USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=18 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 152:sc= 0 USER MOD Set 1.2: A 102 GLN :FLIP amide:sc= -3.08 F(o=-6.2!,f=-3.1) USER MOD Set 2.1: A 50 GLN : amide:sc= -0.314 X(o=-1.2,f=-1) USER MOD Set 2.2: A 56 THR OG1 : rot 160:sc= -0.913 USER MOD Set 3.1: A 49 GLN : amide:sc= -1.67 K(o=-11,f=-12!) USER MOD Set 3.2: A 59 THR OG1 : rot -99:sc= 0.631 USER MOD Set 3.3: A 97 GLN : amide:sc= -10.4! C(o=-11!,f=-19!) USER MOD Set 4.1: A 45 HIS : no HD1:sc= -4.28! C(o=-8.9!,f=-9.6!) USER MOD Set 4.2: A 124 HIS : no HE2:sc= -4.64! C(o=-8.9!,f=-12!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.537 F(o=-1.1,f=-0.54) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -120:sc= -0.0389 USER MOD Single : A 61 GLN :FLIP amide:sc= -6.02! C(o=-6.7!,f=-6!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN :FLIP amide:sc= -1.43 F(o=-3.7!,f=-1.4) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -3.14! C(o=-3.1!,f=-5.7!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 149:sc= -0.27 (180deg=-0.941) USER MOD Single : A 105 ASN : amide:sc= -1.9 X(o=-1.9,f=-1.7!) USER MOD Single : A 107 CYS SG : rot 180:sc= -2.83! USER MOD Single : A 108 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 171:sc= 0.638 (180deg=0.594) USER MOD Single : A 120 GLN :FLIP amide:sc= -1.75 F(o=-3.2!,f=-1.7) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 606 N ASP A 42 0.924 -12.562 -13.675 1.00 0.00 N ATOM 607 CA ASP A 42 0.444 -12.287 -12.324 1.00 0.00 C ATOM 608 C ASP A 42 0.956 -10.938 -11.825 1.00 0.00 C ATOM 609 O ASP A 42 1.686 -10.860 -10.838 1.00 0.00 O ATOM 610 CB ASP A 42 0.875 -13.406 -11.371 1.00 0.00 C ATOM 611 CG ASP A 42 -0.292 -14.266 -10.926 1.00 0.00 C ATOM 612 OD1 ASP A 42 -1.372 -13.704 -10.647 1.00 0.00 O ATOM 613 OD2 ASP A 42 -0.127 -15.503 -10.856 1.00 0.00 O ATOM 0 HA ASP A 42 -0.645 -12.246 -12.351 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.618 -14.033 -11.863 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.356 -12.969 -10.496 1.00 0.00 H new ATOM 618 N TYR A 43 0.567 -9.877 -12.521 1.00 0.00 N ATOM 619 CA TYR A 43 0.983 -8.529 -12.156 1.00 0.00 C ATOM 620 C TYR A 43 0.394 -8.120 -10.813 1.00 0.00 C ATOM 621 O TYR A 43 -0.385 -8.860 -10.210 1.00 0.00 O ATOM 622 CB TYR A 43 0.554 -7.530 -13.233 1.00 0.00 C ATOM 623 CG TYR A 43 1.063 -7.859 -14.621 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.284 -8.499 -14.809 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.322 -7.519 -15.745 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.748 -8.788 -16.077 1.00 0.00 C ATOM 627 CE2 TYR A 43 0.779 -7.807 -17.016 1.00 0.00 C ATOM 628 CZ TYR A 43 1.993 -8.441 -17.177 1.00 0.00 C ATOM 629 OH TYR A 43 2.453 -8.727 -18.441 1.00 0.00 O ATOM 0 H TYR A 43 -0.036 -9.924 -13.342 1.00 0.00 H new ATOM 0 HA TYR A 43 2.070 -8.525 -12.074 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.535 -7.485 -13.258 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.908 -6.537 -12.954 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.878 -8.774 -13.950 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.628 -7.021 -15.623 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.699 -9.284 -16.206 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.189 -7.537 -17.879 1.00 0.00 H new ATOM 0 HH TYR A 43 1.801 -8.418 -19.104 1.00 0.00 H new ATOM 639 N ILE A 44 0.763 -6.930 -10.354 1.00 0.00 N ATOM 640 CA ILE A 44 0.267 -6.407 -9.088 1.00 0.00 C ATOM 641 C ILE A 44 -0.537 -5.134 -9.325 1.00 0.00 C ATOM 642 O ILE A 44 0.026 -4.060 -9.541 1.00 0.00 O ATOM 643 CB ILE A 44 1.416 -6.119 -8.098 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.146 -7.413 -7.730 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.891 -5.434 -6.843 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.221 -8.535 -7.307 1.00 0.00 C ATOM 0 H ILE A 44 1.407 -6.307 -10.842 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.374 -7.170 -8.647 1.00 0.00 H new ATOM 0 HB ILE A 44 2.122 -5.447 -8.586 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.735 -7.743 -8.585 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.846 -7.207 -6.921 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.719 -5.241 -6.160 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.417 -4.491 -7.115 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.161 -6.079 -6.355 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.810 -9.419 -7.062 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.650 -8.225 -6.432 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.537 -8.770 -8.123 1.00 0.00 H new ATOM 658 N HIS A 45 -1.857 -5.267 -9.300 1.00 0.00 N ATOM 659 CA HIS A 45 -2.745 -4.136 -9.528 1.00 0.00 C ATOM 660 C HIS A 45 -2.687 -3.133 -8.382 1.00 0.00 C ATOM 661 O HIS A 45 -2.842 -3.489 -7.216 1.00 0.00 O ATOM 662 CB HIS A 45 -4.180 -4.624 -9.728 1.00 0.00 C ATOM 663 CG HIS A 45 -4.733 -4.312 -11.083 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.417 -5.040 -12.210 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.582 -3.339 -11.491 1.00 0.00 C ATOM 666 CE1 HIS A 45 -5.048 -4.530 -13.253 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.761 -3.498 -12.843 1.00 0.00 N ATOM 0 H HIS A 45 -2.337 -6.150 -9.124 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.408 -3.627 -10.431 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.214 -5.702 -9.570 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.819 -4.170 -8.970 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.034 -2.580 -10.869 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.990 -4.895 -14.268 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.350 -2.913 -13.435 1.00 0.00 H new ATOM 676 N ILE A 46 -2.483 -1.872 -8.738 1.00 0.00 N ATOM 677 CA ILE A 46 -2.423 -0.792 -7.767 1.00 0.00 C ATOM 678 C ILE A 46 -3.442 0.273 -8.136 1.00 0.00 C ATOM 679 O ILE A 46 -3.270 1.007 -9.107 1.00 0.00 O ATOM 680 CB ILE A 46 -1.015 -0.180 -7.692 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.081 -1.181 -7.001 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.049 1.162 -6.967 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.625 -0.650 -5.771 1.00 0.00 C ATOM 0 H ILE A 46 -2.355 -1.571 -9.704 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.656 -1.198 -6.783 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.638 0.016 -8.696 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.660 -2.060 -6.719 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.670 -1.511 -7.719 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.043 1.578 -6.925 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.704 1.849 -7.503 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.425 1.019 -5.954 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.262 -1.429 -5.352 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.236 0.210 -6.045 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.114 -0.348 -5.029 1.00 0.00 H new ATOM 695 N ARG A 47 -4.517 0.322 -7.373 1.00 0.00 N ATOM 696 CA ARG A 47 -5.595 1.268 -7.637 1.00 0.00 C ATOM 697 C ARG A 47 -5.534 2.489 -6.727 1.00 0.00 C ATOM 698 O ARG A 47 -4.834 2.499 -5.716 1.00 0.00 O ATOM 699 CB ARG A 47 -6.950 0.573 -7.484 1.00 0.00 C ATOM 700 CG ARG A 47 -7.846 0.711 -8.706 1.00 0.00 C ATOM 701 CD ARG A 47 -8.396 -0.634 -9.153 1.00 0.00 C ATOM 702 NE ARG A 47 -9.343 -0.498 -10.257 1.00 0.00 N ATOM 703 CZ ARG A 47 -9.700 -1.502 -11.055 1.00 0.00 C ATOM 704 NH1 ARG A 47 -9.192 -2.715 -10.875 1.00 0.00 N ATOM 705 NH2 ARG A 47 -10.568 -1.293 -12.035 1.00 0.00 N ATOM 0 H ARG A 47 -4.671 -0.280 -6.564 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.471 1.620 -8.661 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.785 -0.485 -7.282 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.465 0.987 -6.617 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.672 1.385 -8.478 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.282 1.163 -9.522 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.572 -1.279 -9.459 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.888 -1.122 -8.312 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.755 0.420 -10.426 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.524 -2.882 -10.122 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.469 -3.480 -11.490 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.962 -0.363 -12.177 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.842 -2.062 -12.647 1.00 0.00 H new ATOM 719 N ILE A 48 -6.291 3.512 -7.105 1.00 0.00 N ATOM 720 CA ILE A 48 -6.365 4.755 -6.347 1.00 0.00 C ATOM 721 C ILE A 48 -7.822 5.213 -6.247 1.00 0.00 C ATOM 722 O ILE A 48 -8.588 5.065 -7.200 1.00 0.00 O ATOM 723 CB ILE A 48 -5.493 5.860 -7.001 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.779 6.692 -5.938 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.321 6.772 -7.895 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.938 7.805 -6.529 1.00 0.00 C ATOM 0 H ILE A 48 -6.870 3.503 -7.945 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.977 4.574 -5.345 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.749 5.357 -7.619 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.519 7.122 -5.262 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.142 6.040 -5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.676 7.533 -8.335 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.782 6.183 -8.688 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.099 7.254 -7.303 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.455 8.362 -5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.178 7.378 -7.183 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.576 8.477 -7.104 1.00 0.00 H new ATOM 738 N GLN A 49 -8.209 5.756 -5.099 1.00 0.00 N ATOM 739 CA GLN A 49 -9.582 6.213 -4.910 1.00 0.00 C ATOM 740 C GLN A 49 -9.626 7.641 -4.382 1.00 0.00 C ATOM 741 O GLN A 49 -9.611 7.865 -3.173 1.00 0.00 O ATOM 742 CB GLN A 49 -10.330 5.279 -3.959 1.00 0.00 C ATOM 743 CG GLN A 49 -9.593 5.013 -2.657 1.00 0.00 C ATOM 744 CD GLN A 49 -9.496 3.535 -2.333 1.00 0.00 C ATOM 745 OE1 GLN A 49 -8.721 2.802 -2.947 1.00 0.00 O ATOM 746 NE2 GLN A 49 -10.286 3.089 -1.362 1.00 0.00 N ATOM 0 H GLN A 49 -7.600 5.890 -4.292 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.072 6.198 -5.883 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.305 5.711 -3.732 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.511 4.330 -4.464 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.590 5.434 -2.719 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.104 5.527 -1.843 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.913 3.732 -0.879 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.265 2.104 -1.099 1.00 0.00 H new ATOM 755 N GLN A 50 -9.689 8.600 -5.301 1.00 0.00 N ATOM 756 CA GLN A 50 -9.741 10.012 -4.937 1.00 0.00 C ATOM 757 C GLN A 50 -11.181 10.507 -4.863 1.00 0.00 C ATOM 758 O GLN A 50 -11.793 10.828 -5.881 1.00 0.00 O ATOM 759 CB GLN A 50 -8.954 10.846 -5.950 1.00 0.00 C ATOM 760 CG GLN A 50 -8.454 