USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 710 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 82 CYS SG : rot -111:sc= -0.981 USER MOD Set 1.2: A 102 GLN :FLIP amide:sc= -4.5 F(o=-8.1!,f=-5.5) USER MOD Set 2.1: A 83 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.066) USER MOD Set 2.2: A 99 GLN : amide:sc= 0 X(o=-0.28,f=-0.28) USER MOD Set 3.1: A 50 GLN :FLIP amide:sc= -0.0309 F(o=-2,f=-0.33) USER MOD Set 3.2: A 56 THR OG1 : rot -126:sc= -0.297 USER MOD Set 4.1: A 49 GLN :FLIP amide:sc= -0.0118! F(o=-13,f=-12!) USER MOD Set 4.2: A 59 THR OG1 : rot 180:sc= 0.0515 USER MOD Set 4.3: A 97 GLN : amide:sc= -12.3! C(o=-12!,f=-19!) USER MOD Set 5.1: A 45 HIS : no HD1:sc= -5.73! C(o=-12!,f=-13!) USER MOD Set 5.2: A 124 HIS : no HE2:sc= -6.59! C(o=-12!,f=-16!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.493 K(o=-0.49,f=-2.1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -119:sc= 0.236 USER MOD Single : A 61 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.4) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= 0.431 (180deg=-0.223!) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 89 HIS : no HD1:sc= -2.93 K(o=-2.9,f=-4.4) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 151:sc=-0.00736 (180deg=-0.0163) USER MOD Single : A 105 ASN : amide:sc= -0.0233 X(o=-0.023,f=0.07) USER MOD Single : A 107 CYS SG : rot -160:sc= -2.07 USER MOD Single : A 108 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -2.87 F(o=-6.7!,f=-2.9) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 0.975 -12.390 -13.326 1.00 0.00 N ATOM 607 CA ASP A 42 0.421 -12.025 -12.022 1.00 0.00 C ATOM 608 C ASP A 42 0.969 -10.683 -11.542 1.00 0.00 C ATOM 609 O ASP A 42 1.669 -10.611 -10.533 1.00 0.00 O ATOM 610 CB ASP A 42 0.728 -13.118 -10.994 1.00 0.00 C ATOM 611 CG ASP A 42 -0.440 -14.061 -10.789 1.00 0.00 C ATOM 612 OD1 ASP A 42 -1.236 -14.237 -11.736 1.00 0.00 O ATOM 613 OD2 ASP A 42 -0.560 -14.626 -9.681 1.00 0.00 O ATOM 0 HA ASP A 42 -0.659 -11.928 -12.131 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.598 -13.687 -11.321 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.989 -12.655 -10.042 1.00 0.00 H new ATOM 618 N TYR A 43 0.647 -9.623 -12.273 1.00 0.00 N ATOM 619 CA TYR A 43 1.108 -8.285 -11.923 1.00 0.00 C ATOM 620 C TYR A 43 0.473 -7.810 -10.620 1.00 0.00 C ATOM 621 O TYR A 43 -0.422 -8.461 -10.081 1.00 0.00 O ATOM 622 CB TYR A 43 0.780 -7.298 -13.047 1.00 0.00 C ATOM 623 CG TYR A 43 1.351 -7.681 -14.397 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.514 -8.437 -14.502 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.725 -7.277 -15.570 1.00 0.00 C ATOM 626 CE1 TYR A 43 3.034 -8.778 -15.735 1.00 0.00 C ATOM 627 CE2 TYR A 43 1.239 -7.617 -16.807 1.00 0.00 C ATOM 628 CZ TYR A 43 2.393 -8.366 -16.885 1.00 0.00 C ATOM 629 OH TYR A 43 2.908 -8.705 -18.115 1.00 0.00 O ATOM 0 H TYR A 43 0.068 -9.664 -13.112 1.00 0.00 H new ATOM 0 HA TYR A 43 2.189 -8.329 -11.786 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.303 -7.212 -13.135 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.157 -6.313 -12.772 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.019 -8.763 -13.604 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.178 -6.688 -15.514 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.939 -9.365 -15.799 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.738 -7.297 -17.709 1.00 0.00 H new ATOM 0 HH TYR A 43 2.336 -8.338 -18.821 1.00 0.00 H new ATOM 639 N ILE A 44 0.935 -6.665 -10.126 1.00 0.00 N ATOM 640 CA ILE A 44 0.405 -6.092 -8.893 1.00 0.00 C ATOM 641 C ILE A 44 -0.398 -4.832 -9.204 1.00 0.00 C ATOM 642 O ILE A 44 0.164 -3.756 -9.411 1.00 0.00 O ATOM 643 CB ILE A 44 1.533 -5.762 -7.890 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.333 -7.020 -7.543 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.962 -5.141 -6.622 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.470 -8.211 -7.186 1.00 0.00 C ATOM 0 H ILE A 44 1.676 -6.115 -10.561 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.247 -6.835 -8.434 1.00 0.00 H new ATOM 0 HB ILE A 44 2.202 -5.041 -8.361 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.966 -7.282 -8.391 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.996 -6.799 -6.706 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.773 -4.917 -5.930 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.434 -4.221 -6.873 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.269 -5.841 -6.154 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.106 -9.064 -6.952 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.856 -7.968 -6.319 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.826 -8.459 -8.029 1.00 0.00 H new ATOM 658 N HIS A 45 -1.717 -4.984 -9.260 1.00 0.00 N ATOM 659 CA HIS A 45 -2.614 -3.875 -9.573 1.00 0.00 C ATOM 660 C HIS A 45 -2.729 -2.880 -8.420 1.00 0.00 C ATOM 661 O HIS A 45 -3.170 -3.228 -7.325 1.00 0.00 O ATOM 662 CB HIS A 45 -3.998 -4.416 -9.931 1.00 0.00 C ATOM 663 CG HIS A 45 -4.459 -4.032 -11.300 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.131 -4.747 -12.434 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.229 -3.001 -11.718 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.680 -4.172 -13.488 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.352 -3.112 -13.082 1.00 0.00 N ATOM 0 H HIS A 45 -2.192 -5.871 -9.092 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.190 -3.341 -10.423 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.984 -5.503 -9.854 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.720 -4.054 -9.199 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.666 -2.234 -11.096 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.594 -4.512 -14.509 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.878 -2.478 -13.683 1.00 0.00 H new ATOM 676 N ILE A 46 -2.348 -1.635 -8.688 1.00 0.00 N ATOM 677 CA ILE A 46 -2.425 -0.570 -7.686 1.00 0.00 C ATOM 678 C ILE A 46 -3.858 -0.019 -7.589 1.00 0.00 C ATOM 679 O ILE A 46 -4.695 -0.605 -6.902 1.00 0.00 O ATOM 680 CB ILE A 46 -1.433 0.572 -8.004 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.006 0.026 -8.083 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.524 1.671 -6.954 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.513 -0.511 -6.767 1.00 0.00 C ATOM 0 H ILE A 46 -1.982 -1.335 -9.592 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.149 -1.000 -6.723 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.698 1.000 -8.971 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.029 -0.768 -8.829 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.658 0.818 -8.429 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.818 2.465 -7.196 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.535 2.077 -6.939 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.284 1.259 -5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.530 -0.881 -6.900 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.511 0.286 -6.023 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.128 -1.325 -6.428 1.00 0.00 H new ATOM 695 N ARG A 47 -4.145 1.095 -8.288 1.00 0.00 N ATOM 696 CA ARG A 47 -5.480 1.702 -8.289 1.00 0.00 C ATOM 697 C ARG A 47 -5.646 2.720 -7.165 1.00 0.00 C ATOM 698 O ARG A 47 -5.325 2.449 -6.008 1.00 0.00 O ATOM 699 CB ARG A 47 -6.577 0.635 -8.191 1.00 0.00 C ATOM 700 CG ARG A 47 -7.922 1.093 -8.728 1.00 0.00 C ATOM 701 CD ARG A 47 -7.990 0.972 -10.242 1.00 0.00 C ATOM 702 NE ARG A 47 -8.564 -0.306 -10.663 1.00 0.00 N ATOM 703 CZ ARG A 47 -9.065 -0.529 -11.876 1.00 0.00 C ATOM 704 NH1 ARG A 47 -9.067 0.435 -12.790 1.00 0.00 N ATOM 705 NH2 ARG A 47 -9.566 -1.719 -12.178 1.00 0.00 N ATOM 0 H ARG A 47 -3.463 1.592 -8.861 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.582 2.226 -9.239 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.259 -0.252 -8.739 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.693 0.340 -7.148 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.716 0.497 -8.279 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.097 2.129 -8.437 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.589 1.789 -10.645 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.988 1.075 -10.660 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.581 -1.071 -9.988 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.683 1.353 -12.564 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.452 0.258 -13.718 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.568 -2.464 -11.481 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.950 -1.890 -13.107 1.00 0.00 H new ATOM 719 N ILE A 48 -6.163 3.891 -7.526 1.00 0.00 N ATOM 720 CA ILE A 48 -6.396 4.970 -6.570 1.00 0.00 C ATOM 721 C ILE A 48 -7.893 5.191 -6.372 1.00 0.00 C ATOM 722 O ILE A 48 -8.716 4.637 -7.102 1.00 0.00 O ATOM 723 CB ILE A 48 -5.738 6.296 -7.045 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.819 6.868 -5.969 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.781 7.337 -7.440 1.00 0.00 C ATOM 726 CD1 ILE A 48 -4.184 8.181 -6.377 1.00 0.00 C ATOM 0 H ILE A 48 -6.431 4.118 -8.484 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.942 4.675 -5.624 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.145 6.056 -7.928 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.389 7.015 -5.051 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.035 6.145 -5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.280 8.249 -7.766 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.393 6.948 -8.254 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.416 7.559 -6.583 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.541 8.540 -5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.589 8.033 -7.278 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.964 8.917 -6.574 1.00 0.00 H new ATOM 738 N GLN A 49 -8.236 6.028 -5.402 1.00 0.00 N ATOM 739 CA GLN A 49 -9.630 6.349 -5.131 1.00 0.00 C ATOM 740 C GLN A 49 -9.729 7.626 -4.301 1.00 0.00 C ATOM 741 O GLN A 49 -9.541 7.608 -3.085 1.00 0.00 O ATOM 742 CB GLN A 49 -10.329 5.190 -4.417 1.00 0.00 C ATOM 743 CG GLN A 49 -9.793 4.915 -3.023 1.00 0.00 C ATOM 744 CD GLN A 49 -9.644 3.433 -2.738 1.00 0.00 C ATOM 745 OE1 GLN A 49 -10.610 2.869 -2.023 1.00 0.00 O flip ATOM 746 NE2 GLN A 49 -8.672 2.804 -3.155 1.00 0.00 N flip ATOM 0 H GLN A 49 -7.568 6.497 -4.790 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.134 6.512 -6.084 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.395 5.407 -4.350 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.225 4.288 -5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.825 5.403 -2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.463 5.357 -2.286 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.953 3.279 -3.701 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.585 1.808 -2.955 1.00 0.00 H new ATOM 755 N GLN A 50 -10.014 8.735 -4.975 1.00 0.00 N ATOM 756 CA GLN A 50 -10.126 10.027 -4.309 1.00 0.00 C ATOM 757 C GLN A 50 -11.578 10.480 -4.209 1.00 0.00 C ATOM 758 O GLN A 50 -12.235 10.725 -5.220 1.00 0.00 O ATOM 759 CB GLN A 50 -9.303 11.076 -5.060 