USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 675 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 32 TYR OH : rot -28:sc= -0.427 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.984 USER MOD Single : A 45 GLN : amide:sc= -1.67! C(o=-1.7!,f=-2.9!) USER MOD Single : A 46 GLN : amide:sc= -1.55 K(o=-1.5,f=-8.2!) USER MOD Single : A 54 MET CE :methyl -120:sc= -8.04! (180deg=-13.2!) USER MOD Single : A 57 HIS : no HE2:sc= -0.871 K(o=-0.87,f=-4.6) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl -146:sc= -4.7! (180deg=-9.21!) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 113 GLN : amide:sc= -2.36 K(o=-2.4,f=-3.3!) USER MOD Single : A 115 MET CE :methyl -167:sc= -0.204 (180deg=-0.412) USER MOD Single : A 123 HIS : no HE2:sc= 0.127 K(o=0.13,f=-0.7) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 THR OG1 : rot -50:sc= -1.16 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 507 N ASP A 31 7.466 12.384 9.177 1.00 0.00 N ATOM 508 CA ASP A 31 8.570 11.555 9.648 1.00 0.00 C ATOM 509 C ASP A 31 8.252 10.073 9.476 1.00 0.00 C ATOM 510 O ASP A 31 9.152 9.247 9.333 1.00 0.00 O ATOM 511 CB ASP A 31 8.869 11.855 11.118 1.00 0.00 C ATOM 512 CG ASP A 31 9.646 13.144 11.299 1.00 0.00 C ATOM 513 OD1 ASP A 31 9.131 14.209 10.898 1.00 0.00 O ATOM 514 OD2 ASP A 31 10.770 13.089 11.843 1.00 0.00 O ATOM 0 HA ASP A 31 9.449 11.791 9.048 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.932 11.918 11.671 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.436 11.029 11.546 1.00 0.00 H new ATOM 519 N TYR A 32 6.964 9.745 9.490 1.00 0.00 N ATOM 520 CA TYR A 32 6.523 8.365 9.335 1.00 0.00 C ATOM 521 C TYR A 32 5.663 8.210 8.088 1.00 0.00 C ATOM 522 O TYR A 32 5.289 9.197 7.455 1.00 0.00 O ATOM 523 CB TYR A 32 5.736 7.920 10.565 1.00 0.00 C ATOM 524 CG TYR A 32 6.605 7.462 11.713 1.00 0.00 C ATOM 525 CD1 TYR A 32 7.623 6.537 11.517 1.00 0.00 C ATOM 526 CD2 TYR A 32 6.400 7.953 12.995 1.00 0.00 C ATOM 527 CE1 TYR A 32 8.411 6.114 12.570 1.00 0.00 C ATOM 528 CE2 TYR A 32 7.186 7.536 14.052 1.00 0.00 C ATOM 529 CZ TYR A 32 8.190 6.617 13.835 1.00 0.00 C ATOM 530 OH TYR A 32 8.974 6.197 14.886 1.00 0.00 O ATOM 0 H TYR A 32 6.207 10.418 9.607 1.00 0.00 H new ATOM 0 HA TYR A 32 7.407 7.736 9.229 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.110 8.746 10.903 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.066 7.108 10.282 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.801 6.143 10.527 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.614 8.672 13.169 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.197 5.392 12.403 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.015 7.928 15.044 1.00 0.00 H new ATOM 0 HH TYR A 32 9.298 5.289 14.710 1.00 0.00 H new ATOM 540 N GLY A 33 5.352 6.967 7.739 1.00 0.00 N ATOM 541 CA GLY A 33 4.538 6.713 6.568 1.00 0.00 C ATOM 542 C GLY A 33 3.941 5.319 6.561 1.00 0.00 C ATOM 543 O GLY A 33 4.641 4.335 6.798 1.00 0.00 O ATOM 0 H GLY A 33 5.649 6.133 8.246 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.734 7.448 6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.145 6.848 5.673 1.00 0.00 H new ATOM 547 N LEU A 34 2.645 5.237 6.281 1.00 0.00 N ATOM 548 CA LEU A 34 1.953 3.955 6.235 1.00 0.00 C ATOM 549 C LEU A 34 1.984 3.393 4.820 1.00 0.00 C ATOM 550 O LEU A 34 1.421 3.980 3.896 1.00 0.00 O ATOM 551 CB LEU A 34 0.506 4.114 6.707 1.00 0.00 C ATOM 552 CG LEU A 34 -0.222 2.812 7.060 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.753 2.145 5.802 1.00 0.00 C ATOM 554 CD2 LEU A 34 0.695 1.866 7.823 1.00 0.00 C ATOM 0 H LEU A 34 2.053 6.043 6.083 1.00 0.00 H new ATOM 0 HA LEU A 34 2.463 3.260 6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.498 4.763 7.583 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.058 4.625 5.926 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.066 3.056 7.706 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.267 1.222 6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.450 2.817 5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.077 1.917 5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.155 0.950 8.062 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.563 1.626 7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.024 2.344 8.746 1.00 0.00 H new ATOM 566 N VAL A 35 2.659 2.262 4.651 1.00 0.00 N ATOM 567 CA VAL A 35 2.777 1.637 3.342 1.00 0.00 C ATOM 568 C VAL A 35 1.863 0.430 3.197 1.00 0.00 C ATOM 569 O VAL A 35 1.646 -0.323 4.146 1.00 0.00 O ATOM 570 CB VAL A 35 4.222 1.184 3.060 1.00 0.00 C ATOM 571 CG1 VAL A 35 4.706 0.249 4.158 1.00 0.00 C ATOM 572 CG2 VAL A 35 4.313 0.506 1.700 1.00 0.00 C ATOM 0 H VAL A 35 3.132 1.761 5.403 1.00 0.00 H new ATOM 0 HA VAL A 35 2.480 2.400 2.622 1.00 0.00 H new ATOM 0 HB VAL A 35 4.865 2.064 3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.729 -0.063 3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.677 0.767 5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.060 -0.628 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.341 0.193 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.659 -0.366 1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.004 1.205 0.923 1.00 0.00 H new ATOM 582 N ALA A 36 1.361 0.240 1.984 1.00 0.00 N ATOM 583 CA ALA A 36 0.501 -0.888 1.675 1.00 0.00 C ATOM 584 C ALA A 36 1.334 -2.015 1.077 1.00 0.00 C ATOM 585 O ALA A 36 1.929 -1.853 0.012 1.00 0.00 O ATOM 586 CB ALA A 36 -0.596 -0.464 0.711 1.00 0.00 C ATOM 0 H ALA A 36 1.538 0.860 1.194 1.00 0.00 H new ATOM 0 HA ALA A 36 0.030 -1.244 2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.234 -1.319 0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.194 0.326 1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.147 -0.095 -0.211 1.00 0.00 H new ATOM 592 N LEU A 37 1.392 -3.144 1.779 1.00 0.00 N ATOM 593 CA LEU A 37 2.174 -4.292 1.327 1.00 0.00 C ATOM 594 C LEU A 37 1.346 -5.241 0.463 1.00 0.00 C ATOM 595 O LEU A 37 1.698 -6.410 0.304 1.00 0.00 O ATOM 596 CB LEU A 37 2.734 -5.046 2.533 1.00 0.00 C ATOM 597 CG LEU A 37 3.326 -4.159 3.627 1.00 0.00 C ATOM 598 CD1 LEU A 37 3.371 -4.904 4.953 1.00 0.00 C ATOM 599 CD2 LEU A 37 4.714 -3.684 3.229 1.00 0.00 C ATOM 0 H LEU A 37 0.906 -3.289 2.664 1.00 0.00 H new ATOM 0 HA LEU A 37 2.992 -3.914 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.938 -5.651 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.505 -5.735 2.187 1.00 0.00 H new ATOM 0 HG LEU A 37 2.686 -3.285 3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.796 -4.256 5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.361 -5.194 5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.989 -5.796 4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.123 -3.053 4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.365 -4.546 3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.651 -3.112 2.303 1.00 0.00 H new ATOM 611 N GLU A 38 0.251 -4.738 -0.097 1.00 0.00 N ATOM 612 CA GLU A 38 -0.612 -5.551 -0.945 1.00 0.00 C ATOM 613 C GLU A 38 -1.551 -4.670 -1.762 1.00 0.00 C ATOM 614 O GLU A 38 -2.057 -3.662 -1.267 1.00 0.00 O ATOM 615 CB GLU A 38 -1.418 -6.536 -0.096 1.00 0.00 C ATOM 616 CG GLU A 38 -1.607 -7.894 -0.752 1.00 0.00 C ATOM 617 CD GLU A 38 -2.057 -8.958 0.229 1.00 0.00 C ATOM 618 OE1 GLU A 38 -2.592 -8.593 1.296 1.00 0.00 O ATOM 619 OE2 GLU A 38 -1.875 -10.157 -0.070 1.00 0.00 O ATOM 0 H GLU A 38 -0.059 -3.773 0.021 1.00 0.00 H new ATOM 0 HA GLU A 38 0.019 -6.114 -1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.916 -6.672 0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.397 -6.105 0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.343 -7.808 -1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.669 -8.204 -1.214 1.00 0.00 H new ATOM 626 N PRO A 39 -1.797 -5.033 -3.035 1.00 0.00 N ATOM 627 CA PRO A 39 -2.678 -4.261 -3.915 1.00 0.00 C ATOM 628 C PRO A 39 -4.137 -4.315 -3.475 1.00 0.00 C ATOM 629 O PRO A 39 -4.707 -5.393 -3.311 1.00 0.00 O ATOM 630 CB PRO A 39 -2.505 -4.935 -5.279 1.00 0.00 C ATOM 631 CG PRO A 39 -2.060 -6.321 -4.965 1.00 0.00 C ATOM 632 CD PRO A 39 -1.235 -6.216 -3.712 1.00 0.00 C ATOM 0 HA PRO A 39 -2.422 -3.202 -3.913 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.439 -4.937 -5.840 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.768 -4.411 -5.888 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.915 -6.981 -4.816 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.474 -6.738 -5.784 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.322 -7.111 -3.096 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.176 -6.086 -3.937 1.00 0.00 H new ATOM 640 N ALA A 40 -4.736 -3.143 -3.287 1.00 0.00 N ATOM 641 CA ALA A 40 -6.129 -3.059 -2.865 1.00 0.00 C ATOM 642 C ALA A 40 -6.765 -1.748 -3.315 1.00 0.00 C ATOM 643 O ALA A 40 -6.084 -0.854 -3.818 1.00 0.00 O ATOM 644 CB ALA A 40 -6.235 -3.208 -1.355 1.00 0.00 C ATOM 0 H ALA A 40 -4.279 -2.241 -3.420 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.673 -3.876 -3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.281 -3.143 -1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.831 -4.175 -1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.669 -2.413 -0.870 1.00 0.00 H new ATOM 650 N TRP A 41 -8.075 -1.642 -3.125 1.00 0.00 N ATOM 651 CA TRP A 41 -8.812 -0.442 -3.506 1.00 0.00 C ATOM 652 C TRP A 41 -9.234 0.344 -2.269 1.00 0.00 C ATOM 653 O TRP A 41 -10.137 -0.066 -1.538 1.00 0.00 O ATOM 654 CB TRP A 41 -10.041 -0.818 -4.335 1.00 0.00 C ATOM 655 CG TRP A 41 -9.700 -1.357 -5.692 1.00 0.00 C ATOM 656 CD1 TRP A 41 -8.643 -0.994 -6.475 1.00 0.00 C ATOM 657 CD2 TRP A 41 -10.420 -2.355 -6.423 1.00 0.00 C ATOM 658 NE1 TRP A 41 -8.662 -1.706 -7.651 1.00 0.00 N ATOM 659 CE2 TRP A 41 -9.742 -2.548 -7.643 1.00 0.00 C ATOM 660 CE3 TRP A 41 -11.570 -3.106 -6.167 1.00 0.00 C ATOM 661 CZ2 TRP A 41 -10.177 -3.460 -8.600 1.00 0.00 C ATOM 662 CZ3 TRP A 41 -12.002 -4.011 -7.118 1.00 0.00 C ATOM 663 CH2 TRP A 41 -11.306 -4.182 -8.322 1.00 0.00 C ATOM 0 H TRP A 41 -8.650 -2.374 -2.708 1.00 0.00 H new ATOM 0 HA TRP A 41 -8.158 0.187 -4.109 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.623 -1.563 -3.792 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -10.676 0.061 -4.450 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.901 -0.256 -6.210 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.982 -1.621 -8.407 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.112 -2.981 -5.