USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 872 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 131 LYS NZ :NH3+ 157:sc= 1.19 (180deg=0) USER MOD Set 1.2: A 133 GLN : amide:sc= -0.161 K(o=1,f=-7!) USER MOD Set 2.1: A 116 ASN :FLIP amide:sc=-0.00133 F(o=-0.71,f=0.42) USER MOD Set 2.2: A 117 GLN : amide:sc= 0.417 X(o=0.42,f=-0.0013) USER MOD Set 3.1: A 70 THR OG1 : rot 12:sc= 1.85 USER MOD Set 3.2: A 81 LYS NZ :NH3+ -145:sc= 1.26 (180deg=0) USER MOD Set 4.1: A 39 HIS : no HE2:sc= 0.77 K(o=1.6,f=-19!) USER MOD Set 4.2: A 76 LYS NZ :NH3+ -173:sc= 0.872 (180deg=-0.135) USER MOD Single : A 40 THR OG1 : rot -134:sc= 0.709 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 44 LYS NZ :NH3+ 150:sc= 1.5 (180deg=-0.555!) USER MOD Single : A 52 THR OG1 : rot -53:sc= 0.675 USER MOD Single : A 53 TYR OH : rot 15:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -134:sc= 0.844 (180deg=-0.0225) USER MOD Single : A 68 THR OG1 : rot 87:sc= 1.01 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.997 F(o=-3.4!,f=-1) USER MOD Single : A 79 ASN : amide:sc= -0.098 K(o=-0.098,f=-7.9!) USER MOD Single : A 84 HIS : no HE2:sc= -1.45 K(o=-1.4,f=-5!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= -0.131 USER MOD Single : A 91 ASN : amide:sc= 1.24 K(o=1.2,f=-12!) USER MOD Single : A 100 LYS NZ :NH3+ -169:sc=-0.00403 (180deg=-0.116) USER MOD Single : A 104 LYS NZ :NH3+ 146:sc= 1.16 (180deg=0.835) USER MOD Single : A 106 HIS : no HE2:sc= 0.706 K(o=0.71,f=-6.4!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot -33:sc= 0.842 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 141:sc= 1.18 USER MOD Single : A 123 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 124 SER OG : rot 44:sc= 1.25 USER MOD Single : A 138 SER OG : rot -57:sc= 0.855 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 THR OG1 : rot 172:sc= -0.0763 USER MOD Single : A 145 ASN : amide:sc= -0.382 K(o=-0.38,f=-3.6!) USER MOD Single : A 149 HIS : no HE2:sc= 0.592 K(o=0.59,f=-6.4!) USER MOD Single : A 155 LYS NZ :NH3+ -160:sc= 0.707 (180deg=-1.48!) USER MOD Single : A 156 GLN : amide:sc= 0.74 K(o=0.74,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 560 N GLY A 37 -10.568 -13.363 -4.020 1.00 2.58 N ATOM 561 CA GLY A 37 -10.250 -12.237 -4.868 1.00 2.07 C ATOM 562 C GLY A 37 -11.418 -11.252 -4.940 1.00 2.30 C ATOM 563 O GLY A 37 -11.234 -10.066 -4.663 1.00 2.73 O ATOM 0 HA2 GLY A 37 -9.365 -11.729 -4.485 1.00 2.07 H new ATOM 0 HA3 GLY A 37 -10.006 -12.590 -5.870 1.00 2.07 H new ATOM 567 N GLU A 38 -12.595 -11.749 -5.336 1.00 2.57 N ATOM 568 CA GLU A 38 -13.829 -11.007 -5.583 1.00 3.05 C ATOM 569 C GLU A 38 -13.582 -9.726 -6.371 1.00 2.80 C ATOM 570 O GLU A 38 -13.642 -9.748 -7.593 1.00 2.52 O ATOM 571 CB GLU A 38 -14.648 -10.776 -4.300 1.00 3.87 C ATOM 572 CG GLU A 38 -15.506 -11.997 -3.924 1.00 4.41 C ATOM 573 CD GLU A 38 -16.734 -12.194 -4.816 1.00 5.36 C ATOM 574 OE1 GLU A 38 -16.876 -11.442 -5.806 1.00 6.75 O ATOM 575 OE2 GLU A 38 -17.491 -13.147 -4.536 1.00 5.28 O ATOM 0 H GLU A 38 -12.715 -12.748 -5.503 1.00 2.57 H new ATOM 0 HA GLU A 38 -14.450 -11.639 -6.218 1.00 3.05 H new ATOM 0 HB2 GLU A 38 -13.972 -10.543 -3.477 1.00 3.87 H new ATOM 0 HB3 GLU A 38 -15.294 -9.909 -4.436 1.00 3.87 H new ATOM 0 HG2 GLU A 38 -14.886 -12.892 -3.973 1.00 4.41 H new ATOM 0 HG3 GLU A 38 -15.834 -11.893 -2.890 1.00 4.41 H new ATOM 582 N HIS A 39 -13.303 -8.595 -5.720 1.00 3.21 N ATOM 583 CA HIS A 39 -12.909 -7.405 -6.452 1.00 3.63 C ATOM 584 C HIS A 39 -11.717 -7.650 -7.368 1.00 3.03 C ATOM 585 O HIS A 39 -11.716 -7.157 -8.487 1.00 3.37 O ATOM 586 CB HIS A 39 -12.625 -6.259 -5.490 1.00 4.64 C ATOM 587 CG HIS A 39 -11.205 -5.766 -5.436 1.00 6.96 C ATOM 588 ND1 HIS A 39 -10.577 -5.058 -6.433 1.00 9.02 N ATOM 589 CD2 HIS A 39 -10.243 -6.207 -4.569 1.00 7.84 C ATOM 590 CE1 HIS A 39 -9.261 -5.078 -6.172 1.00 10.76 C ATOM 591 NE2 HIS A 39 -9.006 -5.747 -5.034 1.00 10.22 N ATOM 0 H HIS A 39 -13.343 -8.485 -4.707 1.00 3.21 H new ATOM 0 HA HIS A 39 -13.746 -7.131 -7.094 1.00 3.63 H new ATOM 0 HB2 HIS A 39 -13.268 -5.421 -5.759 1.00 4.64 H new ATOM 0 HB3 HIS A 39 -12.915 -6.575 -4.488 1.00 4.64 H new ATOM 0 HD1 HIS A 39 -11.028 -4.601 -7.226 1.00 9.02 H new ATOM 0 HD2 HIS A 39 -10.409 -6.803 -3.684 1.00 7.84 H new ATOM 0 HE1 HIS A 39 -8.507 -4.618 -6.793 1.00 10.76 H new ATOM 599 N THR A 40 -10.661 -8.308 -6.881 1.00 2.51 N ATOM 600 CA THR A 40 -9.404 -8.278 -7.624 1.00 2.61 C ATOM 601 C THR A 40 -9.619 -8.899 -8.998 1.00 2.32 C ATOM 602 O THR A 40 -9.120 -8.420 -10.009 1.00 3.00 O ATOM 603 CB THR A 40 -8.262 -8.923 -6.835 1.00 2.57 C ATOM 604 OG1 THR A 40 -7.042 -8.483 -7.382 1.00 3.82 O ATOM 605 CG2 THR A 40 -8.311 -10.448 -6.881 1.00 3.33 C ATOM 0 H THR A 40 -10.649 -8.845 -6.014 1.00 2.51 H new ATOM 0 HA THR A 40 -9.093 -7.244 -7.773 1.00 2.61 H new ATOM 0 HB THR A 40 -8.361 -8.627 -5.791 1.00 2.57 H new ATOM 0 HG1 THR A 40 -6.437 -9.247 -7.488 1.00 3.82 H new ATOM 0 HG21 THR A 40 -7.480 -10.856 -6.306 1.00 3.33 H new ATOM 0 HG22 THR A 40 -9.252 -10.795 -6.454 1.00 3.33 H new ATOM 0 HG23 THR A 40 -8.236 -10.783 -7.915 1.00 3.33 H new ATOM 613 N SER A 41 -10.443 -9.938 -9.035 1.00 1.49 N ATOM 614 CA SER A 41 -10.947 -10.469 -10.280 1.00 1.33 C ATOM 615 C SER A 41 -11.948 -9.475 -10.903 1.00 1.51 C ATOM 616 O SER A 41 -11.672 -8.891 -11.955 1.00 1.62 O ATOM 617 CB SER A 41 -11.516 -11.851 -9.963 1.00 1.66 C ATOM 618 OG SER A 41 -12.288 -11.800 -8.777 1.00 3.14 O ATOM 0 H SER A 41 -10.775 -10.429 -8.205 1.00 1.49 H new ATOM 0 HA SER A 41 -10.177 -10.592 -11.042 1.00 1.33 H new ATOM 0 HB2 SER A 41 -12.132 -12.198 -10.792 1.00 1.66 H new ATOM 0 HB3 SER A 41 -10.704 -12.569 -9.847 1.00 1.66 H new ATOM 0 HG SER A 41 -12.650 -12.690 -8.583 1.00 3.14 H new ATOM 624 N PHE A 42 -13.096 -9.282 -10.242 1.00 1.96 N ATOM 625 CA PHE A 42 -14.278 -8.554 -10.721 1.00 2.59 C ATOM 626 C PHE A 42 -14.009 -7.158 -11.306 1.00 2.83 C ATOM 627 O PHE A 42 -14.679 -6.782 -12.265 1.00 3.13 O ATOM 628 CB PHE A 42 -15.353 -8.481 -9.623 1.00 3.10 C ATOM 629 CG PHE A 42 -16.586 -7.651 -9.954 1.00 3.66 C ATOM 630 CD1 PHE A 42 -17.201 -7.755 -11.217 1.00 4.11 C ATOM 631 CD2 PHE A 42 -16.978 -6.618 -9.079 1.00 4.49 C ATOM 632 CE1 PHE A 42 -18.060 -6.738 -11.667 1.00 4.85 C ATOM 633 CE2 PHE A 42 -17.902 -5.647 -9.499 1.00 5.21 C ATOM 634 CZ PHE A 42 -18.422 -5.690 -10.804 1.00 5.19 C ATOM 0 H PHE A 42 -13.233 -9.652 -9.301 1.00 1.96 H new ATOM 0 HA PHE A 42 -14.638 -9.142 -11.565 1.00 2.59 H new ATOM 0 HB2 PHE A 42 -15.674 -9.496 -9.388 1.00 3.10 H new ATOM 0 HB3 PHE A 42 -14.896 -8.074 -8.721 1.00 3.10 H new ATOM 0 HD1 PHE A 42 -17.012 -8.617 -11.840 1.00 4.11 H new ATOM 0 HD2 PHE A 42 -16.566 -6.573 -8.082 1.00 4.49 H new ATOM 0 HE1 PHE A 42 -18.442 -6.762 -12.677 1.00 4.85 H new ATOM 0 HE2 PHE A 42 -18.213 -4.867 -8.819 1.00 5.21 H new ATOM 0 HZ PHE A 42 -19.098 -4.919 -11.143 1.00 5.19 H new ATOM 644 N ASP A 43 -13.071 -6.373 -10.763 1.00 2.93 N ATOM 645 CA ASP A 43 -12.681 -5.076 -11.327 1.00 3.55 C ATOM 646 C ASP A 43 -12.365 -5.229 -12.830 1.00 3.40 C ATOM 647 O ASP A 43 -12.537 -4.277 -13.593 1.00 4.27 O ATOM 648 CB ASP A 43 -11.502 -4.450 -10.546 1.00 3.82 C ATOM 649 CG ASP A 43 -11.888 -3.444 -9.456 1.00 3.67 C ATOM 650 OD1 ASP A 43 -11.888 -2.227 -9.768 1.00 4.70 O ATOM 651 OD2 ASP A 43 -12.116 -3.880 -8.304 1.00 3.47 O ATOM 0 H ASP A 43 -12.559 -6.621 -9.916 1.00 2.93 H new ATOM 0 HA ASP A 43 -13.518 -4.385 -11.226 1.00 3.55 H new ATOM 0 HB2 ASP A 43 -10.927 -5.254 -10.086 1.00 3.82 H new ATOM 0 HB3 ASP A 43 -10.842 -3.953 -11.257 1.00 3.82 H new ATOM 656 N LYS A 44 -11.964 -6.435 -13.251 1.00 2.44 N ATOM 657 CA LYS A 44 -11.796 -6.958 -14.602 1.00 2.20 C ATOM 658 C LYS A 44 -10.319 -6.890 -14.908 1.00 2.39 C ATOM 659 O LYS A 44 -9.883 -6.253 -15.865 1.00 2.78 O ATOM 660 CB LYS A 44 -12.696 -6.335 -15.680 1.00 2.40 C ATOM 661 CG LYS A 44 -14.176 -6.666 -15.433 1.00 2.53 C ATOM 662 CD LYS A 44 -15.117 -5.507 -15.050 1.00 2.44 C ATOM 663 CE LYS A 44 -15.024 -4.293 -15.984 1.00 3.24 C ATOM 664 NZ LYS A 44 -14.101 -3.272 -15.453 1.00 4.13 N ATOM 0 H LYS A 44 -11.722 -7.149 -12.564 1.00 2.44 H new ATOM 0 HA LYS A 44 -12.149 -7.989 -14.630 1.00 2.20 H new ATOM 0 HB2 LYS A 44 -12.560 -5.254 -15.690 1.00 2.40 H new ATOM 0 HB3 LYS A 44 -12.398 -6.702 -16.662 1.00 2.40 H new ATOM 0 HG2 LYS A 44 -14.570 -7.133 -16.336 1.00 2.53 H new ATOM 0 HG3 LYS A 44 -14.225 -7.413 -14.640 1.00 2.53 H new ATOM 0 HD2 LYS A 44 -16.144 -5.872 -15.047 1.00 2.44 H new ATOM 0 HD3 LYS A 44 -14.889 -5.188 -14.033 1.00 2.44 H new ATOM 0 HE2 LYS A 44 -14.685 -4.615 -16.968 1.00 3.24 H new ATOM 0 HE3 LYS A 44 -16.014 -3.857 -16.115 1.00 3.24 H new ATOM 0 HZ1 LYS A 44 -13.666 -2.753 -16.242 1.00 4.13 H new ATOM 0 HZ2 LYS A 44 -14.628 -2.608 -14.851 1.00 4.13 H new ATOM 0 HZ3 LYS A 44 -13.358 -3.734 -14.891 1.00 4.13 H new ATOM 678 N LEU A 45 -9.567 -7.524 -14.011 1.00 2.20 N ATOM 679 CA LEU A 45 -8.121 -7.435 -13.968 1.00 2.29 C ATOM 680 C LEU A 45 -7.519 -8.764 -14.451 1.00 2.37 C ATOM 681 O LEU A 45 -8.200 -9.787 -14.403 1.00 2.78 O ATOM 682 CB LEU A 45 -7.654 -7.057 -12.555 1.00 2.39 C ATOM 683 CG LEU A 45 -8.431 -5.884 -11.924 1.00 2.04 C ATOM 684 CD1 LEU A 45 -7.859 -5.534 -10.545 1.00 2.63 C ATOM 685 CD2 LEU A 45 -8.369 -4.624 -12.797 1.00 2.75 C ATOM 0 H LEU A 45 -9.958 -8.123 -13.284 1.00 2.20 H new ATOM 0 HA LEU A 45 -7.771 -6.647 -14.636 1.00 2.29 H new ATOM 0 HB2 LEU A 45 -7.747 -7.929 -11.908 1.00 2.39 H new ATOM 0 HB3 LEU A 45 -6.596 -6.799 -12.591 1.00 2.39 H new ATOM 0 HG LEU A 45 -9.467 -6.210 -11.835 1.00 2.04 H new ATOM 0 HD11 LEU A 45 -8.422 -4.704 -10.118 1.00 2.63 H new ATOM 0 HD12 LEU A 45 -7.936 -6.401 -9.889 1.00 2.63 H new ATOM 0 HD13 LEU A 45 -6.812 -5.248 -10.647 1.00 2.63 H new ATOM 0 HD21 LEU A 45 -8.929 -3.821 -12.317 1.00 2.75 H new ATOM 0 HD22 LEU A 45 -7.330 -4.318 -12.921 1.00 2.75 H new ATOM 0 HD23 LEU A 45 -8.804 -4.836 -13.774 1.00 2.75 H new ATOM 697 N PRO A 46 -6.275 -8.755 -14.955 1.00 2.38 N ATOM 698 CA PRO A 46 -5.574 -9.947 -15.411 1.00 2.54 C ATOM 699 C PRO A 46 -5.402 -11.003 -14.315 1.00 1.90 C ATOM 700 O PRO A 46 -5.733 -10.779 -13.155 1.00 1.63 O ATOM 701 CB PRO A 46 -4.194 -9.479 -15.884 1.00 3.21 C ATOM 702 CG PRO A 46 -4.293 -7.963 -16.024 1.00 3.10 C ATOM 703 CD PRO A 46 -5.514 -7.549 -15.207 1.00 2.73 C ATOM 0 HA PRO A 46 -6.156 -10.423 -16.200 1.00 2.54 H new ATOM 0 HB2 PRO A 46 -3.421 -9.756 -15.167 1.00 3.21 H new ATOM 0 HB3 PRO A 46 -3.929 -9.943 -16.834 1.00 3.21 H new ATOM 0 HG2 PRO A 46 -3.391 -7.476 -15.653 1.00 3.10 H new ATOM 0 HG3 PRO A 46 -4.405 -7.673 -17.069 1.00 3.10 H new ATOM 0 HD2 PRO A 46 -5.212 -7.079 -14.271 1.00 2.73 H new ATOM 0 HD3 PRO A 46 -6.114 -6.819 -15.751 1.00 2.73 H new ATOM 711 N GLU A 47 -4.790 -12.131 -14.685 1.00 2.30 N ATOM 712 CA GLU A 47 -4.423 -13.188 -13.755 1.00 2.52 C ATOM 713 C GLU A 47 -3.460 -12.670 -12.681 1.00 2.35 C ATOM 714 O GLU A 47 -3.639 -12.936 -11.499 1.00 3.37 O ATOM 715 CB GLU A 47 -3.775 -14.346 -14.528 1.00 3.50 C ATOM 716 CG GLU A 47 -4.708 -14.971 -15.576 1.00 3.79 C ATOM 717 CD GLU A 47 -5.927 -15.652 -14.962 1.00 4.81 C ATOM 718 OE1 GLU A 47 -5.774 -16.204 -13.850 1.00 5.80 O ATOM 719 OE2 GLU A 47 -6.985 -15.630 -15.625 1.00 5.42 O ATOM 0 H GLU A 47 -4.535 -12.333 -15.652 1.00 2.30 H new ATOM 0 HA GLU A 47 -5.326 -13.539 -13.255 1.00 2.52 H new ATOM 0 HB2 GLU A 47 -2.874 -13.984 -15.023 1.00 3.50 H new ATOM 0 HB3 GLU A 47 -3.464 -15.116 -13.822 1.00 3.50 H new ATOM 0 HG2 GLU A 47 -5.041 -14.195 -16.265 1.00 3.79 H new ATOM 0 HG3 GLU A 47 -4.149 -15.700 -16.163 1.00 3.79 H new ATOM 726 N GLY A 48 -2.411 -11.943 -13.072 1.00 2.15 N ATOM 727 CA GLY A 48 -1.347 -11.582 -12.148 1.00 2.76 C ATOM 728 C GLY A 48 -0.480 -10.452 -12.687 1.00 1.52 C ATOM 729 O GLY A 48 -0.757 -9.907 -13.755 1.00 1.90 O ATOM 0 H GLY A 48 -2.281 -11.596 -14.022 1.00 2.15 H new ATOM 0 HA2 GLY A 48 -1.782 -11.282 -11.195 1.00 2.76 H new ATOM 0 HA3 GLY A 48 -0.724 -12.455 -11.954 1.00 2.76 H new ATOM 733 N GLY A 49 0.576 -10.119 -11.947 1.00 1.90 N ATOM 734 CA GLY A 49 1.667 -9.277 -12.387 1.00 1.42 C ATOM 735 C GLY A 49 1.752 -7.930 -11.664 1.00 1.35 C ATOM 736 O GLY A 49 2.579 -7.763 -10.770 1.00 1.99 O ATOM 0 H GLY A 49 0.692 -10.446 -10.988 1.00 1.90 H new ATOM 0 HA2 GLY A 49 2.605 -9.813 -12.244 1.00 1.42 H new ATOM 0 HA3 GLY A 49 1.563 -9.096 -13.457 1.00 1.42 H new ATOM 740 N ARG A 50 0.987 -6.930 -12.119 1.00 0.93 N ATOM 741 CA ARG A 50 1.141 -5.538 -11.691 1.00 0.92 C ATOM 742 C ARG A 