USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=31 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 52 THR OG1 : rot -139:sc= 0.776 USER MOD Set 1.2: A 156 GLN : amide:sc= -0.377 K(o=0.4,f=-5.5!) USER MOD Set 2.1: A 131 LYS NZ :NH3+ -176:sc= 1.23 (180deg=0) USER MOD Set 2.2: A 133 GLN : amide:sc= 0.45 K(o=1.7,f=-4.8) USER MOD Set 3.1: A 86 LYS NZ :NH3+ -167:sc= 1.08 (180deg=-0.574) USER MOD Set 3.2: A 87 SER OG : rot -26:sc= 1.56 USER MOD Set 4.1: A 68 THR OG1 : rot 180:sc= 0.601 USER MOD Set 4.2: A 70 THR OG1 : rot 140:sc= 0.254 USER MOD Single : A 39 HIS : no HD1:sc= -0.135 K(o=-0.14,f=-5.2!) USER MOD Single : A 40 THR OG1 : rot 139:sc= 1.51 USER MOD Single : A 41 SER OG : rot -30:sc= 1.15 USER MOD Single : A 44 LYS NZ :NH3+ 151:sc= 2.1 (180deg=0.485) USER MOD Single : A 53 TYR OH : rot 180: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+ -174:sc= 1.76 (180deg=1.63) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -166:sc= 2.04 (180deg=1.23) USER MOD Single : A 77 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.2) USER MOD Single : A 79 ASN : amide:sc= 0.211 K(o=0.21,f=-6!) USER MOD Single : A 81 LYS NZ :NH3+ 132:sc= 1.18 (180deg=0.72) USER MOD Single : A 84 HIS : no HE2:sc= -1.45 K(o=-1.5,f=-9.3!) USER MOD Single : A 91 ASN : amide:sc= -1.51 K(o=-1.5,f=-4.8!) USER MOD Single : A 100 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.11) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HE2:sc= -0.991 K(o=-0.99,f=-7.6!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot -148:sc= 1.21 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= 0.271 K(o=0.27,f=-0.53) USER MOD Single : A 117 GLN : amide:sc=-0.00064 X(o=-0.00064,f=-0.056) USER MOD Single : A 120 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.033) USER MOD Single : A 122 SER OG : rot 180:sc= 0.00544 USER MOD Single : A 123 TYR OH : rot 173:sc= 1.3 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 7:sc= 0.811 USER MOD Single : A 142 LYS NZ :NH3+ 173:sc= 1.19 (180deg=0.965) USER MOD Single : A 143 THR OG1 : rot 162:sc= -0.245 USER MOD Single : A 145 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.051) USER MOD Single : A 149 HIS : no HE2:sc= 0.099 K(o=0.099,f=-6.1!) USER MOD Single : A 155 LYS NZ :NH3+ -146:sc= 0.829 (180deg=-3.13!) USER MOD ----------------------------------------------------------------- ATOM 