12.168 -5.390 1.00 0.00 C ATOM 761 CD GLN A 50 -7.233 12.687 -6.124 1.00 0.00 C ATOM 762 OE1 GLN A 50 -7.040 12.406 -7.307 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.401 13.447 -5.422 1.00 0.00 N ATOM 0 H GLN A 50 -9.705 8.424 -6.306 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.290 10.124 -3.951 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.102 10.265 -6.303 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.586 11.043 -6.816 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.251 12.909 -5.450 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.213 12.043 -4.334 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.602 13.654 -4.444 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.561 13.824 -5.861 1.00 0.00 H new ATOM 772 N ARG A 51 -11.714 10.569 -3.646 1.00 0.00 N ATOM 773 CA ARG A 51 -13.082 11.029 -3.433 1.00 0.00 C ATOM 774 C ARG A 51 -13.116 12.542 -3.241 1.00 0.00 C ATOM 775 O ARG A 51 -12.262 13.110 -2.559 1.00 0.00 O ATOM 776 CB ARG A 51 -13.699 10.333 -2.214 1.00 0.00 C ATOM 777 CG ARG A 51 -13.192 8.914 -1.988 1.00 0.00 C ATOM 778 CD ARG A 51 -13.264 8.081 -3.260 1.00 0.00 C ATOM 779 NE ARG A 51 -13.866 6.772 -3.024 1.00 0.00 N ATOM 780 CZ ARG A 51 -15.176 6.571 -2.900 1.00 0.00 C ATOM 781 NH1 ARG A 51 -16.022 7.589 -2.982 1.00 0.00 N ATOM 782 NH2 ARG A 51 -15.641 5.346 -2.692 1.00 0.00 N ATOM 0 H ARG A 51 -11.220 10.307 -2.793 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.667 10.775 -4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.491 10.928 -1.325 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.782 10.306 -2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.162 8.948 -1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.783 8.437 -1.206 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.844 8.617 -4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.261 7.951 -3.665 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.247 5.965 -2.950 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.670 8.533 -3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.025 7.428 -2.886 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.995 4.559 -2.627 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.645 5.191 -2.597 1.00 0.00 H new ATOM 796 N ASN A 52 -14.104 13.189 -3.848 1.00 0.00 N ATOM 797 CA ASN A 52 -14.247 14.637 -3.747 1.00 0.00 C ATOM 798 C ASN A 52 -13.033 15.349 -4.338 1.00 0.00 C ATOM 799 O ASN A 52 -12.755 16.502 -4.007 1.00 0.00 O ATOM 800 CB ASN A 52 -14.434 15.053 -2.286 1.00 0.00 C ATOM 801 CG ASN A 52 -14.915 16.485 -2.150 1.00 0.00 C ATOM 802 OD1 ASN A 52 -13.992 17.393 -1.854 1.00 0.00 O flip ATOM 803 ND2 ASN A 52 -16.102 16.770 -2.308 1.00 0.00 N flip ATOM 0 H ASN A 52 -14.819 12.734 -4.416 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.129 14.928 -4.317 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.151 14.385 -1.810 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.489 14.938 -1.754 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.776 16.039 -2.535 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.411 17.737 -2.212 1.00 0.00 H new ATOM 810 N GLY A 53 -12.316 14.657 -5.218 1.00 0.00 N ATOM 811 CA GLY A 53 -11.144 15.239 -5.843 1.00 0.00 C ATOM 812 C GLY A 53 -10.065 15.588 -4.839 1.00 0.00 C ATOM 813 O GLY A 53 -9.445 16.647 -4.929 1.00 0.00 O ATOM 0 H GLY A 53 -12.527 13.702 -5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.742 14.539 -6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.435 16.138 -6.387 1.00 0.00 H new ATOM 817 N ARG A 54 -9.840 14.698 -3.878 1.00 0.00 N ATOM 818 CA ARG A 54 -8.827 14.926 -2.855 1.00 0.00 C ATOM 819 C ARG A 54 -8.677 13.711 -1.944 1.00 0.00 C ATOM 820 O ARG A 54 -7.563 13.309 -1.611 1.00 0.00 O ATOM 821 CB ARG A 54 -9.184 16.167 -2.032 1.00 0.00 C ATOM 822 CG ARG A 54 -10.354 15.960 -1.080 1.00 0.00 C ATOM 823 CD ARG A 54 -10.612 17.198 -0.237 1.00 0.00 C ATOM 824 NE ARG A 54 -9.493 17.494 0.654 1.00 0.00 N ATOM 825 CZ ARG A 54 -9.576 18.311 1.703 1.00 0.00 C ATOM 826 NH1 ARG A 54 -10.722 18.915 1.992 1.00 0.00 N ATOM 827 NH2 ARG A 54 -8.510 18.525 2.462 1.00 0.00 N ATOM 0 H ARG A 54 -10.343 13.816 -3.787 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.871 15.090 -3.353 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.310 16.473 -1.457 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.421 16.986 -2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.250 15.714 -1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.148 15.111 -0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.791 18.052 -0.891 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.517 17.053 0.353 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.595 17.049 0.462 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.544 18.754 1.410 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.781 19.540 2.796 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.627 18.064 2.243 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.573 19.150 3.265 1.00 0.00 H new ATOM 841 N LYS A 55 -9.804 13.131 -1.546 1.00 0.00 N ATOM 842 CA LYS A 55 -9.795 11.962 -0.676 1.00 0.00 C ATOM 843 C LYS A 55 -9.237 10.749 -1.415 1.00 0.00 C ATOM 844 O LYS A 55 -9.970 9.816 -1.743 1.00 0.00 O ATOM 845 CB LYS A 55 -11.209 11.670 -0.166 1.00 0.00 C ATOM 846 CG LYS A 55 -11.276 11.418 1.332 1.00 0.00 C ATOM 847 CD LYS A 55 -11.220 12.717 2.120 1.00 0.00 C ATOM 848 CE LYS A 55 -10.301 12.600 3.325 1.00 0.00 C ATOM 849 NZ LYS A 55 -10.071 13.918 3.979 1.00 0.00 N ATOM 0 H LYS A 55 -10.735 13.452 -1.812 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.151 12.171 0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.856 12.511 -0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.603 10.799 -0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.197 10.886 1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.449 10.774 1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.872 13.522 1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.223 12.986 2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.735 11.908 4.046 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.346 12.178 3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.439 13.795 4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.633 14.572 3.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.979 14.310 4.300 1.00 0.00 H new ATOM 863 N THR A 56 -7.936 10.774 -1.683 1.00 0.00 N ATOM 864 CA THR A 56 -7.278 9.685 -2.394 1.00 0.00 C ATOM 865 C THR A 56 -6.831 8.585 -1.436 1.00 0.00 C ATOM 866 O THR A 56 -6.410 8.856 -0.311 1.00 0.00 O ATOM 867 CB THR A 56 -6.081 10.216 -3.185 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.169 11.621 -3.346 1.00 0.00 O ATOM 869 CG2 THR A 56 -5.955 9.604 -4.563 1.00 0.00 C ATOM 0 H THR A 56 -7.315 11.539 -1.418 1.00 0.00 H new ATOM 0 HA THR A 56 -8.000 9.253 -3.087 1.00 0.00 H new ATOM 0 HB THR A 56 -5.204 9.939 -2.600 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.282 11.982 -3.555 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.086 10.024 -5.070 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.835 8.524 -4.472 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.853 9.822 -5.141 1.00 0.00 H new ATOM 877 N LEU A 57 -6.932 7.342 -1.895 1.00 0.00 N ATOM 878 CA LEU A 57 -6.545 6.188 -1.094 1.00 0.00 C ATOM 879 C LEU A 57 -5.996 5.078 -1.991 1.00 0.00 C ATOM 880 O LEU A 57 -6.742 4.212 -2.449 1.00 0.00 O ATOM 881 CB LEU A 57 -7.744 5.676 -0.293 1.00 0.00 C ATOM 882 CG LEU A 57 -7.678 5.951 1.211 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.076 5.973 1.813 1.00 0.00 C ATOM 884 CD2 LEU A 57 -6.806 4.913 1.904 1.00 0.00 C ATOM 0 H LEU A 57 -7.281 7.108 -2.824 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.762 6.493 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.650 6.132 -0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.833 4.601 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.228 6.932 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.008 6.170 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.665 6.757 1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.557 5.008 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.770 5.123 2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.225 3.920 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.797 4.952 1.492 1.00 0.00 H new ATOM 896 N THR A 58 -4.694 5.121 -2.250 1.00 0.00 N ATOM 897 CA THR A 58 -4.045 4.133 -3.108 1.00 0.00 C ATOM 898 C THR A 58 -4.126 2.730 -2.513 1.00 0.00 C ATOM 899 O THR A 58 -3.724 2.504 -1.374 1.00 0.00 O ATOM 900 CB THR A 58 -2.582 4.516 -3.331 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.480 5.824 -3.868 1.00 0.00 O ATOM 902 CG2 THR A 58 -1.854 3.578 -4.269 1.00 0.00 C ATOM 0 H THR A 58 -4.064 5.831 -1.877 1.00 0.00 H new ATOM 0 HA THR A 58 -4.572 4.124 -4.062 1.00 0.00 H new ATOM 0 HB THR A 58 -2.116 4.456 -2.347 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.029 5.787 -4.737 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.821 3.907 -4.383 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.870 2.568 -3.859 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.346 3.582 -5.242 1.00 0.00 H new ATOM 910 N THR A 59 -4.637 1.785 -3.299 1.00 0.00 N ATOM 911 CA THR A 59 -4.757 0.401 -2.854 1.00 0.00 C ATOM 912 C THR A 59 -3.819 -0.505 -3.642 1.00 0.00 C ATOM 913 O THR A 59 -3.356 -0.147 -4.725 1.00 0.00 O ATOM 914 CB THR A 59 -6.198 -0.093 -3.007 1.00 0.00 C ATOM 915 OG1 THR A 59 -6.919 0.725 -3.911 1.00 0.00 O ATOM 916 CG2 THR A 59 -6.964 -0.122 -1.704 1.00 0.00 C ATOM 0 H THR A 59 -4.974 1.954 -4.247 1.00 0.00 H new ATOM 0 HA THR A 59 -4.479 0.365 -1.801 1.00 0.00 H new ATOM 0 HB THR A 59 -6.112 -1.113 -3.382 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.458 1.371 -3.409 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.977 -0.482 -1.885 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.463 -0.788 -1.002 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.006 0.883 -1.284 1.00 0.00 H new ATOM 924 N VAL A 60 -3.547 -1.684 -3.093 1.00 0.00 N ATOM 925 CA VAL A 60 -2.668 -2.646 -3.751 1.00 0.00 C ATOM 926 C VAL A 60 -3.300 -4.033 -3.792 1.00 0.00 C ATOM 927 O VAL A 60 -3.704 -4.576 -2.763 1.00 0.00 O ATOM 928 CB VAL A 60 -1.300 -2.734 -3.051 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.368 -3.672 -3.806 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.686 -1.349 -2.925 1.00 0.00 C ATOM 0 H VAL A 60 -3.921 -1.997 -2.197 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.520 -2.289 -4.770 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.447 -3.140 -2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.593 -3.720 -3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.808 -4.668 -3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.221 -3.300 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.281 -1.424 -2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.552 -0.919 -3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.346 -0.710 -2.339 1.00 0.00 H new ATOM 