1.00 0.00 C ATOM 760 CG GLN A 50 -8.733 12.161 -4.164 1.00 0.00 C ATOM 761 CD GLN A 50 -7.795 13.095 -4.904 1.00 0.00 C ATOM 762 OE1 GLN A 50 -6.868 13.703 -4.173 1.00 0.00 O flip ATOM 763 NE2 GLN A 50 -7.903 13.268 -6.118 1.00 0.00 N flip ATOM 0 H GLN A 50 -10.172 8.765 -5.982 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.738 9.916 -3.296 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.484 10.579 -5.579 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.930 11.539 -5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.551 12.739 -3.734 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.199 11.698 -3.334 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.631 12.780 -6.640 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.265 13.900 -6.602 1.00 0.00 H new ATOM 772 N ARG A 51 -12.068 10.596 -2.978 1.00 0.00 N ATOM 773 CA ARG A 51 -13.438 11.032 -2.738 1.00 0.00 C ATOM 774 C ARG A 51 -13.463 12.496 -2.316 1.00 0.00 C ATOM 775 O ARG A 51 -12.576 12.960 -1.600 1.00 0.00 O ATOM 776 CB ARG A 51 -14.092 10.165 -1.661 1.00 0.00 C ATOM 777 CG ARG A 51 -14.146 8.687 -2.017 1.00 0.00 C ATOM 778 CD ARG A 51 -13.567 7.817 -0.910 1.00 0.00 C ATOM 779 NE ARG A 51 -14.537 6.846 -0.412 1.00 0.00 N ATOM 780 CZ ARG A 51 -14.210 5.774 0.305 1.00 0.00 C ATOM 781 NH1 ARG A 51 -12.941 5.530 0.607 1.00 0.00 N ATOM 782 NH2 ARG A 51 -15.155 4.942 0.722 1.00 0.00 N ATOM 0 H ARG A 51 -11.536 10.394 -2.132 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.001 10.924 -3.665 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.543 10.285 -0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.106 10.524 -1.483 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.179 8.396 -2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.593 8.515 -2.941 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.688 7.292 -1.284 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.234 8.451 -0.088 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.523 6.998 -0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.210 6.166 0.289 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.697 4.706 1.157 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -16.132 5.124 0.493 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.905 4.120 1.272 1.00 0.00 H new ATOM 796 N ASN A 52 -14.477 13.222 -2.770 1.00 0.00 N ATOM 797 CA ASN A 52 -14.608 14.637 -2.444 1.00 0.00 C ATOM 798 C ASN A 52 -13.420 15.432 -2.982 1.00 0.00 C ATOM 799 O ASN A 52 -13.139 16.539 -2.520 1.00 0.00 O ATOM 800 CB ASN A 52 -14.721 14.826 -0.930 1.00 0.00 C ATOM 801 CG ASN A 52 -15.131 16.235 -0.551 1.00 0.00 C ATOM 802 OD1 ASN A 52 -15.566 17.016 -1.398 1.00 0.00 O ATOM 803 ND2 ASN A 52 -14.993 16.569 0.727 1.00 0.00 N ATOM 0 H ASN A 52 -15.220 12.855 -3.364 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.516 15.010 -2.917 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.449 14.119 -0.532 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.763 14.592 -0.465 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.252 17.505 1.040 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.628 15.890 1.395 1.00 0.00 H new ATOM 810 N GLY A 53 -12.730 14.861 -3.964 1.00 0.00 N ATOM 811 CA GLY A 53 -11.585 15.524 -4.557 1.00 0.00 C ATOM 812 C GLY A 53 -10.472 15.777 -3.561 1.00 0.00 C ATOM 813 O GLY A 53 -9.881 16.858 -3.545 1.00 0.00 O ATOM 0 H GLY A 53 -12.946 13.946 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.202 14.915 -5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.903 16.473 -4.988 1.00 0.00 H new ATOM 817 N ARG A 54 -10.182 14.785 -2.725 1.00 0.00 N ATOM 818 CA ARG A 54 -9.128 14.924 -1.727 1.00 0.00 C ATOM 819 C ARG A 54 -8.875 13.609 -0.990 1.00 0.00 C ATOM 820 O ARG A 54 -7.730 13.252 -0.717 1.00 0.00 O ATOM 821 CB ARG A 54 -9.495 16.025 -0.731 1.00 0.00 C ATOM 822 CG ARG A 54 -10.599 15.634 0.239 1.00 0.00 C ATOM 823 CD ARG A 54 -11.032 16.814 1.095 1.00 0.00 C ATOM 824 NE ARG A 54 -12.183 16.489 1.933 1.00 0.00 N ATOM 825 CZ ARG A 54 -12.645 17.281 2.899 1.00 0.00 C ATOM 826 NH1 ARG A 54 -12.054 18.442 3.153 1.00 0.00 N ATOM 827 NH2 ARG A 54 -13.699 16.910 3.613 1.00 0.00 N ATOM 0 H ARG A 54 -10.658 13.883 -2.718 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.208 15.196 -2.245 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.606 16.299 -0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.807 16.912 -1.283 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.455 15.253 -0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.251 14.825 0.882 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.201 17.128 1.727 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.279 17.658 0.451 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.661 15.603 1.769 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.242 18.731 2.607 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.412 19.045 3.894 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.156 16.018 3.422 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.053 17.516 4.353 1.00 0.00 H new ATOM 841 N LYS A 55 -9.949 12.898 -0.664 1.00 0.00 N ATOM 842 CA LYS A 55 -9.836 11.629 0.050 1.00 0.00 C ATOM 843 C LYS A 55 -9.235 10.544 -0.840 1.00 0.00 C ATOM 844 O LYS A 55 -9.896 9.557 -1.167 1.00 0.00 O ATOM 845 CB LYS A 55 -11.210 11.186 0.558 1.00 0.00 C ATOM 846 CG LYS A 55 -11.155 10.420 1.869 1.00 0.00 C ATOM 847 CD LYS A 55 -10.852 11.340 3.039 1.00 0.00 C ATOM 848 CE LYS A 55 -10.084 10.615 4.134 1.00 0.00 C ATOM 849 NZ LYS A 55 -10.959 9.690 4.905 1.00 0.00 N ATOM 0 H LYS A 55 -10.906 13.177 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.169 11.780 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.841 12.065 0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.684 10.561 -0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.107 9.917 2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.391 9.645 1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.272 12.194 2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.784 11.732 3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.263 10.053 3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.641 11.345 4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.399 9.215 5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.729 10.230 5.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.362 8.978 4.263 1.00 0.00 H new ATOM 863 N THR A 56 -7.976 10.730 -1.226 1.00 0.00 N ATOM 864 CA THR A 56 -7.284 9.766 -2.074 1.00 0.00 C ATOM 865 C THR A 56 -6.875 8.534 -1.274 1.00 0.00 C ATOM 866 O THR A 56 -6.497 8.636 -0.107 1.00 0.00 O ATOM 867 CB THR A 56 -6.050 10.410 -2.711 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.104 11.820 -2.599 1.00 0.00 O ATOM 869 CG2 THR A 56 -5.884 10.072 -4.178 1.00 0.00 C ATOM 0 H THR A 56 -7.414 11.540 -0.965 1.00 0.00 H new ATOM 0 HA THR A 56 -7.969 9.453 -2.862 1.00 0.00 H new ATOM 0 HB THR A 56 -5.200 10.003 -2.163 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.004 12.223 -3.487 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.990 10.561 -4.565 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.786 8.993 -4.294 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.756 10.419 -4.732 1.00 0.00 H new ATOM 877 N LEU A 57 -6.958 7.370 -1.909 1.00 0.00 N ATOM 878 CA LEU A 57 -6.598 6.116 -1.256 1.00 0.00 C ATOM 879 C LEU A 57 -6.064 5.110 -2.275 1.00 0.00 C ATOM 880 O LEU A 57 -6.830 4.487 -3.009 1.00 0.00 O ATOM 881 CB LEU A 57 -7.811 5.533 -0.529 1.00 0.00 C ATOM 882 CG LEU A 57 -7.903 5.884 0.958 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.356 5.902 1.415 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.092 4.901 1.788 1.00 0.00 C ATOM 0 H LEU A 57 -7.271 7.268 -2.874 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.812 6.321 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.716 5.882 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.790 4.448 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.487 6.881 1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.401 6.153 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.909 6.646 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.800 4.919 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.169 5.165 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.478 3.893 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.047 4.939 1.479 1.00 0.00 H new ATOM 896 N THR A 58 -4.745 4.963 -2.316 1.00 0.00 N ATOM 897 CA THR A 58 -4.105 4.039 -3.246 1.00 0.00 C ATOM 898 C THR A 58 -4.119 2.614 -2.704 1.00 0.00 C ATOM 899 O THR A 58 -3.502 2.326 -1.679 1.00 0.00 O ATOM 900 CB THR A 58 -2.665 4.477 -3.508 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.624 5.809 -3.989 1.00 0.00 O ATOM 902 CG2 THR A 58 -1.947 3.602 -4.514 1.00 0.00 C ATOM 0 H THR A 58 -4.097 5.472 -1.715 1.00 0.00 H new ATOM 0 HA THR A 58 -4.667 4.056 -4.180 1.00 0.00 H new ATOM 0 HB THR A 58 -2.158 4.390 -2.547 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.222 5.822 -4.882 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.930 3.968 -4.654 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.916 2.576 -4.147 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.477 3.632 -5.466 1.00 0.00 H new ATOM 910 N THR A 59 -4.817 1.720 -3.398 1.00 0.00 N ATOM 911 CA THR A 59 -4.891 0.326 -2.973 1.00 0.00 C ATOM 912 C THR A 59 -3.786 -0.502 -3.621 1.00 0.00 C ATOM 913 O THR A 59 -3.068 -0.020 -4.497 1.00 0.00 O ATOM 914 CB THR A 59 -6.259 -0.277 -3.309 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.891 0.455 -4.345 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.205 -0.310 -2.128 1.00 0.00 C ATOM 0 H THR A 59 -5.335 1.933 -4.250 1.00 0.00 H new ATOM 0 HA THR A 59 -4.755 0.304 -1.892 1.00 0.00 H new ATOM 0 HB THR A 59 -6.053 -1.302 -3.619 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.762 0.053 -4.545 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.155 -0.748 -2.435 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.769 -0.910 -1.329 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.373 0.705 -1.768 1.00 0.00 H new ATOM 924 N VAL A 60 -3.657 -1.750 -3.183 1.00 0.00 N ATOM 925 CA VAL A 60 -2.641 -2.647 -3.719 1.00 0.00 C ATOM 926 C VAL A 60 -3.189 -4.059 -3.888 1.00 0.00 C ATOM 927 O VAL A 60 -3.607 -4.696 -2.920 1.00 0.00 O ATOM 928 CB VAL A 60 -1.398 -2.693 -2.810 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.366 -3.677 -3.348 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.798 -1.306 -2.673 1.00 0.00 C ATOM 0 H VAL A 60 -4.244 -2.163 -2.458 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.353 -2.254 -4.694 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.706 -3.038 -1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.502 -3.691 -2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.803 -4.674 -3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.057 -3.370 -4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.080 -1.351 -2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.507 -0.937 -3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.535 -0.632 -2.236 1.00 