50 -0.159 -4.754 -11.856 1.00 0.92 C ATOM 743 O ARG A 50 -0.626 -4.600 -12.983 1.00 1.18 O ATOM 744 CB ARG A 50 2.238 -4.829 -12.503 1.00 1.06 C ATOM 745 CG ARG A 50 3.635 -5.447 -12.354 1.00 1.70 C ATOM 746 CD ARG A 50 4.691 -4.508 -12.946 1.00 2.43 C ATOM 747 NE ARG A 50 5.998 -5.172 -13.052 1.00 3.28 N ATOM 748 CZ ARG A 50 7.102 -4.600 -13.559 1.00 4.58 C ATOM 749 NH1 ARG A 50 7.067 -3.323 -13.956 1.00 5.40 N ATOM 750 NH2 ARG A 50 8.233 -5.307 -13.667 1.00 5.55 N ATOM 0 H ARG A 50 0.239 -7.067 -12.799 1.00 0.93 H new ATOM 0 HA ARG A 50 1.417 -5.565 -10.637 1.00 0.92 H new ATOM 0 HB2 ARG A 50 1.959 -4.841 -13.557 1.00 1.06 H new ATOM 0 HB3 ARG A 50 2.282 -3.784 -12.197 1.00 1.06 H new ATOM 0 HG2 ARG A 50 3.850 -5.631 -11.301 1.00 1.70 H new ATOM 0 HG3 ARG A 50 3.670 -6.412 -12.860 1.00 1.70 H new ATOM 0 HD2 ARG A 50 4.370 -4.173 -13.932 1.00 2.43 H new ATOM 0 HD3 ARG A 50 4.782 -3.620 -12.321 1.00 2.43 H new ATOM 0 HE ARG A 50 6.071 -6.133 -12.718 1.00 3.28 H new ATOM 0 HH11 ARG A 50 6.203 -2.787 -13.873 1.00 5.40 H new ATOM 0 HH12 ARG A 50 7.904 -2.886 -14.342 1.00 5.40 H new ATOM 0 HH21 ARG A 50 8.257 -6.281 -13.364 1.00 5.55 H new ATOM 0 HH22 ARG A 50 9.071 -4.872 -14.052 1.00 5.55 H new ATOM 764 N ALA A 51 -0.681 -4.176 -10.766 1.00 1.02 N ATOM 765 CA ALA A 51 -1.618 -3.061 -10.855 1.00 1.07 C ATOM 766 C ALA A 51 -0.835 -1.784 -11.126 1.00 0.90 C ATOM 767 O ALA A 51 0.392 -1.797 -11.149 1.00 1.05 O ATOM 768 CB ALA A 51 -2.456 -2.893 -9.583 1.00 1.49 C ATOM 0 H ALA A 51 -0.466 -4.467 -9.812 1.00 1.02 H new ATOM 0 HA ALA A 51 -2.313 -3.271 -11.668 1.00 1.07 H new ATOM 0 HB1 ALA A 51 -3.136 -2.050 -9.704 1.00 1.49 H new ATOM 0 HB2 ALA A 51 -3.032 -3.801 -9.404 1.00 1.49 H new ATOM 0 HB3 ALA A 51 -1.797 -2.709 -8.735 1.00 1.49 H new ATOM 774 N THR A 52 -1.556 -0.685 -11.335 1.00 1.05 N ATOM 775 CA THR A 52 -1.004 0.534 -11.891 1.00 0.88 C ATOM 776 C THR A 52 -1.162 1.686 -10.893 1.00 1.09 C ATOM 777 O THR A 52 -1.731 2.728 -11.215 1.00 1.56 O ATOM 778 CB THR A 52 -1.750 0.783 -13.223 1.00 1.00 C ATOM 779 OG1 THR A 52 -1.388 2.025 -13.785 1.00 1.27 O ATOM 780 CG2 THR A 52 -3.288 0.693 -13.095 1.00 1.22 C ATOM 0 H THR A 52 -2.551 -0.622 -11.118 1.00 1.05 H new ATOM 0 HA THR A 52 0.066 0.455 -12.084 1.00 0.88 H new ATOM 0 HB THR A 52 -1.438 -0.023 -13.888 1.00 1.00 H new ATOM 0 HG1 THR A 52 -1.504 2.733 -13.117 1.00 1.27 H new ATOM 0 HG21 THR A 52 -3.745 0.878 -14.067 1.00 1.22 H new ATOM 0 HG22 THR A 52 -3.567 -0.302 -12.746 1.00 1.22 H new ATOM 0 HG23 THR A 52 -3.638 1.439 -12.381 1.00 1.22 H new ATOM 788 N TYR A 53 -0.621 1.522 -9.686 1.00 1.22 N ATOM 789 CA TYR A 53 -0.722 2.536 -8.646 1.00 1.55 C ATOM 790 C TYR A 53 0.324 3.631 -8.868 1.00 1.41 C ATOM 791 O TYR A 53 1.445 3.531 -8.377 1.00 1.81 O ATOM 792 CB TYR A 53 -0.547 1.925 -7.246 1.00 1.95 C ATOM 793 CG TYR A 53 -1.422 0.752 -6.851 1.00 1.65 C ATOM 794 CD1 TYR A 53 -1.081 0.045 -5.683 1.00 2.79 C ATOM 795 CD2 TYR A 53 -2.589 0.404 -7.562 1.00 2.09 C ATOM 796 CE1 TYR A 53 -1.923 -0.965 -5.198 1.00 2.92 C ATOM 797 CE2 TYR A 53 -3.402 -0.647 -7.105 1.00 2.41 C ATOM 798 CZ TYR A 53 -3.090 -1.301 -5.902 1.00 2.24 C ATOM 799 OH TYR A 53 -3.922 -2.258 -5.407 1.00 2.84 O ATOM 0 H TYR A 53 -0.105 0.688 -9.407 1.00 1.22 H new ATOM 0 HA TYR A 53 -1.719 2.971 -8.705 1.00 1.55 H new ATOM 0 HB2 TYR A 53 0.492 1.610 -7.150 1.00 1.95 H new ATOM 0 HB3 TYR A 53 -0.708 2.718 -6.516 1.00 1.95 H new ATOM 0 HD1 TYR A 53 -0.167 0.282 -5.158 1.00 2.79 H new ATOM 0 HD2 TYR A 53 -2.858 0.945 -8.457 1.00 2.09 H new ATOM 0 HE1 TYR A 53 -1.674 -1.484 -4.284 1.00 2.92 H new ATOM 0 HE2 TYR A 53 -4.265 -0.951 -7.678 1.00 2.41 H new ATOM 0 HH TYR A 53 -3.699 -2.432 -4.469 1.00 2.84 H new ATOM 809 N ARG A 54 -0.042 4.710 -9.554 1.00 1.14 N ATOM 810 CA ARG A 54 0.665 5.965 -9.356 1.00 1.14 C ATOM 811 C ARG A 54 0.023 6.633 -8.148 1.00 0.97 C ATOM 812 O ARG A 54 -1.117 7.084 -8.227 1.00 1.06 O ATOM 813 CB ARG A 54 0.595 6.836 -10.608 1.00 1.38 C ATOM 814 CG ARG A 54 1.483 6.216 -11.695 1.00 1.41 C ATOM 815 CD ARG A 54 1.704 7.209 -12.835 1.00 2.09 C ATOM 816 NE ARG A 54 0.419 7.527 -13.479 1.00 3.21 N ATOM 817 CZ ARG A 54 0.079 8.637 -14.146 1.00 4.38 C ATOM 818 NH1 ARG A 54 1.008 9.563 -14.413 1.00 4.55 N ATOM 819 NH2 ARG A 54 -1.181 8.823 -14.548 1.00 5.76 N ATOM 0 H ARG A 54 -0.803 4.740 -10.233 1.00 1.14 H new ATOM 0 HA ARG A 54 1.727 5.802 -9.175 1.00 1.14 H new ATOM 0 HB2 ARG A 54 -0.434 6.910 -10.959 1.00 1.38 H new ATOM 0 HB3 ARG A 54 0.928 7.849 -10.382 1.00 1.38 H new ATOM 0 HG2 ARG A 54 2.442 5.925 -11.267 1.00 1.41 H new ATOM 0 HG3 ARG A 54 1.017 5.309 -12.080 1.00 1.41 H new ATOM 0 HD2 ARG A 54 2.164 8.120 -12.451 1.00 2.09 H new ATOM 0 HD3 ARG A 54 2.393 6.788 -13.567 1.00 2.09 H new ATOM 0 HE ARG A 54 -0.304 6.811 -13.408 1.00 3.21 H new ATOM 0 HH11 ARG A 54 1.971 9.422 -14.109 1.00 4.55 H new ATOM 0 HH12 ARG A 54 0.753 10.410 -14.921 1.00 4.55 H new ATOM 0 HH21 ARG A 54 -1.890 8.118 -14.347 1.00 5.76 H new ATOM 0 HH22 ARG A 54 -1.434 9.671 -15.056 1.00 5.76 H new ATOM 833 N GLY A 55 0.719 6.644 -7.011 1.00 0.86 N ATOM 834 CA GLY A 55 0.131 7.113 -5.775 1.00 0.71 C ATOM 835 C GLY A 55 1.174 7.563 -4.772 1.00 0.57 C ATOM 836 O GLY A 55 2.371 7.341 -4.958 1.00 0.59 O ATOM 0 H GLY A 55 1.687 6.333 -6.929 1.00 0.86 H new ATOM 0 HA2 GLY A 55 -0.544 7.941 -5.989 1.00 0.71 H new ATOM 0 HA3 GLY A 55 -0.470 6.316 -5.337 1.00 0.71 H new ATOM 840 N THR A 56 0.698 8.199 -3.708 1.00 0.56 N ATOM 841 CA THR A 56 1.492 8.734 -2.625 1.00 0.64 C ATOM 842 C THR A 56 1.029 8.089 -1.324 1.00 0.60 C ATOM 843 O THR A 56 -0.160 7.832 -1.132 1.00 0.78 O ATOM 844 CB THR A 56 1.349 10.263 -2.581 1.00 0.96 C ATOM 845 OG1 THR A 56 -0.013 10.633 -2.683 1.00 2.16 O ATOM 846 CG2 THR A 56 2.116 10.910 -3.738 1.00 1.46 C ATOM 0 H THR A 56 -0.301 8.360 -3.577 1.00 0.56 H new ATOM 0 HA THR A 56 2.548 8.509 -2.773 1.00 0.64 H new ATOM 0 HB THR A 56 1.758 10.608 -1.631 1.00 0.96 H new ATOM 0 HG1 THR A 56 -0.090 11.609 -2.652 1.00 2.16 H new ATOM 0 HG21 THR A 56 2.002 11.993 -3.689 1.00 1.46 H new ATOM 0 HG22 THR A 56 3.172 10.652 -3.663 1.00 1.46 H new ATOM 0 HG23 THR A 56 1.720 10.546 -4.686 1.00 1.46 H new ATOM 854 N ALA A 57 1.999 7.828 -0.453 1.00 0.62 N ATOM 855 CA ALA A 57 1.854 7.545 0.957 1.00 0.62 C ATOM 856 C ALA A 57 2.507 8.731 1.664 1.00 0.64 C ATOM 857 O ALA A 57 3.644 8.634 2.124 1.00 0.90 O ATOM 858 CB ALA A 57 2.568 6.228 1.268 1.00 0.65 C ATOM 0 H ALA A 57 2.977 7.809 -0.744 1.00 0.62 H new ATOM 0 HA ALA A 57 0.819 7.429 1.279 1.00 0.62 H new ATOM 0 HB1 ALA A 57 2.467 6.001 2.329 1.00 0.65 H new ATOM 0 HB2 ALA A 57 2.122 5.425 0.681 1.00 0.65 H new ATOM 0 HB3 ALA A 57 3.624 6.318 1.015 1.00 0.65 H new ATOM 864 N PHE A 58 1.808 9.868 1.677 1.00 0.55 N ATOM 865 CA PHE A 58 2.316 11.111 2.252 1.00 0.62 C ATOM 866 C PHE A 58 2.160 11.078 3.757 1.00 0.58 C ATOM 867 O PHE A 58 1.207 10.513 4.285 1.00 0.58 O ATOM 868 CB PHE A 58 1.704 12.339 1.579 1.00 0.77 C ATOM 869 CG PHE A 58 0.237 12.598 1.857 1.00 0.81 C ATOM 870 CD1 PHE A 58 -0.742 12.259 0.905 1.00 1.89 C ATOM 871 CD2 PHE A 58 -0.130 13.311 3.013 1.00 1.85 C ATOM 872 CE1 PHE A 58 -2.076 12.664 1.094 1.00 2.09 C ATOM 873 CE2 PHE A 58 -1.464 13.703 3.208 1.00 1.94 C ATOM 874 CZ PHE A 58 -2.435 13.398 2.238 1.00 1.34 C ATOM 0 H PHE A 58 0.869 9.951 1.287 1.00 0.55 H new ATOM 0 HA PHE A 58 3.384 11.198 2.051 1.00 0.62 H new ATOM 0 HB2 PHE A 58 2.271 13.217 1.889 1.00 0.77 H new ATOM 0 HB3 PHE A 58 1.835 12.239 0.502 1.00 0.77 H new ATOM 0 HD1 PHE A 58 -0.470 11.688 0.030 1.00 1.89 H new ATOM 0 HD2 PHE A 58 0.617 13.558 3.753 1.00 1.85 H new ATOM 0 HE1 PHE A 58 -2.826 12.411 0.359 1.00 2.09 H new ATOM 0 HE2 PHE A 58 -1.744 14.239 4.103 1.00 1.94 H new ATOM 0 HZ PHE A 58 -3.455 13.727 2.372 1.00 1.34 H new ATOM 884 N GLY A 59 3.142 11.635 4.453 1.00 0.63 N ATOM 885 CA GLY A 59 3.260 11.462 5.886 1.00 0.71 C ATOM 886 C GLY A 59 2.270 12.358 6.619 1.00 0.79 C ATOM 887 O GLY A 59 1.801 13.357 6.075 1.00 0.88 O ATOM 0 H GLY A 59 3.872 12.215 4.039 1.00 0.63 H new ATOM 0 HA2 GLY A 59 3.078 10.420 6.148 1.00 0.71 H new ATOM 0 HA3 GLY A 59 4.276 11.698 6.204 1.00 0.71 H new ATOM 891 N SER A 60 2.019 12.045 7.893 1.00 1.01 N ATOM 892 CA SER A 60 1.245 12.907 8.781 1.00 1.26 C ATOM 893 C SER A 60 1.826 14.326 8.822 1.00 1.19 C ATOM 894 O SER A 60 1.103 15.266 9.144 1.00 1.61 O ATOM 895 CB SER A 60 1.214 12.302 10.191 1.00 1.51 C ATOM 896 OG SER A 60 0.272 12.964 11.013 1.00 1.87 O ATOM 0 H SER A 60 2.348 11.186 8.335 1.00 1.01 H new ATOM 0 HA SER A 60 0.228 12.975 8.395 1.00 1.26 H new ATOM 0 HB2 SER A 60 0.965 11.243 10.129 1.00 1.51 H new ATOM 0 HB3 SER A 60 2.205 12.371 10.641 1.00 1.51 H new ATOM 0 HG SER A 60 0.273 12.557 11.904 1.00 1.87 H new ATOM 902 N ASP A 61 3.129 14.451 8.538 1.00 0.92 N ATOM 903 CA ASP A 61 3.882 15.696 8.476 1.00 1.11 C ATOM 904 C ASP A 61 4.526 15.854 7.086 1.00 0.97 C ATOM 905 O ASP A 61 5.581 16.468 6.962 1.00 1.04 O ATOM 906 CB ASP A 61 4.959 15.607 9.571 1.00 1.45 C ATOM 907 CG ASP A 61 5.620 16.945 9.880 1.00 2.03 C ATOM 908 OD1 ASP A 61 6.835 16.915 10.173 1.00 2.09 O ATOM 909 OD2 ASP A 61 4.891 17.960 9.881 1.00 3.24 O ATOM 0 H ASP A 61 3.711 13.638 8.335 1.00 0.92 H new ATOM 0 HA ASP A 61 3.239 16.562 8.634 1.00 1.11 H new ATOM 0 HB2 ASP A 61 4.508 15.214 10.482 1.00 1.45 H new ATOM 0 HB3 ASP A 61 5.724 14.895 9.261 1.00 1.45 H new ATOM 914 N ASP A 62 3.957 15.208 6.054 1.00 0.88 N ATOM 915 CA ASP A 62 4.662 14.747 4.880 1.00 0.95 C ATOM 916 C ASP A 62 6.186 14.679 4.917 1.00 1.01 C ATOM 917 O ASP A 62 6.886 15.396 4.205 1.00 1.28 O ATOM 918 CB ASP A 62 4.091 15.235 3.550 1.00 1.20 C ATOM 919 CG ASP A 62 4.523 14.284 2.438 1.00 1.86 C ATOM 920 OD1 ASP A 62 4.827 13.114 2.779 1.00 2.92 O ATOM 921 OD2 ASP A 62 4.464 14.701 1.263 1.00 2.36 O ATOM 0 H ASP A 62 2.960 14.993 6.028 1.00 0.88 H new ATOM 0 HA ASP A 62 4.417 13.687 4.941 1.00 0.95 H new ATOM 0 HB2 ASP A 62 3.003 15.281 3.603 1.00 1.20 H new ATOM 0 HB3 ASP A 62 4.443 16.245 3.338 1.00 1.20 H new ATOM 926 N ALA A 63 6.672 13.684 5.662 1.00 0.91 N ATOM 927 CA ALA A 63 7.901 12.999 5.312 1.00 0.90 C ATOM 928 C ALA A 63 7.520 11.579 4.887 1.00 0.76 C ATOM 929 O ALA A 63 8.050 10.601 5.405 1.00 0.87 O ATOM 930 CB ALA A 63 8.799 12.992 6.546 1.00 1.06 C ATOM 0 H ALA A 63 6.226 13.340 6.512 1.00 0.91 H new ATOM 0 HA ALA A 63 8.437 13.485 4.497 1.00 0.90 H new ATOM 0 HB1 ALA A 63 9.734 12.482 6.313 1.00 1.06 H new ATOM 0 HB2 ALA A 63 9.011 14.018 6.848 1.00 1.06 H new ATOM 0 HB3 ALA A 63 8.295 12.471 7.360 1.00 1.06 H new ATOM 936 N GLY A 64 6.613 11.485 3.917 1.00 0.72 N ATOM 937 CA GLY A 64 6.101 10.265 3.324 1.00 0.65 C ATOM 938 C GLY A 64 6.620 10.184 1.884 1.00 0.71 C ATOM 939 O GLY A 64 7.441 11.007 1.479 1.00 1.06 O ATOM 0 H GLY A 64 6.193 12.317 3.502 1.00 0.72 H new ATOM 0 HA2 GLY A 64 6.428 9.397 3.896 1.00 0.65 H new ATOM 0 HA3 GLY A 64 5.011 10.263 3.337 1.00 0.65 H new ATOM 943 N GLY A 65 6.250 9.142 1.134 1.00 0.83 N ATOM 944 CA GLY A 65 6.860 8.840 -0.150 1.00 1.10 C ATOM 945 C GLY A 65 5.904 8.125 -1.103 1.00 0.62 C ATOM 946 O GLY A 65 4.731 7.931 -0.802 1.00 0.77 O ATOM 0 H GLY A 65 5.517 8.487 1.407 1.00 0.83 H new ATOM 0 HA2 GLY A 65 7.202 9.766 -0.612 1.00 1.10 H new ATOM 0 HA3 GLY A 65 7.741 8.218 0.008 1.00 1.10 H new ATOM 950 N LYS A 66 6.395 7.801 -2.298 1.00 0.74 N ATOM 951 CA LYS A 66 5.602 7.347 -3.436 1.00 0.67 C ATOM 952 C LYS A 66 5.192 5.879 -3.274 1.00 0.62 C ATOM 953 O LYS A 66 6.052 5.032 -3.056 1.00 0.97 O ATOM 954 CB LYS A 66 6.491 7.423 -4.679 1.00 0.87 C ATOM 955 CG LYS A 66 7.061 8.818 -4.954 1.00 1.13 C ATOM 956 CD LYS A 66 8.186 8.740 -6.006 1.00 1.70 C ATOM 957 CE LYS A 66 9.505 8.149 -5.463 1.00 2.27 C ATOM 958 NZ LYS A 66 9.677 6.684 -5.633 1.00 3.58 N ATOM 0 H LYS A 66 7.392 7.850 -2.506 1.00 0.74 H new ATOM 0 HA LYS A 66 4.710 7.969 -3.512 1.00 0.67 H new ATOM 0 HB2 LYS A 66 7.317 6.720 -4.566 1.00 0.87 H new ATOM 0 HB3 LYS A 66 5.914 7.100 -5.546 1.00 0.87 H new ATOM 0 HG2 LYS A 66 6.269 9.478 -5.307 1.00 1.13 H new ATOM 0 HG3 LYS A 66 7.447 9.249 -4.030 1.00 1.13 H new ATOM 0 HD2 LYS A 66 7.845 8.134 -6.845 1.00 1.70 H new ATOM 0 HD3 LYS A 66 8.379 9.740 -6.393 1.00 1.70 H new ATOM 0 HE2 LYS A 66 10.336 8.653 -5.956 1.00 2.27 H new ATOM 0 HE3 LYS A 66 9.575 8.383 -4.401 1.00 2.27 H new ATOM 0 HZ1 LYS A 66 10.019 6.269 -4.743 1.00 3.58 H new ATOM 0 HZ2 LYS A 66 8.765 6.254 -5.887 1.00 3.58 H new ATOM 0 HZ3 LYS A 66 10.368 6.501 -6.388 1.00 3.58 H new ATOM 972 N LEU A 67 3.914 5.547 -3.460 