940 N GLN A 61 -3.379 -4.599 -4.993 1.00 0.00 N ATOM 941 CA GLN A 61 -3.957 -5.925 -5.183 1.00 0.00 C ATOM 942 C GLN A 61 -2.953 -6.853 -5.861 1.00 0.00 C ATOM 943 O GLN A 61 -2.184 -6.427 -6.723 1.00 0.00 O ATOM 944 CB GLN A 61 -5.244 -5.846 -6.018 1.00 0.00 C ATOM 945 CG GLN A 61 -5.689 -4.427 -6.347 1.00 0.00 C ATOM 946 CD GLN A 61 -7.074 -4.364 -6.965 1.00 0.00 C ATOM 947 OE1 GLN A 61 -7.432 -5.382 -7.741 1.00 0.00 O flip ATOM 948 NE2 GLN A 61 -7.815 -3.403 -6.752 1.00 0.00 N flip ATOM 0 H GLN A 61 -3.049 -4.158 -5.851 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.205 -6.328 -4.201 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.094 -6.393 -6.949 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.046 -6.350 -5.478 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.677 -3.829 -5.436 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.971 -3.978 -7.033 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.502 -2.641 -6.150 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.741 -3.369 -7.178 1.00 0.00 H new ATOM 957 N GLY A 62 -2.963 -8.119 -5.463 1.00 0.00 N ATOM 958 CA GLY A 62 -2.046 -9.085 -6.040 1.00 0.00 C ATOM 959 C GLY A 62 -0.978 -9.516 -5.056 1.00 0.00 C ATOM 960 O GLY A 62 -0.448 -10.624 -5.149 1.00 0.00 O ATOM 0 H GLY A 62 -3.589 -8.495 -4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.604 -9.959 -6.374 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.573 -8.653 -6.922 1.00 0.00 H new ATOM 964 N ILE A 63 -0.663 -8.637 -4.111 1.00 0.00 N ATOM 965 CA ILE A 63 0.346 -8.926 -3.101 1.00 0.00 C ATOM 966 C ILE A 63 -0.059 -10.128 -2.253 1.00 0.00 C ATOM 967 O ILE A 63 -1.241 -10.347 -1.988 1.00 0.00 O ATOM 968 CB ILE A 63 0.587 -7.697 -2.189 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.317 -6.580 -2.955 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.365 -8.080 -0.936 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.277 -7.072 -4.020 1.00 0.00 C ATOM 0 H ILE A 63 -1.094 -7.716 -4.024 1.00 0.00 H new ATOM 0 HA ILE A 63 1.274 -9.162 -3.622 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.388 -7.322 -1.878 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.575 -5.933 -3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.869 -5.968 -2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.517 -7.195 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.803 -8.824 -0.372 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.332 -8.495 -1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.747 -6.218 -4.509 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.045 -7.694 -3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.731 -7.658 -4.759 1.00 0.00 H new ATOM 983 N ALA A 64 0.935 -10.903 -1.835 1.00 0.00 N ATOM 984 CA ALA A 64 0.692 -12.085 -1.018 1.00 0.00 C ATOM 985 C ALA A 64 0.473 -11.707 0.442 1.00 0.00 C ATOM 986 O ALA A 64 1.090 -10.772 0.951 1.00 0.00 O ATOM 987 CB ALA A 64 1.853 -13.059 -1.144 1.00 0.00 C ATOM 0 H ALA A 64 1.918 -10.733 -2.049 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.215 -12.568 -1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.659 -13.938 -0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.962 -13.362 -2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.771 -12.576 -0.808 1.00 0.00 H new ATOM 993 N ASP A 65 -0.407 -12.442 1.111 1.00 0.00 N ATOM 994 CA ASP A 65 -0.705 -12.186 2.515 1.00 0.00 C ATOM 995 C ASP A 65 0.463 -12.593 3.412 1.00 0.00 C ATOM 996 O ASP A 65 0.467 -12.299 4.608 1.00 0.00 O ATOM 997 CB ASP A 65 -1.968 -12.939 2.937 1.00 0.00 C ATOM 998 CG ASP A 65 -2.409 -12.588 4.344 1.00 0.00 C ATOM 999 OD1 ASP A 65 -3.093 -11.557 4.512 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -2.070 -13.344 5.278 1.00 0.00 O ATOM 0 H ASP A 65 -0.927 -13.220 0.704 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.869 -11.115 2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.774 -12.711 2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.786 -14.012 2.874 1.00 0.00 H new ATOM 1005 N ASP A 66 1.453 -13.270 2.833 1.00 0.00 N ATOM 1006 CA ASP A 66 2.618 -13.714 3.588 1.00 0.00 C ATOM 1007 C ASP A 66 3.764 -12.709 3.481 1.00 0.00 C ATOM 1008 O ASP A 66 4.930 -13.071 3.635 1.00 0.00 O ATOM 1009 CB ASP A 66 3.081 -15.085 3.092 1.00 0.00 C ATOM 1010 CG ASP A 66 3.867 -15.847 4.142 1.00 0.00 C ATOM 1011 OD1 ASP A 66 4.014 -15.328 5.269 1.00 0.00 O ATOM 1012 OD2 ASP A 66 4.337 -16.963 3.837 1.00 0.00 O ATOM 0 H ASP A 66 1.470 -13.522 1.845 1.00 0.00 H new ATOM 0 HA ASP A 66 2.327 -13.790 4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.212 -15.673 2.795 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.698 -14.957 2.203 1.00 0.00 H new ATOM 1017 N TYR A 67 3.428 -11.447 3.219 1.00 0.00 N ATOM 1018 CA TYR A 67 4.436 -10.401 3.097 1.00 0.00 C ATOM 1019 C TYR A 67 4.730 -9.753 4.450 1.00 0.00 C ATOM 1020 O TYR A 67 5.157 -8.600 4.510 1.00 0.00 O ATOM 1021 CB TYR A 67 3.961 -9.331 2.114 1.00 0.00 C ATOM 1022 CG TYR A 67 4.158 -9.692 0.658 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.349 -11.008 0.252 1.00 0.00 C ATOM 1024 CD2 TYR A 67 4.148 -8.705 -0.314 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.526 -11.324 -1.083 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.322 -9.010 -1.649 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.511 -10.321 -2.030 1.00 0.00 C ATOM 1028 OH TYR A 67 4.686 -10.630 -3.358 1.00 0.00 O ATOM 0 H TYR A 67 2.468 -11.127 3.088 1.00 0.00 H new ATOM 0 HA TYR A 67 5.353 -10.861 2.728 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.902 -9.138 2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.493 -8.402 2.321 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.359 -11.796 0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.001 -7.676 -0.021 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.675 -12.351 -1.382 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.310 -8.225 -2.391 1.00 0.00 H new ATOM 0 HH TYR A 67 4.647 -9.810 -3.893 1.00 0.00 H new ATOM 1038 N ASP A 68 4.497 -10.499 5.532 1.00 0.00 N ATOM 1039 CA ASP A 68 4.735 -10.002 6.889 1.00 0.00 C ATOM 1040 C ASP A 68 3.586 -9.117 7.379 1.00 0.00 C ATOM 1041 O ASP A 68 3.478 -8.845 8.573 1.00 0.00 O ATOM 1042 CB ASP A 68 6.054 -9.233 6.955 1.00 0.00 C ATOM 1043 CG ASP A 68 6.717 -9.332 8.315 1.00 0.00 C ATOM 1044 OD1 ASP A 68 6.044 -9.038 9.325 1.00 0.00 O ATOM 1045 OD2 ASP A 68 7.907 -9.705 8.370 1.00 0.00 O ATOM 0 H ASP A 68 4.142 -11.454 5.494 1.00 0.00 H new ATOM 0 HA ASP A 68 4.793 -10.869 7.547 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.733 -9.618 6.194 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.872 -8.185 6.719 1.00 0.00 H new ATOM 1050 N LYS A 69 2.731 -8.676 6.457 1.00 0.00 N ATOM 1051 CA LYS A 69 1.594 -7.830 6.808 1.00 0.00 C ATOM 1052 C LYS A 69 2.059 -6.503 7.407 1.00 0.00 C ATOM 1053 O LYS A 69 2.063 -5.475 6.731 1.00 0.00 O ATOM 1054 CB LYS A 69 0.672 -8.559 7.789 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.515 -7.726 8.249 1.00 0.00 C ATOM 1056 CD LYS A 69 -0.678 -7.772 9.760 1.00 0.00 C ATOM 1057 CE LYS A 69 -1.315 -9.076 10.211 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.086 -8.911 11.473 1.00 0.00 N ATOM 0 H LYS A 69 2.805 -8.891 5.463 1.00 0.00 H new ATOM 0 HA LYS A 69 1.040 -7.614 5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.304 -9.471 7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.251 -8.862 8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.382 -6.693 7.928 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.424 -8.093 7.773 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.296 -7.658 10.236 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.293 -6.933 10.087 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.976 -9.447 9.428 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.539 -9.828 10.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.504 -9.823 11.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.451 -8.582 12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.843 -8.213 11.329 1.00 0.00 H new ATOM 1072 N LYS A 70 2.445 -6.533 8.680 1.00 0.00 N ATOM 1073 CA LYS A 70 2.907 -5.331 9.369 1.00 0.00 C ATOM 1074 C LYS A 70 4.026 -4.645 8.591 1.00 0.00 C ATOM 1075 O LYS A 70 3.847 -3.543 8.074 1.00 0.00 O ATOM 1076 CB LYS A 70 3.389 -5.680 10.778 1.00 0.00 C ATOM 1077 CG LYS A 70 3.034 -4.632 11.820 1.00 0.00 C ATOM 1078 CD LYS A 70 1.527 -4.453 11.941 1.00 0.00 C ATOM 1079 CE LYS A 70 0.994 -5.034 13.242 1.00 0.00 C ATOM 1080 NZ LYS A 70 0.284 -4.011 14.058 1.00 0.00 N ATOM 0 H LYS A 70 2.447 -7.376 9.255 1.00 0.00 H new ATOM 0 HA LYS A 70 2.067 -4.640 9.438 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.957 -6.636 11.074 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.471 -5.811 10.761 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.445 -4.924 12.786 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.494 -3.681 11.552 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.281 -3.392 11.888 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.034 -4.937 11.098 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.314 -5.857 13.020 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.820 -5.449 13.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.064 -4.447 14.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.939 -3.238 14.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.520 -3.633 13.518 1.00 0.00 H new ATOM 1094 N LYS A 71 5.180 -5.301 8.509 1.00 0.00 N ATOM 1095 CA LYS A 71 6.328 -4.750 7.794 1.00 0.00 C ATOM 1096 C LYS A 71 5.928 -4.233 6.412 1.00 0.00 C ATOM 1097 O LYS A 71 6.563 -3.330 5.870 1.00 0.00 O ATOM 1098 CB LYS A 71 7.428 -5.806 7.661 1.00 0.00 C ATOM 1099 CG LYS A 71 8.773 -5.354 8.206 1.00 0.00 C ATOM 1100 CD LYS A 71 9.860 -6.381 7.934 1.00 0.00 C ATOM 1101 CE LYS A 71 11.116 -6.089 8.739 1.00 0.00 C ATOM 1102 NZ LYS A 71 11.929 -7.316 8.965 1.00 0.00 N ATOM 0 H LYS A 71 5.345 -6.216 8.929 1.00 0.00 H new ATOM 0 HA LYS A 71 6.708 -3.908 8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.118 -6.710 8.185 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.541 -6.070 6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.049 -4.402 7.752 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.693 -5.184 9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.491 -7.377 8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.101 -6.385 6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.718 -5.346 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.839 -5.655 9.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.776 -7.074 9.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.364 -8.016 9.