0.00 H new ATOM 940 N GLN A 61 -3.180 -4.540 -5.127 1.00 0.00 N ATOM 941 CA GLN A 61 -3.668 -5.876 -5.437 1.00 0.00 C ATOM 942 C GLN A 61 -2.543 -6.749 -5.975 1.00 0.00 C ATOM 943 O GLN A 61 -1.576 -6.248 -6.548 1.00 0.00 O ATOM 944 CB GLN A 61 -4.807 -5.804 -6.454 1.00 0.00 C ATOM 945 CG GLN A 61 -5.991 -6.690 -6.106 1.00 0.00 C ATOM 946 CD GLN A 61 -6.688 -7.247 -7.332 1.00 0.00 C ATOM 947 OE1 GLN A 61 -7.152 -8.387 -7.332 1.00 0.00 O ATOM 948 NE2 GLN A 61 -6.763 -6.443 -8.386 1.00 0.00 N ATOM 0 H GLN A 61 -2.838 -4.020 -5.935 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.044 -6.323 -4.517 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.147 -4.772 -6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.426 -6.090 -7.434 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.650 -7.515 -5.481 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.706 -6.117 -5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.364 -5.505 -8.341 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.219 -6.763 -9.240 1.00 0.00 H new ATOM 957 N GLY A 62 -2.673 -8.054 -5.784 1.00 0.00 N ATOM 958 CA GLY A 62 -1.656 -8.976 -6.250 1.00 0.00 C ATOM 959 C GLY A 62 -0.705 -9.388 -5.143 1.00 0.00 C ATOM 960 O GLY A 62 -0.104 -10.460 -5.195 1.00 0.00 O ATOM 0 H GLY A 62 -3.465 -8.492 -5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.135 -9.863 -6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.091 -8.512 -7.058 1.00 0.00 H new ATOM 964 N ILE A 63 -0.570 -8.527 -4.138 1.00 0.00 N ATOM 965 CA ILE A 63 0.313 -8.794 -3.010 1.00 0.00 C ATOM 966 C ILE A 63 -0.269 -9.868 -2.098 1.00 0.00 C ATOM 967 O ILE A 63 -1.485 -9.966 -1.931 1.00 0.00 O ATOM 968 CB ILE A 63 0.578 -7.503 -2.198 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.427 -6.511 -3.011 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.255 -7.818 -0.867 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.398 -7.160 -3.975 1.00 0.00 C ATOM 0 H ILE A 63 -1.063 -7.636 -4.083 1.00 0.00 H new ATOM 0 HA ILE A 63 1.258 -9.156 -3.414 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.386 -7.041 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.760 -5.856 -3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.987 -5.880 -2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.428 -6.892 -0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.613 -8.473 -0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.208 -8.314 -1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.955 -6.388 -4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.092 -7.792 -3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.847 -7.768 -4.693 1.00 0.00 H new ATOM 983 N ALA A 64 0.613 -10.666 -1.508 1.00 0.00 N ATOM 984 CA ALA A 64 0.196 -11.733 -0.607 1.00 0.00 C ATOM 985 C ALA A 64 -0.036 -11.197 0.799 1.00 0.00 C ATOM 986 O ALA A 64 0.716 -10.350 1.284 1.00 0.00 O ATOM 987 CB ALA A 64 1.237 -12.843 -0.587 1.00 0.00 C ATOM 0 H ALA A 64 1.622 -10.594 -1.638 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.746 -12.142 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.913 -13.634 0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.354 -13.250 -1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.191 -12.441 -0.245 1.00 0.00 H new ATOM 993 N ASP A 65 -1.081 -11.694 1.451 1.00 0.00 N ATOM 994 CA ASP A 65 -1.412 -11.264 2.805 1.00 0.00 C ATOM 995 C ASP A 65 -0.336 -11.699 3.802 1.00 0.00 C ATOM 996 O ASP A 65 -0.319 -11.239 4.943 1.00 0.00 O ATOM 997 CB ASP A 65 -2.769 -11.834 3.224 1.00 0.00 C ATOM 998 CG ASP A 65 -3.404 -11.044 4.352 1.00 0.00 C ATOM 999 OD1 ASP A 65 -2.682 -10.271 5.016 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -4.623 -11.201 4.572 1.00 0.00 O ATOM 0 H ASP A 65 -1.713 -12.395 1.064 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.462 -10.175 2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.439 -11.838 2.365 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.644 -12.871 3.536 1.00 0.00 H new ATOM 1005 N ASP A 66 0.553 -12.589 3.369 1.00 0.00 N ATOM 1006 CA ASP A 66 1.620 -13.081 4.233 1.00 0.00 C ATOM 1007 C ASP A 66 2.917 -12.307 4.015 1.00 0.00 C ATOM 1008 O ASP A 66 4.008 -12.852 4.184 1.00 0.00 O ATOM 1009 CB ASP A 66 1.857 -14.571 3.984 1.00 0.00 C ATOM 1010 CG ASP A 66 0.749 -15.437 4.550 1.00 0.00 C ATOM 1011 OD1 ASP A 66 0.029 -14.964 5.453 1.00 0.00 O ATOM 1012 OD2 ASP A 66 0.601 -16.588 4.089 1.00 0.00 O ATOM 0 H ASP A 66 0.555 -12.983 2.428 1.00 0.00 H new ATOM 0 HA ASP A 66 1.306 -12.932 5.266 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.941 -14.748 2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.807 -14.864 4.431 1.00 0.00 H new ATOM 1017 N TYR A 67 2.799 -11.034 3.641 1.00 0.00 N ATOM 1018 CA TYR A 67 3.972 -10.198 3.407 1.00 0.00 C ATOM 1019 C TYR A 67 4.450 -9.531 4.697 1.00 0.00 C ATOM 1020 O TYR A 67 4.935 -8.401 4.676 1.00 0.00 O ATOM 1021 CB TYR A 67 3.650 -9.127 2.366 1.00 0.00 C ATOM 1022 CG TYR A 67 3.859 -9.571 0.935 1.00 0.00 C ATOM 1023 CD1 TYR A 67 3.934 -10.918 0.597 1.00 0.00 C ATOM 1024 CD2 TYR A 67 3.978 -8.636 -0.080 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.123 -11.316 -0.713 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.166 -9.023 -1.391 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.237 -10.364 -1.704 1.00 0.00 C ATOM 1028 OH TYR A 67 4.424 -10.754 -3.010 1.00 0.00 O ATOM 0 H TYR A 67 1.907 -10.562 3.494 1.00 0.00 H new ATOM 0 HA TYR A 67 4.772 -10.841 3.039 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.613 -8.816 2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.271 -8.252 2.557 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.843 -11.666 1.371 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.923 -7.584 0.159 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.181 -12.366 -0.959 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.257 -8.279 -2.168 1.00 0.00 H new ATOM 0 HH TYR A 67 4.483 -9.961 -3.583 1.00 0.00 H new ATOM 1038 N ASP A 68 4.311 -10.238 5.820 1.00 0.00 N ATOM 1039 CA ASP A 68 4.729 -9.721 7.122 1.00 0.00 C ATOM 1040 C ASP A 68 3.720 -8.720 7.689 1.00 0.00 C ATOM 1041 O ASP A 68 3.798 -8.355 8.861 1.00 0.00 O ATOM 1042 CB ASP A 68 6.111 -9.072 7.022 1.00 0.00 C ATOM 1043 CG ASP A 68 6.877 -9.134 8.329 1.00 0.00 C ATOM 1044 OD1 ASP A 68 6.547 -9.997 9.170 1.00 0.00 O ATOM 1045 OD2 ASP A 68 7.805 -8.320 8.512 1.00 0.00 O ATOM 0 H ASP A 68 3.910 -11.175 5.852 1.00 0.00 H new ATOM 0 HA ASP A 68 4.778 -10.568 7.806 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.687 -9.570 6.243 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.999 -8.031 6.719 1.00 0.00 H new ATOM 1050 N LYS A 69 2.773 -8.281 6.859 1.00 0.00 N ATOM 1051 CA LYS A 69 1.756 -7.326 7.291 1.00 0.00 C ATOM 1052 C LYS A 69 2.384 -5.994 7.693 1.00 0.00 C ATOM 1053 O LYS A 69 2.319 -5.017 6.947 1.00 0.00 O ATOM 1054 CB LYS A 69 0.950 -7.903 8.460 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.542 -7.987 8.185 1.00 0.00 C ATOM 1056 CD LYS A 69 -1.353 -7.850 9.464 1.00 0.00 C ATOM 1057 CE LYS A 69 -1.468 -6.398 9.898 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.273 -6.254 11.143 1.00 0.00 N ATOM 0 H LYS A 69 2.690 -8.572 5.885 1.00 0.00 H new ATOM 0 HA LYS A 69 1.086 -7.144 6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.325 -8.900 8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.114 -7.286 9.344 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.829 -7.202 7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.772 -8.939 7.707 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.349 -8.265 9.311 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.884 -8.432 10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.471 -5.987 10.060 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.927 -5.815 9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.328 -5.249 11.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.232 -6.623 10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.822 -6.789 11.912 1.00 0.00 H new ATOM 1072 N LYS A 70 2.991 -5.960 8.877 1.00 0.00 N ATOM 1073 CA LYS A 70 3.628 -4.747 9.380 1.00 0.00 C ATOM 1074 C LYS A 70 4.600 -4.171 8.355 1.00 0.00 C ATOM 1075 O LYS A 70 4.383 -3.085 7.821 1.00 0.00 O ATOM 1076 CB LYS A 70 4.365 -5.040 10.688 1.00 0.00 C ATOM 1077 CG LYS A 70 3.437 -5.311 11.862 1.00 0.00 C ATOM 1078 CD LYS A 70 2.708 -4.051 12.298 1.00 0.00 C ATOM 1079 CE LYS A 70 1.591 -4.364 13.281 1.00 0.00 C ATOM 1080 NZ LYS A 70 2.007 -4.119 14.690 1.00 0.00 N ATOM 0 H LYS A 70 3.055 -6.760 9.506 1.00 0.00 H new ATOM 0 HA LYS A 70 2.847 -4.009 9.565 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.016 -5.902 10.543 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.007 -4.193 10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.711 -6.075 11.584 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.013 -5.707 12.698 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.416 -3.361 12.758 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.294 -3.548 11.424 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.720 -3.752 13.048 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.288 -5.405 13.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.218 -4.344 15.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.822 -4.722 14.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.271 -3.120 14.805 1.00 0.00 H new ATOM 1094 N LYS A 71 5.673 -4.907 8.079 1.00 0.00 N ATOM 1095 CA LYS A 71 6.678 -4.468 7.115 1.00 0.00 C ATOM 1096 C LYS A 71 6.035 -3.953 5.828 1.00 0.00 C ATOM 1097 O LYS A 71 6.621 -3.139 5.114 1.00 0.00 O ATOM 1098 CB LYS A 71 7.639 -5.615 6.794 1.00 0.00 C ATOM 1099 CG LYS A 71 9.033 -5.148 6.405 1.00 0.00 C ATOM 1100 CD LYS A 71 9.780 -4.565 7.595 1.00 0.00 C ATOM 1101 CE LYS A 71 11.011 -5.387 7.942 1.00 0.00 C ATOM 1102 NZ LYS A 71 11.446 -5.170 9.349 1.00 0.00 N ATOM 0 H LYS A 71 5.869 -5.811 8.509 1.00 0.00 H new ATOM 0 HA LYS A 71 7.233 -3.646 7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.713 -6.270 7.662 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.223 -6.210 5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.597 -5.986 5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.960 -4.398 5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.077 -3.540 7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.115 -4.523 8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.797 -6.444 7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.825 -5.125 7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.288 -5.748 9.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.675 -4.166 9.