.870 8.926 -4.915 1.00 0.00 C ATOM 1350 O MET A 58 -2.773 8.272 -5.403 1.00 0.00 O ATOM 1351 CB MET A 58 -1.548 11.195 -6.048 1.00 0.00 C ATOM 1352 CG MET A 58 -1.719 10.339 -7.303 1.00 0.00 C ATOM 1353 SD MET A 58 -3.099 10.986 -8.277 1.00 0.00 S ATOM 1354 CE MET A 58 -4.434 10.494 -7.155 1.00 0.00 C ATOM 0 H MET A 58 -0.219 11.388 -4.061 1.00 0.00 H new ATOM 0 HA MET A 58 -3.049 10.638 -4.566 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.126 12.113 -6.154 1.00 0.00 H new ATOM 0 HB3 MET A 58 -0.502 11.486 -5.947 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.803 10.351 -7.894 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.907 9.301 -7.028 1.00 0.00 H new ATOM 0 HE1 MET A 58 -5.394 10.607 -7.660 1.00 0.00 H new ATOM 0 HE2 MET A 58 -4.298 9.453 -6.862 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.415 11.126 -6.267 1.00 0.00 H new ATOM 1364 N GLY A 59 -0.780 8.351 -4.471 1.00 0.00 N ATOM 1365 CA GLY A 59 -0.624 6.870 -4.566 1.00 0.00 C ATOM 1366 C GLY A 59 0.362 6.485 -5.674 1.00 0.00 C ATOM 1367 O GLY A 59 0.413 5.336 -6.076 1.00 0.00 O ATOM 0 H GLY A 59 0.006 8.844 -4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.274 6.477 -3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.593 6.412 -4.763 1.00 0.00 H new ATOM 1371 N LYS A 60 1.156 7.401 -6.174 1.00 0.00 N ATOM 1372 CA LYS A 60 2.126 7.019 -7.235 1.00 0.00 C ATOM 1373 C LYS A 60 3.401 6.491 -6.571 1.00 0.00 C ATOM 1374 O LYS A 60 3.852 7.016 -5.572 1.00 0.00 O ATOM 1375 CB LYS A 60 2.374 8.300 -8.039 1.00 0.00 C ATOM 1376 CG LYS A 60 3.869 8.617 -8.103 1.00 0.00 C ATOM 1377 CD LYS A 60 4.069 9.822 -9.007 1.00 0.00 C ATOM 1378 CE LYS A 60 4.923 10.877 -8.293 1.00 0.00 C ATOM 1379 NZ LYS A 60 4.041 11.470 -7.246 1.00 0.00 N ATOM 0 H LYS A 60 1.172 8.382 -5.895 1.00 0.00 H new ATOM 0 HA LYS A 60 1.764 6.229 -7.893 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.978 8.184 -9.048 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.840 9.132 -7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.255 8.824 -7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.422 7.760 -8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.554 9.515 -9.933 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.103 10.247 -9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.810 10.427 -7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.268 11.639 -8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.611 11.719 -6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.584 12.326 -7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.312 10.780 -6.974 1.00 0.00 H new ATOM 1393 N SER A 61 3.972 5.461 -7.122 1.00 0.00 N ATOM 1394 CA SER A 61 5.208 4.865 -6.540 1.00 0.00 C ATOM 1395 C SER A 61 6.401 5.786 -6.761 1.00 0.00 C ATOM 1396 O SER A 61 6.793 6.051 -7.882 1.00 0.00 O ATOM 1397 CB SER A 61 5.406 3.539 -7.283 1.00 0.00 C ATOM 1398 OG SER A 61 4.137 2.929 -7.520 1.00 0.00 O ATOM 0 H SER A 61 3.631 4.998 -7.964 1.00 0.00 H new ATOM 0 HA SER A 61 5.120 4.718 -5.464 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.919 3.713 -8.229 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.037 2.872 -6.696 1.00 0.00 H new ATOM 0 HG SER A 61 4.042 2.139 -6.948 1.00 0.00 H new ATOM 1404 N LEU A 62 6.982 6.269 -5.698 1.00 0.00 N ATOM 1405 CA LEU A 62 8.167 7.171 -5.833 1.00 0.00 C ATOM 1406 C LEU A 62 9.400 6.361 -6.271 1.00 0.00 C ATOM 1407 O LEU A 62 10.084 6.756 -7.193 1.00 0.00 O ATOM 1408 CB LEU A 62 8.374 7.804 -4.447 1.00 0.00 C ATOM 1409 CG LEU A 62 7.254 8.814 -4.173 1.00 0.00 C ATOM 1410 CD1 LEU A 62 7.174 9.099 -2.673 1.00 0.00 C ATOM 1411 CD2 LEU A 62 7.542 10.117 -4.922 1.00 0.00 C ATOM 0 H LEU A 62 6.689 6.080 -4.739 1.00 0.00 H new ATOM 0 HA LEU A 62 8.013 7.940 -6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.376 7.030 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.344 8.300 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 62 6.306 8.399 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.377 9.817 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.965 8.173 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.123 9.510 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.744 10.833 -4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.492 10.530 -4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.595 9.917 -5.992 1.00 0.00 H new