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.643 -3.593 -9.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -12.890 -4.596 -6.930 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -11.668 -4.898 -9.045 1.00 0.00 H new ATOM 674 N ILE A 42 -8.573 1.474 -2.037 1.00 0.00 N ATOM 675 CA ILE A 42 -8.877 2.315 -0.884 1.00 0.00 C ATOM 676 C ILE A 42 -10.054 3.241 -1.170 1.00 0.00 C ATOM 677 O ILE A 42 -9.986 4.092 -2.057 1.00 0.00 O ATOM 678 CB ILE A 42 -7.659 3.163 -0.470 1.00 0.00 C ATOM 679 CG1 ILE A 42 -6.397 2.300 -0.431 1.00 0.00 C ATOM 680 CG2 ILE A 42 -7.903 3.812 0.883 1.00 0.00 C ATOM 681 CD1 ILE A 42 -6.451 1.205 0.611 1.00 0.00 C ATOM 0 H ILE A 42 -7.824 1.828 -2.632 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.139 1.644 -0.066 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.515 3.950 -1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.242 1.851 -1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.535 2.938 -0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.034 4.408 1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.781 4.455 0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -8.069 3.039 1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.525 0.631 0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.575 1.649 1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.293 0.545 0.402 1.00 0.00 H new ATOM 693 N THR A 43 -11.132 3.068 -0.412 1.00 0.00 N ATOM 694 CA THR A 43 -12.329 3.886 -0.581 1.00 0.00 C ATOM 695 C THR A 43 -12.158 5.253 0.070 1.00 0.00 C ATOM 696 O THR A 43 -11.221 5.478 0.837 1.00 0.00 O ATOM 697 CB THR A 43 -13.545 3.178 0.017 1.00 0.00 C ATOM 698 OG1 THR A 43 -13.165 2.362 1.114 1.00 0.00 O ATOM 699 CG2 THR A 43 -14.275 2.305 -0.978 1.00 0.00 C ATOM 0 H THR A 43 -11.202 2.368 0.326 1.00 0.00 H new ATOM 0 HA THR A 43 -12.486 4.031 -1.650 1.00 0.00 H new ATOM 0 HB THR A 43 -14.216 3.975 0.337 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.958 1.920 1.483 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.127 1.832 -0.490 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.626 2.916 -1.809 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.599 1.537 -1.353 1.00 0.00 H new ATOM 707 N ALA A 44 -13.076 6.163 -0.240 1.00 0.00 N ATOM 708 CA ALA A 44 -13.037 7.510 0.315 1.00 0.00 C ATOM 709 C ALA A 44 -13.042 7.470 1.838 1.00 0.00 C ATOM 710 O ALA A 44 -12.296 8.202 2.490 1.00 0.00 O ATOM 711 CB ALA A 44 -14.213 8.327 -0.199 1.00 0.00 C ATOM 0 H ALA A 44 -13.857 5.991 -0.873 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.112 7.986 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.171 9.331 0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.166 8.389 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.146 7.847 0.097 1.00 0.00 H new ATOM 717 N GLN A 45 -13.890 6.614 2.402 1.00 0.00 N ATOM 718 CA GLN A 45 -14.003 6.470 3.823 1.00 0.00 C ATOM 719 C GLN A 45 -12.671 6.106 4.465 1.00 0.00 C ATOM 720 O GLN A 45 -12.342 6.593 5.536 1.00 0.00 O ATOM 721 CB GLN A 45 -15.032 5.392 4.091 1.00 0.00 C ATOM 722 CG GLN A 45 -16.242 5.899 4.828 1.00 0.00 C ATOM 723 CD GLN A 45 -16.343 5.365 6.243 1.00 0.00 C ATOM 724 OE1 GLN A 45 -16.077 6.081 7.209 1.00 0.00 O ATOM 725 NE2 GLN A 45 -16.728 4.101 6.373 1.00 0.00 N ATOM 0 H GLN A 45 -14.514 6.006 1.871 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.309 7.420 4.262 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.348 4.956 3.143 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.570 4.593 4.671 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -16.212 6.988 4.858 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -17.140 5.620 4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -16.938 3.544 5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.813 3.687 7.301 1.00 0.00 H new ATOM 734 N GLN A 46 -11.907 5.246 3.810 1.00 0.00 N ATOM 735 CA GLN A 46 -10.623 4.827 4.343 1.00 0.00 C ATOM 736 C GLN A 46 -9.703 6.025 4.550 1.00 0.00 C ATOM 737 O GLN A 46 -8.912 6.056 5.493 1.00 0.00 O ATOM 738 CB GLN A 46 -9.973 3.819 3.398 1.00 0.00 C ATOM 739 CG GLN A 46 -10.836 2.599 3.120 1.00 0.00 C ATOM 740 CD GLN A 46 -10.981 1.700 4.332 1.00 0.00 C ATOM 741 OE1 GLN A 46 -10.729 2.117 5.462 1.00 0.00 O ATOM 742 NE2 GLN A 46 -11.390 0.458 4.102 1.00 0.00 N ATOM 0 H GLN A 46 -12.153 4.827 2.913 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.788 4.355 5.312 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.744 4.314 2.454 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.025 3.493 3.825 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.824 2.924 2.793 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.400 2.029 2.299 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.588 0.155 3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.507 -0.193 4.879 1.00 0.00 H new ATOM 751 N ILE A 47 -9.811 7.009 3.666 1.00 0.00 N ATOM 752 CA ILE A 47 -8.987 8.208 3.758 1.00 0.00 C ATOM 753 C ILE A 47 -9.400 9.087 4.938 1.00 0.00 C ATOM 754 O ILE A 47 -8.560 9.501 5.736 1.00 0.00 O ATOM 755 CB ILE A 47 -9.058 9.039 2.461 1.00 0.00 C ATOM 756 CG1 ILE A 47 -8.789 8.152 1.243 1.00 0.00 C ATOM 757 CG2 ILE A 47 -8.063 10.190 2.513 1.00 0.00 C ATOM 758 CD1 ILE A 47 -9.397 8.682 -0.038 1.00 0.00 C ATOM 0 H ILE A 47 -10.460 7.001 2.879 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.962 7.869 3.912 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.062 9.454 2.370 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.712 8.050 1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.182 7.154 1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.125 10.767 1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.296 10.835 3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.054 9.794 2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.166 8.003 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.478 8.758 0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.985 9.667 -0.256 1.00 0.00 H new ATOM 770 N GLU A 48 -10.694 9.379 5.039 1.00 0.00 N ATOM 771 CA GLU A 48 -11.208 10.220 6.117 1.00 0.00 C ATOM 772 C GLU A 48 -11.445 9.415 7.395 1.00 0.00 C ATOM 773 O GLU A 48 -11.062 9.838 8.485 1.00 0.00 O ATOM 774 CB GLU A 48 -12.509 10.899 5.686 1.00 0.00 C ATOM 775 CG GLU A 48 -12.868 12.114 6.523 1.00 0.00 C ATOM 776 CD GLU A 48 -11.848 13.230 6.399 1.00 0.00 C ATOM 777 OE1 GLU A 48 -10.839 13.196 7.134 1.00 0.00 O ATOM 778 OE2 GLU A 48 -12.061 14.137 5.568 1.00 0.00 O ATOM 0 H GLU A 48 -11.405 9.046 4.388 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.455 10.979 6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.423 11.200 4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.323 10.176 5.743 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.846 12.485 6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.952 11.818 7.569 1.00 0.00 H new ATOM 785 N ALA A 49 -12.082 8.259 7.252 1.00 0.00 N ATOM 786 CA ALA A 49 -12.378 7.395 8.394 1.00 0.00 C ATOM 787 C ALA A 49 -11.117 7.085 9.194 1.00 0.00 C ATOM 788 O ALA A 49 -11.109 7.186 10.421 1.00 0.00 O ATOM 789 CB ALA A 49 -13.044 6.105 7.929 1.00 0.00 C ATOM 0 H ALA A 49 -12.405 7.895 6.355 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.068 7.929 9.048 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.257 5.474 8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.975 6.341 7.414 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.377 5.576 7.249 1.00 0.00 H new ATOM 795 N ALA A 50 -10.054 6.710 8.493 1.00 0.00 N ATOM 796 CA ALA A 50 -8.788 6.387 9.139 1.00 0.00 C ATOM 797 C ALA A 50 -8.154 7.630 9.755 1.00 0.00 C ATOM 798 O ALA A 50 -7.630 7.587 10.868 1.00 0.00 O ATOM 799 CB ALA A 50 -7.836 5.744 8.143 1.00 0.00 C ATOM 0 H ALA A 50 -10.044 6.622 7.477 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.988 5.678 9.942 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.895 5.508 8.639 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.281 4.828 7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.649 6.434 7.320 1.00 0.00 H new ATOM 805 N ARG A 51 -8.205 8.740 9.023 1.00 0.00 N ATOM 806 CA ARG A 51 -7.636 9.996 9.498 1.00 0.00 C ATOM 807 C ARG A 51 -8.292 10.430 10.805 1.00 0.00 C ATOM 808 O ARG A 51 -7.613 10.846 11.744 1.00 0.00 O ATOM 809 CB ARG A 51 -7.803 11.088 8.437 1.00 0.00 C ATOM 810 CG ARG A 51 -6.485 11.591 7.869 1.00 0.00 C ATOM 811 CD ARG A 51 -6.082 12.919 8.490 1.00 0.00 C ATOM 812 NE ARG A 51 -5.375 13.776 7.540 1.00 0.00 N ATOM 813 CZ ARG A 51 -5.150 15.074 7.738 1.00 0.00 C ATOM 814 NH1 ARG A 51 -5.573 15.667 8.847 1.00 0.00 N ATOM 815 NH2 ARG A 51 -4.500 15.780 6.822 1.00 0.00 N ATOM 0 H ARG A 51 -8.634 8.794 8.099 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.573 9.840 9.683 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.416 10.701 7.623 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.345 11.927 8.873 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.704 10.852 8.049 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.573 11.705 6.789 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.972 13.435 8.851 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.446 12.736 9.356 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.034 13.356 6.675 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.074 15.129 9.554 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.397 16.661 8.993 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.173 