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.216 -7.716 8.049 1.00 0.00 H new ATOM 1116 N LEU A 72 4.872 -4.813 5.848 1.00 0.00 N ATOM 1117 CA LEU A 72 4.390 -4.409 4.532 1.00 0.00 C ATOM 1118 C LEU A 72 3.939 -2.950 4.535 1.00 0.00 C ATOM 1119 O LEU A 72 4.571 -2.094 3.914 1.00 0.00 O ATOM 1120 CB LEU A 72 3.235 -5.315 4.094 1.00 0.00 C ATOM 1121 CG LEU A 72 3.014 -5.408 2.582 1.00 0.00 C ATOM 1122 CD1 LEU A 72 1.779 -6.240 2.276 1.00 0.00 C ATOM 1123 CD2 LEU A 72 2.888 -4.019 1.975 1.00 0.00 C ATOM 0 H LEU A 72 4.335 -5.564 6.282 1.00 0.00 H new ATOM 0 HA LEU A 72 5.213 -4.509 3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.415 -6.318 4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.317 -4.955 4.557 1.00 0.00 H new ATOM 0 HG LEU A 72 3.879 -5.899 2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.636 -6.296 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.909 -7.245 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.905 -5.776 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.731 -4.105 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.041 -3.501 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.801 -3.455 2.165 1.00 0.00 H new ATOM 1135 N VAL A 73 2.840 -2.672 5.229 1.00 0.00 N ATOM 1136 CA VAL A 73 2.302 -1.320 5.303 1.00 0.00 C ATOM 1137 C VAL A 73 3.018 -0.487 6.363 1.00 0.00 C ATOM 1138 O VAL A 73 3.300 0.693 6.152 1.00 0.00 O ATOM 1139 CB VAL A 73 0.792 -1.338 5.606 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.525 -1.861 7.011 1.00 0.00 C ATOM 1141 CG2 VAL A 73 0.193 0.047 5.422 1.00 0.00 C ATOM 0 H VAL A 73 2.304 -3.367 5.749 1.00 0.00 H new ATOM 0 HA VAL A 73 2.467 -0.863 4.327 1.00 0.00 H new ATOM 0 HB VAL A 73 0.312 -2.015 4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.548 -1.864 7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.912 -2.876 7.101 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.020 -1.218 7.739 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.874 0.014 5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.681 0.747 6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.343 0.374 4.393 1.00 0.00 H new ATOM 1151 N LYS A 74 3.309 -1.106 7.505 1.00 0.00 N ATOM 1152 CA LYS A 74 3.992 -0.420 8.599 1.00 0.00 C ATOM 1153 C LYS A 74 5.208 0.347 8.091 1.00 0.00 C ATOM 1154 O LYS A 74 5.447 1.488 8.489 1.00 0.00 O ATOM 1155 CB LYS A 74 4.424 -1.424 9.669 1.00 0.00 C ATOM 1156 CG LYS A 74 4.934 -0.772 10.944 1.00 0.00 C ATOM 1157 CD LYS A 74 6.114 -1.533 11.527 1.00 0.00 C ATOM 1158 CE LYS A 74 6.770 -0.762 12.659 1.00 0.00 C ATOM 1159 NZ LYS A 74 8.124 -1.291 12.979 1.00 0.00 N ATOM 0 H LYS A 74 3.082 -2.082 7.697 1.00 0.00 H new ATOM 0 HA LYS A 74 3.292 0.292 9.036 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.579 -2.068 9.913 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.206 -2.064 9.260 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.231 0.256 10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.130 -0.728 11.678 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.777 -2.503 11.893 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.847 -1.725 10.744 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.847 0.290 12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.140 -0.815 13.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.538 -0.738 13.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.048 -2.288 13.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.733 -1.217 12.139 1.00 0.00 H new ATOM 1173 N ALA A 75 5.971 -0.284 7.204 1.00 0.00 N ATOM 1174 CA ALA A 75 7.157 0.343 6.638 1.00 0.00 C ATOM 1175 C ALA A 75 6.782 1.570 5.815 1.00 0.00 C ATOM 1176 O ALA A 75 7.558 2.519 5.709 1.00 0.00 O ATOM 1177 CB ALA A 75 7.927 -0.654 5.783 1.00 0.00 C ATOM 0 H ALA A 75 5.788 -1.228 6.863 1.00 0.00 H new ATOM 0 HA ALA A 75 7.796 0.666 7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.811 -0.170 5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.232 -1.501 6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.290 -1.006 4.971 1.00 0.00 H new ATOM 1183 N PHE A 76 5.583 1.545 5.239 1.00 0.00 N ATOM 1184 CA PHE A 76 5.104 2.660 4.431 1.00 0.00 C ATOM 1185 C PHE A 76 5.033 3.935 5.265 1.00 0.00 C ATOM 1186 O PHE A 76 5.489 4.995 4.839 1.00 0.00 O ATOM 1187 CB PHE A 76 3.727 2.343 3.844 1.00 0.00 C ATOM 1188 CG PHE A 76 3.448 3.072 2.561 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.860 2.545 1.347 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.781 4.288 2.569 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.613 3.217 0.167 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.530 4.962 1.389 1.00 0.00 C ATOM 1193 CZ PHE A 76 2.948 4.426 0.187 1.00 0.00 C ATOM 0 H PHE A 76 4.928 0.767 5.317 1.00 0.00 H new ATOM 0 HA PHE A 76 5.808 2.815 3.614 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.653 1.270 3.668 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.960 2.600 4.575 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.380 1.599 1.324 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.454 4.712 3.507 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.940 2.796 -0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.007 5.907 1.407 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.755 4.952 -0.736 1.00 0.00 H new ATOM 1203 N LYS A 77 4.462 3.820 6.458 1.00 0.00 N ATOM 1204 CA LYS A 77 4.334 4.959 7.359 1.00 0.00 C ATOM 1205 C LYS A 77 5.693 5.382 7.916 1.00 0.00 C ATOM 1206 O LYS A 77 5.813 6.430 8.550 1.00 0.00 O ATOM 1207 CB LYS A 77 3.383 4.619 8.507 1.00 0.00 C ATOM 1208 CG LYS A 77 2.032 4.104 8.039 1.00 0.00 C ATOM 1209 CD LYS A 77 1.734 2.722 8.598 1.00 0.00 C ATOM 1210 CE LYS A 77 0.841 2.798 9.825 1.00 0.00 C ATOM 1211 NZ LYS A 77 0.224 1.482 10.147 1.00 0.00 N ATOM 0 H LYS A 77 4.080 2.948 6.824 1.00 0.00 H new ATOM 0 HA LYS A 77 3.926 5.793 6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.849 3.868 9.145 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.232 5.508 9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.251 4.798 8.348 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.013 4.068 6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.251 2.115 7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.668 2.224 8.857 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.425 3.143 10.678 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.056 3.535 9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.377 1.578 10.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.355 1.164 9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.972 0.784 10.333 1.00 0.00 H new ATOM 1225 N LYS A 78 6.715 4.565 7.678 1.00 0.00 N ATOM 1226 CA LYS A 78 8.059 4.865 8.157 1.00 0.00 C ATOM 1227 C LYS A 78 8.950 5.350 7.016 1.00 0.00 C ATOM 1228 O LYS A 78 9.966 6.006 7.247 1.00 0.00 O ATOM 1229 CB LYS A 78 8.676 3.625 8.805 1.00 0.00 C ATOM 1230 CG LYS A 78 8.318 3.462 10.273 1.00 0.00 C ATOM 1231 CD LYS A 78 9.442 3.940 11.178 1.00 0.00 C ATOM 1232 CE LYS A 78 10.274 2.777 11.698 1.00 0.00 C ATOM 1233 NZ LYS A 78 11.727 2.973 11.433 1.00 0.00 N ATOM 0 H LYS A 78 6.638 3.692 7.157 1.00 0.00 H new ATOM 0 HA LYS A 78 7.985 5.660 8.899 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.349 2.740 8.260 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.760 3.676 8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.410 4.024 10.491 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.102 2.414 10.482 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.083 4.630 10.630 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.023 4.493 12.019 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.112 2.665 12.770 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.940 1.852 11.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.260 2.160 11.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.885 3.054 10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.052 3.842 11.903 1.00 0.00 H new ATOM 1247 N LYS A 79 8.567 5.018 5.786 1.00 0.00 N ATOM 1248 CA LYS A 79 9.337 5.414 4.612 1.00 0.00 C ATOM 1249 C LYS A 79 8.797 6.703 4.001 1.00 0.00 C ATOM 1250 O LYS A 79 9.563 7.543 3.528 1.00 0.00 O ATOM 1251 CB LYS A 79 9.318 4.296 3.567 1.00 0.00 C ATOM 1252 CG LYS A 79 10.443 4.398 2.548 1.00 0.00 C ATOM 1253 CD LYS A 79 9.909 4.693 1.155 1.00 0.00 C ATOM 1254 CE LYS A 79 11.002 5.225 0.241 1.00 0.00 C ATOM 1255 NZ LYS A 79 10.982 6.712 0.158 1.00 0.00 N ATOM 0 H LYS A 79 7.728 4.476 5.577 1.00 0.00 H new ATOM 0 HA LYS A 79 10.363 5.594 4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.385 3.334 4.075 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.362 4.315 3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.136 5.184 2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.007 3.465 2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.485 3.785 0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.101 5.422 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.974 4.895 0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.878 4.804 -0.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.742 7.035 -0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.064 7.027 -0.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.126 7.115 1.106 1.00 0.00 H new ATOM 1269 N PHE A 80 7.477 6.855 4.007 1.00 0.00 N ATOM 1270 CA PHE A 80 6.844 8.044 3.442 1.00 0.00 C ATOM 1271 C PHE A 80 6.135 8.866 4.516 1.00 0.00 C ATOM 1272 O PHE A 80 5.831 10.040 4.305 1.00 0.00 O ATOM 1273 CB PHE A 80 5.845 7.647 2.355 1.00 0.00 C ATOM 1274 CG PHE A 80 6.350 6.572 1.434 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.150 5.236 1.738 1.00 0.00 C ATOM 1276 CD2 PHE A 80 7.020 6.899 0.268 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.609 4.244 0.894 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.484 5.911 -0.580 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.277 4.583 -0.267 1.00 0.00 C ATOM 0 H PHE A 80 6.825 6.173 4.395 1.00 0.00 H new ATOM 0 HA PHE A 80 7.631 8.660 3.006 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.924 7.305 2.828 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.593 8.529 1.766 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.629 4.967 2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.182 7.937 0.018 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.446 3.205 1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.008 6.178 -1.486 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.637 3.809 -0.929 1.00 0.00 H new ATOM 1289 N ALA A 81 5.866 8.249 5.664 1.00 0.00 N ATOM 1290 CA ALA A 81 5.183 8.934 6.757 1.00 0.00 C ATOM 1291 C ALA A 81 3.707 9.125 6.436 1.00 0.00 C ATOM 1292 O ALA A 81 3.091 10.107 6.849 1.00 0.00 O ATOM 1293 CB ALA A 81 5.843 10.277 7.047 1.00 0.00 C ATOM 0 H ALA A 81 6.110 7.278 5.861 1.00 0.00 H new ATOM 0 HA ALA A 81 5.262 8.312 7.648 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.319 10.771 7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.884 10.118 7.327 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.799 10.904 6.156 1.00 0.00 H new ATOM 1299 N CYS A 82 3.146 8.174 5.695 1.00 0.00 N ATOM 1300 CA CYS A 82 1.740 8.230 5.314 1.00 0.00 C ATOM 1301 C CYS A 82 0.922 7.240 6.133 1.00 0.00 C ATOM 1302 O CYS A 82 1.453 6.559 7.010 1.00 0.00 O ATOM 1303 CB CYS A 82 1.582 7.929 3.823 1.00 0.00 C ATOM 1304 SG CYS A 82 2.352 9.152 2.736 1.00 0.00 S ATOM 0 H CYS A 82 3.645 7.355 5.347 1.00 0.00 H new ATOM 0 HA