560 N GLY A 37 -8.940 -16.640 -6.717 1.00 3.99 N ATOM 561 CA GLY A 37 -8.925 -15.207 -6.506 1.00 3.27 C ATOM 562 C GLY A 37 -10.192 -14.780 -5.781 1.00 2.57 C ATOM 563 O GLY A 37 -10.117 -14.183 -4.709 1.00 2.89 O ATOM 0 HA2 GLY A 37 -8.049 -14.925 -5.922 1.00 3.27 H new ATOM 0 HA3 GLY A 37 -8.851 -14.690 -7.463 1.00 3.27 H new ATOM 567 N GLU A 38 -11.350 -15.098 -6.361 1.00 2.48 N ATOM 568 CA GLU A 38 -12.667 -14.670 -5.896 1.00 1.91 C ATOM 569 C GLU A 38 -12.859 -13.163 -6.130 1.00 1.65 C ATOM 570 O GLU A 38 -12.522 -12.672 -7.203 1.00 1.62 O ATOM 571 CB GLU A 38 -12.949 -15.122 -4.451 1.00 2.16 C ATOM 572 CG GLU A 38 -12.695 -16.623 -4.248 1.00 2.76 C ATOM 573 CD GLU A 38 -12.785 -16.997 -2.778 1.00 3.65 C ATOM 574 OE1 GLU A 38 -11.779 -17.550 -2.277 1.00 4.94 O ATOM 575 OE2 GLU A 38 -13.833 -16.689 -2.174 1.00 3.68 O ATOM 0 H GLU A 38 -11.397 -15.681 -7.197 1.00 2.48 H new ATOM 0 HA GLU A 38 -13.426 -15.174 -6.494 1.00 1.91 H new ATOM 0 HB2 GLU A 38 -12.320 -14.554 -3.766 1.00 2.16 H new ATOM 0 HB3 GLU A 38 -13.984 -14.894 -4.197 1.00 2.16 H new ATOM 0 HG2 GLU A 38 -13.423 -17.199 -4.819 1.00 2.76 H new ATOM 0 HG3 GLU A 38 -11.709 -16.884 -4.634 1.00 2.76 H new ATOM 582 N HIS A 39 -13.425 -12.415 -5.172 1.00 1.65 N ATOM 583 CA HIS A 39 -13.948 -11.066 -5.388 1.00 1.60 C ATOM 584 C HIS A 39 -12.883 -10.047 -5.789 1.00 1.43 C ATOM 585 O HIS A 39 -13.204 -9.025 -6.393 1.00 1.45 O ATOM 586 CB HIS A 39 -14.747 -10.608 -4.161 1.00 1.88 C ATOM 587 CG HIS A 39 -14.052 -10.855 -2.849 1.00 2.88 C ATOM 588 ND1 HIS A 39 -12.722 -10.632 -2.577 1.00 4.30 N ATOM 589 CD2 HIS A 39 -14.584 -11.523 -1.781 1.00 3.97 C ATOM 590 CE1 HIS A 39 -12.459 -11.173 -1.377 1.00 5.61 C ATOM 591 NE2 HIS A 39 -13.569 -11.703 -0.839 1.00 5.36 N ATOM 0 H HIS A 39 -13.532 -12.739 -4.211 1.00 1.65 H new ATOM 0 HA HIS A 39 -14.617 -11.120 -6.247 1.00 1.60 H new ATOM 0 HB2 HIS A 39 -14.957 -9.542 -4.254 1.00 1.88 H new ATOM 0 HB3 HIS A 39 -15.708 -11.122 -4.154 1.00 1.88 H new ATOM 0 HD2 HIS A 39 -15.608 -11.853 -1.683 1.00 3.97 H new ATOM 0 HE1 HIS A 39 -11.486 -11.181 -0.908 1.00 5.61 H new ATOM 0 HE2 HIS A 39 -13.654 -12.148 0.075 1.00 5.36 H new ATOM 599 N THR A 40 -11.626 -10.335 -5.466 1.00 1.56 N ATOM 600 CA THR A 40 -10.477 -9.592 -5.929 1.00 1.70 C ATOM 601 C THR A 40 -10.493 -9.511 -7.445 1.00 1.35 C ATOM 602 O THR A 40 -10.477 -8.436 -8.038 1.00 1.54 O ATOM 603 CB THR A 40 -9.253 -10.407 -5.481 1.00 2.30 C ATOM 604 OG1 THR A 40 -9.499 -11.763 -5.737 1.00 3.80 O ATOM 605 CG2 THR A 40 -9.079 -10.239 -3.982 1.00 2.61 C ATOM 0 H THR A 40 -11.380 -11.116 -4.857 1.00 1.56 H new ATOM 0 HA THR A 40 -10.467 -8.577 -5.533 1.00 1.70 H new ATOM 0 HB THR A 40 -8.364 -10.068 -6.013 1.00 2.30 H new ATOM 0 HG1 THR A 40 -8.688 -12.180 -6.096 1.00 3.80 H new ATOM 0 HG21 THR A 40 -8.214 -10.812 -3.650 1.00 2.61 H new ATOM 0 HG22 THR A 40 -8.927 -9.185 -3.749 1.00 2.61 H new ATOM 0 HG23 THR A 40 -9.971 -10.599 -3.470 1.00 2.61 H new ATOM 613 N SER A 41 -10.413 -10.685 -8.050 1.00 1.18 N ATOM 614 CA SER A 41 -10.410 -10.883 -9.492 1.00 1.04 C ATOM 615 C SER A 41 -11.793 -10.574 -10.080 1.00 0.98 C ATOM 616 O SER A 41 -11.921 -9.724 -10.961 1.00 0.98 O ATOM 617 CB SER A 41 -9.941 -12.309 -9.837 1.00 1.26 C ATOM 618 OG SER A 41 -9.098 -12.291 -10.974 1.00 2.48 O ATOM 0 H SER A 41 -10.346 -11.560 -7.531 1.00 1.18 H new ATOM 0 HA SER A 41 -9.703 -10.188 -9.945 1.00 1.04 H new ATOM 0 HB2 SER A 41 -9.408 -12.738 -8.989 1.00 1.26 H new ATOM 0 HB3 SER A 41 -10.805 -12.946 -10.027 1.00 1.26 H new ATOM 0 HG SER A 41 -9.354 -11.548 -11.560 1.00 2.48 H new ATOM 624 N PHE A 42 -12.820 -11.287 -9.595 1.00 1.20 N ATOM 625 CA PHE A 42 -14.144 -11.382 -10.207 1.00 1.47 C ATOM 626 C PHE A 42 -14.630 -10.051 -10.774 1.00 1.50 C ATOM 627 O PHE A 42 -15.019 -10.023 -11.942 1.00 1.74 O ATOM 628 CB PHE A 42 -15.176 -12.036 -9.255 1.00 1.79 C ATOM 629 CG PHE A 42 -16.560 -11.394 -9.192 1.00 1.74 C ATOM 630 CD1 PHE A 42 -17.073 -10.937 -7.963 1.00 2.70 C ATOM 631 CD2 PHE A 42 -17.312 -11.189 -10.365 1.00 2.49 C ATOM 632 CE1 PHE A 42 -18.279 -10.221 -7.916 1.00 2.98 C ATOM 633 CE2 PHE A 42 -18.463 -10.385 -10.334 1.00 2.46 C ATOM 634 CZ PHE A 42 -18.966 -9.925 -9.105 1.00 2.10 C ATOM 0 H PHE A 42 -12.744 -11.831 -8.735 1.00 1.20 H new ATOM 0 HA PHE A 42 -14.042 -12.048 -11.064 1.00 1.47 H new ATOM 0 HB2 PHE A 42 -15.298 -13.078 -9.551 1.00 1.79 H new ATOM 0 HB3 PHE A 42 -14.756 -12.038 -8.249 1.00 1.79 H new ATOM 0 HD1 PHE A 42 -16.534 -11.139 -7.049 1.00 2.70 H new ATOM 0 HD2 PHE A 42 -17.003 -11.651 -11.291 1.00 2.49 H new ATOM 0 HE1 PHE A 42 -18.679 -9.898 -6.966 1.00 2.98 H new ATOM 0 HE2 PHE A 42 -18.962 -10.120 -11.255 1.00 2.46 H new ATOM 0 HZ PHE A 42 -19.877 -9.346 -9.075 1.00 2.10 H new