15.329 5.968 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.327 16.774 6.972 1.00 0.00 H new ATOM 829 N VAL A 52 -9.617 10.331 10.857 1.00 0.00 N ATOM 830 CA VAL A 52 -10.367 10.713 12.048 1.00 0.00 C ATOM 831 C VAL A 52 -9.905 9.920 13.267 1.00 0.00 C ATOM 832 O VAL A 52 -9.839 10.449 14.376 1.00 0.00 O ATOM 833 CB VAL A 52 -11.880 10.496 11.849 1.00 0.00 C ATOM 834 CG1 VAL A 52 -12.659 10.995 13.058 1.00 0.00 C ATOM 835 CG2 VAL A 52 -12.355 11.184 10.578 1.00 0.00 C ATOM 0 H VAL A 52 -10.193 9.989 10.088 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.178 11.773 12.217 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.063 9.426 11.747 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.725 10.832 12.897 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.339 10.451 13.947 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.472 12.060 13.197 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.425 11.020 10.454 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.157 12.254 10.648 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.823 10.772 9.721 1.00 0.00 H new ATOM 845 N ALA A 53 -9.589 8.647 13.053 1.00 0.00 N ATOM 846 CA ALA A 53 -9.134 7.780 14.133 1.00 0.00 C ATOM 847 C ALA A 53 -7.707 8.118 14.548 1.00 0.00 C ATOM 848 O ALA A 53 -7.369 8.084 15.730 1.00 0.00 O ATOM 849 CB ALA A 53 -9.232 6.322 13.711 1.00 0.00 C ATOM 0 H ALA A 53 -9.640 8.193 12.141 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.781 7.944 14.995 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.890 5.684 14.525 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.268 6.081 13.472 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.609 6.155 12.832 1.00 0.00 H new ATOM 855 N MET A 54 -6.873 8.440 13.565 1.00 0.00 N ATOM 856 CA MET A 54 -5.480 8.781 13.826 1.00 0.00 C ATOM 857 C MET A 54 -5.363 10.138 14.511 1.00 0.00 C ATOM 858 O MET A 54 -4.646 10.284 15.501 1.00 0.00 O ATOM 859 CB MET A 54 -4.685 8.785 12.520 1.00 0.00 C ATOM 860 CG MET A 54 -4.570 7.412 11.883 1.00 0.00 C ATOM 861 SD MET A 54 -3.429 7.387 10.488 1.00 0.00 S ATOM 862 CE MET A 54 -4.507 7.930 9.166 1.00 0.00 C ATOM 0 H MET A 54 -7.138 8.472 12.580 1.00 0.00 H new ATOM 0 HA MET A 54 -5.068 8.026 14.496 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.161 9.466 11.815 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.685 9.173 12.713 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.237 6.695 12.633 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.555 7.088 11.547 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.558 7.158 8.398 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.505 8.114 9.563 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.115 8.849 8.731 1.00 0.00 H new ATOM 872 N VAL A 55 -6.072 11.130 13.981 1.00 0.00 N ATOM 873 CA VAL A 55 -6.045 12.474 14.547 1.00 0.00 C ATOM 874 C VAL A 55 -6.459 12.455 16.014 1.00 0.00 C ATOM 875 O VAL A 55 -5.870 13.146 16.845 1.00 0.00 O ATOM 876 CB VAL A 55 -6.975 13.428 13.773 1.00 0.00 C ATOM 877 CG1 VAL A 55 -6.835 14.852 14.293 1.00 0.00 C ATOM 878 CG2 VAL A 55 -6.685 13.368 12.280 1.00 0.00 C ATOM 0 H VAL A 55 -6.671 11.029 13.162 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.020 12.835 14.464 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.004 13.106 13.932 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.500 15.511 13.734 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.100 14.881 15.350 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.805 15.185 14.168 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.353 14.049 11.752 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.651 13.660 12.098 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.844 12.352 11.919 1.00 0.00 H new ATOM 888 N ARG A 56 -7.475 11.657 16.325 1.00 0.00 N ATOM 889 CA ARG A 56 -7.971 11.545 17.690 1.00 0.00 C ATOM 890 C ARG A 56 -7.025 10.709 18.551 1.00 0.00 C ATOM 891 O ARG A 56 -6.934 10.909 19.761 1.00 0.00 O ATOM 892 CB ARG A 56 -9.368 10.920 17.695 1.00 0.00 C ATOM 893 CG ARG A 56 -10.485 11.931 17.496 1.00 0.00 C ATOM 894 CD ARG A 56 -11.790 11.252 17.114 1.00 0.00 C ATOM 895 NE ARG A 56 -12.954 12.030 17.533 1.00 0.00 N ATOM 896 CZ ARG A 56 -14.180 11.525 17.648 1.00 0.00 C ATOM 897 NH1 ARG A 56 -14.408 10.246 17.378 1.00 0.00 N ATOM 898 NH2 ARG A 56 -15.182 12.301 18.035 1.00 0.00 N ATOM 0 H ARG A 56 -7.971 11.078 15.648 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.024 12.548 18.113 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.424 10.169 16.907 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.522 10.402 18.641 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.626 12.504 18.413 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.201 12.640 16.718 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.821 11.106 16.034 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.831 10.263 17.570 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.819 13.017 17.750 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.641 9.643 17.080 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.350 9.866 17.468 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.014 13.285 18.245 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.122 11.914 18.123 1.00 0.00 H new ATOM 912 N HIS A 57 -6.330 9.769 17.918 1.00 0.00 N ATOM 913 CA HIS A 57 -5.398 8.899 18.627 1.00 0.00 C ATOM 914 C HIS A 57 -4.244 9.697 19.230 1.00 0.00 C ATOM 915 O HIS A 57 -3.944 9.570 20.417 1.00 0.00 O ATOM 916 CB HIS A 57 -4.851 7.825 17.686 1.00 0.00 C ATOM 917 CG HIS A 57 -4.306 6.627 18.400 1.00 0.00 C ATOM 918 ND1 HIS A 57 -5.041 5.896 19.310 1.00 0.00 N ATOM 919 CD2 HIS A 57 -3.091 6.034 18.336 1.00 0.00 C ATOM 920 CE1 HIS A 57 -4.301 4.906 19.775 1.00 0.00 C ATOM 921 NE2 HIS A 57 -3.113 4.967 19.202 1.00 0.00 N ATOM 0 H HIS A 57 -6.395 9.590 16.916 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.944 8.420 19.440 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.645 7.506 17.011 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.064 8.260 17.069 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -6.005 6.090 19.581 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.259 6.342 17.719 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.615 4.171 20.501 1.00 0.00 H new ATOM 930 N PHE A 58 -3.597 10.516 18.406 1.00 0.00 N ATOM 931 CA PHE A 58 -2.471 11.330 18.862 1.00 0.00 C ATOM 932 C PHE A 58 -2.818 12.076 20.148 1.00 0.00 C ATOM 933 O PHE A 58 -3.763 12.863 20.187 1.00 0.00 O ATOM 934 CB PHE A 58 -2.062 12.328 17.775 1.00 0.00 C ATOM 935 CG PHE A 58 -1.838 11.695 16.431 1.00 0.00 C ATOM 936 CD1 PHE A 58 -0.884 10.701 16.263 1.00 0.00 C ATOM 937 CD2 PHE A 58 -2.582 12.096 15.332 1.00 0.00 C ATOM 938 CE1 PHE A 58 -0.680 10.121 15.025 1.00 0.00 C ATOM 939 CE2 PHE A 58 -2.381 11.519 14.093 1.00 0.00 C ATOM 940 CZ PHE A 58 -1.429 10.530 13.940 1.00 0.00 C ATOM 0 H PHE A 58 -3.831 10.635 17.420 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.635 10.662 19.067 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.836 13.090 17.684 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.149 12.836 18.085 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.295 10.377 17.108 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.328 12.869 15.446 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.065 9.348 14.907 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.967 11.841 13.245 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.271 10.077 12.972 1.00 0.00 H new ATOM 950 N ARG A 59 -2.048 11.817 21.201 1.00 0.00 N ATOM 951 CA ARG A 59 -2.272 12.457 22.494 1.00 0.00 C ATOM 952 C ARG A 59 -2.217 13.975 22.373 1.00 0.00 C ATOM 953 O ARG A 59 -3.164 14.673 22.735 1.00 0.00 O ATOM 954 CB ARG A 59 -1.233 11.979 23.509 1.00 0.00 C ATOM 955 CG ARG A 59 -1.411 10.528 23.926 1.00 0.00 C ATOM 956 CD ARG A 59 -0.925 10.294 25.347 1.00 0.00 C ATOM 957 NE ARG A 59 -1.179 8.926 25.795 1.00 0.00 N ATOM 958 CZ ARG A 59 -0.425 7.883 25.459 1.00 0.00 C ATOM 959 NH1 ARG A 59 0.632 8.045 24.672 1.00 0.00 N ATOM 960 NH2 ARG A 59 -0.726 6.674 25.911 1.00 0.00 N ATOM 0 H ARG A 59 -1.262 11.167 21.184 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.267 12.176 22.839 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.237 12.107 23.084 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.285 12.612 24.395 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.463 10.253 23.850 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.862 9.881 23.241 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.144 10.501 25.403 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.421 10.994 26.020 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.982 8.761 26.401 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.870 8.973 24.322 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.206 7.241 24.418 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.536 6.543 26.517 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.148 5.874 25.653 1.00 0.00 H new ATOM 974 N ARG A 60 -1.100 14.476 21.865 1.00 0.00 N ATOM 975 CA ARG A 60 -0.912 15.912 21.696 1.00 0.00 C ATOM 976 C ARG A 60 -1.243 16.344 20.271 1.00 0.00 C ATOM 977 O ARG A 60 -0.635 17.271 19.736 1.00 0.00 O ATOM 978 CB ARG A 60 0.527 16.302 22.038 1.00 0.00 C ATOM 979 CG ARG A 60 0.923 15.971 23.468 1.00 0.00 C ATOM 980 CD ARG A 60 2.326 16.461 23.786 1.00 0.00 C ATOM 981 NE ARG A 60 2.450 16.904 25.173 1.00 0.00 N ATOM 982 CZ ARG A 60 2.030 18.088 25.615 1.00 0.00 C ATOM 983 NH1 ARG A 60 1.460 18.949 24.783 1.00 0.00 N ATOM 984 NH2 ARG A 60 2.181 18.410 26.892 1.00 0.00 N ATOM 0 H ARG A 60 -0.308 13.909 21.562 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.593 16.423 22.377 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.205 15.791 21.354 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.654 17.372 21.873 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.213 