1.00 0.55 N ATOM 973 CA LEU A 67 3.467 4.159 -3.452 1.00 0.58 C ATOM 974 C LEU A 67 3.786 3.527 -4.811 1.00 0.60 C ATOM 975 O LEU A 67 2.940 3.506 -5.699 1.00 1.04 O ATOM 976 CB LEU A 67 1.966 4.096 -3.130 1.00 0.62 C ATOM 977 CG LEU A 67 1.437 2.653 -3.028 1.00 0.68 C ATOM 978 CD1 LEU A 67 1.946 1.948 -1.764 1.00 0.71 C ATOM 979 CD2 LEU A 67 -0.095 2.678 -3.026 1.00 0.85 C ATOM 0 H LEU A 67 3.169 6.226 -3.618 1.00 0.55 H new ATOM 0 HA LEU A 67 3.990 3.595 -2.680 1.00 0.58 H new ATOM 0 HB2 LEU A 67 1.779 4.614 -2.189 1.00 0.62 H new ATOM 0 HB3 LEU A 67 1.411 4.628 -3.903 1.00 0.62 H new ATOM 0 HG LEU A 67 1.805 2.094 -3.888 1.00 0.68 H new ATOM 0 HD11 LEU A 67 1.550 0.933 -1.729 1.00 0.71 H new ATOM 0 HD12 LEU A 67 3.035 1.913 -1.781 1.00 0.71 H new ATOM 0 HD13 LEU A 67 1.614 2.497 -0.883 1.00 0.71 H new ATOM 0 HD21 LEU A 67 -0.475 1.659 -2.954 1.00 0.85 H new ATOM 0 HD22 LEU A 67 -0.448 3.258 -2.174 1.00 0.85 H new ATOM 0 HD23 LEU A 67 -0.453 3.134 -3.949 1.00 0.85 H new ATOM 991 N THR A 68 5.003 3.010 -4.984 1.00 0.74 N ATOM 992 CA THR A 68 5.441 2.478 -6.271 1.00 0.84 C ATOM 993 C THR A 68 4.858 1.081 -6.500 1.00 1.05 C ATOM 994 O THR A 68 5.055 0.187 -5.682 1.00 1.59 O ATOM 995 CB THR A 68 6.980 2.494 -6.346 1.00 1.26 C ATOM 996 OG1 THR A 68 7.536 3.495 -5.508 1.00 2.52 O ATOM 997 CG2 THR A 68 7.423 2.757 -7.789 1.00 1.58 C ATOM 0 H THR A 68 5.704 2.949 -4.245 1.00 0.74 H new ATOM 0 HA THR A 68 5.067 3.111 -7.076 1.00 0.84 H new ATOM 0 HB THR A 68 7.337 1.522 -6.007 1.00 1.26 H new ATOM 0 HG1 THR A 68 7.651 3.137 -4.603 1.00 2.52 H new ATOM 0 HG21 THR A 68 8.512 2.768 -7.839 1.00 1.58 H new ATOM 0 HG22 THR A 68 7.038 1.970 -8.437 1.00 1.58 H new ATOM 0 HG23 THR A 68 7.035 3.721 -8.119 1.00 1.58 H new ATOM 1005 N TYR A 69 4.153 0.888 -7.620 1.00 0.87 N ATOM 1006 CA TYR A 69 3.089 -0.094 -7.746 1.00 1.04 C ATOM 1007 C TYR A 69 3.625 -1.512 -7.856 1.00 0.95 C ATOM 1008 O TYR A 69 4.540 -1.782 -8.633 1.00 1.02 O ATOM 1009 CB TYR A 69 2.269 0.220 -9.005 1.00 1.06 C ATOM 1010 CG TYR A 69 3.034 0.313 -10.318 1.00 0.94 C ATOM 1011 CD1 TYR A 69 3.225 -0.833 -11.114 1.00 1.90 C ATOM 1012 CD2 TYR A 69 3.487 1.563 -10.786 1.00 1.97 C ATOM 1013 CE1 TYR A 69 3.869 -0.732 -12.358 1.00 1.94 C ATOM 1014 CE2 TYR A 69 4.173 1.654 -12.010 1.00 1.99 C ATOM 1015 CZ TYR A 69 4.364 0.504 -12.795 1.00 1.07 C ATOM 1016 OH TYR A 69 5.053 0.568 -13.969 1.00 1.29 O ATOM 0 H TYR A 69 4.314 1.422 -8.474 1.00 0.87 H new ATOM 0 HA TYR A 69 2.475 -0.035 -6.847 1.00 1.04 H new ATOM 0 HB2 TYR A 69 1.503 -0.548 -9.112 1.00 1.06 H new ATOM 0 HB3 TYR A 69 1.751 1.166 -8.846 1.00 1.06 H new ATOM 0 HD1 TYR A 69 2.875 -1.794 -10.766 1.00 1.90 H new ATOM 0 HD2 TYR A 69 3.307 2.454 -10.203 1.00 1.97 H new ATOM 0 HE1 TYR A 69 3.983 -1.608 -12.979 1.00 1.94 H new ATOM 0 HE2 TYR A 69 4.553 2.607 -12.347 1.00 1.99 H new ATOM 0 HH TYR A 69 5.330 1.493 -14.136 1.00 1.29 H new ATOM 1026 N THR A 70 3.072 -2.425 -7.054 1.00 0.85 N ATOM 1027 CA THR A 70 3.437 -3.833 -7.076 1.00 0.81 C ATOM 1028 C THR A 70 2.293 -4.688 -6.500 1.00 0.79 C ATOM 1029 O THR A 70 2.204 -4.827 -5.282 1.00 0.81 O ATOM 1030 CB THR A 70 4.736 -3.975 -6.245 1.00 0.91 C ATOM 1031 OG1 THR A 70 5.858 -3.434 -6.922 1.00 1.12 O ATOM 1032 CG2 THR A 70 5.125 -5.422 -5.909 1.00 1.07 C ATOM 0 H THR A 70 2.352 -2.200 -6.367 1.00 0.85 H new ATOM 0 HA THR A 70 3.607 -4.186 -8.093 1.00 0.81 H new ATOM 0 HB THR A 70 4.499 -3.435 -5.329 1.00 0.91 H new ATOM 0 HG1 THR A 70 5.554 -2.909 -7.692 1.00 1.12 H new ATOM 0 HG21 THR A 70 6.046 -5.425 -5.326 1.00 1.07 H new ATOM 0 HG22 THR A 70 4.328 -5.888 -5.330 1.00 1.07 H new ATOM 0 HG23 THR A 70 5.278 -5.981 -6.832 1.00 1.07 H new ATOM 1040 N ILE A 71 1.419 -5.267 -7.341 1.00 0.82 N ATOM 1041 CA ILE A 71 0.374 -6.199 -6.900 1.00 0.79 C ATOM 1042 C ILE A 71 0.174 -7.275 -7.975 1.00 0.79 C ATOM 1043 O ILE A 71 0.118 -6.924 -9.151 1.00 1.02 O ATOM 1044 CB ILE A 71 -0.947 -5.468 -6.548 1.00 0.84 C ATOM 1045 CG1 ILE A 71 -2.003 -5.371 -7.655 1.00 0.95 C ATOM 1046 CG2 ILE A 71 -0.718 -4.009 -6.118 1.00 1.00 C ATOM 1047 CD1 ILE A 71 -2.812 -6.621 -7.975 1.00 1.66 C ATOM 0 H ILE A 71 1.420 -5.100 -8.347 1.00 0.82 H new ATOM 0 HA ILE A 71 0.697 -6.682 -5.977 1.00 0.79 H new ATOM 0 HB ILE A 71 -1.319 -6.111 -5.751 1.00 0.84 H new ATOM 0 HG12 ILE A 71 -2.702 -4.580 -7.383 1.00 0.95 H new ATOM 0 HG13 ILE A 71 -1.502 -5.053 -8.569 1.00 0.95 H new ATOM 0 HG21 ILE A 71 -1.676 -3.544 -5.883 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -0.077 -3.986 -5.236 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -0.238 -3.462 -6.929 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -3.518 -6.402 -8.776 1.00 1.66 H new ATOM 0 HD12 ILE A 71 -2.140 -7.418 -8.291 1.00 1.66 H new ATOM 0 HD13 ILE A 71 -3.358 -6.938 -7.087 1.00 1.66 H new ATOM 1059 N ASP A 72 0.032 -8.549 -7.586 1.00 0.70 N ATOM 1060 CA ASP A 72 -0.265 -9.664 -8.488 1.00 0.75 C ATOM 1061 C ASP A 72 -1.734 -10.086 -8.333 1.00 0.84 C ATOM 1062 O ASP A 72 -2.089 -10.745 -7.353 1.00 1.12 O ATOM 1063 CB ASP A 72 0.661 -10.848 -8.185 1.00 0.87 C ATOM 1064 CG ASP A 72 1.989 -10.805 -8.917 1.00 2.17 C ATOM 1065 OD1 ASP A 72 2.969 -10.286 -8.337 1.00 3.52 O ATOM 1066 OD2 ASP A 72 1.988 -11.325 -10.054 1.00 3.01 O ATOM 0 H ASP A 72 0.123 -8.837 -6.612 1.00 0.70 H new ATOM 0 HA ASP A 72 -0.097 -9.343 -9.516 1.00 0.75 H new ATOM 0 HB2 ASP A 72 0.852 -10.880 -7.112 1.00 0.87 H new ATOM 0 HB3 ASP A 72 0.146 -11.773 -8.445 1.00 0.87 H new ATOM 1071 N PHE A 73 -2.575 -9.682 -9.295 1.00 0.83 N ATOM 1072 CA PHE A 73 -4.037 -9.725 -9.267 1.00 0.88 C ATOM 1073 C PHE A 73 -4.652 -10.904 -8.539 1.00 1.20 C ATOM 1074 O PHE A 73 -5.409 -10.674 -7.602 1.00 1.79 O ATOM 1075 CB PHE A 73 -4.606 -9.643 -10.685 1.00 0.98 C ATOM 1076 CG PHE A 73 -4.255 -8.347 -11.359 1.00 1.07 C ATOM 1077 CD1 PHE A 73 -3.308 -8.339 -12.391 1.00 2.47 C ATOM 1078 CD2 PHE A 73 -4.704 -7.139 -10.805 1.00 1.63 C ATOM 1079 CE1 PHE A 73 -2.806 -7.125 -12.872 1.00 2.88 C ATOM 1080 CE2 PHE A 73 -4.229 -5.923 -11.310 1.00 1.75 C ATOM 1081 CZ PHE A 73 -3.331 -5.915 -12.390 1.00 1.92 C ATOM 0 H PHE A 73 -2.225 -9.291 -10.170 1.00 0.83 H new ATOM 0 HA PHE A 73 -4.316 -8.850 -8.680 1.00 0.88 H new ATOM 0 HB2 PHE A 73 -4.224 -10.475 -11.277 1.00 0.98 H new ATOM 0 HB3 PHE A 73 -5.690 -9.750 -10.647 1.00 0.98 H new ATOM 0 HD1 PHE A 73 -2.965 -9.271 -12.816 1.00 2.47 H new ATOM 0 HD2 PHE A 73 -5.414 -7.147 -9.991 1.00 1.63 H new ATOM 0 HE1 PHE A 73 -2.018 -7.118 -13.611 1.00 2.88 H new ATOM 0 HE2 PHE A 73 -4.553 -4.992 -10.870 1.00 1.75 H new ATOM 0 HZ PHE A 73 -3.045 -4.980 -12.849 1.00 1.92 H new ATOM 1091 N ALA A 74 -4.352 -12.126 -8.982 1.00 1.15 N ATOM 1092 CA ALA A 74 -4.951 -13.383 -8.539 1.00 1.42 C ATOM 1093 C ALA A 74 -5.353 -13.323 -7.070 1.00 1.36 C ATOM 1094 O ALA A 74 -6.518 -13.480 -6.710 1.00 1.74 O ATOM 1095 CB ALA A 74 -3.924 -14.497 -8.756 1.00 1.61 C ATOM 0 H ALA A 74 -3.643 -12.272 -9.701 1.00 1.15 H new ATOM 0 HA ALA A 74 -5.857 -13.573 -9.114 1.00 1.42 H new ATOM 0 HB1 ALA A 74 -4.346 -15.449 -8.433 1.00 1.61 H new ATOM 0 HB2 ALA A 74 -3.667 -14.554 -9.814 1.00 1.61 H new ATOM 0 HB3 ALA A 74 -3.026 -14.282 -8.176 1.00 1.61 H new ATOM 1101 N ALA A 75 -4.351 -13.023 -6.245 1.00 1.14 N ATOM 1102 CA ALA A 75 -4.490 -12.893 -4.802 1.00 1.15 C ATOM 1103 C ALA A 75 -4.399 -11.424 -4.369 1.00 0.96 C ATOM 1104 O ALA A 75 -4.793 -11.078 -3.259 1.00 1.16 O ATOM 1105 CB ALA A 75 -3.426 -13.768 -4.132 1.00 1.20 C ATOM 0 H ALA A 75 -3.399 -12.860 -6.573 1.00 1.14 H new ATOM 0 HA ALA A 75 -5.475 -13.237 -4.487 1.00 1.15 H new ATOM 0 HB1 ALA A 75 -3.515 -13.683 -3.049 1.00 1.20 H new ATOM 0 HB2 ALA A 75 -3.570 -14.807 -4.428 1.00 1.20 H new ATOM 0 HB3 ALA A 75 -2.435 -13.437 -4.442 1.00 1.20 H new ATOM 1111 N LYS A 76 -3.856 -10.561 -5.238 1.00 0.77 N ATOM 1112 CA LYS A 76 -3.593 -9.159 -5.028 1.00 0.77 C ATOM 1113 C LYS A 76 -2.844 -8.882 -3.755 1.00 0.79 C ATOM 1114 O LYS A 76 -3.383 -8.495 -2.720 1.00 1.00 O ATOM 1115 CB LYS A 76 -4.803 -8.298 -5.272 1.00 0.90 C ATOM 1116 CG LYS A 76 -4.675 -6.891 -4.684 1.00 1.85 C ATOM 1117 CD LYS A 76 -5.531 -5.911 -5.474 1.00 2.18 C ATOM 1118 CE LYS A 76 -5.861 -4.672 -4.632 1.00 3.42 C ATOM 1119 NZ LYS A 76 -6.856 -4.967 -3.580 1.00 4.47 N ATOM 0 H LYS A 76 -3.574 -10.862 -6.171 1.00 0.77 H new ATOM 0 HA LYS A 76 -2.892 -8.849 -5.803 1.00 0.77 H new ATOM 0 HB2 LYS A 76 -4.975 -8.221 -6.346 1.00 0.90 H new ATOM 0 HB3 LYS A 76 -5.679 -8.785 -4.843 1.00 0.90 H new ATOM 0 HG2 LYS A 76 -4.985 -6.896 -3.639 1.00 1.85 H new ATOM 0 HG3 LYS A 76 -3.632 -6.574 -4.705 1.00 1.85 H new ATOM 0 HD2 LYS A 76 -5.005 -5.611 -6.380 1.00 2.18 H new ATOM 0 HD3 LYS A 76 -6.454 -6.399 -5.788 1.00 2.18 H new ATOM 0 HE2 LYS A 76 -4.949 -4.293 -4.172 1.00 3.42 H new ATOM 0 HE3 LYS A 76 -6.242 -3.884 -5.281 1.00 3.42 H new ATOM 0 HZ1 LYS A 76 -7.139 -4.082 -3.112 1.00 4.47 H new ATOM 0 HZ2 LYS A 76 -7.691 -5.415 -4.008 1.00 4.47 H new ATOM 0 HZ3 LYS A 76 -6.439 -5.611 -2.878 1.00 4.47 H new ATOM 1133 N GLN A 77 -1.535 -8.973 -3.915 1.00 0.73 N ATOM 1134 CA GLN A 77 -0.621 -8.689 -2.846 1.00 0.76 C ATOM 1135 C GLN A 77 -0.390 -7.183 -2.857 1.00 0.87 C ATOM 1136 O GLN A 77 0.700 -6.707 -3.157 1.00 1.60 O ATOM 1137 CB GLN A 77 0.665 -9.513 -2.961 1.00 1.03 C ATOM 1138 CG GLN A 77 0.440 -11.035 -2.947 1.00 1.48 C ATOM 1139 CD GLN A 77 0.228 -11.599 -4.355 1.00 1.12 C ATOM 1140 OE1 GLN A 77 -0.985 -11.472 -4.886 1.00 2.32 O flip ATOM 1141 NE2 GLN A 77 1.156 -12.113 -4.968 1.00 0.94 N flip ATOM 0 H GLN A 77 -1.087 -9.246 -4.790 1.00 0.73 H new ATOM 0 HA GLN A 77 -1.034 -8.983 -1.881 1.00 0.76 H new ATOM 0 HB2 GLN A 77 1.177 -9.241 -3.884 1.00 1.03 H new ATOM 0 HB3 GLN A 77 1.329 -9.247 -2.138 1.00 1.03 H new ATOM 0 HG2 GLN A 77 1.299 -11.524 -2.487 1.00 1.48 H new ATOM 0 HG3 GLN A 77 -0.428 -11.267 -2.330 1.00 1.48 H new ATOM 0 HE21 GLN A 77 2.074 -12.194 -4.530 1.00 0.94 H new ATOM 0 HE22 GLN A 77 1.011 -12.460 -5.916 1.00 0.94 H new ATOM 1150 N GLY A 78 -1.480 -6.448 -2.634 1.00 1.02 N ATOM 1151 CA GLY A 78 -1.579 -5.018 -2.831 1.00 1.27 C ATOM 1152 C GLY A 78 -0.567 -4.274 -1.981 1.00 1.02 C ATOM 1153 O GLY A 78 -0.842 -3.988 -0.818 1.00 1.19 O ATOM 0 H GLY A 78 -2.350 -6.859 -2.297 1.00 1.02 H new ATOM 0 HA2 GLY A 78 -1.418 -4.782 -3.883 1.00 1.27 H new ATOM 0 HA3 GLY A 78 -2.585 -4.683 -2.579 1.00 1.27 H new ATOM 1157 N ASN A 79 0.603 -3.977 -2.543 1.00 0.84 N ATOM 1158 CA ASN A 79 1.686 -3.312 -1.857 1.00 0.79 C ATOM 1159 C ASN A 79 2.274 -2.295 -2.832 1.00 1.17 C ATOM 1160 O ASN A 79 1.973 -2.295 -4.028 1.00 2.12 O ATOM 1161 CB ASN A 79 2.744 -4.362 -1.481 1.00 0.86 C ATOM 1162 CG ASN A 79 2.578 -5.056 -0.134 1.00 1.26 C ATOM 1163 OD1 ASN A 79 3.569 -5.581 0.349 1.00 2.61 O ATOM 1164 ND2 ASN A 79 1.410 -5.071 0.510 1.00 0.86 N ATOM 0 H ASN A 79 0.820 -4.202 -3.514 1.00 0.84 H new ATOM 0 HA ASN A 79 1.348 -2.813 -0.949 1.00 0.79 H new ATOM 0 HB2 ASN A 79 2.754 -5.127 -2.258 1.00 0.86 H new ATOM 0 HB3 ASN A 79 3.721 -3.879 -1.496 1.00 0.86 H new ATOM 0 HD21 ASN A 79 1.335 -5.526 1.420 1.00 0.86 H new ATOM 0 HD22 ASN A 79 0.592 -4.628 0.093 1.00 0.86 H new ATOM 1171 N GLY A 80 3.144 -1.432 -2.323 1.00 0.64 N ATOM 1172 CA GLY A 80 4.059 -0.677 -3.143 1.00 0.67 C ATOM 1173 C GLY A 80 5.225 -0.294 -2.251 1.00 0.63 C ATOM 1174 O GLY A 80 5.001 0.070 -1.101 1.00 0.79 O ATOM 0 H GLY A 80 3.229 -1.241 -1.325 1.00 0.64 H new ATOM 0 HA2 GLY A 80 4.399 -1.271 -3.992 1.00 0.67 H new ATOM 0 HA3 GLY A 80 3.574 0.211 -3.549 1.00 0.67 H new ATOM 1178 N LYS A 81 6.457 -0.409 -2.744 1.00 0.72 N ATOM 1179 CA LYS A 81 7.610 -0.023 -1.945 1.00 0.78 C ATOM 1180 C LYS A 81 7.711 1.498 -2.003 1.00 0.86 C ATOM 1181 O LYS A 81 7.644 2.083 -3.091 1.00 1.02 O ATOM 1182 CB LYS A 81 8.907 -0.730 -2.371 1.00 0.95 C ATOM 1183 CG LYS A 81 9.173 -0.805 -3.881 1.00 1.58 C ATOM 1184 CD LYS A 81 8.670 -2.137 -4.456 1.00 2.84 C ATOM 1185 CE LYS A 81 8.950 -2.222 -5.961 1.00 4.05 C ATOM 1186 NZ LYS A 81 8.495 -3.510 -6.519 1.00 5.86 N ATOM 0 H LYS A 81 6.677 -0.760 -3.676 1.00 0.72 H new ATOM 0 HA LYS A 81 7.470 -0.347 -0.914 1.00 0.78 H new ATOM 0 HB2 LYS A 81 9.747 -0.219 -1.900 1.00 0.95 H new ATOM 0 HB3 LYS A 81 8.890 -1.745 -1.975 1.00 0.95 H new ATOM 0 HG2 LYS A 81 8.676 0.025 -4.384 1.00 1.58 H new ATOM 0 HG3 LYS A 81 10.241 -0.701 -4.073 1.00 1.58 H new ATOM 0 HD2 LYS A 81 9.158 -2.966 -3.944 1.00 2.84 H new ATOM 0 HD3 LYS A 81 7.600 -2.235 -4.275 1.00 2.84 H new ATOM 0 HE2 LYS A 81 8.446 -1.403 -6.474 1.00 4.05 H new ATOM 0 HE3 LYS A 81 10.018 -2.102 -6.142 1.00 4.05 H new ATOM 0 HZ1 LYS A 81 9.146 -3.812 -7.271 1.00 5.86 H new ATOM 0 HZ2 LYS A 81 8.479 -4.228 -5.767 1.00 5.86 H new ATOM 0 HZ3 LYS A 81 7.539 -3.399 -6.913 1.00 5.86 H new ATOM 1200 N ILE A 82 7.813 2.130 -0.833 1.00 0.88 N ATOM 1201 CA ILE A 82 7.856 3.577 -0.713 1.00 1.06 C ATOM 1202 C ILE A 82 9.313 3.983 -0.517 1.00 0.95 C ATOM 1203 O ILE A 82 9.886 3.851 0.562 1.00 1.15 O ATOM 1204 CB ILE A 82 6.810 4.100 0.289 1.00 1.39 C ATOM 1205 CG1 ILE A 82 6.997 5.588 0.620 1.00 2.36 C ATOM 1206 CG2 ILE A 82 6.694 3.249 1.543 1.00 2.40 C ATOM 1207 CD1 ILE A 82 7.762 5.925 1.909 1.00 3.38 C ATOM 0 H ILE A 82 7.868 1.643 0.061 1.00 0.88 H new ATOM 0 HA ILE A 82 7.534 4.086 -1.622 1.00 1.06 H new ATOM 0 HB ILE A 82 5.854 4.008 -0.226 1.00 1.39 H new ATOM 0 HG12 ILE A 82 7.517 6.058 -0.215 1.00 2.36 H new ATOM 0 HG13 ILE A 82 6.011 6.048 0.681 1.00 2.36 H new ATOM 0 HG21 ILE A 82 5.939 3.676 2.204 1.00 2.40 H new ATOM 0 HG22 ILE A 82 6.404 2.235 1.269 1.00 2.40 H new ATOM 0 HG23 ILE A 82 7.655 3.226 2.057 1.00 2.40 H new ATOM 0 HD11 ILE A 82 7.823 7.007 2.024 1.00 3.38 H new ATOM 0 HD12 ILE A 82 7.239 5.498 2.765 1.00 3.38 H new ATOM 0 HD13 ILE A 82 8.768 5.509 1.854 1.00 3.38 H new ATOM 1219 N GLU A 83 9.918 4.392 -1.637 1.00 0.95 N ATOM 1220 CA GLU A 83 11.351 4.421 -1.829 1.00 1.01 C ATOM 1221 C GLU A 83 11.746 5.681 -2.606 1.00 1.33 C ATOM 1222 O GLU A 83 11.486 5.797 -3.809 1.00 1.89 O ATOM 1223 CB GLU A 83 11.769 3.125 -2.530 1.00 1.17 C ATOM 1224 CG GLU A 83 13.255 2.845 -2.309 1.00 1.26 C ATOM 1225 CD GLU A 83 13.602 1.438 -2.774 1.00 1.75 C ATOM 1226 OE1 GLU A 83 14.130 0.680 -1.931 1.00 2.62 O ATOM 1227 OE2 GLU A 83 13.275 1.119 -3.935 1.00 2.69 O ATOM 0 H GLU A 83 9.399 4.719 -2.452 1.00 0.95 H new ATOM 0 HA GLU A 83 11.878 4.471 -0.876 1.00 1.01 H new ATOM 0 HB2 GLU A 83 11.177 2.293 -2.149 1.00 1.17 H new ATOM 0 HB3 GLU A 83 11.563 3.201 -3.598 1.00 1.17 H new ATOM 0 HG2 GLU A 83 13.854 3.574 -2.854 1.00 1.26 H new ATOM 0 HG3 GLU A 83 13.500 2.957 -1.253 1.00 1.26 H new ATOM 1234 N HIS A 84 12.267 6.667 -1.872 1.00 1.19 N ATOM 1235 CA HIS A 84 13.129 7.750 -2.358 1.00 1.29 C ATOM 1236 C HIS A 84 13.924 8.491 -1.262 1.00 1.44 C ATOM 1237 O HIS A 84 14.695 9.390 -1.594 1.00 2.15 O ATOM 1238 CB HIS A 84 12.336 8.766 -3.185 1.00 1.56 C ATOM 1239 CG HIS A 84 11.335 9.535 -2.367 1.00 1.45 C ATOM 1240 ND1 HIS A 84 11.506 10.808 -1.870 1.00 2.72 N ATOM 1241 CD2 HIS A 84 10.128 9.072 -1.923 1.00 1.92 C ATOM 1242 CE1 HIS A 84 10.404 11.113 -1.163 1.00 3.84 C ATOM 1243 NE2 HIS A 84 9.537 10.088 -1.179 1.00 3.37 N ATOM 0 H HIS A 84 12.090 6.736 -0.870 1.00 1.19 H new ATOM 0 HA HIS A 84 13.865 7.245 -2.983 1.00 1.29 H new ATOM 0 HB2 HIS A 84 13.029 9.465 -3.653 1.00 1.56 H new ATOM 0 HB3 HIS A 84 11.817 8.245 -3.990 1.00 1.56 H new ATOM 0 HD1 HIS A 84 12.318 11.408 -2.012 1.00 2.72 H new ATOM 0 HD2 HIS A 84 9.709 8.095 -2.115 1.00 1.92 H new ATOM 0 HE1 HIS A 84 10.239 12.051 -0.654 1.00 3.84 H new ATOM 1251 N LEU A 85 13.653 8.271 0.030 1.00 1.03 N ATOM 1252 CA LEU A 85 14.004 9.208 1.074 1.00 1.19 C ATOM 1253 C LEU A 85 15.504 9.146 1.343 1.00 1.52 C ATOM 1254 O LEU A 85 16.103 8.071 1.340 1.00 1.70 O ATOM 1255 CB LEU A 85 13.156 8.956 2.335 1.00 1.06 C ATOM 1256 CG LEU A 85 11.676 9.311 2.115 1.00 1.15 C ATOM 1257 CD1 LEU A 85 10.867 8.215 1.406 1.00 1.92 C ATOM 1258 CD2 LEU A 85 10.936 9.646 3.413 1.00 1.25 C ATOM 0 H LEU A 85 13.182 7.432 0.369 1.00 1.03 H new ATOM 0 HA LEU A 85 13.777 10.223 0.749 1.00 1.19 H new ATOM 0 HB2 LEU A 85 13.238 7.908 2.624 1.00 1.06 H new ATOM 0 HB3 LEU A 85 13.551 9.546 3.162 1.00 1.06 H new ATOM 0 HG LEU A 85 11.734 10.191 1.474 1.00 1.15 H new ATOM 0 HD11 LEU A 85 9.834 8.543 1.289 1.00 1.92 H new ATOM 0 HD12 LEU A 85 11.299 8.021 0.424 1.00 1.92 H new ATOM 0 HD13 LEU A 85 10.892 7.302 2.001 1.00 1.92 H new ATOM 0 HD21 LEU A 85 9.897 9.887 3.188 1.00 1.25 H new ATOM 0 HD22 LEU A 85 10.972 8.788 4.084 1.00 1.25 H new ATOM 0 HD23 LEU A 85 11.411 10.502 3.892 1.00 1.25 H new ATOM 1270 N LYS A 86 16.096 10.323 1.568 1.00 1.95 N ATOM 1271 CA LYS A 86 17.535 10.532 1.618 1.00 2.45 C ATOM 1272 C LYS A 86 18.228 9.716 2.715 1.00 2.20 C ATOM 1273 O LYS A 86 19.431 9.484 2.637 1.00 2.60 O ATOM 1274 CB LYS A 86 17.847 12.036 1.705 1.00 3.10 C ATOM 1275 CG LYS A 86 16.949 12.890 2.619 1.00 3.15 C ATOM 1276 CD LYS A 86 16.856 12.343 4.049 1.00 3.23 C ATOM 1277 CE LYS A 86 16.487 13.390 5.111 1.00 3.46 C ATOM 1278 NZ LYS A 86 15.092 13.861 4.991 1.00 3.88 N ATOM 0 H LYS A 86 15.565 11.180 1.724 1.00 1.95 H new ATOM 0 HA LYS A 86 17.956 10.152 0.687 1.00 2.45 H new ATOM 0 HB2 LYS A 86 18.877 12.148 2.043 1.00 3.10 H new ATOM 0 HB3 LYS A 86 17.795 12.450 0.698 1.00 3.10 H new ATOM 0 HG2 LYS A 86 17.336 13.909 2.650 1.00 3.15 H new ATOM 0 HG3 LYS A 86 15.948 12.942 2.190 1.00 3.15 H new ATOM 0 HD2 LYS A 86 16.114 11.545 4.071 1.00 3.23 H new ATOM 0 HD3 LYS A 86 17.813 11.896 4.316 1.00 3.23 H new ATOM 0 HE2 LYS A 86 16.637 12.963 6.103 1.00 3.46 H new ATOM 0 HE3 LYS A 86 17.162 14.242 5.025 1.00 3.46 H new ATOM 0 HZ1 LYS A 86 14.898 14.565 5.732 1.00 3.88 H new ATOM 0 HZ2 LYS A 86 14.951 14.294 4.056 1.00 3.88 H new ATOM 0 HZ3 LYS A 86 14.443 13.056 5.101 1.00 3.88 H new ATOM 1292 N SER A 87 17.477 9.306 3.737 1.00 1.67 N ATOM 1293 CA SER A 87 17.976 8.486 4.832 1.00 1.47 C ATOM 1294 C SER A 87 17.427 7.075 4.609 1.00 1.18 C ATOM 1295 O SER A 87 16.204 6.944 4.549 1.00 0.95 O ATOM 1296 CB SER A 87 17.486 9.085 6.154 1.00 1.56 C ATOM 1297 OG SER A 87 17.925 10.427 6.277 1.00 2.02 O ATOM 0 H SER A 87 16.488 9.540 3.825 1.00 1.67 H new ATOM 0 HA SER A 87 19.065 8.452 4.869 1.00 1.47 H new ATOM 0 HB2 SER A 87 16.398 9.045 6.198 1.00 1.56 H new ATOM 0 HB3 SER A 87 17.861 8.494 6.990 1.00 1.56 H new ATOM 0 HG SER A 87 17.604 10.800 7.125 1.00 2.02 H new ATOM 1303 N PRO A 88 18.264 6.037 4.424 1.00 1.35 N ATOM 1304 CA PRO A 88 17.804 4.708 4.048 1.00 1.32 C ATOM 1305 C PRO A 88 16.614 4.238 4.890 1.00 1.25 C ATOM 1306 O PRO A 88 15.598 3.834 4.322 1.00 1.54 O ATOM 1307 CB PRO A 88 19.019 3.777 4.142 1.00 1.67 C ATOM 1308 CG PRO A 88 20.055 4.576 4.933 1.00 1.83 C ATOM 1309 CD PRO A 88 19.704 6.031 4.623 1.00 1.73 C ATOM 0 HA PRO A 88 17.416 4.709 3.029 1.00 1.32 H new ATOM 0 HB2 PRO A 88 18.766 2.845 4.648 1.00 1.67 H new ATOM 0 HB3 PRO A 88 19.393 3.512 3.153 1.00 1.67 H new ATOM 0 HG2 PRO A 88 19.991 4.368 6.001 1.00 1.83 H new ATOM 0 HG3 PRO A 88 21.071 4.334 4.621 1.00 1.83 H new ATOM 0 HD2 PRO A 88 19.992 6.690 5.443 1.00 1.73 H new ATOM 0 HD3 PRO A 88 20.227 6.382 3.733 1.00 1.73 H new ATOM 1317 N GLU A 89 16.711 4.360 6.219 1.00 1.17 N ATOM 1318 CA GLU A 89 15.693 3.947 7.182 1.00 1.25 C ATOM 1319 C GLU A 89 14.301 4.472 6.824 1.00 1.22 C ATOM 1320 O GLU A 89 13.297 3.811 7.078 1.00 1.55 O ATOM 1321 CB GLU A 89 16.043 4.381 8.620 1.00 1.43 C ATOM 1322 CG GLU A 89 17.534 4.588 8.926 1.00 1.88 C ATOM 1323 CD GLU A 89 17.982 5.986 8.516 1.00 2.48 C ATOM 1324 OE1 GLU A 89 17.828 6.913 9.337 1.00 2.76 O ATOM 1325 OE2 GLU A 89 18.410 6.111 7.349 1.00 3.63 O ATOM 0 H GLU A 89 17.533 4.765 6.666 1.00 1.17 H new ATOM 0 HA GLU A 89 15.676 2.858 7.135 1.00 1.25 H new ATOM 0 HB2 GLU A 89 15.518 5.312 8.834 1.00 1.43 H new ATOM 0 HB3 GLU A 89 15.654 3.630 9.308 1.00 1.43 H new ATOM 0 HG2 GLU A 89 17.715 4.441 9.991 1.00 1.88 H new ATOM 0 HG3 GLU A 89 18.126 3.842 8.396 1.00 1.88 H new ATOM 1332 N LEU A 90 14.245 5.688 6.278 1.00 1.14 N ATOM 1333 CA LEU A 90 13.000 6.389 6.011 1.00 1.18 C ATOM 1334 C LEU A 90 12.263 5.762 4.823 1.00 1.06 C ATOM 1335 O LEU A 90 11.076 6.023 4.639 1.00 1.30 O ATOM 1336 CB LEU A 90 13.289 7.878 5.760 1.00 1.32 C ATOM 1337 CG LEU A 90 13.606 8.735 6.999 1.00 1.86 C ATOM 1338 CD1 LEU A 90 12.308 9.154 7.694 1.00 1.87 C ATOM 1339 CD2 LEU A 90 14.536 8.066 8.021 1.00 2.59 C ATOM 0 H LEU A 90 15.076 6.215 6.008 1.00 1.14 H new ATOM 0 HA LEU A 90 12.350 6.300 6.882 1.00 1.18 H new ATOM 0 HB2 LEU A 90 14.130 7.951 5.071 1.00 1.32 H new ATOM 0 HB3 LEU A 90 12.426 8.313 5.256 1.00 1.32 H new ATOM 0 HG LEU A 90 14.146 9.602 6.619 1.00 1.86 H new ATOM 0 HD11 LEU A 90 12.543 9.760 8.569 1.00 1.87 H new ATOM 0 HD12 LEU A 90 11.697 9.735 7.004 1.00 1.87 H new ATOM 0 HD13 LEU A 90 11.758 8.265 8.005 1.00 1.87 H new ATOM 0 HD21 LEU A 90 14.703 8.743 8.859 1.00 2.59 H new ATOM 0 HD22 LEU A 90 14.077 7.146 8.384 1.00 2.59 H new ATOM 0 HD23 LEU A 90 15.490 7.833 7.547 1.00 2.59 H new ATOM 1351 N ASN A 91 12.942 4.954 4.002 1.00 0.84 N ATOM 1352 CA ASN A 91 12.301 4.242 2.915 1.00 0.86 C ATOM 1353 C ASN A 91 11.584 3.058 3.537 1.00 0.85 C ATOM 1354 O ASN A 91 12.168 2.349 4.354 1.00 1.31 O ATOM 1355 CB ASN A 91 13.340 3.798 1.883 1.00 1.04 C ATOM 1356 CG ASN A 91 14.043 5.018 1.308 1.00 1.15 C ATOM 1357 OD1 ASN A 91 13.589 5.593 0.324 1.00 2.10 O ATOM 1358 ND2 ASN A 91 15.115 5.466 1.954 1.00 0.95 N ATOM 0 H ASN A 91 13.944 4.782 4.079 1.00 0.84 H new ATOM 0 HA ASN A 91 11.591 4.876 2.384 1.00 0.86 H new ATOM 0 HB2 ASN A 91 14.067 3.132 2.348 1.00 1.04 H new ATOM 0 HB3 ASN A 91 12.857 3.235 1.085 1.00 1.04 H new ATOM 0 HD21 ASN A 91 15.586 6.312 1.635 1.00 0.95 H new ATOM 0 HD22 ASN A 91 15.466 4.963 2.769 1.00 0.95 H new ATOM 1365 N VAL A 92 10.310 2.881 3.192 1.00 0.86 N ATOM 1366 CA VAL A 92 9.465 1.872 3.801 1.00 0.77 C ATOM 1367 C VAL A 92 9.114 0.819 2.756 1.00 0.71 C ATOM 1368 O VAL A 92 8.869 1.135 1.590 1.00 0.76 O ATOM 1369 CB VAL A 92 8.255 2.531 4.499 1.00 0.73 C ATOM 1370 CG1 VAL A 92 7.027 1.618 4.589 1.00 0.95 C ATOM 1371 CG2 VAL A 92 8.630 2.941 5.918 1.00 0.95 C ATOM 0 H VAL A 92 9.839 3.438 2.479 1.00 0.86 H new ATOM 0 HA VAL A 92 9.990 1.346 4.598 1.00 0.77 H new ATOM 0 HB VAL A 92 7.994 3.392 3.884 1.00 0.73 H new ATOM 0 HG11 VAL A 92 6.217 2.147 5.091 1.00 0.95 H new ATOM 0 HG12 VAL A 92 6.709 1.335 3.585 1.00 0.95 H new ATOM 0 HG13 VAL A 92 7.281 0.722 5.155 1.00 0.95 H new ATOM 0 HG21 VAL A 92 7.770 3.405 6.402 1.00 0.95 H new ATOM 0 HG22 VAL A 92 8.933 2.060 6.483 1.00 0.95 H new ATOM 0 HG23 VAL A 92 9.455 3.652 5.885 1.00 0.95 H new ATOM 1381 N ASP A 93 9.075 -0.441 3.188 1.00 0.81 N ATOM 1382 CA ASP A 93 8.607 -1.545 2.369 1.00 0.74 C ATOM 1383 C ASP A 93 7.454 -2.199 3.116 1.00 0.71 C ATOM 1384 O ASP A 93 7.423 -2.189 4.347 1.00 0.74 O ATOM 1385 CB ASP A 93 9.733 -2.552 2.122 1.00 0.71 C ATOM 1386 CG ASP A 93 10.831 -1.965 1.258 1.00 1.49 C ATOM 1387 OD1 ASP A 93 11.795 -1.397 1.818 1.00 3.04 O ATOM 1388 OD2 ASP A 93 10.739 -2.089 0.015 1.00 1.93 O ATOM 0 H ASP A 93 9.371 -0.720 4.123 1.00 0.81 H new ATOM 0 HA ASP A 93 8.279 -1.187 1.393 1.00 0.74 H new ATOM 0 HB2 ASP A 93 10.152 -2.870 3.076 1.00 0.71 H new ATOM 0 HB3 ASP A 93 9.327 -3.441 1.640 1.00 0.71 H new ATOM 1393 N LEU A 94 6.488 -2.718 2.364 1.00 0.80 N ATOM 1394 CA LEU A 94 5.247 -3.271 2.887 1.00 0.90 C ATOM 1395 C LEU A 94 5.275 -4.797 2.739 1.00 0.94 C ATOM 1396 O LEU A 94 6.033 -5.320 1.921 1.00 1.09 O ATOM 1397 CB LEU A 94 4.053 -2.651 2.144 1.00 1.12 C ATOM 1398 CG LEU A 94 4.184 -1.145 1.846 1.00 0.83 C ATOM 1399 CD1 LEU A 94 2.894 -0.639 1.201 1.00 1.14 C ATOM 1400 CD2 LEU A 94 4.421 -0.276 3.076 1.00 1.63 C ATOM 0 H LEU A 94 6.550 -2.766 1.347 1.00 0.80 H new ATOM 0 HA LEU A 94 5.141 -3.032 3.945 1.00 0.90 H new ATOM 0 HB2 LEU A 94 3.915 -3.182 1.202 1.00 1.12 H new ATOM 0 HB3 LEU A 94 3.152 -2.812 2.736 1.00 1.12 H new ATOM 0 HG LEU A 94 5.054 -1.059 1.195 1.00 0.83 H new ATOM 0 HD11 LEU A 94 2.986 0.426 0.990 1.00 1.14 H new ATOM 0 HD12 LEU A 94 2.716 -1.179 0.271 1.00 1.14 H new ATOM 0 HD13 LEU A 94 2.058 -0.803 1.881 1.00 1.14 H new ATOM 0 HD21 LEU A 94 4.501 0.768 2.774 1.00 1.63 H new ATOM 0 HD22 LEU A 94 3.587 -0.391 3.769 1.00 1.63 H new ATOM 0 HD23 LEU A 94 5.345 -0.583 3.566 1.00 1.63 H new ATOM 1412 N ALA A 95 4.468 -5.509 3.530 1.00 1.09 N ATOM 1413 CA ALA A 95 4.354 -6.959 3.466 1.00 1.24 C ATOM 1414 C ALA A 95 3.262 -7.369 2.476 1.00 1.13 C ATOM 1415 O ALA A 95 2.130 -6.875 2.537 1.00 1.30 O ATOM 1416 CB ALA A 95 4.054 -7.526 4.853 1.00 1.48 C ATOM 0 H ALA A 95 3.870 -5.085 4.240 1.00 1.09 H new ATOM 0 HA ALA A 95 5.303 -7.366 3.118 1.00 1.24 H new ATOM 0 HB1 ALA A 95 3.971 -8.611 4.792 1.00 1.48 H new ATOM 0 HB2 ALA A 95 4.861 -7.261 5.537 1.00 1.48 H new ATOM 0 HB3 ALA A 95 3.116 -7.110 5.221 1.00 1.48 H new ATOM 1422 N ALA A 96 3.604 -8.303 1.583 1.00 0.95 N ATOM 1423 CA ALA A 96 2.808 -8.742 0.444 1.00 0.81 C ATOM 1424 C ALA A 96 1.676 -9.678 0.876 1.00 0.88 C ATOM 1425 O ALA A 96 1.614 -10.844 0.498 1.00 1.95 O ATOM 1426 CB ALA A 96 