ATOM 644 N ASP A 43 -14.643 -8.988 -9.952 1.00 1.46 N ATOM 645 CA ASP A 43 -15.355 -7.750 -10.258 1.00 1.75 C ATOM 646 C ASP A 43 -15.205 -7.347 -11.723 1.00 1.74 C ATOM 647 O ASP A 43 -16.205 -7.019 -12.363 1.00 2.35 O ATOM 648 CB ASP A 43 -14.920 -6.598 -9.344 1.00 1.87 C ATOM 649 CG ASP A 43 -15.773 -5.371 -9.634 1.00 2.22 C ATOM 650 OD1 ASP A 43 -16.966 -5.401 -9.270 1.00 3.14 O ATOM 651 OD2 ASP A 43 -15.290 -4.449 -10.326 1.00 2.54 O ATOM 0 H ASP A 43 -14.157 -8.970 -9.056 1.00 1.46 H new ATOM 0 HA ASP A 43 -16.409 -7.953 -10.071 1.00 1.75 H new ATOM 0 HB2 ASP A 43 -15.026 -6.889 -8.299 1.00 1.87 H new ATOM 0 HB3 ASP A 43 -13.867 -6.369 -9.506 1.00 1.87 H new ATOM 656 N LYS A 44 -13.964 -7.363 -12.224 1.00 1.24 N ATOM 657 CA LYS A 44 -13.590 -7.201 -13.632 1.00 1.28 C ATOM 658 C LYS A 44 -12.061 -7.102 -13.758 1.00 1.34 C ATOM 659 O LYS A 44 -11.559 -6.263 -14.503 1.00 1.67 O ATOM 660 CB LYS A 44 -14.297 -5.989 -14.284 1.00 1.51 C ATOM 661 CG LYS A 44 -14.100 -4.708 -13.460 1.00 2.54 C ATOM 662 CD LYS A 44 -15.006 -3.546 -13.891 1.00 2.83 C ATOM 663 CE LYS A 44 -16.514 -3.782 -13.697 1.00 3.09 C ATOM 664 NZ LYS A 44 -16.833 -4.408 -12.398 1.00 3.85 N ATOM 0 H LYS A 44 -13.150 -7.497 -11.624 1.00 1.24 H new ATOM 0 HA LYS A 44 -13.927 -8.082 -14.178 1.00 1.28 H new ATOM 0 HB2 LYS A 44 -13.907 -5.838 -15.291 1.00 1.51 H new ATOM 0 HB3 LYS A 44 -15.362 -6.198 -14.383 1.00 1.51 H new ATOM 0 HG2 LYS A 44 -14.287 -4.931 -12.410 1.00 2.54 H new ATOM 0 HG3 LYS A 44 -13.059 -4.393 -13.539 1.00 2.54 H new ATOM 0 HD2 LYS A 44 -14.719 -2.656 -13.331 1.00 2.83 H new ATOM 0 HD3 LYS A 44 -14.821 -3.333 -14.944 1.00 2.83 H new ATOM 0 HE2 LYS A 44 -17.039 -2.830 -13.775 1.00 3.09 H new ATOM 0 HE3 LYS A 44 -16.884 -4.417 -14.502 1.00 3.09 H new ATOM 0 HZ1 LYS A 44 -17.784 -4.115 -12.095 1.00 3.85 H new ATOM 0 HZ2 LYS A 44 -16.805 -5.443 -12.495 1.00 3.85 H new ATOM 0 HZ3 LYS A 44 -16.136 -4.108 -11.687 1.00 3.85 H new ATOM 678 N LEU A 45 -11.314 -7.928 -13.016 1.00 1.27 N ATOM 679 CA LEU A 45 -9.862 -7.833 -12.907 1.00 1.38 C ATOM 680 C LEU A 45 -9.251 -9.205 -13.240 1.00 1.43 C ATOM 681 O LEU A 45 -9.723 -10.217 -12.720 1.00 2.08 O ATOM 682 CB LEU A 45 -9.495 -7.359 -11.489 1.00 1.56 C ATOM 683 CG LEU A 45 -9.918 -5.897 -11.236 1.00 1.43 C ATOM 684 CD1 LEU A 45 -10.182 -5.633 -9.749 1.00 1.52 C ATOM 685 CD2 LEU A 45 -8.852 -4.916 -11.735 1.00 2.14 C ATOM 0 H LEU A 45 -11.712 -8.691 -12.468 1.00 1.27 H new ATOM 0 HA LEU A 45 -9.459 -7.106 -13.612 1.00 1.38 H new ATOM 0 HB2 LEU A 45 -9.975 -8.007 -10.756 1.00 1.56 H new ATOM 0 HB3 LEU A 45 -8.419 -7.455 -11.343 1.00 1.56 H new ATOM 0 HG LEU A 45 -10.842 -5.740 -11.792 1.00 1.43 H new ATOM 0 HD11 LEU A 45 -10.477 -4.593 -9.611 1.00 1.52 H new ATOM 0 HD12 LEU A 45 -10.981 -6.287 -9.400 1.00 1.52 H new ATOM 0 HD13 LEU A 45 -9.275 -5.831 -9.178 1.00 1.52 H new ATOM 0 HD21 LEU A 45 -9.179 -3.894 -11.543 1.00 2.14 H new ATOM 0 HD22 LEU A 45 -7.914 -5.101 -11.212 1.00 2.14 H new ATOM 0 HD23 LEU A 45 -8.704 -5.054 -12.806 1.00 2.14 H new ATOM 697 N PRO A 46 -8.239 -9.271 -14.124 1.00 1.12 N ATOM 698 CA PRO A 46 -7.610 -10.525 -14.526 1.00 1.29 C ATOM 699 C PRO A 46 -6.700 -11.047 -13.409 1.00 1.32 C ATOM 700 O PRO A 46 -6.690 -10.500 -12.309 1.00 1.48 O ATOM 701 CB PRO A 46 -6.816 -10.164 -15.788 1.00 1.59 C ATOM 702 CG PRO A 46 -6.392 -8.721 -15.520 1.00 1.64 C ATOM 703 CD PRO A 46 -7.615 -8.148 -14.809 1.00 1.34 C ATOM 0 HA PRO A 46 -8.329 -11.322 -14.718 1.00 1.29 H new ATOM 0 HB2 PRO A 46 -5.956 -10.819 -15.926 1.00 1.59 H new ATOM 0 HB3 PRO A 46 -7.427 -10.246 -16.687 1.00 1.59 H new ATOM 0 HG2 PRO A 46 -5.499 -8.669 -14.898 1.00 1.64 H new ATOM 0 HG3 PRO A 46 -6.170 -8.185 -16.443 1.00 1.64 H new ATOM 0 HD2 PRO A 46 -7.327 -7.370 -14.102 1.00 1.34 H new ATOM 0 HD3 PRO A 46 -8.304 -7.693 -15.521 1.00 1.34 H new ATOM 711 N GLU A 47 -5.895 -12.069 -13.702 1.00 1.92 N ATOM 712 CA GLU A 47 -4.857 -12.551 -12.810 1.00 2.48 C ATOM 713 C GLU A 47 -3.677 -11.576 -12.788 1.00 2.15 C ATOM 714 O GLU A 47 -3.168 -11.207 -11.733 1.00 3.34 O ATOM 715 CB GLU A 47 -4.454 -13.990 -13.172 1.00 3.42 C ATOM 716 CG GLU A 47 -3.751 -14.240 -14.525 1.00 3.78 C ATOM 717 CD GLU A 47 -4.692 -14.340 -15.722 1.00 4.30 C ATOM 718 OE1 GLU A 47 -5.430 -13.359 -15.973 1.00 5.02 O ATOM 719 OE2 GLU A 47 -4.662 -15.404 -16.373 1.00 4.79 O ATOM 0 H GLU A 47 -5.952 -12.587 -14.579 1.00 1.92 H new ATOM 0 HA GLU A 47 -5.244 -12.591 -11.792 1.00 2.48 H new ATOM 0 HB2 GLU A 47 -3.797 -14.359 -12.384 1.00 3.42 H new ATOM 0 HB3 GLU A 47 -5.355 -14.603 -13.148 1.00 3.42 H new ATOM 0 HG2 GLU A 47 -3.041 -13.433 -14.705 1.00 3.78 H new ATOM 0 HG3 GLU A 47 -3.175 -15.162 -14.455 1.00 3.78 H new ATOM 726 N GLY A 48 -3.264 -11.111 -13.968 1.00 