16.426 24.158 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.870 14.893 23.621 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.041 15.661 23.596 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.583 17.283 23.118 1.00 0.00 H new ATOM 0 HE ARG A 60 2.884 16.269 25.842 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.342 18.706 23.800 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.140 19.855 25.126 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.619 17.751 27.536 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.859 19.317 27.231 1.00 0.00 H new ATOM 998 N GLY A 61 -2.211 15.668 19.661 1.00 0.00 N ATOM 999 CA GLY A 61 -2.604 15.997 18.304 1.00 0.00 C ATOM 1000 C GLY A 61 -1.520 15.680 17.294 1.00 0.00 C ATOM 1001 O GLY A 61 -0.334 15.679 17.625 1.00 0.00 O ATOM 0 H GLY A 61 -2.730 14.898 20.083 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.508 15.445 18.047 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.850 17.057 18.247 1.00 0.00 H new ATOM 1005 N GLY A 62 -1.927 15.408 16.059 1.00 0.00 N ATOM 1006 CA GLY A 62 -0.968 15.092 15.017 1.00 0.00 C ATOM 1007 C GLY A 62 -1.512 15.356 13.627 1.00 0.00 C ATOM 1008 O GLY A 62 -2.720 15.291 13.402 1.00 0.00 O ATOM 0 H GLY A 62 -2.903 15.401 15.761 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.064 15.683 15.168 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.681 14.044 15.098 1.00 0.00 H new ATOM 1012 N LYS A 63 -0.616 15.652 12.692 1.00 0.00 N ATOM 1013 CA LYS A 63 -1.009 15.926 11.316 1.00 0.00 C ATOM 1014 C LYS A 63 -0.653 14.753 10.408 1.00 0.00 C ATOM 1015 O LYS A 63 0.405 14.142 10.555 1.00 0.00 O ATOM 1016 CB LYS A 63 -0.325 17.199 10.812 1.00 0.00 C ATOM 1017 CG LYS A 63 1.189 17.082 10.723 1.00 0.00 C ATOM 1018 CD LYS A 63 1.857 18.446 10.746 1.00 0.00 C ATOM 1019 CE LYS A 63 3.270 18.386 10.189 1.00 0.00 C ATOM 1020 NZ LYS A 63 4.256 19.026 11.104 1.00 0.00 N ATOM 0 H LYS A 63 0.388 15.708 12.863 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.089 16.068 11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.720 17.448 9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.579 18.025 11.476 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.558 16.481 11.555 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.461 16.558 9.807 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.265 19.152 10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.884 18.821 11.769 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.551 17.346 10.023 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.299 18.883 9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.207 18.964 10.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.003 20.025 11.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.247 18.536 12.021 1.00 0.00 H new ATOM 1034 N ILE A 64 -1.541 14.443 9.469 1.00 0.00 N ATOM 1035 CA ILE A 64 -1.312 13.341 8.541 1.00 0.00 C ATOM 1036 C ILE A 64 -1.340 13.821 7.096 1.00 0.00 C ATOM 1037 O ILE A 64 -2.163 14.658 6.723 1.00 0.00 O ATOM 1038 CB ILE A 64 -2.357 12.217 8.702 1.00 0.00 C ATOM 1039 CG1 ILE A 64 -2.869 12.138 10.143 1.00 0.00 C ATOM 1040 CG2 ILE A 64 -1.761 10.884 8.280 1.00 0.00 C ATOM 1041 CD1 ILE A 64 -3.895 11.046 10.356 1.00 0.00 C ATOM 0 H ILE A 64 -2.423 14.937 9.331 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.326 12.945 8.782 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.205 12.448 8.057 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.025 11.969 10.812 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.307 13.097 10.418 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.507 10.098 8.398 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.452 10.938 7.236 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.896 10.659 8.903 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.215 11.046 11.398 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.756 11.225 9.712 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.454 10.080 10.112 1.00 0.00 H new ATOM 1053 N PHE A 65 -0.443 13.277 6.281 1.00 0.00 N ATOM 1054 CA PHE A 65 -0.370 13.637 4.872 1.00 0.00 C ATOM 1055 C PHE A 65 -0.852 12.479 4.006 1.00 0.00 C ATOM 1056 O PHE A 65 -0.184 11.451 3.900 1.00 0.00 O ATOM 1057 CB PHE A 65 1.063 14.016 4.490 1.00 0.00 C ATOM 1058 CG PHE A 65 1.625 15.142 5.309 1.00 0.00 C ATOM 1059 CD1 PHE A 65 1.457 16.458 4.908 1.00 0.00 C ATOM 1060 CD2 PHE A 65 2.321 14.885 6.479 1.00 0.00 C ATOM 1061 CE1 PHE A 65 1.974 17.497 5.659 1.00 0.00 C ATOM 1062 CE2 PHE A 65 2.839 15.920 7.235 1.00 0.00 C ATOM 1063 CZ PHE A 65 2.665 17.228 6.824 1.00 0.00 C ATOM 0 H PHE A 65 0.245 12.583 6.574 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.016 14.498 4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.704 13.141 4.602 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.088 14.296 3.437 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.916 16.674 3.999 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.460 13.865 6.804 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.838 18.518 5.335 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.379 15.707 8.146 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.069 18.038 7.413 1.00 0.00 H new ATOM 1073 N ILE A 66 -2.020 12.647 3.398 1.00 0.00 N ATOM 1074 CA ILE A 66 -2.595 11.608 2.551 1.00 0.00 C ATOM 1075 C ILE A 66 -2.177 11.787 1.097 1.00 0.00 C ATOM 1076 O ILE A 66 -2.297 12.876 0.535 1.00 0.00 O ATOM 1077 CB ILE A 66 -4.136 11.593 2.634 1.00 0.00 C ATOM 1078 CG1 ILE A 66 -4.609 11.994 4.035 1.00 0.00 C ATOM 1079 CG2 ILE A 66 -4.668 10.217 2.267 1.00 0.00 C ATOM 1080 CD1 ILE A 66 -4.001 11.159 5.142 1.00 0.00 C ATOM 0 H ILE A 66 -2.587 13.491 3.475 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.212 10.657 2.922 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.526 12.321 1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.364 13.042 4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.695 11.908 4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.756 10.219 2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.363 9.968 1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.267 9.476 2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.381 11.499 6.105 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.267 10.112 4.996 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.916 11.264 5.123 1.00 0.00 H new ATOM 1092 N ARG A 67 -1.687 10.710 0.491 1.00 0.00 N ATOM 1093 CA ARG A 67 -1.252 10.745 -0.901 1.00 0.00 C ATOM 1094 C ARG A 67 -2.101 9.817 -1.766 1.00 0.00 C ATOM 1095 O ARG A 67 -1.677 9.399 -2.844 1.00 0.00 O ATOM 1096 CB ARG A 67 0.225 10.353 -1.003 1.00 0.00 C ATOM 1097 CG ARG A 67 1.061 11.341 -1.799 1.00 0.00 C ATOM 1098 CD ARG A 67 1.401 12.573 -0.976 1.00 0.00 C ATOM 1099 NE ARG A 67 2.025 13.618 -1.784 1.00 0.00 N ATOM 1100 CZ ARG A 67 3.303 13.605 -2.154 1.00 0.00 C ATOM 1101 NH1 ARG A 67 4.096 12.605 -1.791 1.00 0.00 N ATOM 1102 NH2 ARG A 67 3.789 14.595 -2.890 1.00 0.00 N ATOM 0 H ARG A 67 -1.581 9.802 0.943 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.378 11.763 -1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.639 10.265 0.001 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.300 9.369 -1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.980 10.858 -2.130 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.518 11.640 -2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.493 12.964 -0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.073 12.293 -0.165 1.00 0.00 H new ATOM 0 HE ARG A 67 1.447 14.404 -2.082 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.727 11.841 -1.225 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.075 12.600 -2.078 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.183 15.366 -3.172 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.769 14.586 -3.174 1.00 0.00 H new ATOM 1116 N ILE A 68 -3.304 9.498 -1.292 1.00 0.00 N ATOM 1117 CA ILE A 68 -4.207 8.623 -2.029 1.00 0.00 C ATOM 1118 C ILE A 68 -5.561 9.294 -2.245 1.00 0.00 C ATOM 1119 O ILE A 68 -6.119 9.895 -1.327 1.00 0.00 O ATOM 1120 CB ILE A 68 -4.417 7.280 -1.299 1.00 0.00 C ATOM 1121 CG1 ILE A 68 -5.108 7.499 0.048 1.00 0.00 C ATOM 1122 CG2 ILE A 68 -3.086 6.569 -1.104 1.00 0.00 C ATOM 1123 CD1 ILE A 68 -5.432 6.213 0.777 1.00 0.00 C ATOM 0 H ILE A 68 -3.673 9.833 -0.402 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.741 8.427 -2.995 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.060 6.652 -1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.467 8.114 0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.030 8.059 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.251 5.623 -0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.630 6.377 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.422 7.196 -0.509 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.920 6.444 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.098 5.605 0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.511 5.662 0.969 1.00 0.00 H new ATOM 1135 N PHE A 69 -6.081 9.188 -3.463 1.00 0.00 N ATOM 1136 CA PHE A 69 -7.368 9.788 -3.794 1.00 0.00 C ATOM 1137 C PHE A 69 -8.226 8.821 -4.608 1.00 0.00 C ATOM 1138 O PHE A 69 -7.715 8.085 -5.452 1.00 0.00 O ATOM 1139 CB PHE A 69 -7.163 11.088 -4.573 1.00 0.00 C ATOM 1140 CG PHE A 69 -8.061 12.205 -4.123 1.00 0.00 C ATOM 1141 CD1 PHE A 69 -8.224 12.480 -2.775 1.00 0.00 C ATOM 1142 CD2 PHE A 69 -8.742 12.980 -5.049 1.00 0.00 C ATOM 1143 CE1 PHE A 69 -9.048 13.508 -2.358 1.00 0.00 C ATOM 1144 CE2 PHE A 69 -9.568 14.009 -4.638 1.00 0.00 C ATOM 1145 CZ PHE A 69 -9.722 14.273 -3.290 1.00 0.00 C ATOM 0 H PHE A 69 -5.633 8.694 -4.235 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.888 10.010 -2.862 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.125 11.404 -4.471 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.335 10.898 -5.632 