CYS A 82 1.372 9.236 5.514 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.013 6.950 3.613 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.520 7.867 3.587 1.00 0.00 H new ATOM 0 HG CYS A 82 2.700 8.583 1.620 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.371 7.160 5.841 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.253 6.249 6.548 1.00 0.00 C ATOM 1312 C ASN A 83 -1.638 5.085 5.639 1.00 0.00 C ATOM 1313 O ASN A 83 -2.283 5.275 4.608 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.497 7.005 7.039 1.00 0.00 C ATOM 1315 CG ASN A 83 -3.731 6.129 7.137 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -4.330 5.832 5.993 1.00 0.00 O flip ATOM 1317 ND2 ASN A 83 -4.138 5.726 8.226 1.00 0.00 N flip ATOM 0 H ASN A 83 -0.829 7.716 5.119 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.735 5.843 7.417 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.288 7.437 8.018 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.701 7.834 6.361 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.644 5.981 9.081 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.970 5.137 8.274 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.229 3.882 6.023 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.535 2.708 5.230 1.00 0.00 C ATOM 1326 C GLY A 84 -2.271 1.651 6.026 1.00 0.00 C ATOM 1327 O GLY A 84 -1.862 1.300 7.132 1.00 0.00 O ATOM 0 H GLY A 84 -0.691 3.699 6.870 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.140 3.000 4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.610 2.286 4.839 1.00 0.00 H new ATOM 1331 N THR A 85 -3.363 1.145 5.464 1.00 0.00 N ATOM 1332 CA THR A 85 -4.161 0.123 6.136 1.00 0.00 C ATOM 1333 C THR A 85 -4.339 -1.109 5.253 1.00 0.00 C ATOM 1334 O THR A 85 -4.031 -1.083 4.064 1.00 0.00 O ATOM 1335 CB THR A 85 -5.528 0.689 6.521 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.341 0.862 5.374 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.445 2.023 7.230 1.00 0.00 C ATOM 0 H THR A 85 -3.716 1.424 4.548 1.00 0.00 H new ATOM 0 HA THR A 85 -3.629 -0.178 7.038 1.00 0.00 H new ATOM 0 HB THR A 85 -5.960 -0.042 7.205 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.212 1.223 5.642 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.450 2.368 7.475 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.866 1.912 8.147 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.960 2.751 6.580 1.00 0.00 H new ATOM 1345 N VAL A 86 -4.839 -2.187 5.850 1.00 0.00 N ATOM 1346 CA VAL A 86 -5.063 -3.434 5.126 1.00 0.00 C ATOM 1347 C VAL A 86 -6.546 -3.802 5.126 1.00 0.00 C ATOM 1348 O VAL A 86 -7.097 -4.198 6.153 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.250 -4.588 5.742 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -4.675 -4.842 7.182 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.392 -5.852 4.905 1.00 0.00 C ATOM 0 H VAL A 86 -5.097 -2.222 6.836 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.732 -3.279 4.099 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.199 -4.299 5.747 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.087 -5.661 7.596 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.510 -3.942 7.774 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.732 -5.105 7.208 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.810 -6.655 5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.441 -6.144 4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.026 -5.663 3.896 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.190 -3.663 3.971 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.609 -3.978 3.847 1.00 0.00 C ATOM 1363 C ILE A 87 -8.838 -5.155 2.906 1.00 0.00 C ATOM 1364 O ILE A 87 -8.057 -5.389 1.984 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.410 -2.768 3.328 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -8.838 -2.282 1.996 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.404 -1.646 4.354 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -9.701 -1.245 1.310 1.00 0.00 C ATOM 0 H ILE A 87 -6.753 -3.335 3.110 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.957 -4.241 4.846 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.442 -3.079 3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.847 -1.862 2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.712 -3.136 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.974 -0.800 3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.856 -1.998 5.281 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.377 -1.334 4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.234 -0.946 0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.685 -1.667 1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.806 -0.374 1.957 1.00 0.00 H new ATOM 1380 N GLU A 88 -9.921 -5.889 3.140 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.259 -7.036 2.310 1.00 0.00 C ATOM 1382 C GLU A 88 -11.367 -6.677 1.326 1.00 0.00 C ATOM 1383 O GLU A 88 -12.509 -7.117 1.468 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.690 -8.217 3.177 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.510 -9.561 2.495 1.00 0.00 C ATOM 1386 CD GLU A 88 -11.118 -10.704 3.285 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -12.355 -10.863 3.241 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -10.355 -11.440 3.944 1.00 0.00 O ATOM 0 H GLU A 88 -10.579 -5.709 3.898 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.371 -7.322 1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.115 -8.208 4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.738 -8.094 3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.966 -9.526 1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.447 -9.751 2.349 1.00 0.00 H new ATOM 1395 N HIS A 89 -11.020 -5.869 0.331 1.00 0.00 N ATOM 1396 CA HIS A 89 -11.975 -5.437 -0.681 1.00 0.00 C ATOM 1397 C HIS A 89 -12.635 -6.636 -1.364 1.00 0.00 C ATOM 1398 O HIS A 89 -11.964 -7.604 -1.717 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.268 -4.570 -1.723 1.00 0.00 C ATOM 1400 CG HIS A 89 -12.131 -3.490 -2.296 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.604 -3.514 -3.591 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.606 -2.349 -1.745 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.333 -2.436 -3.812 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -13.351 -1.712 -2.708 1.00 0.00 N ATOM 0 H HIS A 89 -10.078 -5.498 0.204 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.754 -4.855 -0.189 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.388 -4.116 -1.267 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.914 -5.208 -2.533 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.432 -2.004 -0.737 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.830 -2.188 -4.738 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.839 -0.824 -2.589 1.00 0.00 H new ATOM 1413 N PRO A 90 -13.965 -6.585 -1.568 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.704 -7.669 -2.218 1.00 0.00 C ATOM 1415 C PRO A 90 -14.533 -7.654 -3.734 1.00 0.00 C ATOM 1416 O PRO A 90 -14.789 -8.653 -4.409 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.153 -7.372 -1.840 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.204 -5.889 -1.698 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.851 -5.467 -1.185 1.00 0.00 C ATOM 0 HA PRO A 90 -14.358 -8.653 -1.903 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.843 -7.721 -2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.431 -7.870 -0.911 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.423 -5.414 -2.654 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.992 -5.591 -1.007 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.528 -4.528 -1.635 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.861 -5.317 -0.105 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.100 -6.514 -4.263 1.00 0.00 N ATOM 1428 CA GLU A 91 -13.891 -6.359 -5.697 1.00 0.00 C ATOM 1429 C GLU A 91 -12.547 -6.944 -6.124 1.00 0.00 C ATOM 1430 O GLU A 91 -12.356 -7.299 -7.287 1.00 0.00 O ATOM 1431 CB GLU A 91 -13.961 -4.879 -6.075 1.00 0.00 C ATOM 1432 CG GLU A 91 -15.038 -4.560 -7.096 1.00 0.00 C ATOM 1433 CD GLU A 91 -16.416 -5.005 -6.650 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -16.647 -5.083 -5.424 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -17.265 -5.277 -7.525 1.00 0.00 O ATOM 0 H GLU A 91 -13.886 -5.680 -3.716 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.678 -6.904 -6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.141 -4.291 -5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.994 -4.568 -6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.050 -3.486 -7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.792 -5.045 -8.041 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.617 -7.034 -5.178 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.289 -7.569 -5.460 1.00 0.00 C ATOM 1444 C TYR A 92 -9.967 -8.745 -4.547 1.00 0.00 C ATOM 1445 O TYR A 92 -9.569 -9.814 -5.009 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.233 -6.473 -5.291 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.736 -5.091 -5.645 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.383 -4.859 -6.851 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.569 -4.022 -4.773 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.850 -3.602 -7.179 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -10.034 -2.761 -5.094 1.00 0.00 C ATOM 1452 CZ TYR A 92 -10.674 -2.556 -6.298 1.00 0.00 C ATOM 1453 OH TYR A 92 -11.138 -1.303 -6.622 1.00 0.00 O ATOM 0 H TYR A 92 -11.758 -6.744 -4.210 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.279 -7.923 -6.491 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.885 -6.471 -4.258 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.372 -6.709 -5.917 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.523 -5.675 -7.544 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.068 -4.179 -3.829 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.351 -3.439 -8.122 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.897 -1.940 -4.405 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.935 -0.680 -5.893 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.143 -8.542 -3.246 1.00 0.00 N ATOM 1464 CA GLY A 93 -9.867 -9.594 -2.286 1.00 0.00 C ATOM 1465 C GLY A 93 -8.537 -9.404 -1.584 1.00 0.00 C ATOM 1466 O GLY A 93 -7.485 -9.734 -2.133 1.00 0.00 O ATOM 0 H GLY A 93 -10.472 -7.667 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.665 -9.623 -1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.871 -10.557 -2.796 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.583 -8.870 -0.367 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.372 -8.637 0.412 1.00 0.00 C ATOM 1472 C GLU A 94 -6.451 -7.648 -0.296 1.00 0.00 C ATOM 1473 O GLU A 94 -5.570 -8.043 -1.060 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.633 -9.955 0.654 1.00 0.00 C ATOM 1475 CG GLU A 94 -5.574 -9.869 1.740 1.00 0.00 C ATOM 1476 CD GLU A 94 -4.441 -10.853 1.528 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -4.727 -12.042 1.269 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -3.267 -10.436 1.621 1.00 0.00 O ATOM 0 H GLU A 94 -9.445 -8.591 0.101 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.665 -8.211 1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.357 -10.723 0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.162 -10.274 -0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.171 -8.857 1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.037 -10.056 2.709 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.659 -6.360 -0.036 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.847 -5.316 -0.648 1.00 0.00 C ATOM 1487 C VAL A 95 -5.540 -4.204 0.349 1.00 0.00 C ATOM 1488 O VAL A 95 -6.413 -3.774 1.102 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.547 -4.708 -1.878 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.627 -5.727 -3.003 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.932 -4.200 -1.509 1.00 0.00 C ATOM 0 H VAL A 95 -7.383 -6.016 0.594 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.915 -5.785 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.957 -3.861 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.124 -5.280 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.621 -6.037 -3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.193 -6.596 -2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.410 -3.774 -2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.535 -5.027 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.845 -3.434 -0.738 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.297 -3.738 0.344 1.00 0.00 N ATOM 1502 CA ILE A 96 -3.883 -2.670 1.244 1.00 0.00 C ATOM 1503 C ILE A 96 -4.470 -1.340 0.785 1.00 0.00 C ATOM 1504 O ILE A 96 -4.803 -1.176 -0.387 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.338 -2.582 1.334 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.823 -3.599 2.362 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -1.872 -1.169 1.683 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.803 -3.089 3.790 1.00 0.00 C ATOM 0 H ILE A 96 -3.560 -4.082 -0.272 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.262 -2.897 2.240 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.923 -2.821 0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.447 -4.492 2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.814 -3.901 2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.784 -1.148 1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.211 -0.474 0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.289 -0.876 2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.426 -3.870 4.450 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.155 -2.215 3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.814 -2.815 4.093 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.611 -0.402 1.713 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.175 0.902 1.392 1.00 0.00 C ATOM 1522 C GLN A 97 -4.327 2.034 1.963 1.00 0.00 C ATOM 1523 O GLN A 97 -4.385 2.324 3.158 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.604 1.007 1.935 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.601 1.578 0.938 1.00 0.00 C ATOM 1526 CD GLN A 97 -8.742 2.318 1.609 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -9.204 3.345 1.114 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -9.206 1.798 2.740 1.00 0.00 N ATOM 0 H GLN A 97 -4.344 -0.519 2.690 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.187 0.999 0.306 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.939 0.016 2.243 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.598 1.633 2.827 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.083 2.256 0.260 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.006 0.768 0.331 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.793 0.944 3.116 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -9.975 2.253 3.233 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.558 2.684 1.098 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.720 3.800 1.514 1.00 0.00 C ATOM 1539 C LEU A 98 -3.489 5.104 1.377 1.00 0.00 C ATOM 1540 O LEU A 98 -4.436 5.192 0.597 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.442 3.865 0.680 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.712 2.533 0.499 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.007 2.498 -0.842 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.267 2.303 1.642 1.00 0.00 C ATOM 0 H LEU A 98 -3.498 2.457 0.105 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.443 3.648 2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.690 4.261 -0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.759 4.575 1.147 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.448 1.729 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.521 1.543 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.718 2.616 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.734 3.309 -0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.778 1.351 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.000 3.109 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.275 2.284 2.587 1.00 0.00 H new ATOM 1556 N GLN A 99 -3.084 6.112 2.134 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.750 7.410 2.089 1.00 0.00 C ATOM 1558 C GLN A 99 -3.129 8.307 1.022 1.00 0.00 C ATOM 1559 O GLN A 99 -1.932 8.226 0.750 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.683 8.094 3.455 1.00 0.00 C ATOM 1561 CG GLN A 99 -5.026 8.178 4.160 1.00 0.00 C ATOM 1562 CD GLN A 99 -5.677 9.540 4.016 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -5.274 10.505 4.667 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -6.689 9.627 3.161 1.00 0.00 N ATOM 0 H GLN A 99 -2.301 6.060 2.785 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.795 7.242 1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.982 7.551 4.090 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.285 9.101 3.329 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.693 7.416 3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.891 7.954 5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.991 8.802 2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.165 10.519 3.023 1.00 0.00 H new ATOM 1573 N GLY A 100 -3.956 9.158 0.423 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.474 10.057 -0.609 1.00 0.00 C ATOM 1575 C GLY A 100 -2.987 9.312 -1.834 1.00 0.00 C ATOM 1576 O GLY A 100 -2.844 8.089 -1.807 1.00 0.00 O ATOM 0 H GLY A 100 -4.951 9.241 0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.273 10.741 -0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.663 10.665 -0.209 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.730 10.043 -2.913 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.256 9.431 -4.146 1.00 0.00 C ATOM 1582 C ASP A 101 -0.805 8.981 -4.003 1.00 0.00 C ATOM 1583 O ASP A 101 0.122 9.777 -4.152 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.395 10.403 -5.318 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.631 11.693 -5.093 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -2.189 12.611 -4.454 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.474 11.787 -5.556 1.00 0.00 O ATOM 0 H ASP A 101 -2.842 11.056 -2.958 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.872 8.554 -4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.034 9.924 -6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.449 10.631 -5.474 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.622 7.699 -3.710 1.00 0.00 N ATOM 1593 CA GLN A 102 0.705 7.128 -3.542 1.00 0.00 C ATOM 1594 C GLN A 102 1.099 6.298 -4.759 1.00 0.00 C ATOM 1595 O GLN A 102 2.051 5.527 -4.708 1.00 0.00 O ATOM 1596 CB GLN A 102 0.738 6.251 -2.286 1.00 0.00 C ATOM 1597 CG GLN A 102 1.317 6.939 -1.057 1.00 0.00 C ATOM 1598 CD GLN A 102 0.934 8.403 -0.960 1.00 0.00 C ATOM 1599 OE1 GLN A 102 -0.333 8.700 -1.214 1.00 0.00 O flip ATOM 1600 NE2 GLN A 102 1.769 9.258 -0.660 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.384 7.032 -3.583 1.00 0.00 H new ATOM 0 HA GLN A 102 1.419 7.945 -3.436 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.276 5.922 -2.060 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.324 5.356 -2.497 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.974 6.420 -0.162 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.403 6.854 -1.078 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.734 8.985 -0.472 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.495 10.239 -0.599 1.00 0.00 H new ATOM 1609 N ARG A 103 0.359 6.457 -5.853 1.00 0.00 N ATOM 1610 CA ARG A 103 0.632 5.715 -7.082 1.00 0.00 C ATOM 1611 C ARG A 103 2.123 5.707 -7.409 1.00 0.00 C ATOM 1612 O ARG A 103 2.641 4.740 -7.967 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.151 6.321 -8.250 1.00 0.00 C ATOM 1614 CG ARG A 103 -1.448 5.593 -8.558 1.00 0.00 C ATOM 1615 CD ARG A 103 -2.013 6.013 -9.904 1.00 0.00 C ATOM 1616 NE ARG A 103 -2.550 7.373 -9.874 1.00 0.00 N ATOM 1617 CZ ARG A 103 -1.847 8.460 -10.186 1.00 0.00 C ATOM 1618 NH1 ARG A 103 -0.574 8.361 -10.550 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -2.420 9.655 -10.132 1.00 0.00 N ATOM 0 H ARG A 103 -0.435 7.094 -5.914 1.00 0.00 H new ATOM 0 HA ARG A 103 0.312 4.685 -6.926 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.375 7.364 -8.024 1.00 0.00 H new ATOM 0 HB3 ARG A 103 0.479 6.316 -9.140 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.273 4.517 -8.555 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -2.178 5.799 -7.775 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.231 5.949 -10.661 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.800 5.319 -10.199 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.524 7.497 -9.597 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -0.125 7.446 -10.593 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.045 9.200 -10.787 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.397 9.740 -9.852 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.884 10.489 -10.371 1.00 0.00 H new ATOM 1633 N LYS A 104 2.805 6.791 -7.058 1.00 0.00 N ATOM 1634 CA LYS A 104 4.235 6.909 -7.314 1.00 0.00 C ATOM 1635 C LYS A 104 5.050 6.457 -6.106 1.00 0.00 C ATOM 1636 O LYS A 104 6.217 6.089 -6.238 1.00 0.00 O ATOM 1637 CB LYS A 104 4.590 8.352 -7.671 1.00 0.00 C ATOM 1638 CG LYS A 104 4.383 8.684 -9.140 1.00 0.00 C ATOM 1639 CD LYS A 104 3.955 10.130 -9.329 1.00 0.00 C ATOM 1640 CE LYS A 104 5.118 11.085 -9.115 1.00 0.00 C ATOM 1641 NZ LYS A 104 6.336 10.652 -9.854 1.00 0.00 N ATOM 0 H LYS A 104 2.391 7.600 -6.596 1.00 0.00 H new ATOM 0 HA LYS A 104 4.481 6.260 -8.154 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.984 9.027 -7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.632 8.537 -7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.307 8.502 -9.689 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.627 8.022 -9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.553 10.264 -10.333 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.153 10.368 -8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.832 12.085 -9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.343 11.150 -8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.889 11.488 -10.