3.761 -9.431 -0.533 1.00 0.93 C ATOM 0 H ALA A 96 4.494 -8.797 1.643 1.00 0.95 H new ATOM 0 HA ALA A 96 2.325 -7.889 -0.032 1.00 0.81 H new ATOM 0 HB1 ALA A 96 3.203 -9.776 -1.403 1.00 0.93 H new ATOM 0 HB2 ALA A 96 4.529 -8.726 -0.851 1.00 0.93 H new ATOM 0 HB3 ALA A 96 4.231 -10.283 -0.042 1.00 0.93 H new ATOM 1432 N ALA A 97 0.769 -9.112 1.663 1.00 0.77 N ATOM 1433 CA ALA A 97 -0.454 -9.727 2.157 1.00 0.68 C ATOM 1434 C ALA A 97 -1.543 -9.619 1.088 1.00 0.60 C ATOM 1435 O ALA A 97 -1.598 -8.622 0.369 1.00 1.00 O ATOM 1436 CB ALA A 97 -0.876 -9.020 3.447 1.00 1.10 C ATOM 0 H ALA A 97 0.876 -8.153 1.993 1.00 0.77 H new ATOM 0 HA ALA A 97 -0.291 -10.783 2.373 1.00 0.68 H new ATOM 0 HB1 ALA A 97 -1.792 -9.472 3.827 1.00 1.10 H new ATOM 0 HB2 ALA A 97 -0.086 -9.120 4.192 1.00 1.10 H new ATOM 0 HB3 ALA A 97 -1.051 -7.964 3.243 1.00 1.10 H new ATOM 1442 N ASP A 98 -2.386 -10.646 0.976 1.00 0.63 N ATOM 1443 CA ASP A 98 -3.374 -10.816 -0.082 1.00 0.80 C ATOM 1444 C ASP A 98 -4.759 -10.326 0.351 1.00 0.87 C ATOM 1445 O ASP A 98 -4.954 -9.909 1.493 1.00 1.15 O ATOM 1446 CB ASP A 98 -3.417 -12.296 -0.473 1.00 1.34 C ATOM 1447 CG ASP A 98 -4.022 -13.152 0.625 1.00 2.03 C ATOM 1448 OD1 ASP A 98 -3.490 -13.065 1.754 1.00 2.76 O ATOM 1449 OD2 ASP A 98 -5.005 -13.856 0.306 1.00 3.09 O ATOM 0 H ASP A 98 -2.397 -11.412 1.649 1.00 0.63 H new ATOM 0 HA ASP A 98 -3.084 -10.212 -0.941 1.00 0.80 H new ATOM 0 HB2 ASP A 98 -3.998 -12.414 -1.387 1.00 1.34 H new ATOM 0 HB3 ASP A 98 -2.407 -12.644 -0.690 1.00 1.34 H new ATOM 1454 N ILE A 99 -5.723 -10.358 -0.578 1.00 0.90 N ATOM 1455 CA ILE A 99 -7.104 -9.965 -0.369 1.00 1.01 C ATOM 1456 C ILE A 99 -8.011 -11.178 -0.579 1.00 1.23 C ATOM 1457 O ILE A 99 -8.490 -11.427 -1.683 1.00 1.72 O ATOM 1458 CB ILE A 99 -7.437 -8.769 -1.278 1.00 0.98 C ATOM 1459 CG1 ILE A 99 -8.938 -8.500 -1.353 1.00 0.97 C ATOM 1460 CG2 ILE A 99 -6.903 -8.883 -2.702 1.00 1.35 C ATOM 1461 CD1 ILE A 99 -9.150 -6.987 -1.342 1.00 1.05 C ATOM 0 H ILE A 99 -5.545 -10.673 -1.532 1.00 0.90 H new ATOM 0 HA ILE A 99 -7.271 -9.628 0.654 1.00 1.01 H new ATOM 0 HB ILE A 99 -6.924 -7.937 -0.795 1.00 0.98 H new ATOM 0 HG12 ILE A 99 -9.358 -8.937 -2.259 1.00 0.97 H new ATOM 0 HG13 ILE A 99 -9.450 -8.962 -0.509 1.00 0.97 H new ATOM 0 HG21 ILE A 99 -7.186 -7.996 -3.269 1.00 1.35 H new ATOM 0 HG22 ILE A 99 -5.817 -8.967 -2.678 1.00 1.35 H new ATOM 0 HG23 ILE A 99 -7.325 -9.768 -3.179 1.00 1.35 H new ATOM 0 HD11 ILE A 99 -10.217 -6.769 -1.395 1.00 1.05 H new ATOM 0 HD12 ILE A 99 -8.739 -6.569 -0.423 1.00 1.05 H new ATOM 0 HD13 ILE A 99 -8.646 -6.543 -2.200 1.00 1.05 H new ATOM 1473 N LYS A 100 -8.257 -11.923 0.501 1.00 1.33 N ATOM 1474 CA LYS A 100 -9.077 -13.114 0.518 1.00 1.65 C ATOM 1475 C LYS A 100 -10.332 -12.937 1.392 1.00 1.55 C ATOM 1476 O LYS A 100 -11.394 -13.405 0.985 1.00 2.65 O ATOM 1477 CB LYS A 100 -8.147 -14.292 0.854 1.00 2.71 C ATOM 1478 CG LYS A 100 -8.781 -15.678 0.910 1.00 4.08 C ATOM 1479 CD LYS A 100 -9.349 -15.972 2.297 1.00 4.59 C ATOM 1480 CE LYS A 100 -9.998 -17.368 2.293 1.00 5.97 C ATOM 1481 NZ LYS A 100 -11.241 -17.411 1.494 1.00 6.98 N ATOM 0 H LYS A 100 -7.871 -11.696 1.417 1.00 1.33 H new ATOM 0 HA LYS A 100 -9.524 -13.330 -0.452 1.00 1.65 H new ATOM 0 HB2 LYS A 100 -7.347 -14.315 0.114 1.00 2.71 H new ATOM 0 HB3 LYS A 100 -7.682 -14.092 1.819 1.00 2.71 H new ATOM 0 HG2 LYS A 100 -9.576 -15.747 0.167 1.00 4.08 H new ATOM 0 HG3 LYS A 100 -8.037 -16.432 0.652 1.00 4.08 H new ATOM 0 HD2 LYS A 100 -8.557 -15.928 3.044 1.00 4.59 H new ATOM 0 HD3 LYS A 100 -10.086 -15.216 2.569 1.00 4.59 H new ATOM 0 HE2 LYS A 100 -9.289 -18.094 1.895 1.00 5.97 H new ATOM 0 HE3 LYS A 100 -10.218 -17.666 3.318 1.00 5.97 H new ATOM 0 HZ1 LYS A 100 -11.736 -18.308 1.671 1.00 6.98 H new ATOM 0 HZ2 LYS A 100 -11.855 -16.617 1.765 1.00 6.98 H new ATOM 0 HZ3 LYS A 100 -11.007 -17.338 0.483 1.00 6.98 H new ATOM 1495 N PRO A 101 -10.271 -12.315 2.586 1.00 1.71 N ATOM 1496 CA PRO A 101 -11.459 -12.098 3.407 1.00 2.42 C ATOM 1497 C PRO A 101 -12.419 -11.044 2.835 1.00 1.59 C ATOM 1498 O PRO A 101 -12.057 -10.275 1.946 1.00 2.70 O ATOM 1499 CB PRO A 101 -10.943 -11.631 4.776 1.00 4.00 C ATOM 1500 CG PRO A 101 -9.486 -12.084 4.802 1.00 4.07 C ATOM 1501 CD PRO A 101 -9.080 -11.949 3.338 1.00 2.78 C ATOM 0 HA PRO A 101 -12.035 -13.022 3.454 1.00 2.42 H new ATOM 0 HB2 PRO A 101 -11.026 -10.550 4.885 1.00 4.00 H new ATOM 0 HB3 PRO A 101 -11.514 -12.078 5.590 1.00 4.00 H new ATOM 0 HG2 PRO A 101 -8.876 -11.457 5.453 1.00 4.07 H new ATOM 0 HG3 PRO A 101 -9.385 -13.109 5.160 1.00 4.07 H new ATOM 0 HD2 PRO A 101 -8.764 -10.932 3.107 1.00 2.78 H new ATOM 0 HD3 PRO A 101 -8.243 -12.605 3.098 1.00 2.78 H new ATOM 1509 N ASP A 102 -13.609 -10.966 3.447 1.00 1.97 N ATOM 1510 CA ASP A 102 -14.574 -9.872 3.324 1.00 1.92 C ATOM 1511 C ASP A 102 -15.223 -9.806 1.927 1.00 1.55 C ATOM 1512 O ASP A 102 -15.083 -10.735 1.136 1.00 2.80 O ATOM 1513 CB ASP A 102 -13.926 -8.558 3.800 1.00 2.68 C ATOM 1514 CG ASP A 102 -14.916 -7.596 4.436 1.00 4.08 C ATOM 1515 OD1 ASP A 102 -15.803 -7.097 3.714 1.00 4.76 O ATOM 1516 OD2 ASP A 102 -14.813 -7.359 5.659 1.00 5.25 O ATOM 0 H ASP A 102 -13.938 -11.702 4.072 1.00 1.97 H new ATOM 0 HA ASP A 102 -15.421 -10.063 3.983 1.00 1.92 H new ATOM 0 HB2 ASP A 102 -13.140 -8.788 4.519 1.00 2.68 H new ATOM 0 HB3 ASP A 102 -13.448 -8.068 2.952 1.00 2.68 H new ATOM 1521 N GLY A 103 -15.990 -8.750 1.636 1.00 1.71 N ATOM 1522 CA GLY A 103 -16.771 -8.615 0.411 1.00 2.22 C ATOM 1523 C GLY A 103 -17.919 -7.618 0.599 1.00 2.02 C ATOM 1524 O GLY A 103 -19.073 -8.017 0.740 1.00 3.01 O ATOM 0 H GLY A 103 -16.084 -7.950 2.262 1.00 1.71 H new ATOM 0 HA2 GLY A 103 -16.125 -8.282 -0.402 1.00 2.22 H new ATOM 0 HA3 GLY A 103 -17.172 -9.587 0.122 1.00 2.22 H new ATOM 1528 N LYS A 104 -17.597 -6.319 0.629 1.00 2.07 N ATOM 1529 CA LYS A 104 -18.551 -5.228 0.876 1.00 2.70 C ATOM 1530 C LYS A 104 -18.554 -4.197 -0.253 1.00 3.24 C ATOM 1531 O LYS A 104 -19.599 -3.642 -0.602 1.00 4.32 O ATOM 1532 CB LYS A 104 -18.183 -4.540 2.195 1.00 2.90 C ATOM 1533 CG LYS A 104 -18.512 -5.465 3.368 1.00 3.91 C ATOM 1534 CD LYS A 104 -17.808 -4.998 4.648 1.00 4.63 C ATOM 1535 CE LYS A 104 -17.994 -6.035 5.768 1.00 5.63 C ATOM 1536 NZ LYS A 104 -16.836 -6.068 6.683 1.00 6.70 N ATOM 0 H LYS A 104 -16.644 -5.988 0.479 1.00 2.07 H new ATOM 0 HA LYS A 104 -19.551 -5.658 0.928 1.00 2.70 H new ATOM 0 HB2 LYS A 104 -17.122 -4.290 2.203 1.00 2.90 H new ATOM 0 HB3 LYS A 104 -18.731 -3.603 2.293 1.00 2.90 H new ATOM 0 HG2 LYS A 104 -19.590 -5.486 3.528 1.00 3.91 H new ATOM 0 HG3 LYS A 104 -18.205 -6.483 3.130 1.00 3.91 H new ATOM 0 HD2 LYS A 104 -16.746 -4.849 4.453 1.00 4.63 H new ATOM 0 HD3 LYS A 104 -18.212 -4.036 4.963 1.00 4.63 H new ATOM 0 HE2 LYS A 104 -18.897 -5.802 6.333 1.00 5.63 H new ATOM 0 HE3 LYS A 104 -18.138 -7.022 5.329 1.00 5.63 H new ATOM 0 HZ1 LYS A 104 -17.162 -6.277 7.648 1.00 6.70 H new ATOM 0 HZ2 LYS A 104 -16.171 -6.806 6.375 1.00 6.70 H new ATOM 0 HZ3 LYS A 104 -16.358 -5.144 6.672 1.00 6.70 H new ATOM 1550 N ARG A 105 -17.364 -3.876 -0.759 1.00 3.32 N ATOM 1551 CA ARG A 105 -17.112 -3.025 -1.910 1.00 3.79 C ATOM 1552 C ARG A 105 -15.607 -2.977 -2.067 1.00 3.45 C ATOM 1553 O ARG A 105 -14.915 -2.224 -1.387 1.00 4.57 O ATOM 1554 CB ARG A 105 -17.727 -1.613 -1.878 1.00 4.45 C ATOM 1555 CG ARG A 105 -17.916 -0.971 -0.493 1.00 6.13 C ATOM 1556 CD ARG A 105 -19.093 0.014 -0.536 1.00 6.82 C ATOM 1557 NE ARG A 105 -19.673 0.239 0.797 1.00 8.48 N ATOM 1558 CZ ARG A 105 -20.568 -0.571 1.390 1.00 9.19 C ATOM 1559 NH1 ARG A 105 -20.850 -1.778 0.880 1.00 8.73 N ATOM 1560 NH2 ARG A 105 -21.186 -0.164 2.505 1.00 10.85 N ATOM 0 H ARG A 105 -16.500 -4.228 -0.347 1.00 3.32 H new ATOM 0 HA ARG A 105 -17.622 -3.464 -2.768 1.00 3.79 H new ATOM 0 HB2 ARG A 105 -17.096 -0.954 -2.475 1.00 4.45 H new ATOM 0 HB3 ARG A 105 -18.699 -1.655 -2.369 1.00 4.45 H new ATOM 0 HG2 ARG A 105 -18.102 -1.743 0.254 1.00 6.13 H new ATOM 0 HG3 ARG A 105 -17.005 -0.452 -0.195 1.00 6.13 H new ATOM 0 HD2 ARG A 105 -18.755 0.964 -0.949 1.00 6.82 H new ATOM 0 HD3 ARG A 105 -19.862 -0.370 -1.206 1.00 6.82 H new ATOM 0 HE ARG A 105 -19.375 1.069 1.309 1.00 8.48 H new ATOM 0 HH11 ARG A 105 -20.383 -2.094 0.030 1.00 8.73 H new ATOM 0 HH12 ARG A 105 -21.531 -2.380 1.342 1.00 8.73 H new ATOM 0 HH21 ARG A 105 -20.977 0.754 2.898 1.00 10.85 H new ATOM 0 HH22 ARG A 105 -21.866 -0.771 2.962 1.00 10.85 H new ATOM 1574 N HIS A 106 -15.124 -3.876 -2.911 1.00 2.58 N ATOM 1575 CA HIS A 106 -13.733 -4.159 -3.170 1.00 2.45 C ATOM 1576 C HIS A 106 -12.997 -4.814 -2.000 1.00 1.56 C ATOM 1577 O HIS A 106 -12.324 -5.817 -2.204 1.00 2.82 O ATOM 1578 CB HIS A 106 -12.976 -2.990 -3.800 1.00 3.29 C ATOM 1579 CG HIS A 106 -13.669 -2.376 -4.995 1.00 4.75 C ATOM 1580 ND1 HIS A 106 -13.504 -2.711 -6.326 1.00 5.80 N ATOM 1581 CD2 HIS A 106 -14.601 -1.374 -4.941 1.00 6.17 C ATOM 1582 CE1 HIS A 106 -14.341 -1.942 -7.037 1.00 7.48 C ATOM 1583 NE2 HIS A 106 -15.012 -1.087 -6.247 1.00 7.69 N ATOM 0 H HIS A 106 -15.743 -4.465 -3.469 1.00 2.58 H new ATOM 0 HA HIS A 106 -13.751 -4.930 -3.940 1.00 2.45 H new ATOM 0 HB2 HIS A 106 -12.827 -2.219 -3.044 1.00 3.29 H new ATOM 0 HB3 HIS A 106 -11.987 -3.333 -4.104 1.00 3.29 H new ATOM 0 HD1 HIS A 106 -12.864 -3.413 -6.698 1.00 5.80 H new ATOM 0 HD2 HIS A 106 -14.957 -0.889 -4.044 1.00 6.17 H new ATOM 0 HE1 HIS A 106 -14.461 -2.002 -8.109 1.00 7.48 H new ATOM 1591 N ALA A 107 -13.148 -4.279 -0.786 1.00 1.25 N ATOM 1592 CA ALA A 107 -12.517 -4.783 0.429 1.00 1.53 C ATOM 1593 C ALA A 107 -11.008 -4.513 0.431 1.00 1.46 C ATOM 1594 O ALA A 107 -10.491 -3.824 -0.450 1.00 1.95 O ATOM 1595 CB ALA A 107 -12.869 -6.255 0.686 1.00 2.74 C ATOM 0 H ALA A 107 -13.731 -3.459 -0.620 1.00 1.25 H new ATOM 0 HA ALA A 107 -12.927 -4.228 1.273 1.00 1.53 H new ATOM 0 HB1 ALA A 107 -12.379 -6.592 1.600 1.00 2.74 H new ATOM 0 HB2 ALA A 107 -13.949 -6.357 0.794 1.00 2.74 H new ATOM 0 HB3 ALA A 107 -12.529 -6.862 -0.153 1.00 2.74 H new ATOM 1601 N VAL A 108 -10.317 -4.989 1.473 1.00 1.15 N ATOM 1602 CA VAL A 108 -9.002 -4.498 1.857 1.00 0.98 C ATOM 1603 C VAL A 108 -8.060 -5.612 2.296 1.00 1.02 C ATOM 1604 O VAL A 108 -8.477 -6.727 2.603 1.00 1.17 O ATOM 1605 CB VAL A 108 -9.130 -3.478 3.001 1.00 0.87 C ATOM 1606 CG1 VAL A 108 -9.621 -2.134 2.479 1.00 1.17 C ATOM 1607 CG2 VAL A 108 -10.029 -3.986 4.137 1.00 0.97 C ATOM 0 H VAL A 108 -10.665 -5.734 2.076 1.00 1.15 H new ATOM 0 HA VAL A 108 -8.576 -4.030 0.970 1.00 0.98 H new ATOM 0 HB VAL A 108 -8.133 -3.343 3.420 1.00 0.87 H new ATOM 0 HG11 VAL A 108 -9.703 -1.430 3.307 1.00 1.17 H new ATOM 0 HG12 VAL A 108 -8.914 -1.749 1.744 1.00 1.17 H new ATOM 0 HG13 VAL A 108 -10.598 -2.260 2.012 1.00 1.17 H new ATOM 0 HG21 VAL A 108 -10.088 -3.230 4.920 1.00 0.97 H new ATOM 0 HG22 VAL A 108 -11.028 -4.185 3.749 1.00 0.97 H new ATOM 0 HG23 VAL A 108 -9.611 -4.904 4.549 1.00 0.97 H new ATOM 1617 N ILE A 109 -6.779 -5.245 2.342 1.00 1.07 N ATOM 1618 CA ILE A 109 -5.651 -6.020 2.821 1.00 1.09 C ATOM 1619 C ILE A 109 -5.322 -5.568 4.251 1.00 1.09 C ATOM 1620 O ILE A 109 -5.909 -4.603 4.742 1.00 1.40 O ATOM 1621 CB ILE A 109 -4.490 -5.803 1.823 1.00 1.14 C ATOM 1622 CG1 ILE A 109 -4.916 -6.323 0.444 1.00 1.98 C ATOM 1623 CG2 ILE A 109 -3.154 -6.437 2.245 1.00 2.20 C ATOM 1624 CD1 ILE A 109 -3.939 -5.920 -0.652 1.00 2.37 C ATOM 0 H ILE A 109 -6.488 -4.323 2.017 1.00 1.07 H new ATOM 0 HA ILE A 109 -5.857 -7.089 2.870 1.00 1.09 H new ATOM 0 HB ILE A 109 -4.298 -4.730 1.798 1.00 1.14 H new ATOM 0 HG12 ILE A 109 -4.995 -7.410 0.476 1.00 1.98 H new ATOM 0 HG13 ILE A 109 -5.907 -5.939 0.203 1.00 1.98 H new ATOM 0 HG21 ILE A 109 -2.399 -6.234 1.486 1.00 2.20 H new ATOM 0 HG22 ILE A 109 -2.835 -6.013 3.197 1.00 2.20 H new ATOM 0 HG23 ILE A 109 -3.280 -7.514 2.352 1.00 2.20 H new ATOM 0 HD11 ILE A 109 -4.284 -6.312 -1.609 1.00 2.37 H new ATOM 0 HD12 ILE A 109 -3.880 -4.833 -0.705 1.00 2.37 H new ATOM 0 HD13 ILE A 109 -2.953 -6.327 -0.428 1.00 2.37 H new ATOM 1636 N SER A 110 -4.382 -6.240 4.920 1.00 0.95 N ATOM 1637 CA SER A 110 -3.949 -5.930 6.276 1.00 0.99 C ATOM 1638 C SER A 110 -2.489 -6.370 6.463 1.00 1.05 C ATOM 1639 O SER A 110 -2.198 -7.261 7.259 1.00 1.52 O ATOM 1640 CB SER A 110 -4.910 -6.604 7.266 1.00 1.04 C ATOM 1641 OG SER A 110 -5.235 -7.916 6.836 1.00 2.34 O ATOM 0 H SER A 110 -3.890 -7.037 4.517 1.00 0.95 H new ATOM 0 HA SER A 110 -3.980 -4.857 6.464 1.00 0.99 H new ATOM 0 HB2 SER A 110 -4.453 -6.643 8.255 1.00 1.04 H new ATOM 0 HB3 SER A 110 -5.820 -6.011 7.359 1.00 1.04 H new ATOM 0 HG SER A 110 -5.847 -8.329 7.481 1.00 2.34 H new ATOM 1647 N GLY A 111 -1.560 -5.769 5.711 1.00 0.82 N ATOM 1648 CA GLY A 111 -0.152 -6.150 5.761 1.00 0.90 C ATOM 1649 C GLY A 111 0.607 -5.406 6.869 1.00 0.78 C ATOM 1650 O GLY A 111 0.169 -4.356 7.336 1.00 0.74 O ATOM 0 H GLY A 111 -1.764 -5.013 5.058 1.00 0.82 H new ATOM 0 HA2 GLY A 111 -0.073 -7.225 5.926 1.00 0.90 H new ATOM 0 HA3 GLY A 111 0.315 -5.940 4.798 1.00 0.90 H new ATOM 1654 N SER A 112 1.758 -5.946 7.284 1.00 0.93 N ATOM 1655 CA SER A 112 2.740 -5.245 8.113 1.00 0.78 C ATOM 1656 C SER A 112 3.671 -4.422 7.214 1.00 0.61 C ATOM 1657 O SER A 112 3.661 -4.623 5.999 1.00 0.68 O ATOM 1658 CB SER A 112 3.512 -6.267 8.953 1.00 0.89 C ATOM 1659 OG SER A 112 2.594 -6.970 9.771 1.00 1.58 O ATOM 0 H SER A 112 2.036 -6.899 7.048 1.00 0.93 H new ATOM 0 HA SER A 112 2.242 -4.556 8.796 1.00 0.78 H new ATOM 0 HB2 SER A 112 4.048 -6.960 8.305 1.00 0.89 H new ATOM 0 HB3 SER A 112 4.258 -5.764 9.568 1.00 0.89 H new ATOM 0 HG SER A 112 3.077 -7.629 10.313 1.00 1.58 H new ATOM 1665 N VAL A 113 4.456 -3.489 7.770 1.00 0.56 N ATOM 1666 CA VAL A 113 5.422 -2.704 6.999 1.00 0.51 C ATOM 1667 C VAL A 113 6.674 -2.438 7.825 1.00 0.53 C ATOM 1668 O VAL A 113 6.609 -2.482 9.054 1.00 0.65 O ATOM 1669 CB VAL A 113 4.816 -1.384 6.477 1.00 0.62 C ATOM 1670 CG1 VAL A 113 3.295 -1.425 6.310 1.00 0.79 C ATOM 1671 CG2 VAL A 113 5.141 -0.154 7.327 1.00 0.74 C ATOM 0 H VAL A 113 4.437 -3.260 8.764 1.00 0.56 H new ATOM 0 HA VAL A 113 5.698 -3.294 6.125 1.00 0.51 H new ATOM 0 HB VAL A 113 5.298 -1.287 5.504 1.00 0.62 H new ATOM 0 HG11 VAL A 113 2.944 -0.462 5.940 1.00 0.79 H new ATOM 0 HG12 VAL A 113 3.028 -2.206 5.599 1.00 0.79 H new ATOM 0 HG13 VAL A 113 2.829 -1.636 7.272 1.00 0.79 H new ATOM 0 HG21 VAL A 113 4.675 0.727 6.886 1.00 0.74 H new ATOM 0 HG22 VAL A 113 4.759 -0.299 8.338 1.00 0.74 H new ATOM 0 HG23 VAL A 113 6.221 -0.013 7.364 1.00 0.74 H new ATOM 1681 N LEU A 114 7.785 -2.113 7.150 1.00 0.68 N ATOM 1682 CA LEU A 114 9.084 -1.909 7.781 1.00 0.87 C ATOM 1683 C LEU A 114 9.806 -0.648 7.321 1.00 0.85 C ATOM 1684 O LEU A 114 9.834 -0.345 6.130 1.00 0.89 O ATOM 1685 CB LEU A 114 9.977 -3.144 7.583 1.00 1.04 C ATOM 1686 CG LEU A 114 10.104 -3.556 6.104 1.00 1.60 C ATOM 1687 CD1 LEU A 114 11.562 -3.843 5.745 1.00 1.83 C ATOM 1688 CD2 LEU A 114 9.236 -4.781 5.793 1.00 2.98 C ATOM 0 H LEU A 114 7.801 -1.984 6.138 1.00 0.68 H new ATOM 0 HA LEU A 114 8.882 -1.766 8.843 1.00 0.87 H new ATOM 0 HB2 LEU A 114 10.969 -2.938 7.985 1.00 1.04 H new ATOM 0 HB3 LEU A 114 9.569 -3.978 8.154 1.00 1.04 H new ATOM 0 HG LEU A 114 9.750 -2.722 5.498 1.00 1.60 H new ATOM 0 HD11 LEU A 114 11.628 -4.132 4.696 1.00 1.83 H new ATOM 0 HD12 LEU A 114 12.161 -2.948 5.913 1.00 1.83 H new ATOM 0 HD13 LEU A 114 11.938 -4.654 6.369 1.00 1.83 H new ATOM 0 HD21 LEU A 114 9.347 -5.048 4.742 1.00 2.98 H new ATOM 0 HD22 LEU A 114 9.552 -5.618 6.415 1.00 2.98 H new ATOM 0 HD23 LEU A 114 8.191 -4.549 6.000 1.00 2.98 H new ATOM 1700 N TYR A 115 10.450 0.042 8.275 1.00 1.01 N ATOM 1701 CA TYR A 115 11.290 1.223 8.057 1.00 1.22 C ATOM 1702 C TYR A 115 12.659 0.753 7.553 1.00 1.32 C ATOM 1703 O TYR A 115 13.682 0.897 8.230 1.00 1.65 O ATOM 1704 CB TYR A 115 11.358 2.044 9.372 1.00 1.55 C ATOM 1705 CG TYR A 115 10.904 3.482 9.244 1.00 2.19 C ATOM 1706 CD1 TYR A 115 11.743 4.551 9.614 1.00 3.48 C ATOM 1707 CD2 TYR A 115 9.588 3.743 8.837 1.00 3.17 C ATOM 1708 CE1 TYR A 115 11.279 5.873 9.500 1.00 4.39 C ATOM 1709 CE2 TYR A 115 9.158 5.063 8.633 1.00 4.38 C ATOM 1710 CZ TYR A 115 10.019 6.128 8.933 1.00 4.59 C ATOM 1711 OH TYR A 115 9.580 7.403 8.746 1.00 5.84 O ATOM 0 H TYR A 115 10.395 -0.221 9.259 1.00 1.01 H new ATOM 0 HA TYR A 115 10.876 1.887 7.298 1.00 1.22 H new ATOM 0 HB2 TYR A 115 10.745 1.549 10.125 1.00 1.55 H new ATOM 0 HB3 TYR A 115 12.384 2.033 9.739 1.00 1.55 H new ATOM 0 HD1 TYR A 115 12.739 4.356 9.984 1.00 3.48 H new ATOM 0 HD2 TYR A 115 8.902 2.924 8.680 1.00 3.17 H new ATOM 0 HE1 TYR A 115 11.891 6.692 9.848 1.00 4.39 H new ATOM 0 HE2 TYR A 115 8.168 5.258 8.247 1.00 4.38 H new ATOM 0 HH TYR A 115 9.933 7.978 9.457 1.00 5.84 H new ATOM 1721 N ASN A 116 12.659 0.049 6.414 1.00 1.17 N ATOM 1722 CA ASN A 116 13.807 -0.638 5.812 1.00 1.33 C ATOM 1723 C ASN A 116 14.375 -1.787 6.673 1.00 1.05 C ATOM 1724 O ASN A 116 14.903 -2.751 6.128 1.00 0.98 O ATOM 1725 CB ASN A 116 14.877 0.373 5.379 1.00 1.89 C ATOM 1726 CG ASN A 116 16.108 -0.297 4.779 1.00 2.43 C ATOM 1727 OD1 ASN A 116 17.242 -0.212 5.471 1.00 3.66 O flip ATOM 1728 ND2 ASN A 116 16.055 -0.870 3.696 1.00 2.75 N flip ATOM 0 H ASN A 116 11.811 -0.062 5.858 1.00 1.17 H new ATOM 0 HA ASN A 116 13.438 -1.138 4.917 1.00 1.33 H new ATOM 0 HB2 ASN A 116 14.449 1.059 4.648 1.00 1.89 H new ATOM 0 HB3 ASN A 116 15.176 0.971 6.240 1.00 1.89 H new ATOM 0 HD21 ASN A 116 15.172 -0.920 3.188 1.00 2.75 H new ATOM 0 HD22 ASN A 116 16.894 -1.297 3.303 1.00 2.75 H new ATOM 1735 N GLN A 117 14.261 -1.710 8.005 1.00 1.11 N ATOM 1736 CA GLN A 117 14.690 -2.697 8.980 1.00 1.02 C ATOM 1737 C GLN A 117 13.555 -2.942 9.983 1.00 1.16 C ATOM 1738 O GLN A 117 13.107 -4.068 10.172 1.00 1.79 O ATOM 1739 CB GLN A 117 15.942 -2.183 9.715 1.00 1.17 C ATOM 1740 CG GLN A 117 17.101 -1.825 8.769 1.00 1.45 C ATOM 1741 CD GLN A 117 17.469 -0.340 8.785 1.00 1.42 C ATOM 1742 OE1 GLN A 117 18.630 0.000 8.979 1.00 2.26 O ATOM 1743 NE2 GLN A 117 16.523 0.575 8.570 1.00 1.72 N ATOM 0 H GLN A 117 13.836 -0.897 8.451 1.00 1.11 H new ATOM 0 HA GLN A 117 14.934 -3.633 8.476 1.00 1.02 H new ATOM 0 HB2 GLN A 117 15.675 -1.303 10.300 1.00 1.17 H new ATOM 0 HB3 GLN A 117 16.279 -2.944 10.419 1.00 1.17 H new ATOM 0 HG2 GLN A 117 17.978 -2.411 9.044 1.00 1.45 H new ATOM 0 HG3 GLN A 117 16.832 -2.113 7.753 1.00 1.45 H new ATOM 0 HE21 GLN A 117 15.559 0.284 8.409 1.00 1.72 H new ATOM 0 HE22 GLN A 117 16.764 1.566 8.566 1.00 1.72 H new ATOM 1752 N ALA A 118 13.105 -1.877 10.657 1.00 0.98 N ATOM 1753 CA ALA A 118 12.202 -1.981 11.796 1.00 1.13 C ATOM 1754 C ALA A 118 10.758 -2.194 11.337 1.00 0.92 C ATOM 1755 O ALA A 118 10.112 -1.240 10.896 1.00 1.20 O ATOM 1756 CB ALA A 118 12.323 -0.712 12.647 1.00 1.47 C ATOM 0 H ALA A 118 13.361 -0.918 10.422 1.00 0.98 H new ATOM 0 HA ALA A 118 12.481 -2.847 12.396 1.00 1.13 H new ATOM 0 HB1 ALA A 118 11.650 -0.782 13.502 1.00 1.47 H new ATOM 0 HB2 ALA A 118 13.349 -0.607 13.000 1.00 1.47 H new ATOM 0 HB3 ALA A 118 12.056 0.157 12.045 1.00 1.47 H new ATOM 1762 N GLU A 119 10.234 -3.418 11.477 1.00 0.85 N ATOM 1763 CA GLU A 119 8.867 -3.748 11.087 1.00 0.97 C ATOM 1764 C GLU A 119 7.858 -3.288 12.147 1.00 0.99 C ATOM 1765 O GLU A 119 7.096 -4.095 12.680 1.00 1.59 O ATOM 1766 CB GLU A 119 8.764 -5.249 10.763 1.00 1.37 C ATOM 1767 CG GLU A 119 7.517 -5.546 9.911 1.00 1.81 C ATOM 1768 CD GLU A 119 7.351 -7.022 9.577 1.00 2.56 C ATOM 1769 OE1 GLU A 119 6.469 -7.301 8.737 1.00 3.20 O ATOM 1770 OE2 GLU A 119 8.096 -7.837 10.165 1.00 3.48 O ATOM 0 H GLU A 119 10.752 -4.206 11.866 1.00 0.85 H new ATOM 0 HA GLU A 119 8.610 -3.202 10.179 1.00 0.97 H new ATOM 0 HB2 GLU A 119 9.658 -5.572 10.230 1.00 1.37 H new ATOM 0 HB3 GLU A 119 8.721 -5.822 11.689 1.00 1.37 H new ATOM 0 HG2 GLU A 119 6.631 -5.200 10.444 1.00 1.81 H new ATOM 0 HG3 GLU A 119 7.575 -4.976 8.984 1.00 1.81 H new ATOM 1777 N LYS A 120 7.825 -1.983 12.456 1.00 0.68 N ATOM 1778 CA LYS A 120 6.899 -1.400 13.422 1.00 0.74 C ATOM 1779 C LYS A 120 5.908 -0.522 12.686 1.00 0.68 C ATOM 1780 O LYS A 120 5.790 0.682 12.910 1.00 0.97 O ATOM 1781 CB LYS A 120 7.642 -0.681 14.554 1.00 1.19 C ATOM 1782 CG LYS A 120 8.538 -1.642 15.348 1.00 2.03 C ATOM 1783 CD LYS A 120 7.874 -2.967 15.717 1.00 2.36 C ATOM 1784 CE LYS A 120 6.638 -2.874 16.620 1.00 2.53 C ATOM 1785 NZ LYS A 120 5.955 -4.183 16.718 1.00 3.06 N ATOM 0 H LYS A 120 8.452 -1.299 12.033 1.00 0.68 H new ATOM 0 HA LYS A 120 6.334 -2.189 13.919 1.00 0.74 H new ATOM 0 HB2 LYS A 120 8.250 0.122 14.137 1.00 1.19 H new ATOM 0 HB3 LYS A 120 6.920 -0.218 15.226 1.00 1.19 H new ATOM 0 HG2 LYS A 120 9.434 -1.850 14.764 1.00 2.03 H new ATOM 0 HG3 LYS A 120 8.862 -1.145 16.263 1.00 2.03 H new ATOM 0 HD2 LYS A 120 7.589 -3.476 14.796 1.00 2.36 H new ATOM 0 HD3 LYS A 120 8.614 -3.595 16.212 1.00 2.36 H new ATOM 0 HE2 LYS A 120 6.934 -2.538 17.614 1.00 2.53 H new ATOM 0 HE3 LYS A 120 5.949 -2.129 16.224 1.00 2.53 H new ATOM 0 HZ1 LYS A 120 5.122 -4.095 17.334 1.00 3.06 H new ATOM 0 HZ2 LYS A 120 5.654 -4.489 15.771 1.00 3.06 H new ATOM 0 HZ3 LYS A 120 6.608 -4.886 17.118 1.00 3.06 H new ATOM 1799 N GLY A 121 5.175 -1.183 11.802 1.00 0.51 N ATOM 1800 CA GLY A 121 4.014 -0.586 11.173 1.00 0.52 C ATOM 1801 C GLY A 121 3.045 -1.617 10.616 1.00 0.49 C ATOM 1802 O GLY A 121 3.447 -2.732 10.281 1.00 0.60 O ATOM 0 H GLY A 121 5.369 -2.139 11.505 1.00 0.51 H new ATOM 0 HA2 GLY A 121 3.494 0.038 11.900 1.00 0.52 H new ATOM 0 HA3 GLY A 121 4.341 0.070 10.366 1.00 0.52 H new ATOM 1806 N SER A 122 1.783 -1.211 10.495 1.00 0.58 N ATOM 1807 CA SER A 122 0.704 -1.930 9.841 1.00 0.59 C ATOM 1808 C SER A 122 0.210 -1.103 8.652 1.00 0.49 C ATOM 1809 O SER A 122 0.509 0.086 8.547 1.00 0.68 O ATOM 1810 CB SER A 122 -0.396 -2.221 10.870 1.00 0.70 C ATOM 1811 OG SER A 122 -0.449 -1.231 11.883 1.00 0.82 O ATOM 0 H SER A 122 1.473 -0.317 10.875 1.00 0.58 H new ATOM 0 HA SER A 122 1.041 -2.890 9.450 1.00 0.59 H new ATOM 0 HB2 SER A 122 -1.360 -2.275 10.365 1.00 0.70 H new ATOM 0 HB3 SER A 122 -0.219 -3.196 11.324 1.00 0.70 H new ATOM 0 HG SER A 122 -1.384 -1.043 12.108 1.00 0.82 H new ATOM 1817 N TYR A 123 -0.507 -1.733 7.721 1.00 0.59 N ATOM 1818 CA TYR A 123 -1.024 -1.084 6.530 1.00 0.64 C ATOM 1819 C TYR A 123 -2.231 -1.858 6.023 1.00 0.68 C ATOM 1820 O TYR A 123 -2.249 -3.086 6.071 1.00 0.75 O ATOM 1821 CB TYR A 123 0.091 -1.006 5.481 1.00 0.98 C ATOM 1822 CG TYR A 123 -0.329 -0.861 4.032 1.00 0.67 C ATOM 1823 CD1 TYR A 123 -0.270 -1.980 3.181 1.00 2.25 C ATOM 1824 CD2 TYR A 123 -0.558 0.415 3.486 1.00 1.92 C ATOM 1825 CE1 TYR A 123 -0.306 -1.805 1.788 1.00 2.32 C ATOM 1826 CE2 TYR A 123 -0.589 0.589 2.092 1.00 2.33 C ATOM 1827 CZ TYR A 123 -0.402 -0.515 1.244 1.00 1.59 C ATOM 1828 OH TYR A 123 -0.210 -0.327 -0.093 1.00 2.16 O ATOM 0 H TYR A 123 -0.745 -2.723 7.780 1.00 0.59 H new ATOM 0 HA TYR A 123 -1.350 -0.068 6.751 1.00 0.64 H new ATOM 0 HB2 TYR A 123 0.733 -0.162 5.733 1.00 0.98 H new ATOM 0 HB3 TYR A 123 0.700 -1.906 5.568 1.00 0.98 H new ATOM 0 HD1 TYR A 123 -0.197 -2.973 3.599 1.00 2.25 H new ATOM 0 HD2 TYR A 123 -0.710 1.262 4.139 1.00 1.92 H new ATOM 0 HE1 TYR A 123 -0.260 -2.664 1.135 1.00 2.32 H new ATOM 0 HE2 TYR A 123 -0.756 1.570 1.673 1.00 2.33 H new ATOM 0 HH TYR A 123 -0.312 0.624 -0.308 1.00 2.16 H new ATOM 1838 N SER A 124 -3.239 -1.139 5.532 1.00 0.72 N ATOM 1839 CA SER A 124 -4.458 -1.710 5.001 1.00 0.85 C ATOM 1840 C SER A 124 -4.725 -0.995 3.690 1.00 0.85 C ATOM 1841 O SER A 124 -4.613 0.231 3.634 1.00 0.92 O ATOM 1842 CB SER A 124 -5.602 -1.525 6.004 1.00 0.98 C ATOM 1843 OG SER A 124 -6.788 -2.123 5.520 1.00 2.52 O ATOM 0 H SER A 124 -3.222 -0.120 5.495 1.00 0.72 H new ATOM 0 HA SER A 124 -4.371 -2.783 4.830 1.00 0.85 H new ATOM 0 HB2 SER A 124 -5.329 -1.969 6.962 1.00 0.98 H new ATOM 0 HB3 SER A 124 -5.770 -0.463 6.181 1.00 0.98 H new ATOM 0 HG SER A 124 -6.581 -3.006 5.148 1.00 2.52 H new ATOM 1849 N LEU A 125 -5.005 -1.763 2.636 1.00 0.90 N ATOM 1850 CA LEU A 125 -5.111 -1.234 1.286 1.00 0.94 C ATOM 1851 C LEU A 125 -6.168 -1.994 0.500 1.00 1.01 C ATOM 1852 O LEU A 125 -6.233 -3.218 0.570 1.00 1.10 O ATOM 1853 CB LEU A 125 -3.731 -1.330 0.634 1.00 0.95 C ATOM 1854 CG LEU A 125 -3.577 -0.651 -0.732 1.00 0.82 C ATOM 1855 CD1 LEU A 125 -4.143 -1.439 -1.913 1.00 0.79 C ATOM 1856 CD2 LEU A 125 -4.000 0.816 -0.736 1.00 0.88 C ATOM 0 H LEU A 125 -5.164 -2.769 2.700 1.00 0.90 H new ATOM 0 HA LEU A 125 -5.427 -0.191 1.302 1.00 0.94 H new ATOM 0 HB2 LEU A 125 -2.999 -0.897 1.316 1.00 0.95 H new ATOM 0 HB3 LEU A 125 -3.478 -2.384 0.523 1.00 0.95 H new ATOM 0 HG LEU A 125 -2.500 -0.654 -0.899 1.00 0.82 H new ATOM 0 HD11 LEU A 125 -3.986 -0.877 -2.834 1.00 0.79 H new ATOM 0 HD12 LEU A 125 -3.636 -2.401 -1.984 1.00 0.79 H new ATOM 0 HD13 LEU A 125 -5.211 -1.601 -1.764 1.00 0.79 H new ATOM 0 HD21 LEU A 125 -3.864 1.231 -1.735 1.00 0.88 H new ATOM 0 HD22 LEU A 125 -5.049 0.893 -0.451 1.00 0.88 H new ATOM 0 HD23 LEU A 125 -3.389 1.373 -0.025 1.00 0.88 H new ATOM 1868 N GLY A 126 -6.981 -1.261 -0.254 1.00 1.02 N ATOM 1869 CA GLY