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -7.701 11.884 -2.042 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.626 12.777 -6.103 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.165 13.713 -1.304 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.093 14.606 -5.369 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.368 15.076 -2.966 1.00 0.00 H new ATOM 1155 N PRO A 70 -9.549 8.809 -4.366 1.00 0.00 N ATOM 1156 CA PRO A 70 -10.474 7.927 -5.082 1.00 0.00 C ATOM 1157 C PRO A 70 -10.722 8.388 -6.515 1.00 0.00 C ATOM 1158 O PRO A 70 -11.417 9.377 -6.747 1.00 0.00 O ATOM 1159 CB PRO A 70 -11.759 8.023 -4.260 1.00 0.00 C ATOM 1160 CG PRO A 70 -11.702 9.374 -3.635 1.00 0.00 C ATOM 1161 CD PRO A 70 -10.247 9.655 -3.376 1.00 0.00 C ATOM 0 HA PRO A 70 -10.084 6.913 -5.173 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.642 7.914 -4.890 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.807 7.238 -3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -12.132 10.127 -4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.274 9.398 -2.708 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.012 10.710 -3.513 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.964 9.395 -2.356 1.00 0.00 H new ATOM 1539 N VAL A 94 -12.590 4.465 -5.389 1.00 0.00 N ATOM 1540 CA VAL A 94 -11.458 3.931 -4.639 1.00 0.00 C ATOM 1541 C VAL A 94 -10.133 4.368 -5.250 1.00 0.00 C ATOM 1542 O VAL A 94 -10.101 4.992 -6.311 1.00 0.00 O ATOM 1543 CB VAL A 94 -11.492 2.391 -4.578 1.00 0.00 C ATOM 1544 CG1 VAL A 94 -12.410 1.915 -3.463 1.00 0.00 C ATOM 1545 CG2 VAL A 94 -11.919 1.808 -5.918 1.00 0.00 C ATOM 0 HA VAL A 94 -11.541 4.331 -3.628 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.484 2.037 -4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.418 0.825 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.050 2.296 -2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.421 2.282 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.936 0.720 -5.853 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.914 2.172 -6.173 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.213 2.114 -6.690 1.00 0.00 H new ATOM 1555 N ALA A 95 -9.040 4.030 -4.574 1.00 0.00 N ATOM 1556 CA ALA A 95 -7.706 4.378 -5.047 1.00 0.00 C ATOM 1557 C ALA A 95 -6.822 3.139 -5.132 1.00 0.00 C ATOM 1558 O ALA A 95 -6.368 2.617 -4.113 1.00 0.00 O ATOM 1559 CB ALA A 95 -7.076 5.419 -4.133 1.00 0.00 C ATOM 0 H ALA A 95 -9.053 3.514 -3.694 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.796 4.801 -6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.080 5.669 -4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.695 6.316 -4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.001 5.018 -3.122 1.00 0.00 H new ATOM 1565 N VAL A 96 -6.588 2.667 -6.352 1.00 0.00 N ATOM 1566 CA VAL A 96 -5.763 1.482 -6.567 1.00 0.00 C ATOM 1567 C VAL A 96 -4.354 1.683 -6.023 1.00 0.00 C ATOM 1568 O VAL A 96 -3.695 2.677 -6.325 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.678 1.108 -8.060 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -5.147 -0.307 -8.222 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -7.037 1.253 -8.730 1.00 0.00 C ATOM 0 H VAL A 96 -6.957 3.085 -7.206 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.245 0.667 -6.027 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.986 1.794 -8.548 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.093 -0.556 -9.282 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.152 -0.375 -7.782 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.815 -1.006 -7.719 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.954 0.984 -9.783 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.755 0.594 -8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.376 2.285 -8.645 1.00 0.00 H new ATOM 1581 N VAL A 97 -3.901 0.730 -5.217 1.00 0.00 N ATOM 1582 CA VAL A 97 -2.571 0.794 -4.625 1.00 0.00 C ATOM 1583 C VAL A 97 -1.779 -0.479 -4.910 1.00 0.00 C ATOM 1584 O VAL A 97 -2.351 -1.510 -5.258 1.00 0.00 O ATOM 1585 CB VAL A 97 -2.647 0.999 -3.099 1.00 0.00 C ATOM 1586 CG1 VAL A 97 -1.273 1.319 -2.534 1.00 0.00 C ATOM 1587 CG2 VAL A 97 -3.639 2.097 -2.750 1.00 0.00 C ATOM 0 H VAL A 97 -4.437 -0.098 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.064 1.646 -5.079 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.996 0.070 -2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.347 1.460 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.591 0.495 -2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.894 2.231 -2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.676 2.224 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.325 3.032 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.628 1.824 -3.117 1.00 0.00 H new ATOM 1597 N LYS A 98 -0.461 -0.399 -4.753 1.00 0.00 N ATOM 1598 CA LYS A 98 0.412 -1.545 -4.982 1.00 0.00 C ATOM 1599 C LYS A 98 1.368 -1.731 -3.806 1.00 0.00 C ATOM 1600 O LYS A 98 1.647 -0.784 -3.072 1.00 0.00 O ATOM 1601 CB LYS A 98 1.206 -1.361 -6.278 1.00 0.00 C ATOM 1602 CG LYS A 98 1.994 -0.061 -6.328 1.00 0.00 C ATOM 1603 CD LYS A 98 3.420 -0.290 -6.807 1.00 0.00 C ATOM 1604 CE LYS A 98 4.295 0.926 -6.551 1.00 0.00 C ATOM 1605 NZ LYS A 98 5.366 1.066 -7.576 1.00 0.00 N ATOM 0 H LYS A 98 0.027 0.450 -4.467 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.209 -2.436 -5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.894 -2.198 -6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.519 -1.393 -7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.494 0.643 -6.994 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.011 0.394 -5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.841 -1.157 -6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.415 -0.518 -7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.677 1.824 -6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.747 0.846 -5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.940 1.907 -7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.972 0.221 -7.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.935 1.168 -8.517 1.00 0.00 H new ATOM 1619 N PRO A 99 1.887 -2.956 -3.606 1.00 0.00 N ATOM 1620 CA PRO A 99 2.816 -3.243 -2.508 1.00 0.00 C ATOM 1621 C PRO A 99 3.972 -2.252 -2.465 1.00 0.00 C ATOM 1622 O PRO A 99 4.736 -2.131 -3.423 1.00 0.00 O ATOM 1623 CB PRO A 99 3.319 -4.651 -2.822 1.00 0.00 C ATOM 1624 CG PRO A 99 2.238 -5.269 -3.640 1.00 0.00 C ATOM 1625 CD PRO A 99 1.617 -4.148 -4.430 1.00 0.00 C ATOM 0 HA PRO A 99 2.337 -3.164 -1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.261 -4.621 -3.369 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.498 -5.219 -1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.641 -6.036 -4.302 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.497 -5.754 -3.004 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.063 -4.060 -5.421 1.00 0.00 H new ATOM 0 HD3 PRO A 99 0.548 -4.303 -4.574 1.00 0.00 H new ATOM 1633 N GLY A 100 4.085 -1.537 -1.352 1.00 0.00 N ATOM 1634 CA GLY A 100 5.139 -0.554 -1.208 1.00 0.00 C ATOM 1635 C GLY A 100 4.659 0.842 -1.550 1.00 0.00 C ATOM 1636 O GLY A 100 5.407 1.645 -2.104 1.00 0.00 O ATOM 0 H GLY A 100 3.465 -1.621 -0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.512 -0.569 -0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.974 -0.820 -1.856 1.00 0.00 H new ATOM 1640 N ARG A 101 3.399 1.123 -1.229 1.00 0.00 N ATOM 1641 CA ARG A 101 2.809 2.428 -1.515 1.00 0.00 C ATOM 1642 C ARG A 101 2.478 3.186 -0.231 1.00 0.00 C ATOM 1643 O ARG A 101 1.703 2.711 0.598 1.00 0.00 O ATOM 1644 CB ARG A 101 1.540 2.257 -2.351 1.00 0.00 C ATOM 1645 CG ARG A 101 1.727 2.588 -3.821 1.00 0.00 C ATOM 1646 CD ARG A 101 1.963 4.074 -4.026 1.00 0.00 C ATOM 1647 NE ARG A 101 1.395 4.554 -5.284 1.00 0.00 N ATOM 1648 CZ ARG A 101 0.107 4.844 -5.453 1.00 0.00 C ATOM 1649 NH1 ARG A 101 -0.751 4.696 -4.451 1.00 0.00 N ATOM 1650 NH2 ARG A 101 -0.324 5.282 -6.627 1.00 0.00 N ATOM 0 H ARG A 101 2.767 0.466 -0.771 1.00 0.00 H new ATOM 0 HA ARG A 101 3.542 3.009 -2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.192 1.228 -2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.757 2.895 -1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.572 2.025 -4.218 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.845 2.277 -4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.524 4.628 -3.196 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.034 4.275 -4.012 1.00 0.00 H new ATOM 0 HE ARG A 101 2.022 4.674 -6.079 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.424 4.358 -3.546 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.737 4.920 -4.586 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.331 5.397 -7.400 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.311 5.504 -6.757 1.00 0.00 H new ATOM 1664 N VAL A 102 3.057 4.373 -0.084 1.00 0.00 N ATOM 1665 CA VAL A 102 2.809 5.203 1.091 1.00 0.00 C ATOM 1666 C VAL A 102 1.450 5.887 0.981 1.00 0.00 C ATOM 1667 O VAL A 102 1.279 6.824 0.200 1.00 0.00 O ATOM 1668 CB VAL A 102 3.902 6.278 1.270 1.00 0.00 C ATOM 1669 CG1 VAL A 102 3.837 6.878 2.668 1.00 0.00 C ATOM 1670 CG2 VAL A 102 5.285 5.698 0.994 1.00 0.00 C ATOM 0 H VAL A 102 3.700 4.782 -0.762 1.00 0.00 H new ATOM 0 HA VAL A 102 2.824 4.545 1.960 1.00 0.00 H new ATOM 0 HB VAL A 102 3.720 7.073 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.615 7.634 2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.861 7.338 2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.989 6.093 3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.038 6.475 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.481 4.880 1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.325 5.324 -0.029 1.00 0.00 H new ATOM 1680 N MET A 103 0.482 5.404 1.754 1.00 0.00 N ATOM 1681 CA MET A 103 -0.865 5.964 1.727 1.00 0.00 C ATOM 1682 C MET A 103 -1.045 7.044 2.790 1.00 0.00 C ATOM 1683 O MET A 103 -1.800 