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.915 10.042 -9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.056 10.124 -10.705 1.00 0.00 H new ATOM 1655 N ASN A 105 4.433 6.489 -4.929 1.00 0.00 N ATOM 1656 CA ASN A 105 5.112 6.084 -3.704 1.00 0.00 C ATOM 1657 C ASN A 105 4.950 4.587 -3.457 1.00 0.00 C ATOM 1658 O ASN A 105 5.882 3.922 -3.003 1.00 0.00 O ATOM 1659 CB ASN A 105 4.567 6.873 -2.513 1.00 0.00 C ATOM 1660 CG ASN A 105 5.258 8.212 -2.345 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.453 8.276 -2.060 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.505 9.291 -2.525 1.00 0.00 N ATOM 0 H ASN A 105 3.467 6.790 -4.798 1.00 0.00 H new ATOM 0 HA ASN A 105 6.174 6.298 -3.819 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.497 7.033 -2.645 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.692 6.286 -1.603 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.914 10.220 -2.428 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.518 9.190 -2.760 1.00 0.00 H new ATOM 1669 N ILE A 106 3.768 4.058 -3.760 1.00 0.00 N ATOM 1670 CA ILE A 106 3.501 2.639 -3.569 1.00 0.00 C ATOM 1671 C ILE A 106 4.325 1.802 -4.541 1.00 0.00 C ATOM 1672 O ILE A 106 5.028 0.878 -4.130 1.00 0.00 O ATOM 1673 CB ILE A 106 2.002 2.306 -3.719 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.735 0.864 -3.283 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.533 2.535 -5.148 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.266 0.539 -1.901 1.00 0.00 C ATOM 0 H ILE A 106 2.984 4.590 -4.137 1.00 0.00 H new ATOM 0 HA ILE A 106 3.793 2.392 -2.548 1.00 0.00 H new ATOM 0 HB ILE A 106 1.434 2.975 -3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.661 0.680 -3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.188 0.185 -4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.473 2.293 -5.226 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.688 3.579 -5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.102 1.897 -5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.040 -0.500 -1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.345 0.690 -1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.795 1.193 -1.167 1.00 0.00 H new ATOM 1688 N CYS A 107 4.272 2.148 -5.826 1.00 0.00 N ATOM 1689 CA CYS A 107 5.058 1.438 -6.828 1.00 0.00 C ATOM 1690 C CYS A 107 6.532 1.560 -6.465 1.00 0.00 C ATOM 1691 O CYS A 107 7.328 0.647 -6.688 1.00 0.00 O ATOM 1692 CB CYS A 107 4.804 2.016 -8.221 1.00 0.00 C ATOM 1693 SG CYS A 107 3.342 1.344 -9.045 1.00 0.00 S ATOM 0 H CYS A 107 3.699 2.908 -6.193 1.00 0.00 H new ATOM 0 HA CYS A 107 4.766 0.388 -6.844 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.697 3.098 -8.140 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.678 1.828 -8.845 1.00 0.00 H new ATOM 0 HG CYS A 107 3.211 1.896 -10.215 1.00 0.00 H new ATOM 1699 N GLN A 108 6.866 2.700 -5.869 1.00 0.00 N ATOM 1700 CA GLN A 108 8.221 2.980 -5.422 1.00 0.00 C ATOM 1701 C GLN A 108 8.524 2.156 -4.173 1.00 0.00 C ATOM 1702 O GLN A 108 9.656 1.725 -3.956 1.00 0.00 O ATOM 1703 CB GLN A 108 8.363 4.484 -5.142 1.00 0.00 C ATOM 1704 CG GLN A 108 9.519 4.861 -4.227 1.00 0.00 C ATOM 1705 CD GLN A 108 10.817 5.068 -4.982 1.00 0.00 C ATOM 1706 OE1 GLN A 108 11.547 3.983 -5.214 1.00 0.00 O flip ATOM 1707 NE2 GLN A 108 11.161 6.191 -5.352 1.00 0.00 N flip ATOM 0 H GLN A 108 6.204 3.453 -5.684 1.00 0.00 H new ATOM 0 HA GLN A 108 8.937 2.704 -6.196 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.486 5.005 -6.091 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.435 4.845 -4.698 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.267 5.774 -3.687 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.658 4.078 -3.481 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.569 6.997 -5.152 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.038 6.315 -5.858 1.00 0.00 H new ATOM 1716 N PHE A 109 7.491 1.934 -3.362 1.00 0.00 N ATOM 1717 CA PHE A 109 7.624 1.155 -2.140 1.00 0.00 C ATOM 1718 C PHE A 109 7.788 -0.323 -2.470 1.00 0.00 C ATOM 1719 O PHE A 109 8.643 -1.006 -1.908 1.00 0.00 O ATOM 1720 CB PHE A 109 6.396 1.353 -1.249 1.00 0.00 C ATOM 1721 CG PHE A 109 6.468 0.605 0.051 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.396 0.957 1.017 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.605 -0.448 0.309 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.463 0.274 2.215 1.00 0.00 C ATOM 1725 CE2 PHE A 109 5.667 -1.135 1.507 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.597 -0.773 2.460 1.00 0.00 C ATOM 0 H PHE A 109 6.549 2.286 -3.534 1.00 0.00 H new ATOM 0 HA PHE A 109 8.510 1.499 -1.606 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.277 2.416 -1.040 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.507 1.033 -1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.075 1.776 0.831 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.876 -0.735 -0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.192 0.558 2.960 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.989 -1.954 1.697 1.00 0.00 H new ATOM 0 HZ PHE A 109 6.647 -1.308 3.397 1.00 0.00 H new ATOM 1736 N LEU A 110 6.960 -0.806 -3.392 1.00 0.00 N ATOM 1737 CA LEU A 110 7.005 -2.201 -3.810 1.00 0.00 C ATOM 1738 C LEU A 110 8.380 -2.553 -4.365 1.00 0.00 C ATOM 1739 O LEU A 110 8.825 -3.697 -4.273 1.00 0.00 O ATOM 1740 CB LEU A 110 5.931 -2.469 -4.867 1.00 0.00 C ATOM 1741 CG LEU A 110 4.560 -2.880 -4.321 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.146 -1.979 -3.167 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.516 -2.841 -5.427 1.00 0.00 C ATOM 0 H LEU A 110 6.248 -0.249 -3.864 1.00 0.00 H new ATOM 0 HA LEU A 110 6.812 -2.827 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.808 -1.570 -5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.288 -3.255 -5.533 1.00 0.00 H new ATOM 0 HG LEU A 110 4.633 -3.901 -3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.170 -2.289 -2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.880 -2.054 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.091 -0.947 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.547 -3.136 -5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.449 -1.830 -5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.802 -3.529 -6.222 1.00 0.00 H new ATOM 1755 N VAL A 111 9.052 -1.562 -4.940 1.00 0.00 N ATOM 1756 CA VAL A 111 10.377 -1.768 -5.507 1.00 0.00 C ATOM 1757 C VAL A 111 11.463 -1.478 -4.475 1.00 0.00 C ATOM 1758 O VAL A 111 12.537 -2.079 -4.505 1.00 0.00 O ATOM 1759 CB VAL A 111 10.599 -0.878 -6.745 1.00 0.00 C ATOM 1760 CG1 VAL A 111 11.962 -1.150 -7.368 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.489 -1.092 -7.762 1.00 0.00 C ATOM 0 H VAL A 111 8.700 -0.608 -5.025 1.00 0.00 H new ATOM 0 HA VAL A 111 10.439 -2.814 -5.809 1.00 0.00 H new ATOM 0 HB VAL A 111 10.575 0.164 -6.426 1.00 0.00 H new ATOM 0 HG11 VAL A 111 12.097 -0.511 -8.240 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.744 -0.939 -6.639 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.021 -2.195 -7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.663 -0.455 -8.629 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.478 -2.136 -8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.529 -0.838 -7.312 1.00 0.00 H new ATOM 1771 N GLU A 112 11.176 -0.556 -3.562 1.00 0.00 N ATOM 1772 CA GLU A 112 12.126 -0.189 -2.519 1.00 0.00 C ATOM 1773 C GLU A 112 12.298 -1.326 -1.518 1.00 0.00 C ATOM 1774 O GLU A 112 13.416 -1.657 -1.123 1.00 0.00 O ATOM 1775 CB GLU A 112 11.656 1.074 -1.794 1.00 0.00 C ATOM 1776 CG GLU A 112 11.943 2.357 -2.554 1.00 0.00 C ATOM 1777 CD GLU A 112 13.008 3.205 -1.886 1.00 0.00 C ATOM 1778 OE1 GLU A 112 13.020 3.270 -0.639 1.00 0.00 O ATOM 1779 OE2 GLU A 112 13.830 3.805 -2.610 1.00 0.00 O ATOM 0 H GLU A 112 10.292 -0.049 -3.524 1.00 0.00 H new ATOM 0 HA GLU A 112 13.089 0.007 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.583 1.001 -1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.140 1.124 -0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.262 2.111 -3.567 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.024 2.937 -2.641 1.00 0.00 H new ATOM 1786 N ILE A 113 11.181 -1.919 -1.112 1.00 0.00 N ATOM 1787 CA ILE A 113 11.201 -3.019 -0.156 1.00 0.00 C ATOM 1788 C ILE A 113 11.334 -4.369 -0.860 1.00 0.00 C ATOM 1789 O ILE A 113 11.664 -5.375 -0.231 1.00 0.00 O ATOM 1790 CB ILE A 113 9.925 -3.026 0.717 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.723 -3.546 -0.084 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.648 -1.628 1.254 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.400 -3.423 0.642 1.00 0.00 C ATOM 0 H ILE A 113 10.249 -1.656 -1.431 1.00 0.00 H new ATOM 0 HA ILE A 113 12.071 -2.865 0.482 1.00 0.00 H new ATOM 0 HB ILE A 113 10.085 -3.697 1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.662 -2.999 -1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.892 -4.593 -0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.747 -1.646 1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.492 -1.297 1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.506 -0.940 0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.601 -3.811 0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.440 -3.994 1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.206 -2.375 0.869 1.00 0.00 H new ATOM 1805 N GLY A 114 11.061 -4.388 -2.161 1.00 0.00 N ATOM 1806 CA GLY A 114 11.143 -5.622 -2.917 1.00 0.00 C ATOM 1807 C GLY A 114 9.861 -6.423 -2.817 1.00 0.00 C ATOM 1808 O GLY A 114 9.882 -7.653 -2.838 1.00 0.00 O ATOM 0 H GLY A 114 10.785 -3.570 -2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.351 -5.396 -3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.976 -6.220 -2.549 1.00 0.00 H new ATOM 1812 N LEU A 115 8.744 -5.713 -2.702 1.00 0.00 N ATOM 1813 CA LEU A 115 7.437 -6.347 -2.590 1.00 0.00 C ATOM 1814 C LEU A 115 6.958 -6.858 -3.944 1.00 0.00 C ATOM 1815 O LEU A 115 6.949 -8.064 -4.195 1.00 0.00 O ATOM 1816 CB LEU A 115 6.423 -5.359 -2.007 1.00 0.00 C ATOM 1817 CG LEU A 115 5.487 -5.933 -0.942 1.00 0.00 C ATOM 1818 CD1 LEU A 115 6.276 -6.686 0.120 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.656 -4.828 -0.308 1.00 0.00 C ATOM 0 H LEU A 115 8.719 -4.693 -2.684 1.00 0.00 H new ATOM 0 HA LEU A 115 7.528 -7.202 -1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.967 -4.519 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.818 -4.961 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 115 4.810 -6.637 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.591 -7.086 0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.823 -7.506 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.980 -6.007 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.997 -5.256 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.317 -4.098 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.058 -4.337 -1.075 1.00 0.00 H new ATOM 1831 N ALA A 116 6.568 -5.937 -4.819 1.00 0.00 N ATOM 1832 CA ALA A 116 6.096 -6.302 -6.148 1.00 0.00 C ATOM 1833 C ALA A 116 7.258 -6.337 -7.136 1.00 0.00 C ATOM 1834 O ALA A 116 8.422 -6.284 -6.738 1.00 0.00 O ATOM 1835 CB ALA A 116 5.026 -5.329 -6.619 1.00 0.00 C ATOM 0 H ALA A 116 6.570 -4.934 -4.631 1.00 0.00 H new ATOM 0 HA ALA A 116 5.657 -7.298 -6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.685 -5.617 -7.613 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.185 -5.350 -5.926 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.441 -4.322 -6.655 1.00 0.00 H new ATOM 1841 N LYS A 117 6.939 -6.423 -8.422 1.00 0.00 N ATOM 1842 CA LYS A 117 7.966 -6.459 -9.457 1.00 0.00 C ATOM 1843 C LYS A 117 7.629 -5.488 -10.582 1.00 0.00 C ATOM 1844 O LYS A 117 6.458 -5.241 -10.868 1.00 0.00 O ATOM 1845 CB LYS A 117 8.108 -7.877 -10.014 1.00 0.00 C ATOM 1846 CG LYS A 117 9.430 -8.540 -9.663 1.00 0.00 C ATOM 1847 CD LYS A 117 9.634 -8.616 -8.158 1.00 0.00 C ATOM 1848 CE LYS A 117 10.752 -7.695 -7.699 1.00 0.00 C ATOM 1849 NZ LYS A 117 10.814 -7.592 -6.215 1.00 0.00 N ATOM 0 H LYS A 117 5.982 -6.469 -8.772 1.00 0.00 H new ATOM 0 HA LYS A 117 8.913 -6.158 -9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.291 -8.491 -9.634 1.00 0.00 H new ATOM 0 HB3 LYS A 117 8.004 -7.844 -11.099 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.458 -9.544 -10.086 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.250 -7.981 -10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 117 8.708 -8.346 -7.650 1.00 0.00 H new ATOM 0 HD3 LYS A 117 9.867 -9.642 -7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.705 -8.065 -8.077 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.603 -6.703 -8.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 11.677 -7.081 -5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 9.980 -7.077 -5.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 10.829 -8.546 -5.801 1.00 0.00 H new ATOM 1863 N ASP A 118 8.659 -4.943 -11.222 1.00 0.00 N ATOM 1864 CA ASP A 118 8.455 -4.004 -12.319 1.00 0.00 C ATOM 1865 C ASP A 118 7.633 -4.654 -13.427 1.00 0.00 C ATOM 1866 O ASP A 118 6.899 -3.977 -14.147 1.00 0.00 O ATOM 1867 CB ASP A 118 9.800 -3.504 -12.855 1.00 0.00 C ATOM 1868 CG ASP A 118 9.674 -2.771 -14.178 1.00 0.00 C ATOM 1869 OD1 ASP A 118 9.551 -3.445 -15.222 1.00 0.00 O ATOM 1870 OD2 ASP A 118 9.698 -1.522 -14.169 1.00 0.00 O ATOM 0 H ASP A 118 9.637 -5.134 -11.002 1.00 0.00 H new ATOM 0 HA ASP A 118 7.901 -3.144 -11.944 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.254 -2.840 -12.120 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.474 -4.352 -12.978 1.00 0.00 H new ATOM 1875 N ASP A 119 7.738 -5.973 -13.537 1.00 0.00 N ATOM 1876 CA ASP A 119 6.978 -6.713 -14.534 1.00 0.00 C ATOM 1877 C ASP A 119 5.530 -6.850 -14.077 1.00 0.00 C ATOM 1878 O ASP A 119 4.631 -7.101 -14.882 1.00 0.00 O ATOM 1879 CB ASP A 119 7.594 -8.095 -14.762 1.00 0.00 C ATOM 1880 CG ASP A 119 8.513 -8.126 -15.968 1.00 0.00 C ATOM 1881 OD1 ASP A 119 8.143 -7.552 -17.013 1.00 0.00 O ATOM 1882 OD2 ASP A 119 9.605 -8.723 -15.865 1.00 0.00 O ATOM 0 H ASP A 119 8.340 -6.550 -12.950 1.00 0.00 H new ATOM 0 HA ASP A 119 7.006 -6.166 -15.477 1.00 0.00 H new ATOM 0 HB2 ASP A 119 8.153 -8.391 -13.875 1.00 0.00 H new ATOM 0 HB3 ASP A 119 6.798 -8.827 -14.896 1.00 0.00 H new ATOM 1887 N GLN A 120 5.315 -6.672 -12.774 1.00 0.00 N ATOM 1888 CA GLN A 120 3.986 -6.762 -12.190 1.00 0.00 C ATOM 1889 C GLN A 120 3.424 -5.375 -11.889 1.00 0.00 C ATOM 1890 O GLN A 120 2.236 -5.227 -11.603 1.00 0.00 O ATOM 1891 CB GLN A 120 4.024 -7.587 -10.904 1.00 0.00 C ATOM 1892 CG GLN A 120 4.611 -8.977 -11.080 1.00 0.00 C ATOM 1893 CD GLN A 120 4.566 -9.782 -9.796 1.00 0.00 C ATOM 1894 OE1 GLN A 120 3.388 -9.856 -9.189 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 5.576 -10.332 -9.359 1.00 0.00 N flip ATOM 0 H GLN A 120 6.053 -6.463 -12.102 1.00 0.00 H new ATOM 0 HA GLN A 120 3.337 -7.252 -12.915 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.607 -7.049 -10.156 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.011 -7.678 -10.513 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.061 -9.506 -11.859 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.644 -8.894 -11.419 1.00 0.00 H new ATOM 0 HE21 GLN A 120 6.460 -10.247 -9.860 1.00 0.00 H new ATOM 0 HE22 GLN A 120 5.529 -10.873 -8.495 1.00 0.00 H new ATOM 1904 N LEU A 121 4.285 -4.360 -11.945 1.00 0.00 N ATOM 1905 CA LEU A 121 3.873 -2.986 -11.669 1.00 0.00 C ATOM 1906 C LEU A 121 2.637 -2.609 -12.479 1.00 0.00 C ATOM 1907 O LEU A 121 2.740 -2.152 -13.617 1.00 0.00 O ATOM 1908 CB LEU A 121 5.017 -2.015 -11.974 1.00 0.00 C ATOM 1909 CG LEU A 121 6.036 -1.838 -10.845 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.181 -0.934 -11.289 1.00 0.00 C ATOM 1911 CD2 LEU A 121 5.359 -1.278 -9.598 1.00 0.00 C ATOM 0 H LEU A 121 5.272 -4.464 -12.179 1.00 0.00 H new ATOM 0 HA LEU A 121 3.621 -2.918 -10.611 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.541 -2.363 -12.864 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.592 -1.041 -12.215 1.00 0.00 H new ATOM 0 HG LEU A 121 6.451 -2.816 -10.601 1.00 0.00 H new ATOM 0 HD11 LEU A 121 7.894 -0.822 -10.472 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.682 -1.378 -12.149 1.00 0.00 H new ATOM 0 HD13 LEU A 121 6.787 0.044 -11.564 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.098 -1.159 -8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 121 4.915 -0.310 -9.829 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.580 -1.965 -9.267 1.00 0.00 H new ATOM 1923 N LYS A 122 1.468 -2.808 -11.879 1.00 0.00 N ATOM 1924 CA LYS A 122 0.206 -2.494 -12.536 1.00 0.00 C ATOM 1925 C LYS A 122 -0.516 -1.363 -11.808 1.00 0.00 C ATOM 1926 O LYS A 122 -1.380 -1.610 -10.970 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.686 -3.736 -12.586 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.500 -4.563 -13.846 1.00 0.00 C ATOM 1929 CD LYS A 122 -1.132 -3.891 -15.055 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.269 -4.057 -16.296 1.00 0.00 C ATOM 1931 NZ LYS A 122 -0.625 -3.072 -17.356 1.00 0.00 N ATOM 0 H LYS A 122 1.369 -3.186 -10.937 1.00 0.00 H new ATOM 0 HA LYS A 122 0.422 -2.168 -13.554 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.476 -4.360 -11.717 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.729 -3.428 -12.513 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.564 -4.715 -14.028 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.943 -5.549 -13.704 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.118 -4.318 -15.236 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.276 -2.830 -14.850 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.781 -3.937 -16.027 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.385 -5.068 -16.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.014 -3.218 -18.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.619 -3.202 -17.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.490 -2.107 -16.993 1.00 0.00 H new ATOM 1945 N VAL A 123 -0.151 -0.125 -12.127 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.763 1.038 -11.492 1.00 0.00 C ATOM 1947 C VAL A 123 -1.994 1.519 -12.258 1.00 0.00 C ATOM 1948 O VAL A 123 -1.919 1.818 -13.450 1.00 0.00 O ATOM 1949 CB VAL A 123 0.243 2.200 -11.371 1.00 0.00 C ATOM 1950 CG1 VAL A 123 0.688 2.673 -12.748 1.00 0.00 C ATOM 1951 CG2 VAL A 123 -0.357 3.348 -10.572 1.00 0.00 C ATOM 0 H VAL A 123 0.564 0.099 -12.820 1.00 0.00 H new ATOM 0 HA VAL A 123 -1.072 0.722 -10.495 1.00 0.00 H new ATOM 0 HB VAL A 123 1.122 1.837 -10.838 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.398 3.493 -12.639 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.164 1.849 -13.279 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -0.179 3.016 -13.313 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.369 4.158 -10.498 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.255 3.710 -11.073 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.615 2.999 -9.572 1.00 0.00 H new ATOM 1961 N HIS A 124 -3.125 1.595 -11.559 1.00 0.00 N ATOM 1962 CA HIS A 124 -4.375 2.046 -12.166 1.00 0.00 C ATOM 1963 C HIS A 124 -5.054 3.099 -11.292 1.00 0.00 C ATOM 1964 O HIS A 124 -5.930 2.780 -10.489 1.00 0.00 O ATOM 1965 CB HIS A 124 -5.319 0.863 -12.381 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.699 -0.267 -13.141 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.932 -0.488 -14.483 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.852 -1.245 -12.743 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -4.255 -1.553 -14.875 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.591 -2.029 -13.839 1.00 0.00 N ATOM 0 H HIS A 124 -3.201 1.350 -10.572 1.00 0.00 H new ATOM 0 HA HIS A 124 -4.140 2.494 -13.131 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.655 0.496 -11.411 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -6.204 1.208 -12.916 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -5.533 0.081 -15.079 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.455 -1.383 -11.748 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -4.247 -1.964 -15.874 1.00 0.00 H new ATOM 1979 N GLY A 125 -4.643 4.354 -11.453 1.00 0.00 N ATOM 1980 CA GLY A 125 -5.222 5.432 -10.669 1.00 0.00 C ATOM 1981 C GLY A 125 -6.616 5.810 -11.133 1.00 0.00 C ATOM 1982 O GLY A 125 -6.773 6.529 -12.120 1.00 0.00 O ATOM 0 H GLY A 125 -3.920 4.644 -12.112 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -5.261 5.134 -9.621 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -4.574 6.307 -10.728 1.00 0.00 H new ATOM 1986 N PHE A 126 -7.627 5.320 -10.411 1.00 0.00 N ATOM 1987 CA PHE A 126 -9.034 5.591 -10.727 1.00 0.00 C ATOM 1988 C PHE A 126 -9.277 5.693 -12.232 1.00 0.00 C ATOM 1989 O PHE A 126 -8.525 5.055 -12.997 1.00 0.00 O ATOM 1990 CB PHE A 126 -9.515 6.867 -10.021 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.634 8.070 -10.227 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -8.384 8.567 -11.498 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -8.059 8.706 -9.140 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -7.574 9.674 -11.676 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -7.250 9.811 -9.312 1.00 0.00 C ATOM 1996 CZ PHE A 126 -7.006 10.296 -10.582 1.00 0.00 C ATOM 1997 OXT PHE A 126 -10.223 6.406 -12.631 1.00 0.00 O ATOM 0 H PHE A 126 -7.495 4.726 -9.593 1.00 0.00 H new ATOM 0 HA PHE A 126 -9.612 4.744 -10.359 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -10.519 7.104 -10.373 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -9.591 6.668 -8.952 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -8.826 8.085 -12.357 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -8.246 8.332 -8.144 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -7.386 10.052 -12.670 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -6.808 10.296 -8.454 1.00 0.00 H new ATOM 0 HZ PHE A 126 -6.372 11.160 -10.719 1.00 0.00 H new