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.679 -5.444 9.996 1.00 0.00 H new ATOM 1116 N LEU A 72 4.831 -4.435 5.534 1.00 0.00 N ATOM 1117 CA LEU A 72 4.117 -4.023 4.330 1.00 0.00 C ATOM 1118 C LEU A 72 3.674 -2.561 4.412 1.00 0.00 C ATOM 1119 O LEU A 72 4.214 -1.704 3.713 1.00 0.00 O ATOM 1120 CB LEU A 72 2.901 -4.926 4.098 1.00 0.00 C ATOM 1121 CG LEU A 72 2.452 -5.053 2.640 1.00 0.00 C ATOM 1122 CD1 LEU A 72 1.068 -5.678 2.564 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.461 -3.693 1.956 1.00 0.00 C ATOM 0 H LEU A 72 4.330 -5.110 6.112 1.00 0.00 H new ATOM 0 HA LEU A 72 4.804 -4.120 3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.130 -5.921 4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.067 -4.543 4.686 1.00 0.00 H new ATOM 0 HG LEU A 72 3.155 -5.703 2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.763 -5.761 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.091 -6.670 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.356 -5.051 3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.139 -3.804 0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.781 -3.019 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.470 -3.280 1.980 1.00 0.00 H new ATOM 1135 N VAL A 73 2.685 -2.284 5.260 1.00 0.00 N ATOM 1136 CA VAL A 73 2.174 -0.923 5.411 1.00 0.00 C ATOM 1137 C VAL A 73 2.910 -0.166 6.511 1.00 0.00 C ATOM 1138 O VAL A 73 3.231 1.011 6.355 1.00 0.00 O ATOM 1139 CB VAL A 73 0.661 -0.905 5.714 1.00 0.00 C ATOM 1140 CG1 VAL A 73 -0.140 -1.109 4.439 1.00 0.00 C ATOM 1141 CG2 VAL A 73 0.300 -1.959 6.752 1.00 0.00 C ATOM 0 H VAL A 73 2.225 -2.978 5.849 1.00 0.00 H new ATOM 0 HA VAL A 73 2.348 -0.427 4.456 1.00 0.00 H new ATOM 0 HB VAL A 73 0.409 0.072 6.126 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.205 -1.093 4.672 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.089 -0.310 3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.120 -2.070 3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.772 -1.925 6.947 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.569 -2.946 6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.844 -1.761 7.676 1.00 0.00 H new ATOM 1151 N LYS A 74 3.179 -0.847 7.621 1.00 0.00 N ATOM 1152 CA LYS A 74 3.883 -0.229 8.742 1.00 0.00 C ATOM 1153 C LYS A 74 5.152 0.466 8.260 1.00 0.00 C ATOM 1154 O LYS A 74 5.480 1.563 8.710 1.00 0.00 O ATOM 1155 CB LYS A 74 4.238 -1.281 9.791 1.00 0.00 C ATOM 1156 CG LYS A 74 4.366 -0.721 11.198 1.00 0.00 C ATOM 1157 CD LYS A 74 3.004 -0.419 11.803 1.00 0.00 C ATOM 1158 CE LYS A 74 3.132 0.249 13.162 1.00 0.00 C ATOM 1159 NZ LYS A 74 1.943 -0.007 14.021 1.00 0.00 N ATOM 0 H LYS A 74 2.922 -1.823 7.769 1.00 0.00 H new ATOM 0 HA LYS A 74 3.223 0.514 9.191 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.474 -2.058 9.787 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.178 -1.757 9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.895 -1.436 11.829 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.965 0.189 11.175 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.442 0.228 11.130 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.436 -1.344 11.904 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.028 -0.117 13.664 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.258 1.323 13.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.070 0.466 14.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.091 0.365 13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.837 -1.031 14.170 1.00 0.00 H new ATOM 1173 N ALA A 75 5.854 -0.181 7.337 1.00 0.00 N ATOM 1174 CA ALA A 75 7.083 0.375 6.787 1.00 0.00 C ATOM 1175 C ALA A 75 6.775 1.531 5.842 1.00 0.00 C ATOM 1176 O ALA A 75 7.554 2.477 5.727 1.00 0.00 O ATOM 1177 CB ALA A 75 7.878 -0.704 6.069 1.00 0.00 C ATOM 0 H ALA A 75 5.593 -1.090 6.955 1.00 0.00 H new ATOM 0 HA ALA A 75 7.685 0.759 7.610 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.793 -0.273 5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.131 -1.498 6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.280 -1.116 5.256 1.00 0.00 H new ATOM 1183 N PHE A 76 5.629 1.449 5.171 1.00 0.00 N ATOM 1184 CA PHE A 76 5.208 2.488 4.240 1.00 0.00 C ATOM 1185 C PHE A 76 5.139 3.842 4.941 1.00 0.00 C ATOM 1186 O PHE A 76 5.553 4.861 4.389 1.00 0.00 O ATOM 1187 CB PHE A 76 3.844 2.137 3.640 1.00 0.00 C ATOM 1188 CG PHE A 76 3.566 2.823 2.334 1.00 0.00 C ATOM 1189 CD1 PHE A 76 4.025 2.287 1.142 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.849 4.007 2.299 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.773 2.918 -0.060 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.593 4.642 1.099 1.00 0.00 C ATOM 1193 CZ PHE A 76 3.057 4.097 -0.082 1.00 0.00 C ATOM 0 H PHE A 76 4.975 0.671 5.256 1.00 0.00 H new ATOM 0 HA PHE A 76 5.943 2.551 3.438 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.788 1.058 3.493 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.064 2.402 4.353 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.587 1.365 1.153 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.486 4.439 3.220 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.136 2.489 -0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.030 5.564 1.085 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.860 4.593 -1.021 1.00 0.00 H new ATOM 1203 N LYS A 77 4.620 3.841 6.166 1.00 0.00 N ATOM 1204 CA LYS A 77 4.505 5.067 6.948 1.00 0.00 C ATOM 1205 C LYS A 77 5.880 5.568 7.387 1.00 0.00 C ATOM 1206 O LYS A 77 6.027 6.708 7.825 1.00 0.00 O ATOM 1207 CB LYS A 77 3.619 4.838 8.173 1.00 0.00 C ATOM 1208 CG LYS A 77 2.135 5.018 7.894 1.00 0.00 C ATOM 1209 CD LYS A 77 1.344 5.186 9.179 1.00 0.00 C ATOM 1210 CE LYS A 77 1.313 3.898 9.987 1.00 0.00 C ATOM 1211 NZ LYS A 77 1.384 4.159 11.451 1.00 0.00 N ATOM 0 H LYS A 77 4.273 3.006 6.637 1.00 0.00 H new ATOM 0 HA LYS A 77 4.047 5.827 6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.789 3.830 8.551 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.918 5.529 8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.987 5.890 7.257 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.760 4.155 7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.786 5.982 9.778 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.325 5.493 8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.399 3.349 9.760 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.148 3.263 9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.360 3.256 11.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.268 4.660 11.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.573 4.743 11.739 1.00 0.00 H new ATOM 1225 N LYS A 78 6.888 4.711 7.264 1.00 0.00 N ATOM 1226 CA LYS A 78 8.246 5.074 7.644 1.00 0.00 C ATOM 1227 C LYS A 78 9.011 5.639 6.449 1.00 0.00 C ATOM 1228 O LYS A 78 10.026 6.315 6.614 1.00 0.00 O ATOM 1229 CB LYS A 78 8.982 3.855 8.200 1.00 0.00 C ATOM 1230 CG LYS A 78 10.185 4.208 9.059 1.00 0.00 C ATOM 1231 CD LYS A 78 10.594 3.046 9.951 1.00 0.00 C ATOM 1232 CE LYS A 78 12.105 2.885 9.996 1.00 0.00 C ATOM 1233 NZ LYS A 78 12.508 1.592 10.616 1.00 0.00 N ATOM 0 H LYS A 78 6.789 3.762 6.904 1.00 0.00 H new ATOM 0 HA LYS A 78 8.190 5.842 8.415 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.286 3.260 8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.310 3.230 7.370 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.021 4.488 8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.951 5.076 9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.214 3.209 10.960 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.140 2.126 9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.506 2.943 8.984 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.541 3.709 10.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.546 1.521 10.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.147 1.547 11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.113 0.804 10.064 1.00 0.00 H new ATOM 1247 N LYS A 79 8.518 5.352 5.247 1.00 0.00 N ATOM 1248 CA LYS A 79 9.158 5.823 4.025 1.00 0.00 C ATOM 1249 C LYS A 79 8.466 7.068 3.475 1.00 0.00 C ATOM 1250 O LYS A 79 9.126 8.031 3.083 1.00 0.00 O ATOM 1251 CB LYS A 79 9.152 4.715 2.969 1.00 0.00 C ATOM 1252 CG LYS A 79 10.492 4.526 2.278 1.00 0.00 C ATOM 1253 CD LYS A 79 10.336 3.833 0.932 1.00 0.00 C ATOM 1254 CE LYS A 79 10.886 4.683 -0.202 1.00 0.00 C ATOM 1255 NZ LYS A 79 10.445 6.102 -0.101 1.00 0.00 N ATOM 0 H LYS A 79 7.677 4.795 5.095 1.00 0.00 H new ATOM 0 HA LYS A 79 10.187 6.089 4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.860 3.777 3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.395 4.944 2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.968 5.496 2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.151 3.938 2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.854 2.874 0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.282 3.622 0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.975 4.640 -0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.560 4.269 -1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.636 6.590 -1.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.425 6.135 0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.966 6.574 0.666 1.00 0.00 H new ATOM 1269 N PHE A 80 7.137 7.040 3.433 1.00 0.00 N ATOM 1270 CA PHE A 80 6.367 8.169 2.910 1.00 0.00 C ATOM 1271 C PHE A 80 5.423 8.753 3.961 1.00 0.00 C ATOM 1272 O PHE A 80 4.840 9.817 3.752 1.00 0.00 O ATOM 1273 CB PHE A 80 5.561 7.741 1.680 1.00 0.00 C ATOM 1274 CG PHE A 80 6.184 6.612 0.909 1.00 0.00 C ATOM 1275 CD1 PHE A 80 5.981 5.298 1.296 1.00 0.00 C ATOM 1276 CD2 PHE A 80 6.973 6.865 -0.202 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.551 4.258 0.593 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.547 5.828 -0.911 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.335 4.522 -0.513 1.00 0.00 C ATOM 0 H PHE A 80 6.572 6.253 3.752 1.00 0.00 H new ATOM 0 HA PHE A 80 7.082 8.943 2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.562 7.444 1.998 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.443 8.599 1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.368 5.085 2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.141 7.884 -0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.385 3.238 0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.160 6.038 -1.775 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.782 3.709 -1.066 1.00 0.00 H new ATOM 1289 N ALA A 81 5.265 8.058 5.084 1.00 0.00 N ATOM 1290 CA ALA A 81 4.382 8.524 6.147 1.00 0.00 C ATOM 1291 C ALA A 81 2.935 8.560 5.672 1.00 0.00 C ATOM 1292 O ALA A 81 2.213 9.529 5.910 1.00 0.00 O ATOM 1293 CB ALA A 81 4.819 9.898 6.636 1.00 0.00 C ATOM 0 H ALA A 81 5.735 7.174 5.280 1.00 0.00 H new ATOM 0 HA ALA A 81 4.448 7.823 6.979 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.150 10.232 7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.837 9.840 7.021 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.783 10.607 5.809 1.00 0.00 H new ATOM 1299 N CYS A 82 2.517 7.494 4.997 1.00 0.00 N ATOM 1300 CA CYS A 82 1.155 7.395 4.486 1.00 0.00 C ATOM 1301 C CYS A 82 0.386 6.290 5.202 1.00 0.00 C ATOM 1302 O CYS A 82 0.920 5.211 5.453 1.00 0.00 O ATOM 1303 CB CYS A 82 1.175 7.130 2.979 1.00 0.00 C ATOM 1304 SG CYS A 82 0.993 8.617 1.968 1.00 0.00 S ATOM 0 H CYS A 82 3.103 6.685 4.791 1.00 0.00 H new ATOM 0 HA CYS A 82 0.650 8.342 4.674 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.113 6.639 2.719 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.373 6.435 2.732 