7.996 2.597 1.00 0.00 O ATOM 1684 CB MET A 103 -1.900 4.856 1.935 1.00 0.00 C ATOM 1685 CG MET A 103 -1.650 3.621 1.084 1.00 0.00 C ATOM 1686 SD MET A 103 -2.860 2.316 1.381 1.00 0.00 S ATOM 1687 CE MET A 103 -2.166 1.535 2.836 1.00 0.00 C ATOM 0 H MET A 103 0.605 4.628 2.405 1.00 0.00 H new ATOM 0 HA MET A 103 -1.013 6.423 0.750 1.00 0.00 H new ATOM 0 HB2 MET A 103 -1.905 4.568 2.986 1.00 0.00 H new ATOM 0 HB3 MET A 103 -2.891 5.249 1.708 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.673 3.900 0.030 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.651 3.238 1.291 1.00 0.00 H new ATOM 0 HE1 MET A 103 -2.369 0.464 2.806 1.00 0.00 H new ATOM 0 HE2 MET A 103 -1.089 1.700 2.859 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.618 1.965 3.730 1.00 0.00 H new ATOM 1697 N PHE A 104 -0.358 6.887 3.916 1.00 0.00 N ATOM 1698 CA PHE A 104 -0.458 7.849 5.007 1.00 0.00 C ATOM 1699 C PHE A 104 0.921 8.261 5.511 1.00 0.00 C ATOM 1700 O PHE A 104 1.894 7.527 5.351 1.00 0.00 O ATOM 1701 CB PHE A 104 -1.276 7.255 6.151 1.00 0.00 C ATOM 1702 CG PHE A 104 -2.736 7.114 5.831 1.00 0.00 C ATOM 1703 CD1 PHE A 104 -3.190 6.059 5.056 1.00 0.00 C ATOM 1704 CD2 PHE A 104 -3.653 8.037 6.303 1.00 0.00 C ATOM 1705 CE1 PHE A 104 -4.533 5.927 4.760 1.00 0.00 C ATOM 1706 CE2 PHE A 104 -4.997 7.913 6.012 1.00 0.00 C ATOM 1707 CZ PHE A 104 -5.439 6.855 5.239 1.00 0.00 C ATOM 0 H PHE A 104 0.272 6.106 4.097 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.958 8.740 4.628 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.872 6.276 6.406 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.164 7.886 7.033 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.486 5.332 4.679 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.313 8.865 6.907 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.875 5.100 4.155 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.701 8.641 6.387 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.490 6.754 5.010 1.00 0.00 H new ATOM 1717 N GLU A 105 0.994 9.442 6.121 1.00 0.00 N ATOM 1718 CA GLU A 105 2.252 9.960 6.650 1.00 0.00 C ATOM 1719 C GLU A 105 1.999 10.933 7.799 1.00 0.00 C ATOM 1720 O GLU A 105 1.329 11.950 7.625 1.00 0.00 O ATOM 1721 CB GLU A 105 3.044 10.665 5.546 1.00 0.00 C ATOM 1722 CG GLU A 105 3.693 9.717 4.551 1.00 0.00 C ATOM 1723 CD GLU A 105 2.988 9.706 3.207 1.00 0.00 C ATOM 1724 OE1 GLU A 105 1.854 9.189 3.136 1.00 0.00 O ATOM 1725 OE2 GLU A 105 3.569 10.218 2.228 1.00 0.00 O ATOM 0 H GLU A 105 0.194 10.059 6.261 1.00 0.00 H new ATOM 0 HA GLU A 105 2.831 9.117 7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.377 11.339 5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.818 11.280 6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.735 10.004 4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.694 8.708 4.964 1.00 0.00 H new ATOM 1732 N VAL A 106 2.543 10.621 8.974 1.00 0.00 N ATOM 1733 CA VAL A 106 2.375 11.481 10.142 1.00 0.00 C ATOM 1734 C VAL A 106 3.697 12.121 10.550 1.00 0.00 C ATOM 1735 O VAL A 106 4.769 11.644 10.178 1.00 0.00 O ATOM 1736 CB VAL A 106 1.795 10.710 11.345 1.00 0.00 C ATOM 1737 CG1 VAL A 106 0.411 10.174 11.020 1.00 0.00 C ATOM 1738 CG2 VAL A 106 2.727 9.583 11.767 1.00 0.00 C ATOM 0 H VAL A 106 3.101 9.784 9.141 1.00 0.00 H new ATOM 0 HA VAL A 106 1.669 12.260 9.853 1.00 0.00 H new ATOM 0 HB VAL A 106 1.705 11.403 12.182 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.019 9.633 11.881 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.253 11.004 10.779 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.473 9.500 10.166 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.296 9.054 12.617 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.858 8.889 10.937 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.695 9.998 12.050 1.00 0.00 H new ATOM 1748 N ALA A 107 3.614 13.205 11.313 1.00 0.00 N ATOM 1749 CA ALA A 107 4.804 13.913 11.769 1.00 0.00 C ATOM 1750 C ALA A 107 4.539 14.653 13.077 1.00 0.00 C ATOM 1751 O ALA A 107 3.452 15.190 13.289 1.00 0.00 O ATOM 1752 CB ALA A 107 5.278 14.886 10.699 1.00 0.00 C ATOM 0 H ALA A 107 2.734 13.613 11.629 1.00 0.00 H new ATOM 0 HA ALA A 107 5.586 13.177 11.952 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.167 15.409 11.051 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.517 14.337 9.788 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.490 15.610 10.491 1.00 0.00 H new ATOM 1758 N GLY A 108 5.543 14.683 13.948 1.00 0.00 N ATOM 1759 CA GLY A 108 5.399 15.366 15.220 1.00 0.00 C ATOM 1760 C GLY A 108 5.021 14.431 16.351 1.00 0.00 C ATOM 1761 O GLY A 108 5.438 14.629 17.492 1.00 0.00 O ATOM 0 H GLY A 108 6.452 14.247 13.796 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.336 15.866 15.466 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.639 16.141 15.127 1.00 0.00 H new ATOM 1765 N VAL A 109 4.223 13.413 16.042 1.00 0.00 N ATOM 1766 CA VAL A 109 3.788 12.454 17.050 1.00 0.00 C ATOM 1767 C VAL A 109 4.880 11.433 17.352 1.00 0.00 C ATOM 1768 O VAL A 109 5.730 11.149 16.509 1.00 0.00 O ATOM 1769 CB VAL A 109 2.511 11.714 16.612 1.00 0.00 C ATOM 1770 CG1 VAL A 109 1.352 12.690 16.489 1.00 0.00 C ATOM 1771 CG2 VAL A 109 2.740 10.967 15.305 1.00 0.00 C ATOM 0 H VAL A 109 3.866 13.232 15.104 1.00 0.00 H new ATOM 0 HA VAL A 109 3.573 13.025 17.953 1.00 0.00 H new ATOM 0 HB VAL A 109 2.258 10.978 17.375 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.456 12.153 16.179 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.174 13.167 17.453 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.594 13.451 15.747 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.824 10.452 15.015 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.020 11.675 14.525 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.540 10.238 15.438 1.00 0.00 H new ATOM 1781 N THR A 110 4.847 10.884 18.563 1.00 0.00 N ATOM 1782 CA THR A 110 5.832 9.894 18.980 1.00 0.00 C ATOM 1783 C THR A 110 5.677 8.602 18.184 1.00 0.00 C ATOM 1784 O THR A 110 4.667 8.393 17.512 1.00 0.00 O ATOM 1785 CB THR A 110 5.694 9.603 20.475 1.00 0.00 C ATOM 1786 OG1 THR A 110 4.427 9.039 20.762 1.00 0.00 O ATOM 1787 CG2 THR A 110 5.853 10.835 21.341 1.00 0.00 C ATOM 0 H THR A 110 4.149 11.109 19.272 1.00 0.00 H new ATOM 0 HA THR A 110 6.824 10.303 18.786 1.00 0.00 H new ATOM 0 HB THR A 110 6.499 8.906 20.709 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.359 8.859 21.723 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.744 10.559 22.390 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.840 11.268 21.180 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.089 11.566 21.077 1.00 0.00 H new ATOM 1795 N GLU A 111 6.684 7.740 18.262 1.00 0.00 N ATOM 1796 CA GLU A 111 6.662 6.468 17.548 1.00 0.00 C ATOM 1797 C GLU A 111 5.473 5.616 17.982 1.00 0.00 C ATOM 1798 O GLU A 111 4.843 4.950 17.163 1.00 0.00 O ATOM 1799 CB GLU A 111 7.965 5.704 17.788 1.00 0.00 C ATOM 1800 CG GLU A 111 8.038 4.377 17.050 1.00 0.00 C ATOM 1801 CD GLU A 111 9.414 3.746 17.119 1.00 0.00 C ATOM 1802 OE1 GLU A 111 10.274 4.104 16.287 1.00 0.00 O ATOM 1803 OE2 GLU A 111 9.633 2.894 18.006 1.00 0.00 O ATOM 0 H GLU A 111 7.527 7.899 18.813 1.00 0.00 H new ATOM 0 HA GLU A 111 6.562 6.681 16.484 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.804 6.328 17.480 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.078 5.522 18.857 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.306 3.690 17.473 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.765 4.531 16.006 1.00 0.00 H new ATOM 1810 N GLU A 112 5.174 5.641 19.277 1.00 0.00 N ATOM 1811 CA GLU A 112 4.063 4.867 19.819 1.00 0.00 C ATOM 1812 C GLU A 112 2.728 5.366 19.275 1.00 0.00 C ATOM 1813 O GLU A 112 1.880 4.576 18.863 1.00 0.00 O ATOM 1814 CB GLU A 112 4.062 4.939 21.347 1.00 0.00 C ATOM 1815 CG GLU A 112 3.659 3.636 22.018 1.00 0.00 C ATOM 1816 CD GLU A 112 3.974 3.622 23.500 1.00 0.00 C ATOM 1817 OE1 GLU A 112 3.454 4.494 24.227 1.00 0.00 O ATOM 1818 OE2 GLU A 112 4.743 2.737 23.935 1.00 0.00 O ATOM 0 H GLU A 112 5.685 6.188 19.970 1.00 0.00 H new ATOM 0 HA GLU A 112 4.194 3.830 19.509 1.00 0.00 H new ATOM 0 HB2 GLU A 112 5.057 5.222 21.690 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.380 5.728 21.665 1.00 0.00 H new ATOM 0 HG2 GLU A 112 2.591 3.474 21.876 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.175 2.807 21.533 1.00 0.00 H new ATOM 1825 N GLN A 113 2.545 6.683 19.278 1.00 0.00 N ATOM 1826 CA GLN A 113 1.310 7.284 18.786 1.00 0.00 C ATOM 1827 C GLN A 113 1.255 7.256 17.263 1.00 0.00 C ATOM 1828 O GLN A 113 0.197 7.038 16.672 1.00 0.00 O ATOM 1829 CB GLN A 113 1.185 8.724 19.286 1.00 0.00 C ATOM 1830 CG GLN A 113 1.193 8.841 20.801 1.00 0.00 C ATOM 1831 CD GLN A 113 0.018 8.132 21.446 1.00 0.00 C ATOM 1832 OE1 GLN A 113 0.196 7.215 22.248 1.00 0.00 O ATOM 1833 NE2 GLN A 113 -1.192 8.554 21.099 1.00 0.00 N ATOM 0 H GLN A 113 3.235 7.354 19.615 1.00 0.00 H new ATOM 0 HA GLN A 113 0.475 6.698 19.170 1.00 0.00 H new ATOM 0 HB2 GLN A 113 2.006 9.314 18.879 1.00 0.00 H new ATOM 0 HB3 GLN A 113 0.261 9.155 18.901 1.00 0.00 H new ATOM 0 HG2 GLN A 113 2.122 8.424 21.189 1.00 0.00 H new ATOM 0 HG3 GLN A 113 1.175 9.894 21.081 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -1.294 9.318 20.430 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -2.020 8.115 21.501 1.00 0.00 H new ATOM 1842 N ALA A 114 2.402 7.482 16.634 1.00 0.00 N ATOM 1843 CA ALA A 114 2.489 7.488 15.179 1.00 0.00 C ATOM 1844 C ALA A 114 2.326 6.085 14.605 1.00 0.00 C ATOM 1845 O ALA A 114 1.554 5.874 13.669 1.00 0.00 O ATOM 1846 CB ALA A 114 3.815 8.085 14.742 1.00 0.00 C ATOM 0 H ALA A 114 3.286 7.664 17.110 1.00 0.00 H new ATOM 0 HA ALA A 114 1.674 8.101 14.794 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.872 8.086 13.654 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.893 9.108 15.110 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.633 