A 126 -8.054 -1.753 -1.103 1.00 1.06 C ATOM 1870 C GLY A 126 -8.064 -0.943 -2.395 1.00 0.83 C ATOM 1871 O GLY A 126 -7.426 0.106 -2.464 1.00 1.08 O ATOM 0 H GLY A 126 -6.901 -0.245 -0.289 1.00 1.02 H new ATOM 0 HA2 GLY A 126 -7.909 -2.811 -1.321 1.00 1.06 H new ATOM 0 HA3 GLY A 126 -9.012 -1.662 -0.592 1.00 1.06 H new ATOM 1875 N ILE A 127 -8.763 -1.437 -3.420 1.00 0.75 N ATOM 1876 CA ILE A 127 -8.941 -0.744 -4.699 1.00 0.64 C ATOM 1877 C ILE A 127 -10.369 -0.212 -4.768 1.00 0.70 C ATOM 1878 O ILE A 127 -11.207 -0.633 -3.975 1.00 0.93 O ATOM 1879 CB ILE A 127 -8.578 -1.676 -5.881 1.00 0.95 C ATOM 1880 CG1 ILE A 127 -7.309 -1.220 -6.625 1.00 1.46 C ATOM 1881 CG2 ILE A 127 -9.717 -1.938 -6.886 1.00 2.16 C ATOM 1882 CD1 ILE A 127 -7.344 0.223 -7.149 1.00 3.00 C ATOM 0 H ILE A 127 -9.229 -2.344 -3.384 1.00 0.75 H new ATOM 0 HA ILE A 127 -8.262 0.105 -4.774 1.00 0.64 H new ATOM 0 HB ILE A 127 -8.382 -2.631 -5.393 1.00 0.95 H new ATOM 0 HG12 ILE A 127 -6.456 -1.326 -5.955 1.00 1.46 H new ATOM 0 HG13 ILE A 127 -7.139 -1.892 -7.466 1.00 1.46 H new ATOM 0 HG21 ILE A 127 -9.361 -2.601 -7.674 1.00 2.16 H new ATOM 0 HG22 ILE A 127 -10.557 -2.404 -6.371 1.00 2.16 H new ATOM 0 HG23 ILE A 127 -10.040 -0.994 -7.324 1.00 2.16 H new ATOM 0 HD11 ILE A 127 -6.406 0.448 -7.657 1.00 3.00 H new ATOM 0 HD12 ILE A 127 -8.172 0.336 -7.849 1.00 3.00 H new ATOM 0 HD13 ILE A 127 -7.478 0.910 -6.314 1.00 3.00 H new ATOM 1894 N PHE A 128 -10.663 0.689 -5.710 1.00 0.76 N ATOM 1895 CA PHE A 128 -12.026 1.100 -5.982 1.00 0.93 C ATOM 1896 C PHE A 128 -12.306 1.316 -7.468 1.00 1.04 C ATOM 1897 O PHE A 128 -11.420 1.707 -8.237 1.00 1.32 O ATOM 1898 CB PHE A 128 -12.336 2.354 -5.152 1.00 1.80 C ATOM 1899 CG PHE A 128 -13.695 2.969 -5.418 1.00 2.40 C ATOM 1900 CD1 PHE A 128 -14.854 2.342 -4.927 1.00 3.46 C ATOM 1901 CD2 PHE A 128 -13.809 4.094 -6.256 1.00 3.32 C ATOM 1902 CE1 PHE A 128 -16.123 2.828 -5.285 1.00 4.30 C ATOM 1903 CE2 PHE A 128 -15.079 4.588 -6.602 1.00 4.37 C ATOM 1904 CZ PHE A 128 -16.236 3.951 -6.123 1.00 4.51 C ATOM 0 H PHE A 128 -9.964 1.145 -6.296 1.00 0.76 H new ATOM 0 HA PHE A 128 -12.693 0.290 -5.688 1.00 0.93 H new ATOM 0 HB2 PHE A 128 -12.268 2.099 -4.094 1.00 1.80 H new ATOM 0 HB3 PHE A 128 -11.569 3.103 -5.349 1.00 1.80 H new ATOM 0 HD1 PHE A 128 -14.769 1.486 -4.274 1.00 3.46 H new ATOM 0 HD2 PHE A 128 -12.920 4.578 -6.633 1.00 3.32 H new ATOM 0 HE1 PHE A 128 -17.012 2.338 -4.916 1.00 4.30 H new ATOM 0 HE2 PHE A 128 -15.165 5.458 -7.236 1.00 4.37 H new ATOM 0 HZ PHE A 128 -17.211 4.324 -6.398 1.00 4.51 H new ATOM 1914 N GLY A 129 -13.579 1.098 -7.833 1.00 1.62 N ATOM 1915 CA GLY A 129 -14.207 1.779 -8.955 1.00 2.49 C ATOM 1916 C GLY A 129 -14.610 0.866 -10.115 1.00 1.86 C ATOM 1917 O GLY A 129 -15.276 1.330 -11.040 1.00 2.49 O ATOM 0 H GLY A 129 -14.195 0.442 -7.352 1.00 1.62 H new ATOM 0 HA2 GLY A 129 -15.095 2.300 -8.595 1.00 2.49 H new ATOM 0 HA3 GLY A 129 -13.522 2.539 -9.330 1.00 2.49 H new ATOM 1921 N GLY A 130 -14.198 -0.402 -10.114 1.00 1.38 N ATOM 1922 CA GLY A 130 -14.676 -1.383 -11.087 1.00 1.82 C ATOM 1923 C GLY A 130 -13.805 -1.375 -12.341 1.00 1.84 C ATOM 1924 O GLY A 130 -14.301 -1.559 -13.456 1.00 2.85 O ATOM 0 H GLY A 130 -13.527 -0.776 -9.443 1.00 1.38 H new ATOM 0 HA2 GLY A 130 -14.669 -2.377 -10.641 1.00 1.82 H new ATOM 0 HA3 GLY A 130 -15.709 -1.162 -11.355 1.00 1.82 H new ATOM 1928 N LYS A 131 -12.509 -1.174 -12.110 1.00 1.49 N ATOM 1929 CA LYS A 131 -11.351 -1.228 -12.998 1.00 1.37 C ATOM 1930 C LYS A 131 -10.146 -0.535 -12.338 1.00 1.21 C ATOM 1931 O LYS A 131 -9.448 0.218 -13.010 1.00 1.58 O ATOM 1932 CB LYS A 131 -11.641 -0.713 -14.428 1.00 1.61 C ATOM 1933 CG LYS A 131 -12.214 0.710 -14.517 1.00 1.95 C ATOM 1934 CD LYS A 131 -12.540 1.091 -15.973 1.00 2.29 C ATOM 1935 CE LYS A 131 -11.635 2.210 -16.519 1.00 2.39 C ATOM 1936 NZ LYS A 131 -12.083 3.559 -16.109 1.00 3.27 N ATOM 0 H LYS A 131 -12.208 -0.937 -11.165 1.00 1.49 H new ATOM 0 HA LYS A 131 -11.098 -2.278 -13.143 1.00 1.37 H new ATOM 0 HB2 LYS A 131 -10.716 -0.750 -15.003 1.00 1.61 H new ATOM 0 HB3 LYS A 131 -12.341 -1.398 -14.907 1.00 1.61 H new ATOM 0 HG2 LYS A 131 -13.116 0.780 -13.910 1.00 1.95 H new ATOM 0 HG3 LYS A 131 -11.497 1.420 -14.105 1.00 1.95 H new ATOM 0 HD2 LYS A 131 -12.439 0.209 -16.605 1.00 2.29 H new ATOM 0 HD3 LYS A 131 -13.580 1.410 -16.035 1.00 2.29 H new ATOM 0 HE2 LYS A 131 -10.615 2.049 -16.170 1.00 2.39 H new ATOM 0 HE3 LYS A 131 -11.612 2.155 -17.607 1.00 2.39 H new ATOM 0 HZ1 LYS A 131 -11.280 4.219 -16.151 1.00 3.27 H new ATOM 0 HZ2 LYS A 131 -12.833 3.886 -16.751 1.00 3.27 H new ATOM 0 HZ3 LYS A 131 -12.451 3.522 -15.137 1.00 3.27 H new ATOM 1950 N ALA A 132 -9.890 -0.787 -11.041 1.00 1.03 N ATOM 1951 CA ALA A 132 -8.708 -0.345 -10.319 1.00 0.94 C ATOM 1952 C ALA A 132 -8.354 1.120 -10.580 1.00 1.00 C ATOM 1953 O ALA A 132 -7.326 1.393 -11.196 1.00 1.31 O ATOM 1954 CB ALA A 132 -7.535 -1.284 -10.624 1.00 1.04 C ATOM 0 H ALA A 132 -10.531 -1.324 -10.456 1.00 1.03 H new ATOM 0 HA ALA A 132 -8.934 -0.396 -9.254 1.00 0.94 H new ATOM 0 HB1 ALA A 132 -6.651 -0.950 -10.081 1.00 1.04 H new ATOM 0 HB2 ALA A 132 -7.790 -2.297 -10.314 1.00 1.04 H new ATOM 0 HB3 ALA A 132 -7.329 -1.273 -11.694 1.00 1.04 H new ATOM 1960 N GLN A 133 -9.180 2.062 -10.114 1.00 0.93 N ATOM 1961 CA GLN A 133 -9.060 3.466 -10.499 1.00 1.00 C ATOM 1962 C GLN A 133 -8.365 4.286 -9.423 1.00 0.96 C ATOM 1963 O GLN A 133 -7.431 5.026 -9.725 1.00 1.08 O ATOM 1964 CB GLN A 133 -10.434 4.030 -10.865 1.00 1.13 C ATOM 1965 CG GLN A 133 -10.744 3.573 -12.296 1.00 1.12 C ATOM 1966 CD GLN A 133 -12.228 3.434 -12.577 1.00 1.85 C ATOM 1967 OE1 GLN A 133 -12.742 4.004 -13.537 1.00 2.14 O ATOM 1968 NE2 GLN A 133 -12.893 2.581 -11.813 1.00 2.91 N ATOM 0 H GLN A 133 -9.944 1.872 -9.465 1.00 0.93 H new ATOM 0 HA GLN A 133 -8.427 3.530 -11.384 1.00 1.00 H new ATOM 0 HB2 GLN A 133 -11.195 3.670 -10.173 1.00 1.13 H new ATOM 0 HB3 GLN A 133 -10.433 5.118 -10.800 1.00 1.13 H new ATOM 0 HG2 GLN A 133 -10.314 4.287 -12.998 1.00 1.12 H new ATOM 0 HG3 GLN A 133 -10.256 2.615 -12.477 1.00 1.12 H new ATOM 0 HE21 GLN A 133 -12.426 2.130 -11.026 1.00 2.91 H new ATOM 0 HE22 GLN A 133 -13.872 2.374 -12.012 1.00 2.91 H new ATOM 1977 N GLU A 134 -8.810 4.141 -8.177 1.00 0.90 N ATOM 1978 CA GLU A 134 -8.123 4.709 -7.033 1.00 0.88 C ATOM 1979 C GLU A 134 -7.992 3.617 -5.989 1.00 0.86 C ATOM 1980 O GLU A 134 -8.855 2.741 -5.911 1.00 1.13 O ATOM 1981 CB GLU A 134 -8.871 5.928 -6.479 1.00 1.04 C ATOM 1982 CG GLU A 134 -9.042 7.007 -7.559 1.00 1.15 C ATOM 1983 CD GLU A 134 -9.121 8.411 -6.986 1.00 1.73 C ATOM 1984 OE1 GLU A 134 -9.896 9.240 -7.513 1.00 2.07 O ATOM 1985 OE2 GLU A 134 -8.291 8.753 -6.114 1.00 3.08 O ATOM 0 H GLU A 134 -9.657 3.626 -7.938 1.00 0.90 H new ATOM 0 HA GLU A 134 -7.136 5.066 -7.327 1.00 0.88 H new ATOM 0 HB2 GLU A 134 -9.849 5.621 -6.108 1.00 1.04 H new ATOM 0 HB3 GLU A 134 -8.324 6.340 -5.631 1.00 1.04 H new ATOM 0 HG2 GLU A 134 -8.206 6.951 -8.256 1.00 1.15 H new ATOM 0 HG3 GLU A 134 -9.948 6.802 -8.130 1.00 1.15 H new ATOM 1992 N VAL A 135 -6.911 3.660 -5.209 1.00 0.81 N ATOM 1993 CA VAL A 135 -6.761 2.809 -4.042 1.00 0.82 C ATOM 1994 C VAL A 135 -7.290 3.562 -2.825 1.00 1.23 C ATOM 1995 O VAL A 135 -7.135 4.779 -2.736 1.00 1.86 O ATOM 1996 CB VAL A 135 -5.314 2.326 -3.850 1.00 1.03 C ATOM 1997 CG1 VAL A 135 -4.748 1.594 -5.070 1.00 1.22 C ATOM 1998 CG2 VAL A 135 -4.376 3.461 -3.453 1.00 1.62 C ATOM 0 H VAL A 135 -6.122 4.285 -5.373 1.00 0.81 H new ATOM 0 HA VAL A 135 -7.345 1.899 -4.183 1.00 0.82 H new ATOM 0 HB VAL A 135 -5.368 1.608 -3.032 1.00 1.03 H new ATOM 0 HG11 VAL A 135 -3.724 1.282 -4.864 1.00 1.22 H new ATOM 0 HG12 VAL A 135 -5.359 0.717 -5.284 1.00 1.22 H new ATOM 0 HG13 VAL A 135 -4.757 2.262 -5.932 1.00 1.22 H new ATOM 0 HG21 VAL A 135 -3.366 3.071 -3.329 1.00 1.62 H new ATOM 0 HG22 VAL A 135 -4.378 4.224 -4.232 1.00 1.62 H new ATOM 0 HG23 VAL A 135 -4.713 3.900 -2.514 1.00 1.62 H new ATOM 2008 N ALA A 136 -7.903 2.832 -1.896 1.00 1.26 N ATOM 2009 CA ALA A 136 -8.326 3.327 -0.600 1.00 1.68 C ATOM 2010 C ALA A 136 -7.524 2.538 0.425 1.00 1.39 C ATOM 2011 O ALA A 136 -7.608 1.312 0.448 1.00 1.33 O ATOM 2012 CB ALA A 136 -9.831 3.103 -0.433 1.00 2.23 C ATOM 0 H ALA A 136 -8.124 1.846 -2.036 1.00 1.26 H new ATOM 0 HA ALA A 136 -8.151 4.396 -0.482 1.00 1.68 H new ATOM 0 HB1 ALA A 136 -10.148 3.475 0.541 1.00 2.23 H new ATOM 0 HB2 ALA A 136 -10.368 3.636 -1.218 1.00 2.23 H new ATOM 0 HB3 ALA A 136 -10.050 2.038 -0.503 1.00 2.23 H new ATOM 2018 N GLY A 137 -6.686 3.207 1.215 1.00 1.27 N ATOM 2019 CA GLY A 137 -5.871 2.539 2.208 1.00 1.10 C ATOM 2020 C GLY A 137 -5.450 3.510 3.295 1.00 1.04 C ATOM 2021 O GLY A 137 -5.725 4.705 3.206 1.00 1.19 O ATOM 0 H GLY A 137 -6.559 4.218 1.180 1.00 1.27 H new ATOM 0 HA2 GLY A 137 -6.429 1.712 2.648 1.00 1.10 H new ATOM 0 HA3 GLY A 137 -4.988 2.111 1.733 1.00 1.10 H new ATOM 2025 N SER A 138 -4.746 2.990 4.298 1.00 0.89 N ATOM 2026 CA SER A 138 -3.903 3.777 5.178 1.00 0.80 C ATOM 2027 C SER A 138 -2.705 2.902 5.508 1.00 0.75 C ATOM 2028 O SER A 138 -2.853 1.686 5.643 1.00 0.83 O ATOM 2029 CB SER A 138 -4.653 4.182 6.453 1.00 0.93 C ATOM 2030 OG SER A 138 -3.914 5.126 7.215 1.00 2.28 O ATOM 0 H SER A 138 -4.749 1.995 4.521 1.00 0.89 H new ATOM 0 HA SER A 138 -3.596 4.706 4.697 1.00 0.80 H new ATOM 0 HB2 SER A 138 -5.621 4.606 6.187 1.00 0.93 H new ATOM 0 HB3 SER A 138 -4.848 3.297 7.058 1.00 0.93 H new ATOM 0 HG SER A 138 -3.034 4.753 7.433 1.00 2.28 H new ATOM 2036 N ALA A 139 -1.538 3.522 5.667 1.00 0.78 N ATOM 2037 CA ALA A 139 -0.478 2.940 6.468 1.00 0.70 C ATOM 2038 C ALA A 139 -0.637 3.493 7.882 1.00 0.71 C ATOM 2039 O ALA A 139 -1.263 4.539 8.064 1.00 1.01 O ATOM 2040 CB ALA A 139 0.888 3.265 5.864 1.00 0.70 C ATOM 0 H ALA A 139 -1.308 4.424 5.251 1.00 0.78 H new ATOM 0 HA ALA A 139 -0.543 1.852 6.492 1.00 0.70 H new ATOM 0 HB1 ALA A 139 1.672 2.821 6.477 1.00 0.70 H new ATOM 0 HB2 ALA A 139 0.945 2.860 4.854 1.00 0.70 H new ATOM 0 HB3 ALA A 139 1.023 4.346 5.830 1.00 0.70 H new ATOM 2046 N GLU A 140 -0.085 2.783 8.862 1.00 0.68 N ATOM 2047 CA GLU A 140 0.174 3.281 10.199 1.00 0.73 C ATOM 2048 C GLU A 140 1.496 2.697 10.682 1.00 0.77 C ATOM 2049 O GLU A 140 1.582 1.559 11.141 1.00 1.10 O ATOM 2050 CB GLU A 140 -0.966 3.009 11.175 1.00 1.01 C ATOM 2051 CG GLU A 140 -1.656 1.680 10.929 1.00 2.40 C ATOM 2052 CD GLU A 140 -2.482 1.271 12.138 1.00 2.89 C ATOM 2053 OE1 GLU A 140 -2.750 0.056 12.246 1.00 4.03 O ATOM 2054 OE2 GLU A 140 -2.792 2.175 12.956 1.00 2.97 O ATOM 0 H GLU A 140 0.202 1.812 8.737 1.00 0.68 H new ATOM 0 HA GLU A 140 0.244 4.368 10.157 1.00 0.73 H new ATOM 0 HB2 GLU A 140 -0.577 3.027 12.193 1.00 1.01 H new ATOM 0 HB3 GLU A 140 -1.700 3.812 11.100 1.00 1.01 H new ATOM 0 HG2 GLU A 140 -2.299 1.755 10.052 1.00 2.40 H new ATOM 0 HG3 GLU A 140 -0.912 0.913 10.714 1.00 2.40 H new ATOM 2061 N VAL A 141 2.533 3.511 10.548 1.00 0.71 N ATOM 2062 CA VAL A 141 3.904 3.183 10.896 1.00 0.77 C ATOM 2063 C VAL A 141 4.308 3.988 12.126 1.00 0.82 C ATOM 2064 O VAL A 141 3.785 5.076 12.351 1.00 1.33 O ATOM 2065 CB VAL A 141 4.806 3.475 9.688 1.00 0.84 C ATOM 2066 CG1 VAL A 141 6.191 2.845 9.861 1.00 1.79 C ATOM 2067 CG2 VAL A 141 4.169 2.943 8.399 1.00 1.97 C ATOM 0 H VAL A 141 2.436 4.457 10.178 1.00 0.71 H new ATOM 0 HA VAL A 141 4.007 2.126 11.142 1.00 0.77 H new ATOM 0 HB VAL A 141 4.918 4.557 9.621 1.00 0.84 H new ATOM 0 HG11 VAL A 141 6.805 3.070 8.989 1.00 1.79 H new ATOM 0 HG12 VAL A 141 6.666 3.251 10.754 1.00 1.79 H new ATOM 0 HG13 VAL A 141 6.089 1.765 9.964 1.00 1.79 H new ATOM 0 HG21 VAL A 141 4.823 3.159 7.554 1.00 1.97 H new ATOM 0 HG22 VAL A 141 4.027 1.865 8.481 1.00 1.97 H new ATOM 0 HG23 VAL A 141 3.204 3.426 8.244 1.00 1.97 H new ATOM 2077 N LYS A 142 5.228 3.470 12.938 1.00 0.66 N ATOM 2078 CA LYS A 142 5.791 4.241 14.030 1.00 0.78 C ATOM 2079 C LYS A 142 7.273 3.930 14.150 1.00 0.95 C ATOM 2080 O LYS A 142 7.691 2.775 14.077 1.00 1.37 O ATOM 2081 CB LYS A 142 5.026 3.973 15.330 1.00 0.96 C ATOM 2082 CG LYS A 142 5.345 2.587 15.908 1.00 1.17 C ATOM 2083 CD LYS A 142 4.310 2.156 16.956 1.00 1.65 C ATOM 2084 CE LYS A 142 4.228 3.148 18.130 1.00 3.05 C ATOM 2085 NZ LYS A 142 3.269 2.710 19.166 1.00 3.76 N ATOM 0 H LYS A 142 5.595 2.522 12.856 1.00 0.66 H new ATOM 0 HA LYS A 142 5.688 5.307 13.826 1.00 0.78 H new ATOM 0 HB2 LYS A 142 5.278 4.739 16.064 1.00 0.96 H new ATOM 0 HB3 LYS A 142 3.955 4.050 15.143 1.00 0.96 H new ATOM 0 HG2 LYS A 142 5.373 1.854 15.102 