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.161 8.596 1.370 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.869 6.570 5.532 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.712 5.604 6.224 1.00 0.00 C ATOM 1312 C ASN A 83 -1.933 4.359 5.372 1.00 0.00 C ATOM 1313 O ASN A 83 -2.712 4.374 4.419 1.00 0.00 O ATOM 1314 CB ASN A 83 -3.057 6.238 6.586 1.00 0.00 C ATOM 1315 CG ASN A 83 -3.108 6.696 8.029 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -3.490 7.830 8.320 1.00 0.00 O ATOM 1317 ND2 ASN A 83 -2.723 5.814 8.943 1.00 0.00 N ATOM 0 H ASN A 83 -1.326 7.460 5.331 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.201 5.305 7.139 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.243 7.089 5.931 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.855 5.518 6.408 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.736 6.065 9.932 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.414 4.885 8.657 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.244 3.279 5.726 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.380 2.036 4.989 1.00 0.00 C ATOM 1326 C GLY A 84 -2.265 1.037 5.708 1.00 0.00 C ATOM 1327 O GLY A 84 -1.905 0.534 6.772 1.00 0.00 O ATOM 0 H GLY A 84 -0.593 3.242 6.511 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -1.796 2.244 4.003 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.394 1.599 4.833 1.00 0.00 H new ATOM 1331 N THR A 85 -3.427 0.753 5.129 1.00 0.00 N ATOM 1332 CA THR A 85 -4.367 -0.190 5.728 1.00 0.00 C ATOM 1333 C THR A 85 -4.484 -1.459 4.889 1.00 0.00 C ATOM 1334 O THR A 85 -4.323 -1.424 3.671 1.00 0.00 O ATOM 1335 CB THR A 85 -5.742 0.459 5.885 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.370 0.617 4.625 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.691 1.819 6.546 1.00 0.00 C ATOM 0 H THR A 85 -3.741 1.161 4.248 1.00 0.00 H new ATOM 0 HA THR A 85 -3.986 -0.464 6.712 1.00 0.00 H new ATOM 0 HB THR A 85 -6.308 -0.217 6.526 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.249 1.032 4.747 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.700 2.223 6.626 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.258 1.724 7.542 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.078 2.492 5.947 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.768 -2.577 5.550 1.00 0.00 N ATOM 1346 CA VAL A 86 -4.910 -3.859 4.866 1.00 0.00 C ATOM 1347 C VAL A 86 -6.383 -4.248 4.732 1.00 0.00 C ATOM 1348 O VAL A 86 -6.834 -5.229 5.324 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.157 -4.978 5.618 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.715 -5.152 7.024 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.224 -6.284 4.841 1.00 0.00 C ATOM 0 H VAL A 86 -4.905 -2.622 6.560 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.477 -3.743 3.872 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.110 -4.689 5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.170 -5.945 7.536 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.604 -4.220 7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.771 -5.416 6.966 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.688 -7.060 5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.265 -6.581 4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.767 -6.148 3.861 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.130 -3.468 3.956 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.552 -3.731 3.754 1.00 0.00 C ATOM 1363 C ILE A 87 -8.775 -5.003 2.944 1.00 0.00 C ATOM 1364 O ILE A 87 -7.901 -5.440 2.196 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.249 -2.563 3.030 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.628 -2.342 1.651 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.172 -1.293 3.862 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.366 -1.321 0.812 1.00 0.00 C ATOM 0 H ILE A 87 -6.776 -2.651 3.458 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.984 -3.850 4.748 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.300 -2.820 2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.594 -2.020 1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.604 -3.291 1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.670 -0.481 3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.663 -1.456 4.821 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.127 -1.030 4.029 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.870 -1.216 -0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.393 -1.651 0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.367 -0.360 1.326 1.00 0.00 H new ATOM 1380 N GLU A 88 -9.960 -5.586 3.093 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.318 -6.798 2.373 1.00 0.00 C ATOM 1382 C GLU A 88 -11.425 -6.505 1.366 1.00 0.00 C ATOM 1383 O GLU A 88 -12.582 -6.874 1.572 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.768 -7.881 3.351 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.638 -9.285 2.791 1.00 0.00 C ATOM 1386 CD GLU A 88 -11.192 -10.341 3.729 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -12.234 -10.082 4.364 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -10.582 -11.426 3.826 1.00 0.00 O ATOM 0 H GLU A 88 -10.691 -5.234 3.711 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.441 -7.156 1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.177 -7.805 4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.807 -7.702 3.628 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.162 -9.341 1.837 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.588 -9.497 2.591 1.00 0.00 H new ATOM 1395 N HIS A 89 -11.063 -5.828 0.283 1.00 0.00 N ATOM 1396 CA HIS A 89 -12.017 -5.466 -0.756 1.00 0.00 C ATOM 1397 C HIS A 89 -12.745 -6.696 -1.298 1.00 0.00 C ATOM 1398 O HIS A 89 -12.151 -7.765 -1.442 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.299 -4.742 -1.894 1.00 0.00 C ATOM 1400 CG HIS A 89 -12.144 -3.707 -2.567 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.723 -3.901 -3.801 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.507 -2.465 -2.171 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.409 -2.822 -4.138 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -13.294 -1.936 -3.165 1.00 0.00 N ATOM 0 H HIS A 89 -10.109 -5.517 0.102 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.760 -4.802 -0.314 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.399 -4.267 -1.502 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.976 -5.474 -2.634 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.230 -1.980 -1.247 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.968 -2.688 -5.052 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.720 -1.009 -3.154 1.00 0.00 H new ATOM 1413 N PRO A 90 -14.048 -6.559 -1.603 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.857 -7.660 -2.127 1.00 0.00 C ATOM 1415 C PRO A 90 -14.672 -7.860 -3.629 1.00 0.00 C ATOM 1416 O PRO A 90 -14.893 -8.953 -4.149 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.281 -7.208 -1.820 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.225 -5.721 -1.898 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.839 -5.320 -1.458 1.00 0.00 C ATOM 0 HA PRO A 90 -14.586 -8.618 -1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.991 -7.617 -2.539 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.599 -7.542 -0.832 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.424 -5.378 -2.913 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.981 -5.270 -1.256 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.440 -4.517 -2.077 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.835 -4.961 -0.429 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.267 -6.800 -4.321 1.00 0.00 N ATOM 1428 CA GLU A 91 -14.055 -6.865 -5.763 1.00 0.00 C ATOM 1429 C GLU A 91 -12.676 -7.432 -6.090 1.00 0.00 C ATOM 1430 O GLU A 91 -12.443 -7.921 -7.195 1.00 0.00 O ATOM 1431 CB GLU A 91 -14.210 -5.476 -6.387 1.00 0.00 C ATOM 1432 CG GLU A 91 -15.453 -4.736 -5.920 1.00 0.00 C ATOM 1433 CD GLU A 91 -15.893 -3.663 -6.894 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -15.639 -3.821 -8.107 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -16.493 -2.663 -6.446 1.00 0.00 O ATOM 0 H GLU A 91 -14.079 -5.887 -3.907 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.808 -7.531 -6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.330 -4.879 -6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.242 -5.575 -7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.265 -5.450 -5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.257 -4.282 -4.949 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.764 -7.359 -5.124 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.409 -7.864 -5.316 1.00 0.00 C ATOM 1444 C TYR A 92 -10.097 -8.978 -4.324 1.00 0.00 C ATOM 1445 O TYR A 92 -9.633 -10.052 -4.706 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.397 -6.727 -5.162 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.870 -5.414 -5.747 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.617 -5.385 -6.918 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.577 -4.206 -5.126 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -11.058 -4.192 -7.454 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -10.015 -3.008 -5.655 1.00 0.00 C ATOM 1452 CZ TYR A 92 -10.754 -3.005 -6.819 1.00 0.00 C ATOM 1453 OH TYR A 92 -11.191 -1.813 -7.350 1.00 0.00 O ATOM 0 H TYR A 92 -11.939 -6.956 -4.203 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.337 -8.273 -6.324 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.179 -6.586 -4.103 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.463 -7.015 -5.644 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.857 -6.312 -7.418 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.997 -4.204 -4.215 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.638 -4.187 -8.365 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.780 -2.078 -5.159 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.893 -1.073 -6.781 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.357 -8.715 -3.049 1.00 0.00 N ATOM 1464 CA GLY A 93 -10.100 -9.706 -2.023 1.00 0.00 C ATOM 1465 C GLY A 93 -8.746 -9.527 -1.365 1.00 0.00 C ATOM 1466 O GLY A 93 -7.729 -9.985 -1.888 1.00 0.00 O ATOM 0 H GLY A 93 -10.741 -7.834 -2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.879 -9.647 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.157 -10.702 -2.463 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.733 -8.864 -0.214 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.496 -8.629 0.524 1.00 0.00 C ATOM 1472 C GLU A 94 -6.554 -7.711 -0.250 1.00 0.00 C ATOM 1473 O GLU A 94 -5.694 -8.175 -0.998 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.797 -9.956 0.828 1.00 0.00 C ATOM 1475 CG GLU A 94 -6.165 -10.010 2.209 1.00 0.00 C ATOM 1476 CD GLU A 94 -6.976 -10.834 3.190 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -7.120 -12.054 2.963 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -7.467 -10.260 4.184 1.00 0.00 O ATOM 0 H GLU A 94 -9.567 -8.479 0.230 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.757 -8.138 