7.490 15.148 1.00 0.00 H new ATOM 1852 N MET A 115 3.056 5.130 15.170 1.00 0.00 N ATOM 1853 CA MET A 115 2.989 3.747 14.709 1.00 0.00 C ATOM 1854 C MET A 115 1.585 3.183 14.887 1.00 0.00 C ATOM 1855 O MET A 115 1.045 2.540 13.987 1.00 0.00 O ATOM 1856 CB MET A 115 4.001 2.885 15.468 1.00 0.00 C ATOM 1857 CG MET A 115 5.448 3.204 15.123 1.00 0.00 C ATOM 1858 SD MET A 115 6.266 1.864 14.235 1.00 0.00 S ATOM 1859 CE MET A 115 7.484 2.777 13.291 1.00 0.00 C ATOM 0 H MET A 115 3.699 5.287 15.946 1.00 0.00 H new ATOM 0 HA MET A 115 3.234 3.731 13.647 1.00 0.00 H new ATOM 0 HB2 MET A 115 3.852 3.022 16.539 1.00 0.00 H new ATOM 0 HB3 MET A 115 3.807 1.835 15.251 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.481 4.109 14.517 1.00 0.00 H new ATOM 0 HG3 MET A 115 5.998 3.415 16.040 1.00 0.00 H new ATOM 0 HE1 MET A 115 7.911 2.129 12.526 1.00 0.00 H new ATOM 0 HE2 MET A 115 7.008 3.635 12.816 1.00 0.00 H new ATOM 0 HE3 MET A 115 8.275 3.123 13.956 1.00 0.00 H new ATOM 1869 N GLU A 116 0.994 3.432 16.052 1.00 0.00 N ATOM 1870 CA GLU A 116 -0.350 2.950 16.341 1.00 0.00 C ATOM 1871 C GLU A 116 -1.364 3.593 15.402 1.00 0.00 C ATOM 1872 O GLU A 116 -2.194 2.908 14.806 1.00 0.00 O ATOM 1873 CB GLU A 116 -0.722 3.245 17.795 1.00 0.00 C ATOM 1874 CG GLU A 116 -1.716 2.255 18.381 1.00 0.00 C ATOM 1875 CD GLU A 116 -1.557 2.088 19.878 1.00 0.00 C ATOM 1876 OE1 GLU A 116 -0.496 1.592 20.312 1.00 0.00 O ATOM 1877 OE2 GLU A 116 -2.495 2.453 20.620 1.00 0.00 O ATOM 0 H GLU A 116 1.425 3.964 16.809 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.366 1.871 16.186 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.184 3.240 18.401 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -1.142 4.249 17.858 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.730 2.591 18.162 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.589 1.287 17.896 1.00 0.00 H new ATOM 1884 N ALA A 117 -1.289 4.914 15.273 1.00 0.00 N ATOM 1885 CA ALA A 117 -2.201 5.648 14.402 1.00 0.00 C ATOM 1886 C ALA A 117 -2.105 5.148 12.966 1.00 0.00 C ATOM 1887 O ALA A 117 -3.117 4.860 12.328 1.00 0.00 O ATOM 1888 CB ALA A 117 -1.903 7.138 14.466 1.00 0.00 C ATOM 0 H ALA A 117 -0.608 5.497 15.759 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.219 5.477 14.752 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.590 7.675 13.812 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.027 7.490 15.490 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.878 7.318 14.142 1.00 0.00 H new ATOM 1894 N LEU A 118 -0.879 5.036 12.464 1.00 0.00 N ATOM 1895 CA LEU A 118 -0.654 4.561 11.104 1.00 0.00 C ATOM 1896 C LEU A 118 -1.208 3.151 10.935 1.00 0.00 C ATOM 1897 O LEU A 118 -1.686 2.783 9.862 1.00 0.00 O ATOM 1898 CB LEU A 118 0.843 4.584 10.774 1.00 0.00 C ATOM 1899 CG LEU A 118 1.359 5.860 10.093 1.00 0.00 C ATOM 1900 CD1 LEU A 118 0.495 7.064 10.441 1.00 0.00 C ATOM 1901 CD2 LEU A 118 2.806 6.118 10.486 1.00 0.00 C ATOM 0 H LEU A 118 -0.028 5.267 12.977 1.00 0.00 H new ATOM 0 HA LEU A 118 -1.175 5.225 10.414 1.00 0.00 H new ATOM 0 HB2 LEU A 118 1.402 4.437 11.698 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.066 3.735 10.128 1.00 0.00 H new ATOM 0 HG LEU A 118 1.304 5.710 9.015 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.888 7.950 9.943 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.528 6.885 10.110 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.506 7.220 11.520 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.160 7.025 9.996 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.873 6.239 11.567 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.423 5.275 10.176 1.00 0.00 H new ATOM 1913 N ARG A 119 -1.148 2.369 12.009 1.00 0.00 N ATOM 1914 CA ARG A 119 -1.650 1.001 11.989 1.00 0.00 C ATOM 1915 C ARG A 119 -3.176 0.988 12.017 1.00 0.00 C ATOM 1916 O ARG A 119 -3.812 0.182 11.338 1.00 0.00 O ATOM 1917 CB ARG A 119 -1.091 0.215 13.177 1.00 0.00 C ATOM 1918 CG ARG A 119 -0.294 -1.013 12.770 1.00 0.00 C ATOM 1919 CD ARG A 119 1.167 -0.894 13.178 1.00 0.00 C ATOM 1920 NE ARG A 119 2.032 -1.756 12.377 1.00 0.00 N ATOM 1921 CZ ARG A 119 2.185 -3.061 12.593 1.00 0.00 C ATOM 1922 NH1 ARG A 119 1.532 -3.658 13.583 1.00 0.00 N ATOM 1923 NH2 ARG A 119 2.992 -3.771 11.817 1.00 0.00 N ATOM 0 H ARG A 119 -0.756 2.661 12.904 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.319 0.525 11.066 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -0.454 0.872 13.770 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -1.916 -0.093 13.819 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -0.730 -1.899 13.231 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -0.361 -1.149 11.691 1.00 0.00 H new ATOM 0 HD2 ARG A 119 1.489 0.142 13.072 1.00 0.00 H new ATOM 0 HD3 ARG A 119 1.271 -1.154 14.231 1.00 0.00 H new ATOM 0 HE ARG A 119 2.550 -1.333 11.606 1.00 0.00 H new ATOM 0 HH11 ARG A 119 0.909 -3.117 14.183 1.00 0.00 H new ATOM 0 HH12 ARG A 119 1.653 -4.658 13.744 1.00 0.00 H new ATOM 0 HH21 ARG A 119 3.496 -3.318 11.055 1.00 0.00 H new ATOM 0 HH22 ARG A 119 3.109 -4.771 11.982 1.00 0.00 H new ATOM 1937 N ILE A 120 -3.756 1.893 12.802 1.00 0.00 N ATOM 1938 CA ILE A 120 -5.207 1.992 12.913 1.00 0.00 C ATOM 1939 C ILE A 120 -5.840 2.190 11.539 1.00 0.00 C ATOM 1940 O ILE A 120 -6.956 1.734 11.285 1.00 0.00 O ATOM 1941 CB ILE A 120 -5.619 3.156 13.844 1.00 0.00 C ATOM 1942 CG1 ILE A 120 -5.174 2.868 15.279 1.00 0.00 C ATOM 1943 CG2 ILE A 120 -7.124 3.390 13.795 1.00 0.00 C ATOM 1944 CD1 ILE A 120 -4.913 4.118 16.091 1.00 0.00 C ATOM 0 H ILE A 120 -3.243 2.567 13.370 1.00 0.00 H new ATOM 0 HA ILE A 120 -5.567 1.057 13.343 1.00 0.00 H new ATOM 0 HB ILE A 120 -5.124 4.062 13.494 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -5.941 2.274 15.777 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.267 2.263 15.256 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.386 4.214 14.459 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -7.421 3.637 12.776 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.643 2.487 14.115 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.601 3.839 17.098 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.125 4.703 15.616 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -5.824 4.714 16.145 1.00 0.00 H new ATOM 1956 N ALA A 121 -5.117 2.868 10.655 1.00 0.00 N ATOM 1957 CA ALA A 121 -5.602 3.119 9.305 1.00 0.00 C ATOM 1958 C ALA A 121 -5.584 1.839 8.478 1.00 0.00 C ATOM 1959 O ALA A 121 -6.550 1.524 7.783 1.00 0.00 O ATOM 1960 CB ALA A 121 -4.763 4.197 8.635 1.00 0.00 C ATOM 0 H ALA A 121 -4.193 3.253 10.850 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.633 3.468 9.369 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.137 4.374 7.627 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.826 5.119 9.213 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -3.724 3.871 8.585 1.00 0.00 H new ATOM 1966 N GLY A 122 -4.480 1.104 8.564 1.00 0.00 N ATOM 1967 CA GLY A 122 -4.355 -0.137 7.823 1.00 0.00 C ATOM 1968 C GLY A 122 -5.237 -1.238 8.379 1.00 0.00 C ATOM 1969 O GLY A 122 -5.606 -2.167 7.663 1.00 0.00 O ATOM 0 H GLY A 122 -3.669 1.346 9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.615 0.039 6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.316 -0.464 7.842 1.00 0.00 H new ATOM 1973 N HIS A 123 -5.578 -1.133 9.661 1.00 0.00 N ATOM 1974 CA HIS A 123 -6.424 -2.130 10.309 1.00 0.00 C ATOM 1975 C HIS A 123 -7.762 -2.257 9.588 1.00 0.00 C ATOM 1976 O HIS A 123 -8.270 -3.360 9.390 1.00 0.00 O ATOM 1977 CB HIS A 123 -6.655 -1.759 11.775 1.00 0.00 C ATOM 1978 CG HIS A 123 -6.838 -2.946 12.670 1.00 0.00 C ATOM 1979 ND1 HIS A 123 -7.407 -4.128 12.245 1.00 0.00 N ATOM 1980 CD2 HIS A 123 -6.523 -3.129 13.974 1.00 0.00 C ATOM 1981 CE1 HIS A 123 -7.435 -4.987 13.250 1.00 0.00 C ATOM 1982 NE2 HIS A 123 -6.904 -4.405 14.309 1.00 0.00 N ATOM 0 H HIS A 123 -5.282 -0.370 10.270 1.00 0.00 H new ATOM 0 HA HIS A 123 -5.912 -3.091 10.262 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -5.808 -1.173 12.131 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -7.536 -1.121 11.846 1.00 0.00 H new ATOM 0 HD1 HIS A 123 -7.752 -4.311 11.303 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -6.059 -2.406 14.629 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -7.826 -5.993 13.211 1.00 0.00 H new ATOM 1991 N LYS A 124 -8.325 -1.119 9.195 1.00 0.00 N ATOM 1992 CA LYS A 124 -9.604 -1.101 8.492 1.00 0.00 C ATOM 1993 C LYS A 124 -9.415 -1.297 6.988 1.00 0.00 C ATOM 1994 O LYS A 124 -10.388 -1.346 6.236 1.00 0.00 O ATOM 1995 CB LYS A 124 -10.337 0.213 8.758 1.00 0.00 C ATOM 1996 CG LYS A 124 -9.581 1.440 8.280 1.00 0.00 C ATOM 1997 CD LYS A 124 -10.290 2.717 8.696 1.00 0.00 C ATOM 1998 CE LYS A 124 -10.220 2.930 10.200 1.00 0.00 C ATOM 1999 NZ LYS A 124 -11.572 2.931 10.823 1.00 0.00 N ATOM 0 H LYS A 124 -7.916 -0.197 9.351 1.00 0.00 H new ATOM 0 HA LYS A 124 -10.203 -1.929 8.870 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.310 0.182 8.267 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.523 0.305 9.828 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -8.571 1.431 8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -9.484 1.411 7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -9.838 3.568 8.186 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -11.333 2.674 8.382 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -9.613 2.144 10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -9.723 3.877 10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -11.482 3.079 11.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -12.143 3.697 10.