1.00 1.17 H new ATOM 0 HG3 LYS A 142 6.337 2.601 16.360 1.00 1.17 H new ATOM 0 HD2 LYS A 142 3.331 2.071 16.485 1.00 1.65 H new ATOM 0 HD3 LYS A 142 4.568 1.167 17.335 1.00 1.65 H new ATOM 0 HE2 LYS A 142 5.216 3.262 18.577 1.00 3.05 H new ATOM 0 HE3 LYS A 142 3.933 4.128 17.755 1.00 3.05 H new ATOM 0 HZ1 LYS A 142 3.247 3.408 19.936 1.00 3.76 H new ATOM 0 HZ2 LYS A 142 2.320 2.626 18.748 1.00 3.76 H new ATOM 0 HZ3 LYS A 142 3.564 1.787 19.544 1.00 3.76 H new ATOM 2099 N THR A 143 8.078 4.966 14.337 1.00 0.98 N ATOM 2100 CA THR A 143 9.502 4.847 14.602 1.00 1.17 C ATOM 2101 C THR A 143 9.876 6.135 15.330 1.00 1.12 C ATOM 2102 O THR A 143 9.067 7.066 15.352 1.00 1.02 O ATOM 2103 CB THR A 143 10.284 4.640 13.285 1.00 1.36 C ATOM 2104 OG1 THR A 143 9.608 3.749 12.421 1.00 2.11 O ATOM 2105 CG2 THR A 143 11.691 4.076 13.506 1.00 2.44 C ATOM 0 H THR A 143 7.751 5.932 14.308 1.00 0.98 H new ATOM 0 HA THR A 143 9.753 3.980 15.213 1.00 1.17 H new ATOM 0 HB THR A 143 10.360 5.633 12.843 1.00 1.36 H new ATOM 0 HG1 THR A 143 10.058 3.732 11.551 1.00 2.11 H new ATOM 0 HG21 THR A 143 12.189 3.953 12.544 1.00 2.44 H new ATOM 0 HG22 THR A 143 12.265 4.764 14.127 1.00 2.44 H new ATOM 0 HG23 THR A 143 11.621 3.109 14.004 1.00 2.44 H new ATOM 2113 N VAL A 144 11.093 6.219 15.878 1.00 1.24 N ATOM 2114 CA VAL A 144 11.645 7.444 16.458 1.00 1.28 C ATOM 2115 C VAL A 144 11.376 8.648 15.543 1.00 1.24 C ATOM 2116 O VAL A 144 11.148 9.757 16.019 1.00 1.31 O ATOM 2117 CB VAL A 144 13.152 7.255 16.727 1.00 1.45 C ATOM 2118 CG1 VAL A 144 13.790 8.530 17.296 1.00 2.07 C ATOM 2119 CG2 VAL A 144 13.393 6.112 17.726 1.00 1.77 C ATOM 0 H VAL A 144 11.730 5.425 15.931 1.00 1.24 H new ATOM 0 HA VAL A 144 11.151 7.648 17.408 1.00 1.28 H new ATOM 0 HB VAL A 144 13.611 7.017 15.767 1.00 1.45 H new ATOM 0 HG11 VAL A 144 14.852 8.358 17.473 1.00 2.07 H new ATOM 0 HG12 VAL A 144 13.668 9.347 16.584 1.00 2.07 H new ATOM 0 HG13 VAL A 144 13.304 8.792 18.236 1.00 2.07 H new ATOM 0 HG21 VAL A 144 14.463 5.999 17.899 1.00 1.77 H new ATOM 0 HG22 VAL A 144 12.896 6.342 18.668 1.00 1.77 H new ATOM 0 HG23 VAL A 144 12.991 5.184 17.320 1.00 1.77 H new ATOM 2129 N ASN A 145 11.375 8.411 14.228 1.00 1.22 N ATOM 2130 CA ASN A 145 10.908 9.359 13.225 1.00 1.19 C ATOM 2131 C ASN A 145 10.057 8.608 12.198 1.00 1.09 C ATOM 2132 O ASN A 145 10.342 8.634 11.005 1.00 1.25 O ATOM 2133 CB ASN A 145 12.094 10.101 12.588 1.00 1.49 C ATOM 2134 CG ASN A 145 13.138 9.157 11.999 1.00 1.57 C ATOM 2135 OD1 ASN A 145 13.200 8.941 10.797 1.00 2.93 O ATOM 2136 ND2 ASN A 145 13.985 8.584 12.849 1.00 1.49 N ATOM 0 H ASN A 145 11.707 7.534 13.827 1.00 1.22 H new ATOM 0 HA ASN A 145 10.285 10.125 13.687 1.00 1.19 H new ATOM 0 HB2 ASN A 145 11.724 10.761 11.803 1.00 1.49 H new ATOM 0 HB3 ASN A 145 12.566 10.734 13.340 1.00 1.49 H new ATOM 0 HD21 ASN A 145 14.705 7.950 12.502 1.00 1.49 H new ATOM 0 HD22 ASN A 145 13.915 8.779 13.848 1.00 1.49 H new ATOM 2143 N GLY A 146 8.993 7.946 12.669 1.00 0.95 N ATOM 2144 CA GLY A 146 8.068 7.184 11.836 1.00 0.95 C ATOM 2145 C GLY A 146 6.655 7.726 11.984 1.00 0.68 C ATOM 2146 O GLY A 146 6.143 7.813 13.098 1.00 0.73 O ATOM 0 H GLY A 146 8.750 7.928 13.660 1.00 0.95 H new ATOM 0 HA2 GLY A 146 8.378 7.239 10.793 1.00 0.95 H new ATOM 0 HA3 GLY A 146 8.093 6.132 12.121 1.00 0.95 H new ATOM 2150 N ILE A 147 6.050 8.108 10.858 1.00 0.59 N ATOM 2151 CA ILE A 147 4.754 8.764 10.798 1.00 0.68 C ATOM 2152 C ILE A 147 3.617 7.740 10.733 1.00 0.84 C ATOM 2153 O ILE A 147 3.595 6.880 9.855 1.00 1.42 O ATOM 2154 CB ILE A 147 4.692 9.727 9.587 1.00 0.83 C ATOM 2155 CG1 ILE A 147 5.295 9.124 8.308 1.00 1.28 C ATOM 2156 CG2 ILE A 147 5.276 11.100 9.947 1.00 1.34 C ATOM 2157 CD1 ILE A 147 6.732 9.549 8.000 1.00 1.09 C ATOM 0 H ILE A 147 6.466 7.962 9.938 1.00 0.59 H new ATOM 0 HA ILE A 147 4.627 9.345 11.712 1.00 0.68 H new ATOM 0 HB ILE A 147 3.640 9.882 9.348 1.00 0.83 H new ATOM 0 HG12 ILE A 147 5.264 8.037 8.389 1.00 1.28 H new ATOM 0 HG13 ILE A 147 4.663 9.399 7.463 1.00 1.28 H new ATOM 0 HG21 ILE A 147 5.221 11.758 9.080 1.00 1.34 H new ATOM 0 HG22 ILE A 147 4.706 11.534 10.768 1.00 1.34 H new ATOM 0 HG23 ILE A 147 6.317 10.985 10.249 1.00 1.34 H new ATOM 0 HD11 ILE A 147 7.064 9.070 7.079 1.00 1.09 H new ATOM 0 HD12 ILE A 147 6.774 10.632 7.881 1.00 1.09 H new ATOM 0 HD13 ILE A 147 7.384 9.249 8.820 1.00 1.09 H new ATOM 2169 N ARG A 148 2.642 7.871 11.638 1.00 0.75 N ATOM 2170 CA ARG A 148 1.453 7.029 11.623 1.00 0.88 C ATOM 2171 C ARG A 148 0.495 7.459 10.518 1.00 0.86 C ATOM 2172 O ARG A 148 0.268 6.702 9.582 1.00 1.32 O ATOM 2173 CB ARG A 148 0.758 6.953 12.997 1.00 1.12 C ATOM 2174 CG ARG A 148 -0.424 5.975 12.875 1.00 2.35 C ATOM 2175 CD ARG A 148 -1.084 5.555 14.190 1.00 2.47 C ATOM 2176 NE ARG A 148 -2.236 4.660 13.931 1.00 2.95 N ATOM 2177 CZ ARG A 148 -3.541 4.947 14.072 1.00 3.06 C ATOM 2178 NH1 ARG A 148 -3.964 6.176 14.387 1.00 3.02 N ATOM 2179 NH2 ARG A 148 -4.428 3.967 13.886 1.00 3.70 N ATOM 0 H ARG A 148 2.658 8.558 12.392 1.00 0.75 H new ATOM 0 HA ARG A 148 1.783 6.014 11.402 1.00 0.88 H new ATOM 0 HB2 ARG A 148 1.458 6.613 13.760 1.00 1.12 H new ATOM 0 HB3 ARG A 148 0.408 7.939 13.303 1.00 1.12 H new ATOM 0 HG2 ARG A 148 -1.183 6.431 12.240 1.00 2.35 H new ATOM 0 HG3 ARG A 148 -0.076 5.078 12.363 1.00 2.35 H new ATOM 0 HD2 ARG A 148 -0.356 5.047 14.823 1.00 2.47 H new ATOM 0 HD3 ARG A 148 -1.418 6.438 14.734 1.00 2.47 H new ATOM 0 HE ARG A 148 -2.013 3.718 13.609 1.00 2.95 H new ATOM 0 HH11 ARG A 148 -3.289 6.927 14.527 1.00 3.02 H new ATOM 0 HH12 ARG A 148 -4.962 6.362 14.487 1.00 3.02 H new ATOM 0 HH21 ARG A 148 -4.108 3.029 13.643 1.00 3.70 H new ATOM 0 HH22 ARG A 148 -5.425 4.156 13.986 1.00 3.70 H new ATOM 2193 N HIS A 149 -0.128 8.631 10.666 1.00 0.67 N ATOM 2194 CA HIS A 149 -1.312 9.001 9.896 1.00 0.79 C ATOM 2195 C HIS A 149 -0.945 9.364 8.457 1.00 0.94 C ATOM 2196 O HIS A 149 -0.937 10.531 8.076 1.00 1.26 O ATOM 2197 CB HIS A 149 -2.074 10.117 10.626 1.00 0.88 C ATOM 2198 CG HIS A 149 -2.331 9.782 12.073 1.00 0.91 C ATOM 2199 ND1 HIS A 149 -1.823 10.456 13.160 1.00 2.30 N ATOM 2200 CD2 HIS A 149 -2.924 8.638 12.536 1.00 1.30 C ATOM 2201 CE1 HIS A 149 -2.116 9.731 14.256 1.00 2.16 C ATOM 2202 NE2 HIS A 149 -2.774 8.604 13.927 1.00 1.08 N ATOM 0 H HIS A 149 0.177 9.348 11.324 1.00 0.67 H new ATOM 0 HA HIS A 149 -1.981 8.144 9.822 1.00 0.79 H new ATOM 0 HB2 HIS A 149 -1.503 11.043 10.566 1.00 0.88 H new ATOM 0 HB3 HIS A 149 -3.024 10.295 10.122 1.00 0.88 H new ATOM 0 HD1 HIS A 149 -1.318 11.342 13.139 1.00 2.30 H new ATOM 0 HD2 HIS A 149 -3.421 7.892 11.933 1.00 1.30 H new ATOM 0 HE1 HIS A 149 -1.857 10.016 15.265 1.00 2.16 H new ATOM 2210 N ILE A 150 -0.613 8.341 7.675 1.00 0.80 N ATOM 2211 CA ILE A 150 -0.164 8.462 6.305 1.00 0.73 C ATOM 2212 C ILE A 150 -1.373 8.599 5.382 1.00 0.89 C ATOM 2213 O ILE A 150 -2.263 7.750 5.378 1.00 1.23 O ATOM 2214 CB ILE A 150 0.724 7.251 5.970 1.00 0.86 C ATOM 2215 CG1 ILE A 150 2.127 7.510 6.549 1.00 0.96 C ATOM 2216 CG2 ILE A 150 0.812 6.984 4.460 1.00 1.31 C ATOM 2217 CD1 ILE A 150 3.017 6.268 6.588 1.00 1.34 C ATOM 0 H ILE A 150 -0.653 7.374 7.996 1.00 0.80 H new ATOM 0 HA ILE A 150 0.439 9.359 6.162 1.00 0.73 H new ATOM 0 HB ILE A 150 0.278 6.361 6.414 1.00 0.86 H new ATOM 0 HG12 ILE A 150 2.619 8.280 5.954 1.00 0.96 H new ATOM 0 HG13 ILE A 150 2.026 7.905 7.560 1.00 0.96 H new ATOM 0 HG21 ILE A 150 1.451 6.119 4.280 1.00 1.31 H new ATOM 0 HG22 ILE A 150 -0.185 6.787 4.067 1.00 1.31 H new ATOM 0 HG23 ILE A 150 1.233 7.856 3.960 1.00 1.31 H new ATOM 0 HD11 ILE A 150 3.988 6.529 7.008 1.00 1.34 H new ATOM 0 HD12 ILE A 150 2.548 5.503 7.207 1.00 1.34 H new ATOM 0 HD13 ILE A 150 3.151 5.884 5.577 1.00 1.34 H new ATOM 2229 N GLY A 151 -1.376 9.646 4.559 1.00 0.82 N ATOM 2230 CA GLY A 151 -2.341 9.825 3.499 1.00 1.08 C ATOM 2231 C GLY A 151 -1.932 8.945 2.324 1.00 0.76 C ATOM 2232 O GLY A 151 -1.021 9.286 1.569 1.00 0.86 O ATOM 0 H GLY A 151 -0.693 10.401 4.619 1.00 0.82 H new ATOM 0 HA2 GLY A 151 -3.339 9.556 3.845 1.00 1.08 H new ATOM 0 HA3 GLY A 151 -2.380 10.871 3.194 1.00 1.08 H new ATOM 2236 N LEU A 152 -2.594 7.794 2.203 1.00 0.62 N ATOM 2237 CA LEU A 152 -2.416 6.856 1.109 1.00 0.69 C ATOM 2238 C LEU A 152 -3.455 7.177 0.031 1.00 0.58 C ATOM 2239 O LEU A 152 -4.652 7.099 0.305 1.00 0.79 O ATOM 2240 CB LEU A 152 -2.591 5.432 1.658 1.00 1.17 C ATOM 2241 CG LEU A 152 -2.084 4.293 0.758 1.00 0.79 C ATOM 2242 CD1 LEU A 152 -2.709 4.294 -0.640 1.00 0.77 C ATOM 2243 CD2 LEU A 152 -0.559 4.283 0.644 1.00 0.74 C ATOM 0 H LEU A 152 -3.287 7.486 2.885 1.00 0.62 H new ATOM 0 HA LEU A 152 -1.423 6.933 0.667 1.00 0.69 H new ATOM 0 HB2 LEU A 152 -2.075 5.368 2.616 1.00 1.17 H new ATOM 0 HB3 LEU A 152 -3.650 5.268 1.855 1.00 1.17 H new ATOM 0 HG LEU A 152 -2.406 3.380 1.258 1.00 0.79 H new ATOM 0 HD11 LEU A 152 -2.305 3.464 -1.220 1.00 0.77 H new ATOM 0 HD12 LEU A 152 -3.790 4.186 -0.555 1.00 0.77 H new ATOM 0 HD13 LEU A 152 -2.477 5.233 -1.142 1.00 0.77 H new ATOM 0 HD21 LEU A 152 -0.248 3.462 -0.001 1.00 0.74 H new ATOM 0 HD22 LEU A 152 -0.220 5.227 0.218 1.00 0.74 H new ATOM 0 HD23 LEU A 152 -0.121 4.153 1.634 1.00 0.74 H new ATOM 2255 N ALA A 153 -3.027 7.512 -1.189 1.00 0.62 N ATOM 2256 CA ALA A 153 -3.928 7.631 -2.333 1.00 0.76 C ATOM 2257 C ALA A 153 -3.192 7.238 -3.613 1.00 0.68 C ATOM 2258 O ALA A 153 -1.974 7.393 -3.679 1.00 0.75 O ATOM 2259 CB ALA A 153 -4.456 9.066 -2.429 1.00 1.03 C ATOM 0 H ALA A 153 -2.050 7.707 -1.409 1.00 0.62 H new ATOM 0 HA ALA A 153 -4.776 6.959 -2.201 1.00 0.76 H new ATOM 0 HB1 ALA A 153 -5.127 9.150 -3.283 1.00 1.03 H new ATOM 0 HB2 ALA A 153 -4.997 9.317 -1.516 1.00 1.03 H new ATOM 0 HB3 ALA A 153 -3.620 9.754 -2.556 1.00 1.03 H new ATOM 2265 N ALA A 154 -3.923 6.748 -4.623 1.00 0.74 N ATOM 2266 CA ALA A 154 -3.408 6.494 -5.965 1.00 0.66 C ATOM 2267 C ALA A 154 -4.419 6.990 -6.979 1.00 0.67 C ATOM 2268 O ALA A 154 -5.617 6.905 -6.724 1.00 0.88 O ATOM 2269 CB ALA A 154 -3.141 5.006 -6.224 1.00 0.86 C ATOM 0 H ALA A 154 -4.911 6.514 -4.522 1.00 0.74 H new ATOM 0 HA ALA A 154 -2.458 7.021 -6.056 1.00 0.66 H new ATOM 0 HB1 ALA A 154 -2.760 4.876 -7.237 1.00 0.86 H new ATOM 0 HB2 ALA A 154 -2.405 4.639 -5.509 1.00 0.86 H new ATOM 0 HB3 ALA A 154 -4.069 4.445 -6.111 1.00 0.86 H new ATOM 2275 N LYS A 155 -3.924 7.489 -8.109 1.00 0.72 N ATOM 2276 CA LYS A 155 -4.701 7.833 -9.292 1.00 0.86 C ATOM 2277 C LYS A 155 -3.850 7.407 -10.479 1.00 0.99 C ATOM 2278 O LYS A 155 -2.712 7.859 -10.594 1.00 1.34 O ATOM 2279 CB LYS A 155 -5.000 9.333 -9.371 1.00 1.20 C ATOM 2280 CG LYS A 155 -5.331 9.914 -7.998 1.00 2.15 C ATOM 2281 CD LYS A 155 -5.872 11.343 -8.141 1.00 2.40 C ATOM 2282 CE LYS A 155 -7.393 11.370 -8.362 1.00 3.03 C ATOM 2283 NZ LYS A 155 -8.153 11.103 -7.123 1.00 4.15 N ATOM 0 H LYS A 155 -2.928 7.672 -8.228 1.00 0.72 H new ATOM 0 HA LYS A 155 -5.669 7.333 -9.271 1.00 0.86 H new ATOM 0 HB2 LYS A 155 -4.139 9.855 -9.789 1.00 1.20 H new ATOM 0 HB3 LYS A 155 -5.836 9.503 -10.050 1.00 1.20 H new ATOM 0 HG2 LYS A 155 -6.069 9.287 -7.498 1.00 2.15 H new ATOM 0 HG3 LYS A 155 -4.439 9.917 -7.372 1.00 2.15 H new ATOM 0 HD2 LYS A 155 -5.627 11.914 -7.245 1.00 2.40 H new ATOM 0 HD3 LYS A 155 -5.376 11.835 -8.978 1.00 2.40 H new ATOM 0 HE2 LYS A 155 -7.681 12.344 -8.758 1.00 3.03 H new ATOM 0 HE3 LYS A 155 -7.660 10.628 -9.115 1.00 3.03 H new ATOM 0 HZ1 LYS A 155 -9.117 10.799 -7.366 1.00 4.15 H new ATOM 0 HZ2 LYS A 155 -7.680 10.353 -6.580 1.00 4.15 H new ATOM 0 HZ3 LYS A 155 -8.197 11.969 -6.549 1.00 4.15 H new ATOM 2297 N GLN A 156 -4.360 6.482 -11.286 1.00 0.97 N ATOM 2298 CA GLN A 156 -3.476 5.650 -12.079 1.00 1.30 C ATOM 2299 C GLN A 156 -2.785 6.417 -13.205 1.00 2.21 C ATOM 2300 O GLN A 156 -3.292 7.471 -13.646 1.00 2.62 O ATOM 2301 CB GLN A 156 -4.210 4.427 -12.633 1.00 1.55 C ATOM 2302 CG GLN A 156 -5.209 3.767 -11.676 1.00 1.90 C ATOM 2303 CD GLN A 156 -4.681 3.375 -10.287 1.00 2.61 C ATOM 2304 OE1 GLN A 156 -3.957 4.107 -9.620 1.00 4.03 O ATOM 2305 NE2 GLN A 156 -5.079 2.200 -9.807 1.00 2.47 N ATOM 0 H GLN A 156 -5.356 6.296 -11.404 1.00 0.97 H new ATOM 0 HA GLN A 156 -2.693 5.310 -11.401 1.00 1.30 H new ATOM 0 HB2 GLN A 156 -4.741 4.723 -13.538 1.00 1.55 H new ATOM 0 HB3 GLN A 156 -3.470 3.683 -12.927 1.00 1.55 H new ATOM 0 HG2 GLN A 156 -6.050 4.447 -11.540 1.00 1.90 H new ATOM 0 HG3 GLN A 156 -5.599 2.870 -12.157 1.00 1.90 H new ATOM 0 HE21 GLN A 156 -5.681 1.597 -10.368 1.00 2.47 H new ATOM 0 HE22 GLN A 156 -4.782 1.902 -8.878 1.00 2.47 H new