1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.520 -10.767 0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.026 -10.131 0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.162 -10.430 2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.056 -8.996 2.595 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.718 -6.406 -0.057 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.879 -5.420 -0.728 1.00 0.00 C ATOM 1487 C VAL A 95 -5.560 -4.261 0.204 1.00 0.00 C ATOM 1488 O VAL A 95 -6.430 -3.777 0.927 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.555 -4.865 -1.996 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.641 -5.937 -3.070 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.935 -4.314 -1.669 1.00 0.00 C ATOM 0 H VAL A 95 -7.426 -6.007 0.560 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.959 -5.930 -1.014 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.945 -4.048 -2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.122 -5.525 -3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.638 -6.277 -3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.226 -6.778 -2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.397 -3.927 -2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.556 -5.109 -1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.842 -3.511 -0.938 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.311 -3.809 0.180 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.896 -2.697 1.021 1.00 0.00 C ATOM 1503 C ILE A 96 -4.502 -1.399 0.503 1.00 0.00 C ATOM 1504 O ILE A 96 -4.747 -1.261 -0.693 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.356 -2.583 1.085 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.791 -3.701 1.970 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.917 -1.211 1.593 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.917 -3.437 3.457 1.00 0.00 C ATOM 0 H ILE A 96 -3.573 -4.194 -0.410 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.257 -2.883 2.032 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.960 -2.694 0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.305 -4.632 1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.739 -3.846 1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.828 -1.166 1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.292 -0.438 0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.317 -1.049 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.494 -4.274 4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.378 -2.524 3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.969 -3.322 3.718 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.756 -0.459 1.405 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.347 0.819 1.029 1.00 0.00 C ATOM 1522 C GLN A 97 -4.551 1.985 1.602 1.00 0.00 C ATOM 1523 O GLN A 97 -4.862 2.492 2.680 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.799 0.893 1.510 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.753 1.476 0.481 1.00 0.00 C ATOM 1526 CD GLN A 97 -8.864 2.300 1.108 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -9.289 3.311 0.551 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -9.341 1.870 2.271 1.00 0.00 N ATOM 0 H GLN A 97 -4.562 -0.558 2.402 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.324 0.892 -0.058 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.135 -0.109 1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.842 1.497 2.416 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.192 2.100 -0.215 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.192 0.666 -0.101 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.959 1.026 2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.089 2.384 2.737 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.531 2.414 0.870 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.701 3.529 1.305 1.00 0.00 C ATOM 1539 C LEU A 98 -3.479 4.835 1.220 1.00 0.00 C ATOM 1540 O LEU A 98 -4.450 4.940 0.472 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.437 3.622 0.452 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.589 2.352 0.409 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.157 2.256 -0.914 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.383 2.320 1.580 1.00 0.00 C ATOM 0 H LEU A 98 -3.259 2.008 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.413 3.355 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.723 3.884 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.822 4.438 0.830 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.251 1.490 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.756 1.346 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.560 2.232 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.809 3.122 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.979 1.408 1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.042 3.187 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.175 2.342 2.516 1.00 0.00 H new ATOM 1556 N GLN A 99 -3.048 5.827 1.986 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.708 7.126 1.990 1.00 0.00 C ATOM 1558 C GLN A 99 -3.020 8.082 1.022 1.00 0.00 C ATOM 1559 O GLN A 99 -1.801 8.036 0.851 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.716 7.715 3.401 1.00 0.00 C ATOM 1561 CG GLN A 99 -5.064 7.602 4.097 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.624 8.950 4.508 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -5.307 9.467 5.579 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -6.462 9.526 3.654 1.00 0.00 N ATOM 0 H GLN A 99 -2.246 5.758 2.612 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.739 6.988 1.663 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.962 7.208 4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.429 8.765 3.350 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.771 7.106 3.432 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.961 6.971 4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.697 9.061 2.777 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.871 10.434 3.875 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.806 8.939 0.382 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.252 9.882 -0.569 1.00 0.00 C ATOM 1575 C GLY A 100 -2.889 9.215 -1.879 1.00 0.00 C ATOM 1576 O GLY A 100 -3.007 7.998 -2.013 1.00 0.00 O ATOM 0 H GLY A 100 -4.817 8.997 0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.974 10.677 -0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.365 10.350 -0.142 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.446 10.005 -2.850 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.070 9.463 -4.149 1.00 0.00 C ATOM 1582 C ASP A 101 -0.676 8.848 -4.095 1.00 0.00 C ATOM 1583 O ASP A 101 0.328 9.533 -4.289 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.130 10.548 -5.226 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.199 11.709 -4.934 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -0.917 11.959 -3.744 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.751 12.367 -5.896 1.00 0.00 O ATOM 0 H ASP A 101 -2.339 11.016 -2.763 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.783 8.680 -4.407 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.870 10.112 -6.191 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.152 10.918 -5.308 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.630 7.548 -3.830 1.00 0.00 N ATOM 1593 CA GLN A 102 0.629 6.825 -3.747 1.00 0.00 C ATOM 1594 C GLN A 102 0.848 5.961 -4.984 1.00 0.00 C ATOM 1595 O GLN A 102 1.758 5.136 -5.019 1.00 0.00 O ATOM 1596 CB GLN A 102 0.646 5.949 -2.492 1.00 0.00 C ATOM 1597 CG GLN A 102 1.324 6.596 -1.293 1.00 0.00 C ATOM 1598 CD GLN A 102 1.011 8.073 -1.158 1.00 0.00 C ATOM 1599 OE1 GLN A 102 -0.260 8.425 -1.309 1.00 0.00 O flip ATOM 1600 NE2 GLN A 102 1.901 8.889 -0.921 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.456 6.972 -3.668 1.00 0.00 H new ATOM 0 HA GLN A 102 1.437 7.554 -3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.380 5.697 -2.224 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.154 5.013 -2.722 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.012 6.080 -0.385 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.403 6.466 -1.379 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.865 8.575 -0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.674 9.880 -0.833 1.00 0.00 H new ATOM 1609 N ARG A 103 0.009 6.153 -6.002 1.00 0.00 N ATOM 1610 CA ARG A 103 0.122 5.381 -7.238 1.00 0.00 C ATOM 1611 C ARG A 103 1.563 5.355 -7.743 1.00 0.00 C ATOM 1612 O ARG A 103 1.975 4.415 -8.424 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.798 5.963 -8.313 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.565 7.441 -8.581 1.00 0.00 C ATOM 1615 CD ARG A 103 -0.606 7.753 -10.069 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.880 8.344 -10.471 1.00 0.00 N ATOM 1617 CZ ARG A 103 -2.059 9.020 -11.603 1.00 0.00 C ATOM 1618 NH1 ARG A 103 -1.049 9.193 -12.447 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -3.251 9.524 -11.893 1.00 0.00 N ATOM 0 H ARG A 103 -0.752 6.832 -5.995 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.182 4.357 -7.022 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.656 5.408 -9.240 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.835 5.817 -8.010 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.323 8.029 -8.064 1.00 0.00 H new ATOM 0 HG3 ARG A 103 0.401 7.738 -8.173 1.00 0.00 H new ATOM 0 HD2 ARG A 103 0.205 8.437 -10.318 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -0.436 6.838 -10.636 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.679 8.232 -9.847 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -0.130 8.807 -12.229 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.192 9.712 -13.313 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -4.031 9.393 -11.248 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -3.388 10.042 -12.761 1.00 0.00 H new ATOM 1633 N LYS A 104 2.326 6.390 -7.403 1.00 0.00 N ATOM 1634 CA LYS A 104 3.720 6.484 -7.818 1.00 0.00 C ATOM 1635 C LYS A 104 4.661 6.077 -6.686 1.00 0.00 C ATOM 1636 O LYS A 104 5.791 5.653 -6.928 1.00 0.00 O ATOM 1637 CB LYS A 104 4.039 7.909 -8.274 1.00 0.00 C ATOM 1638 CG LYS A 104 4.357 8.018 -9.756 1.00 0.00 C ATOM 1639 CD LYS A 104 3.090 8.117 -10.588 1.00 0.00 C ATOM 1640 CE LYS A 104 2.572 6.744 -10.984 1.00 0.00 C ATOM 1641 NZ LYS A 104 2.575 6.553 -12.461 1.00 0.00 N ATOM 0 H LYS A 104 2.001 7.176 -6.840 1.00 0.00 H new ATOM 0 HA LYS A 104 3.871 5.797 -8.651 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.190 8.553 -8.045 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.887 8.283 -7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.980 8.895 -9.933 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.934 7.149 -10.071 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.323 8.647 -10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.288 8.704 -11.485 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.188 5.975 -10.517 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.559 6.615 -10.