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -12.037 2.018 10.645 1.00 0.00 H new ATOM 2013 N LEU A 125 -8.161 -1.414 6.552 1.00 0.00 N ATOM 2014 CA LEU A 125 -7.860 -1.607 5.139 1.00 0.00 C ATOM 2015 C LEU A 125 -7.952 -3.084 4.765 1.00 0.00 C ATOM 2016 O LEU A 125 -7.801 -3.959 5.618 1.00 0.00 O ATOM 2017 CB LEU A 125 -6.462 -1.077 4.813 1.00 0.00 C ATOM 2018 CG LEU A 125 -6.348 0.447 4.727 1.00 0.00 C ATOM 2019 CD1 LEU A 125 -4.912 0.862 4.443 1.00 0.00 C ATOM 2020 CD2 LEU A 125 -7.284 0.990 3.660 1.00 0.00 C ATOM 0 H LEU A 125 -7.341 -1.378 7.157 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.595 -1.051 4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.768 -1.435 5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.141 -1.504 3.863 1.00 0.00 H new ATOM 0 HG LEU A 125 -6.641 0.869 5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.852 1.949 4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.265 0.505 5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.589 0.430 3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -7.191 2.075 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -7.022 0.560 2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -8.312 0.725 3.908 1.00 0.00 H new ATOM 2032 N PRO A 126 -8.205 -3.382 3.480 1.00 0.00 N ATOM 2033 CA PRO A 126 -8.321 -4.754 2.993 1.00 0.00 C ATOM 2034 C PRO A 126 -6.975 -5.356 2.595 1.00 0.00 C ATOM 2035 O PRO A 126 -6.918 -6.297 1.805 1.00 0.00 O ATOM 2036 CB PRO A 126 -9.214 -4.590 1.769 1.00 0.00 C ATOM 2037 CG PRO A 126 -8.853 -3.248 1.222 1.00 0.00 C ATOM 2038 CD PRO A 126 -8.407 -2.404 2.395 1.00 0.00 C ATOM 0 HA PRO A 126 -8.710 -5.432 3.752 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -9.035 -5.378 1.038 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -10.269 -4.639 2.038 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -8.057 -3.333 0.482 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -9.707 -2.792 0.720 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.489 -1.861 2.170 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -9.159 -1.661 2.662 1.00 0.00 H new ATOM 2046 N ILE A 127 -5.893 -4.809 3.143 1.00 0.00 N ATOM 2047 CA ILE A 127 -4.555 -5.298 2.836 1.00 0.00 C ATOM 2048 C ILE A 127 -3.594 -5.049 3.994 1.00 0.00 C ATOM 2049 O ILE A 127 -3.905 -4.303 4.922 1.00 0.00 O ATOM 2050 CB ILE A 127 -3.998 -4.635 1.562 1.00 0.00 C ATOM 2051 CG1 ILE A 127 -4.208 -3.121 1.611 1.00 0.00 C ATOM 2052 CG2 ILE A 127 -4.661 -5.229 0.329 1.00 0.00 C ATOM 2053 CD1 ILE A 127 -3.273 -2.410 2.562 1.00 0.00 C ATOM 0 H ILE A 127 -5.918 -4.029 3.800 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.640 -6.372 2.671 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.927 -4.829 1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.074 -2.712 0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -5.237 -2.915 1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -4.259 -4.753 -0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -4.463 -6.300 0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -5.737 -5.061 0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.480 -1.340 2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -3.422 -2.791 3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.241 -2.585 2.257 1.00 0.00 H new ATOM 2065 N LYS A 128 -2.428 -5.685 3.934 1.00 0.00 N ATOM 2066 CA LYS A 128 -1.421 -5.538 4.981 1.00 0.00 C ATOM 2067 C LYS A 128 -0.616 -4.255 4.796 1.00 0.00 C ATOM 2068 O LYS A 128 -0.161 -3.946 3.695 1.00 0.00 O ATOM 2069 CB LYS A 128 -0.485 -6.749 4.986 1.00 0.00 C ATOM 2070 CG LYS A 128 -0.580 -7.585 6.253 1.00 0.00 C ATOM 2071 CD LYS A 128 -0.310 -6.750 7.494 1.00 0.00 C ATOM 2072 CE LYS A 128 -0.041 -7.626 8.707 1.00 0.00 C ATOM 2073 NZ LYS A 128 0.300 -6.817 9.911 1.00 0.00 N ATOM 0 H LYS A 128 -2.157 -6.307 3.172 1.00 0.00 H new ATOM 0 HA LYS A 128 -1.937 -5.479 5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -0.715 -7.379 4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 128 0.542 -6.405 4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.572 -8.031 6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.135 -8.406 6.203 1.00 0.00 H new ATOM 0 HD2 LYS A 128 0.546 -6.099 7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -1.165 -6.104 7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -0.920 -8.236 8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 128 0.778 -8.311 8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 0.476 -7.451 10.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 1.153 -6.254 9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -0.491 -6.181 10.138 1.00 0.00 H new ATOM 2087 N THR A 129 -0.442 -3.516 5.887 1.00 0.00 N ATOM 2088 CA THR A 129 0.313 -2.268 5.859 1.00 0.00 C ATOM 2089 C THR A 129 1.243 -2.179 7.065 1.00 0.00 C ATOM 2090 O THR A 129 0.919 -2.672 8.145 1.00 0.00 O ATOM 2091 CB THR A 129 -0.637 -1.070 5.845 1.00 0.00 C ATOM 2092 OG1 THR A 129 -1.205 -0.866 7.126 1.00 0.00 O ATOM 2093 CG2 THR A 129 -1.774 -1.213 4.857 1.00 0.00 C ATOM 0 H THR A 129 -0.815 -3.761 6.804 1.00 0.00 H new ATOM 0 HA THR A 129 0.914 -2.253 4.950 1.00 0.00 H new ATOM 0 HB THR A 129 -0.023 -0.221 5.543 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.571 -1.712 7.460 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.408 -0.327 4.901 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.370 -1.320 3.850 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.365 -2.094 5.107 1.00 0.00 H new ATOM 2101 N LYS A 130 2.402 -1.553 6.879 1.00 0.00 N ATOM 2102 CA LYS A 130 3.370 -1.413 7.964 1.00 0.00 C ATOM 2103 C LYS A 130 3.826 0.035 8.118 1.00 0.00 C ATOM 2104 O LYS A 130 3.703 0.837 7.192 1.00 0.00 O ATOM 2105 CB LYS A 130 4.580 -2.314 7.710 1.00 0.00 C ATOM 2106 CG LYS A 130 5.284 -2.023 6.398 1.00 0.00 C ATOM 2107 CD LYS A 130 6.715 -2.534 6.406 1.00 0.00 C ATOM 2108 CE LYS A 130 7.530 -1.914 5.283 1.00 0.00 C ATOM 2109 NZ LYS A 130 8.724 -2.736 4.942 1.00 0.00 N ATOM 0 H LYS A 130 2.693 -1.137 5.994 1.00 0.00 H new ATOM 0 HA LYS A 130 2.881 -1.716 8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.290 -2.196 8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 130 4.256 -3.355 7.717 1.00 0.00 H new ATOM 0 HG2 LYS A 130 4.735 -2.488 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.282 -0.949 6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 130 7.180 -2.304 7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.716 -3.619 6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.903 -1.802 4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.850 -0.914 5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 9.252 -2.278 4.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.336 -2.822 5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 8.419 -3.682 4.637 1.00 0.00 H new ATOM 2123 N ILE A 131 4.357 0.360 9.293 1.00 0.00 N ATOM 2124 CA ILE A 131 4.839 1.710 9.569 1.00 0.00 C ATOM 2125 C ILE A 131 6.296 1.858 9.153 1.00 0.00 C ATOM 2126 O ILE A 131 7.102 0.948 9.349 1.00 0.00 O ATOM 2127 CB ILE A 131 4.725 2.075 11.067 1.00 0.00 C ATOM 2128 CG1 ILE A 131 3.505 1.404 11.706 1.00 0.00 C ATOM 2129 CG2 ILE A 131 4.664 3.587 11.241 1.00 0.00 C ATOM 2130 CD1 ILE A 131 2.194 1.770 11.048 1.00 0.00 C ATOM 0 H ILE A 131 4.465 -0.293 10.069 1.00 0.00 H new ATOM 0 HA ILE A 131 4.208 2.385 8.991 1.00 0.00 H new ATOM 0 HB ILE A 131 5.614 1.704 11.577 1.00 0.00 H new ATOM 0 HG12 ILE A 131 3.633 0.322 11.663 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.461 1.679 12.760 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.584 3.828 12.301 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.569 4.037 10.834 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.795 3.979 10.713 1.00 0.00 H new ATOM 0 HD11 ILE A 131 1.377 1.257 11.555 1.00 0.00 H new ATOM 0 HD12 ILE A 131 2.042 2.847 11.114 1.00 0.00 H new ATOM 0 HD13 ILE A 131 2.217 1.470 10.000 1.00 0.00 H new ATOM 2142 N VAL A 132 6.637 3.011 8.589 1.00 0.00 N ATOM 2143 CA VAL A 132 8.005 3.266 8.161 1.00 0.00 C ATOM 2144 C VAL A 132 8.349 4.750 8.265 1.00 0.00 C ATOM 2145 O VAL A 132 7.526 5.614 7.968 1.00 0.00 O ATOM 2146 CB VAL A 132 8.253 2.780 6.719 1.00 0.00 C ATOM 2147 CG1 VAL A 132 7.767 1.349 6.548 1.00 0.00 C ATOM 2148 CG2 VAL A 132 7.580 3.700 5.713 1.00 0.00 C ATOM 0 H VAL A 132 5.988 3.779 8.419 1.00 0.00 H new ATOM 0 HA VAL A 132 8.653 2.702 8.832 1.00 0.00 H new ATOM 0 HB VAL A 132 9.327 2.804 6.532 1.00 0.00 H new ATOM 0 HG11 VAL A 132 7.950 1.022 5.524 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.303 0.698 7.238 1.00 0.00 H new ATOM 0 HG13 VAL A 132 6.699 1.300 6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 132 7.770 3.336 4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 132 6.506 3.717 5.897 1.00 0.00 H new ATOM 0 HG23 VAL A 132 7.981 4.708 5.817 1.00 0.00 H new ATOM 2158 N ARG A 133 9.572 5.026 8.689 1.00 0.00 N ATOM 2159 CA ARG A 133 10.050 6.394 8.843 1.00 0.00 C ATOM 2160 C ARG A 133 10.501 6.976 7.515 1.00 0.00 C ATOM 2161 O ARG A 133 10.706 6.247 6.547 1.00 0.00 O ATOM 2162 CB ARG A 133 11.220 6.446 9.813 1.00 0.00 C ATOM 2163 CG ARG A 133 10.993 7.364 11.003 1.00 0.00 C ATOM 2164 CD ARG A 133 11.622 6.806 12.270 1.00 0.00 C ATOM 2165 NE ARG A 133 12.546 7.754 12.886 1.00 0.00 N ATOM 2166 CZ ARG A 133 13.733 8.072 12.375 1.00 0.00 C ATOM 2167 NH1 ARG A 133 14.144 7.520 11.240 1.00 0.00 N ATOM 2168 NH2 ARG A 133 14.512 8.945 13.000 1.00 0.00 N ATOM 0 H ARG A 133 10.259 4.314 8.935 1.00 0.00 H new ATOM 0 HA ARG A 133 9.217 6.982 9.229 1.00 0.00 H new ATOM 0 HB2 ARG A 133 11.422 5.439 10.177 1.00 0.00 H new ATOM 0 HB3 ARG A 133 12.110 6.776 9.277 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.413 8.347 10.790 1.00 0.00 H new ATOM 0 HG3 ARG A 133 9.923 7.502 11.158 1.00 0.00 H new ATOM 0 HD2 ARG A 133 10.837 6.550 12.982 1.00 0.00 H new ATOM 0 HD3 ARG A 133 12.153 5.883 12.035 1.00 0.00 H new ATOM 0 HE ARG A 133 12.265 8.199 13.760 1.00 0.00 H new ATOM 0 HH11 ARG A 133 13.549 6.848 10.755 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.055 7.767 10.853 1.00 0.00 H new ATOM 0 HH21 ARG A 133 14.201 9.373 13.872 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.422 9.189 12.608 1.00 0.00 H new