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.702 5.544 -12.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.671 6.882 -12.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.355 7.099 -12.880 1.00 0.00 H new ATOM 1655 N ASN A 105 4.190 6.214 -5.450 1.00 0.00 N ATOM 1656 CA ASN A 105 4.995 5.865 -4.283 1.00 0.00 C ATOM 1657 C ASN A 105 4.907 4.373 -3.976 1.00 0.00 C ATOM 1658 O ASN A 105 5.903 3.749 -3.613 1.00 0.00 O ATOM 1659 CB ASN A 105 4.536 6.671 -3.066 1.00 0.00 C ATOM 1660 CG ASN A 105 5.032 8.104 -3.102 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.201 8.376 -2.834 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.140 9.029 -3.435 1.00 0.00 N ATOM 0 H ASN A 105 3.257 6.563 -5.230 1.00 0.00 H new ATOM 0 HA ASN A 105 6.034 6.107 -4.508 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.447 6.667 -3.021 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.895 6.188 -2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.414 10.011 -3.476 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.180 8.758 -3.650 1.00 0.00 H new ATOM 1669 N ILE A 106 3.713 3.805 -4.116 1.00 0.00 N ATOM 1670 CA ILE A 106 3.515 2.388 -3.843 1.00 0.00 C ATOM 1671 C ILE A 106 4.352 1.525 -4.783 1.00 0.00 C ATOM 1672 O ILE A 106 5.107 0.663 -4.332 1.00 0.00 O ATOM 1673 CB ILE A 106 2.030 1.985 -3.936 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.838 0.567 -3.398 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.524 2.091 -5.366 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.377 0.372 -1.995 1.00 0.00 C ATOM 0 H ILE A 106 2.874 4.302 -4.415 1.00 0.00 H new ATOM 0 HA ILE A 106 3.846 2.215 -2.819 1.00 0.00 H new ATOM 0 HB ILE A 106 1.446 2.674 -3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.775 0.325 -3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.331 -0.137 -4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.474 1.801 -5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.629 3.119 -5.714 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.106 1.429 -6.008 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.206 -0.657 -1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.447 0.582 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.867 1.051 -1.312 1.00 0.00 H new ATOM 1688 N CYS A 107 4.246 1.776 -6.087 1.00 0.00 N ATOM 1689 CA CYS A 107 5.033 1.030 -7.062 1.00 0.00 C ATOM 1690 C CYS A 107 6.509 1.199 -6.733 1.00 0.00 C ATOM 1691 O CYS A 107 7.320 0.288 -6.913 1.00 0.00 O ATOM 1692 CB CYS A 107 4.746 1.529 -8.479 1.00 0.00 C ATOM 1693 SG CYS A 107 3.451 0.603 -9.337 1.00 0.00 S ATOM 0 H CYS A 107 3.629 2.483 -6.488 1.00 0.00 H new ATOM 0 HA CYS A 107 4.763 -0.025 -7.016 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.457 2.579 -8.432 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.664 1.477 -9.064 1.00 0.00 H new ATOM 0 HG CYS A 107 3.558 0.793 -10.619 1.00 0.00 H new ATOM 1699 N GLN A 108 6.831 2.379 -6.216 1.00 0.00 N ATOM 1700 CA GLN A 108 8.186 2.713 -5.813 1.00 0.00 C ATOM 1701 C GLN A 108 8.536 1.967 -4.527 1.00 0.00 C ATOM 1702 O GLN A 108 9.685 1.587 -4.308 1.00 0.00 O ATOM 1703 CB GLN A 108 8.294 4.235 -5.623 1.00 0.00 C ATOM 1704 CG GLN A 108 9.433 4.695 -4.724 1.00 0.00 C ATOM 1705 CD GLN A 108 10.707 4.977 -5.496 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.531 3.951 -5.671 1.00 0.00 O flip ATOM 1707 NE2 GLN A 108 10.947 6.103 -5.930 1.00 0.00 N flip ATOM 0 H GLN A 108 6.157 3.130 -6.066 1.00 0.00 H new ATOM 0 HA GLN A 108 8.895 2.409 -6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.414 4.700 -6.602 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.355 4.601 -5.209 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.129 5.596 -4.190 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.630 3.930 -3.973 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.285 6.862 -5.772 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.808 6.277 -6.448 1.00 0.00 H new ATOM 1716 N PHE A 109 7.527 1.753 -3.687 1.00 0.00 N ATOM 1717 CA PHE A 109 7.707 1.046 -2.426 1.00 0.00 C ATOM 1718 C PHE A 109 7.880 -0.448 -2.669 1.00 0.00 C ATOM 1719 O PHE A 109 8.788 -1.076 -2.127 1.00 0.00 O ATOM 1720 CB PHE A 109 6.504 1.282 -1.514 1.00 0.00 C ATOM 1721 CG PHE A 109 6.626 0.613 -0.176 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.531 1.078 0.763 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.834 -0.477 0.144 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.645 0.469 1.997 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.943 -1.092 1.376 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.850 -0.618 2.304 1.00 0.00 C ATOM 0 H PHE A 109 6.571 2.062 -3.860 1.00 0.00 H new ATOM 0 HA PHE A 109 8.606 1.430 -1.943 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.376 2.354 -1.365 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.604 0.920 -2.012 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.155 1.927 0.527 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.123 -0.850 -0.578 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.355 0.842 2.721 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.320 -1.942 1.613 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.937 -1.097 3.268 1.00 0.00 H new ATOM 1736 N LEU A 110 6.998 -1.009 -3.491 1.00 0.00 N ATOM 1737 CA LEU A 110 7.043 -2.430 -3.814 1.00 0.00 C ATOM 1738 C LEU A 110 8.399 -2.810 -4.395 1.00 0.00 C ATOM 1739 O LEU A 110 8.859 -3.940 -4.238 1.00 0.00 O ATOM 1740 CB LEU A 110 5.931 -2.781 -4.805 1.00 0.00 C ATOM 1741 CG LEU A 110 4.584 -3.155 -4.177 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.257 -2.237 -3.006 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.479 -3.097 -5.220 1.00 0.00 C ATOM 0 H LEU A 110 6.241 -0.499 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 110 6.892 -2.995 -2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.779 -1.931 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.268 -3.613 -5.423 1.00 0.00 H new ATOM 0 HG LEU A 110 4.656 -4.175 -3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.296 -2.522 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.034 -2.325 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.206 -1.206 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.529 -3.365 -4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.414 -2.087 -5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.702 -3.797 -6.025 1.00 0.00 H new ATOM 1755 N VAL A 111 9.035 -1.857 -5.068 1.00 0.00 N ATOM 1756 CA VAL A 111 10.340 -2.094 -5.670 1.00 0.00 C ATOM 1757 C VAL A 111 11.462 -1.730 -4.701 1.00 0.00 C ATOM 1758 O VAL A 111 12.547 -2.311 -4.747 1.00 0.00 O ATOM 1759 CB VAL A 111 10.509 -1.288 -6.973 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.874 -1.544 -7.595 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.397 -1.628 -7.956 1.00 0.00 C ATOM 0 H VAL A 111 8.668 -0.916 -5.210 1.00 0.00 H new ATOM 0 HA VAL A 111 10.399 -3.157 -5.903 1.00 0.00 H new ATOM 0 HB VAL A 111 10.443 -0.227 -6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.970 -0.964 -8.513 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.655 -1.246 -6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.977 -2.605 -7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.531 -1.051 -8.871 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.431 -2.692 -8.190 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.432 -1.385 -7.512 1.00 0.00 H new ATOM 1771 N GLU A 112 11.195 -0.769 -3.824 1.00 0.00 N ATOM 1772 CA GLU A 112 12.182 -0.333 -2.843 1.00 0.00 C ATOM 1773 C GLU A 112 12.383 -1.396 -1.768 1.00 0.00 C ATOM 1774 O GLU A 112 13.514 -1.726 -1.409 1.00 0.00 O ATOM 1775 CB GLU A 112 11.744 0.981 -2.193 1.00 0.00 C ATOM 1776 CG GLU A 112 12.012 2.206 -3.052 1.00 0.00 C ATOM 1777 CD GLU A 112 13.142 3.061 -2.513 1.00 0.00 C ATOM 1778 OE1 GLU A 112 14.229 2.509 -2.243 1.00 0.00 O ATOM 1779 OE2 GLU A 112 12.939 4.285 -2.361 1.00 0.00 O ATOM 0 H GLU A 112 10.303 -0.277 -3.772 1.00 0.00 H new ATOM 0 HA GLU A 112 13.127 -0.177 -3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.678 0.929 -1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.262 1.095 -1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.254 1.888 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.105 2.807 -3.114 1.00 0.00 H new ATOM 1786 N ILE A 113 11.277 -1.926 -1.259 1.00 0.00 N ATOM 1787 CA ILE A 113 11.323 -2.949 -0.221 1.00 0.00 C ATOM 1788 C ILE A 113 11.485 -4.345 -0.821 1.00 0.00 C ATOM 1789 O ILE A 113 11.872 -5.286 -0.127 1.00 0.00 O ATOM 1790 CB ILE A 113 10.048 -2.919 0.653 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.858 -3.528 -0.099 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.735 -1.492 1.079 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.563 -3.496 0.684 1.00 0.00 C ATOM 0 H ILE A 113 10.335 -1.663 -1.549 1.00 0.00 H new ATOM 0 HA ILE A 113 12.189 -2.727 0.402 1.00 0.00 H new ATOM 0 HB ILE A 113 10.228 -3.519 1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.719 -2.990 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.092 -4.561 -0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.835 -1.485 1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.570 -1.092 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.575 -0.875 0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.767 -3.943 0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.684 -4.058 1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.305 -2.463 0.918 1.00 0.00 H new ATOM 1805 N GLY A 114 11.171 -4.477 -2.106 1.00 0.00 N ATOM 1806 CA GLY A 114 11.272 -5.766 -2.764 1.00 0.00 C ATOM 1807 C GLY A 114 10.000 -6.573 -2.609 1.00 0.00 C ATOM 1808 O GLY A 114 10.035 -7.802 -2.549 1.00 0.00 O ATOM 0 H GLY A 114 10.849 -3.715 -2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.483 -5.619 -3.823 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.110 -6.324 -2.346 1.00 0.00 H new ATOM 1812 N LEU A 115 8.874 -5.870 -2.538 1.00 0.00 N ATOM 1813 CA LEU A 115 7.573 -6.511 -2.382 1.00 0.00 C ATOM 1814 C LEU A 115 7.105 -7.120 -3.698 1.00 0.00 C ATOM 1815 O LEU A 115 7.052 -8.341 -3.844 1.00 0.00 O ATOM 1816 CB LEU A 115 6.546 -5.492 -1.877 1.00 0.00 C ATOM 1817 CG LEU A 115 5.552 -6.019 -0.837 1.00 0.00 C ATOM 1818 CD1 LEU A 115 6.275 -6.764 0.276 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.727 -4.875 -0.265 1.00 0.00 C ATOM 0 H LEU A 115 8.837 -4.852 -2.586 1.00 0.00 H new ATOM 0 HA LEU A 115 7.670 -7.314 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.081 -4.645 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.985 -5.113 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 115 4.880 -6.720 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.548 -7.128 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.821 -7.608 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.975 -6.090 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.026 -5.265 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.389 -4.152 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.175 -4.387 -1.068 1.00 0.00 H new ATOM 1831 N ALA A 116 6.767 -6.262 -4.653 1.00 0.00 N ATOM 1832 CA ALA A 116 6.307 -6.718 -5.958 1.00 0.00 C ATOM 1833 C ALA A 116 7.468 -6.818 -6.939 1.00 0.00 C ATOM 1834 O ALA A 116 8.632 -6.713 -6.550 1.00 0.00 O ATOM 1835 CB ALA A 116 5.239 -5.779 -6.498 1.00 0.00 C ATOM 0 H ALA A 116 6.803 -5.248 -4.548 1.00 0.00 H new ATOM 0 HA ALA A 116 5.875 -7.712 -5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.904 -6.131 -7.474 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.393 -5.756 -5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.653 -4.776 -6.597 1.00 0.00 H new ATOM 1841 N LYS A 117 7.146 -7.014 -8.212 1.00 0.00 N ATOM 1842 CA LYS A 117 8.164 -7.121 -9.250 1.00 0.00 C ATOM 1843 C LYS A 117 8.035 -5.972 -10.244 1.00 0.00 C ATOM 1844 O LYS A 117 6.929 -5.522 -10.545 1.00 0.00 O ATOM 1845 CB LYS A 117 8.043 -8.460 -9.978 1.00 0.00 C ATOM 1846 CG LYS A 117 8.848 -9.578 -9.334 1.00 0.00 C ATOM 1847 CD LYS A 117 10.072 -9.935 -10.161 1.00 0.00 C ATOM 1848 CE LYS A 117 11.262 -9.060 -9.803 1.00 0.00 C ATOM 1849 NZ LYS A 117 12.543 -9.819 -9.845 1.00 0.00 N ATOM 0 H LYS A 117 6.188 -7.102 -8.550 1.00 0.00 H new ATOM 0 HA LYS A 117 9.144 -7.065 -8.777 1.00 0.00 H new ATOM 0 HB2 LYS A 117 6.993 -8.752 -10.012 1.00 0.00 H new ATOM 0 HB3 LYS A 117 8.372 -8.334 -11.010 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.160 -9.274 -8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.218 -10.460 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.328 -10.982 -10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 117 9.842 -9.822 -11.220 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.315 -8.219 -10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 117 11.119 -8.644 -8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.330 -9.186 -9.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 12.502 -10.606 -9.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.692 -10.195 -10.803 1.00 0.00 H new ATOM 1863 N ASP A 118 9.169 -5.497 -10.750 1.00 0.00 N ATOM 1864 CA ASP A 118 9.173 -4.395 -11.708 1.00 0.00 C ATOM 1865 C ASP A 118 8.249 -4.692 -12.884 1.00 0.00 C ATOM 1866 O ASP A 118 7.665 -3.782 -13.474 1.00 0.00 O ATOM 1867 CB ASP A 118 10.591 -4.127 -12.212 1.00 0.00 C ATOM 1868 CG ASP A 118 11.177 -5.311 -12.955 1.00 0.00 C ATOM 1869 OD1 ASP A 118 10.623 -5.683 -14.012 1.00 0.00 O ATOM 1870 OD2 ASP A 118 12.189 -5.869 -12.480 1.00 0.00 O ATOM 0 H ASP A 118 10.094 -5.856 -10.514 1.00 0.00 H new ATOM 0 HA ASP A 118 8.806 -3.505 -11.197 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.581 -3.258 -12.870 1.00 0.00 H new ATOM 0 HB3 ASP A 118 11.233 -3.879 -11.367 1.00 0.00 H new ATOM 1875 N ASP A 119 8.111 -5.972 -13.215 1.00 0.00 N ATOM 1876 CA ASP A 119 7.249 -6.388 -14.313 1.00 0.00 C ATOM 1877 C ASP A 119 5.793 -6.410 -13.864 1.00 0.00 C ATOM 1878 O ASP A 119 4.881 -6.211 -14.667 1.00 0.00 O ATOM 1879 CB ASP A 119 7.661 -7.771 -14.821 1.00 0.00 C ATOM 1880 CG ASP A 119 8.769 -7.703 -15.854 1.00 0.00 C ATOM 1881 OD1 ASP A 119 9.120 -6.580 -16.278 1.00 0.00 O ATOM 1882 OD2 ASP A 119 9.287 -8.772 -16.241 1.00 0.00 O ATOM 0 H ASP A 119 8.586 -6.738 -12.738 1.00 0.00 H new ATOM 0 HA ASP A 119 7.356 -5.670 -15.126 1.00 0.00 H new ATOM 0 HB2 ASP A 119 7.990 -8.381 -13.979 1.00 0.00 H new ATOM 0 HB3 ASP A 119 6.794 -8.268 -15.255 1.00 0.00 H new ATOM 1887 N GLN A 120 5.587 -6.647 -12.573 1.00 0.00 N ATOM 1888 CA GLN A 120 4.245 -6.690 -12.007 1.00 0.00 C ATOM 1889 C GLN A 120 3.709 -5.287 -11.742 1.00 0.00 C ATOM 1890 O GLN A 120 2.527 -5.114 -11.448 1.00 0.00 O ATOM 1891 CB GLN A 120 4.242 -7.484 -10.704 1.00 0.00 C ATOM 1892 CG GLN A 120 4.541 -8.963 -10.875 1.00 0.00 C ATOM 1893 CD GLN A 120 4.440 -9.716 -9.566 1.00 0.00 C ATOM 1894 OE1 GLN A 120 3.314 -9.549 -8.881 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 5.358 -10.437 -9.174 1.00 0.00 N flip ATOM 0 H GLN A 120 6.334 -6.812 -11.898 1.00 0.00 H new ATOM 0 HA GLN A 120 3.598 -7.179 -12.735 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.979 -7.052 -10.027 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.268 -7.375 -10.227 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.845 -9.393 -11.595 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.543 -9.085 -11.287 1.00 0.00 H new ATOM 0 HE21 GLN A 120 6.205 -10.535 -9.734 1.00 0.00 H new ATOM 0 HE22 GLN A 120 5.272 -10.937 -8.289 1.00 0.00 H new ATOM 1904 N LEU A 121 4.585 -4.290 -11.836 1.00 0.00 N ATOM 1905 CA LEU A 121 4.200 -2.902 -11.595 1.00 0.00 C ATOM 1906 C LEU A 121 2.962 -2.525 -12.401 1.00 0.00 C ATOM 1907 O LEU A 121 3.064 -2.055 -13.534 1.00 0.00 O ATOM 1908 CB LEU A 121 5.356 -1.962 -11.942 1.00 0.00 C ATOM 1909 CG LEU A 121 6.534 -1.997 -10.966 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.751 -1.314 -11.573 1.00 0.00 C ATOM 1911 CD2 LEU A 121 6.154 -1.341 -9.647 1.00 0.00 C ATOM 0 H LEU A 121 5.568 -4.418 -12.078 1.00 0.00 H new ATOM 0 HA LEU A 121 3.962 -2.800 -10.536 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.721 -2.212 -12.938 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.973 -0.942 -11.990 1.00 0.00 H new ATOM 0 HG LEU A 121 6.788 -3.039 -10.770 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.579 -1.349 -10.865 1.00 0.00 H new ATOM 0 HD12 LEU A 121 8.037 -1.828 -12.491 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.510 -0.275 -11.799 1.00 0.00 H new ATOM 0 HD21 LEU A 121 7.004 -1.375 -8.965 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.873 -0.303 -9.825 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.313 -1.874 -9.205 1.00 0.00 H new ATOM 1923 N LYS A 122 1.794 -2.732 -11.804 1.00 0.00 N ATOM 1924 CA LYS A 122 0.532 -2.413 -12.456 1.00 0.00 C ATOM 1925 C LYS A 122 -0.135 -1.227 -11.771 1.00 0.00 C ATOM 1926 O LYS A 122 -1.016 -1.398 -10.929 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.395 -3.629 -12.435 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.310 -4.471 -13.696 1.00 0.00 C ATOM 1929 CD LYS A 122 -0.869 -3.732 -14.901 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.058 -4.015 -16.156 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.920 -4.466 -17.283 1.00 0.00 N ATOM 0 H LYS A 122 1.696 -3.121 -10.866 1.00 0.00 H new ATOM 0 HA LYS A 122 0.734 -2.145 -13.493 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.148 -4.250 -11.574 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.423 -3.291 -12.300 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.729 -4.742 -13.884 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.860 -5.401 -13.551 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -1.905 -4.029 -15.062 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.871 -2.660 -14.702 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.483 -3.115 -16.450 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.689 -4.780 -15.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.330 -4.649 -18.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.417 -5.339 -17.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.616 -3.726 -17.505 1.00 0.00 H new ATOM 1945 N VAL A 123 0.300 -0.023 -12.130 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.245 1.192 -11.540 1.00 0.00 C ATOM 1947 C VAL A 123 -1.415 1.740 -12.351 1.00 0.00 C ATOM 1948 O VAL A 123 -1.278 2.038 -13.538 1.00 0.00 O ATOM 1949 CB VAL A 123 0.835 2.285 -11.411 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.341 2.709 -12.783 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.297 3.480 -10.639 1.00 0.00 C ATOM 0 H VAL A 123 1.028 0.136 -12.826 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.603 0.920 -10.547 1.00 0.00 H new ATOM 0 HB VAL A 123 1.676 1.871 -10.855 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.102 3.481 -12.668 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.772 1.848 -13.294 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.512 3.102 -13.371 1.00 0.00 H new ATOM 0 HG21 VAL A 123 1.074 4.241 -10.558 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.564 3.894 -11.164 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.005 3.162 -9.641 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.562 1.883 -11.694 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.758 2.409 -12.341 1.00 0.00 C ATOM 1963 C HIS A 124 -4.395 3.483 -11.471 1.00 0.00 C ATOM 1964 O HIS A 124 -5.619 3.578 -11.374 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.762 1.287 -12.605 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.151 0.077 -13.238 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.296 -0.226 -14.574 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.391 -0.910 -12.709 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.652 -1.348 -14.840 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.093 -1.783 -13.725 1.00 0.00 N ATOM 0 H HIS A 124 -2.688 1.641 -10.711 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.469 2.850 -13.295 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.228 0.998 -11.663 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.555 1.664 -13.251 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -4.819 0.329 -15.252 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.077 -0.995 -11.679 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.593 -1.828 -15.805 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.552 4.285 -10.827 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.042 5.338 -9.960 1.00 0.00 C ATOM 1981 C GLY A 125 -5.031 6.260 -10.646 1.00 0.00 C ATOM 1982 O GLY A 125 -4.641 7.254 -11.257 1.00 0.00 O ATOM 0 H GLY A 125 -2.536 4.223 -10.891 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.517 4.890 -9.087 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.198 5.925 -9.598 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.315 5.932 -10.539 1.00 0.00 N ATOM 1987 CA PHE A 126 -7.361 6.743 -11.147 1.00 0.00 C ATOM 1988 C PHE A 126 -7.194 6.806 -12.662 1.00 0.00 C ATOM 1989 O PHE A 126 -6.383 7.632 -13.132 1.00 0.00 O ATOM 1990 CB PHE A 126 -7.337 8.150 -10.553 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.645 8.581 -9.960 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -9.839 8.320 -10.612 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -8.677 9.251 -8.748 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -11.043 8.719 -10.066 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -9.879 9.652 -8.197 1.00 0.00 C ATOM 1996 CZ PHE A 126 -11.063 9.386 -8.856 1.00 0.00 C ATOM 1997 OXT PHE A 126 -7.873 6.029 -13.365 1.00 0.00 O ATOM 0 H PHE A 126 -6.654 5.111 -10.037 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.324 6.280 -10.934 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -6.567 8.196 -9.783 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -7.051 8.858 -11.331 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -9.828 7.799 -11.558 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -7.754 9.462 -8.229 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -11.967 8.510 -10.584 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -9.893 10.173 -7.251 1.00 0.00 H new ATOM 0 HZ PHE A 126 -12.003 9.699 -8.426 1.00 0.00 H new