1.35 N ATOM 727 CA GLY A 48 -2.189 -10.153 -14.141 1.00 1.55 C ATOM 728 C GLY A 48 -0.933 -10.523 -13.345 1.00 1.06 C ATOM 729 O GLY A 48 -0.545 -11.693 -13.282 1.00 2.42 O ATOM 0 H GLY A 48 -3.685 -11.403 -14.850 1.00 1.35 H new ATOM 0 HA2 GLY A 48 -1.936 -10.084 -15.199 1.00 1.55 H new ATOM 0 HA3 GLY A 48 -2.533 -9.167 -13.830 1.00 1.55 H new ATOM 733 N GLY A 49 -0.297 -9.503 -12.765 1.00 1.20 N ATOM 734 CA GLY A 49 0.977 -9.633 -12.061 1.00 1.18 C ATOM 735 C GLY A 49 1.458 -8.329 -11.411 1.00 1.25 C ATOM 736 O GLY A 49 2.086 -8.363 -10.356 1.00 1.85 O ATOM 0 H GLY A 49 -0.660 -8.550 -12.772 1.00 1.20 H new ATOM 0 HA2 GLY A 49 0.880 -10.398 -11.291 1.00 1.18 H new ATOM 0 HA3 GLY A 49 1.736 -9.981 -12.762 1.00 1.18 H new ATOM 740 N ARG A 50 1.199 -7.180 -12.048 1.00 0.95 N ATOM 741 CA ARG A 50 1.655 -5.871 -11.580 1.00 0.99 C ATOM 742 C ARG A 50 0.680 -4.762 -11.987 1.00 1.11 C ATOM 743 O ARG A 50 0.856 -4.139 -13.031 1.00 1.87 O ATOM 744 CB ARG A 50 3.102 -5.606 -12.035 1.00 1.16 C ATOM 745 CG ARG A 50 3.378 -5.898 -13.518 1.00 1.77 C ATOM 746 CD ARG A 50 4.838 -5.565 -13.848 1.00 2.21 C ATOM 747 NE ARG A 50 5.139 -5.840 -15.262 1.00 3.57 N ATOM 748 CZ ARG A 50 6.340 -5.669 -15.837 1.00 4.81 C ATOM 749 NH1 ARG A 50 7.362 -5.196 -15.114 1.00 5.04 N ATOM 750 NH2 ARG A 50 6.515 -5.969 -17.129 1.00 6.26 N ATOM 0 H ARG A 50 0.660 -7.136 -12.913 1.00 0.95 H new ATOM 0 HA ARG A 50 1.666 -5.873 -10.490 1.00 0.99 H new ATOM 0 HB2 ARG A 50 3.345 -4.563 -11.834 1.00 1.16 H new ATOM 0 HB3 ARG A 50 3.775 -6.213 -11.429 1.00 1.16 H new ATOM 0 HG2 ARG A 50 3.176 -6.947 -13.736 1.00 1.77 H new ATOM 0 HG3 ARG A 50 2.710 -5.308 -14.145 1.00 1.77 H new ATOM 0 HD2 ARG A 50 5.033 -4.515 -13.629 1.00 2.21 H new ATOM 0 HD3 ARG A 50 5.501 -6.151 -13.211 1.00 2.21 H new ATOM 0 HE ARG A 50 4.379 -6.186 -15.848 1.00 3.57 H new ATOM 0 HH11 ARG A 50 7.227 -4.967 -14.129 1.00 5.04 H new ATOM 0 HH12 ARG A 50 8.276 -5.065 -15.548 1.00 5.04 H new ATOM 0 HH21 ARG A 50 5.735 -6.328 -17.679 1.00 6.26 H new ATOM 0 HH22 ARG A 50 7.428 -5.838 -17.564 1.00 6.26 H new ATOM 764 N ALA A 51 -0.354 -4.501 -11.175 1.00 0.81 N ATOM 765 CA ALA A 51 -1.336 -3.481 -11.519 1.00 0.79 C ATOM 766 C ALA A 51 -0.807 -2.086 -11.247 1.00 0.76 C ATOM 767 O ALA A 51 0.065 -1.867 -10.409 1.00 1.47 O ATOM 768 CB ALA A 51 -2.681 -3.627 -10.797 1.00 1.36 C ATOM 0 H ALA A 51 -0.525 -4.978 -10.290 1.00 0.81 H new ATOM 0 HA ALA A 51 -1.511 -3.631 -12.584 1.00 0.79 H new ATOM 0 HB1 ALA A 51 -3.352 -2.827 -11.112 1.00 1.36 H new ATOM 0 HB2 ALA A 51 -3.124 -4.591 -11.045 1.00 1.36 H new ATOM 0 HB3 ALA A 51 -2.524 -3.566 -9.720 1.00 1.36 H new ATOM 774 N THR A 52 -1.424 -1.153 -11.961 1.00 0.62 N ATOM 775 CA THR A 52 -1.011 0.217 -12.183 1.00 0.69 C ATOM 776 C THR A 52 -1.341 1.088 -10.957 1.00 0.86 C ATOM 777 O THR A 52 -2.046 2.086 -11.047 1.00 1.21 O ATOM 778 CB THR A 52 -1.703 0.646 -13.502 1.00 0.89 C ATOM 779 OG1 THR A 52 -1.410 1.982 -13.858 1.00 1.27 O ATOM 780 CG2 THR A 52 -3.228 0.398 -13.518 1.00 1.00 C ATOM 0 H THR A 52 -2.301 -1.359 -12.439 1.00 0.62 H new ATOM 0 HA THR A 52 0.067 0.335 -12.295 1.00 0.69 H new ATOM 0 HB THR A 52 -1.274 -0.009 -14.260 1.00 0.89 H new ATOM 0 HG1 THR A 52 -2.220 2.414 -14.201 1.00 1.27 H new ATOM 0 HG21 THR A 52 -3.640 0.724 -14.473 1.00 1.00 H new ATOM 0 HG22 THR A 52 -3.425 -0.665 -13.382 1.00 1.00 H new ATOM 0 HG23 THR A 52 -3.697 0.960 -12.710 1.00 1.00 H new ATOM 788 N TYR A 53 -0.817 0.737 -9.778 1.00 1.17 N ATOM 789 CA TYR A 53 -1.095 1.472 -8.543 1.00 1.57 C ATOM 790 C TYR A 53 -0.036 2.561 -8.330 1.00 1.53 C ATOM 791 O TYR A 53 0.757 2.497 -7.395 1.00 2.13 O ATOM 792 CB TYR A 53 -1.190 0.512 -7.347 1.00 1.88 C ATOM 793 CG TYR A 53 -2.387 -0.426 -7.280 1.00 1.75 C ATOM 794 CD1 TYR A 53 -2.654 -1.075 -6.061 1.00 2.57 C ATOM 795 CD2 TYR A 53 -3.250 -0.642 -8.375 1.00 2.63 C ATOM 796 CE1 TYR A 53 -3.726 -1.978 -5.955 1.00 2.78 C ATOM 797 CE2 TYR A 53 -4.300 -1.569 -8.279 1.00 3.27 C ATOM 798 CZ TYR A 53 -4.528 -2.252 -7.073 1.00 2.83 C ATOM 799 OH TYR A 53 -5.466 -3.240 -7.013 1.00 3.62 O ATOM 0 H TYR A 53 -0.192 -0.060 -9.655 1.00 1.17 H new ATOM 0 HA TYR A 53 -2.063 1.965 -8.630 1.00 1.57 H new ATOM 0 HB2 TYR A 53 -0.286 -0.098 -7.335 1.00 1.88 H new ATOM 0 HB3 TYR A 53 -1.183 1.111 -6.436 1.00 1.88 H new ATOM 0 HD1 TYR A 53 -2.031 -0.878 -5.201 1.00 2.57 H new ATOM 0 HD2 TYR A 53 -3.102 -0.091 -9.292 1.00 2.63 H new ATOM 0 HE1 TYR A 53 -3.933 -2.462 -5.012 1.00 2.78 H new ATOM 0 HE2 TYR A 53 -4.933 -1.757 -9.133 1.00 3.27 H new ATOM 0 HH TYR A 53 -5.935 -3.299 -7.872 1.00 3.62 H new ATOM 809 N ARG A 54 -0.026 3.577 -9.197 1.00 1.17 N ATOM 810 CA ARG A 54 0.870 4.722 -9.062 1.00 1.02 C ATOM 811 C ARG A 54 0.324 5.698 -8.029 1.00 0.79 C ATOM 812 O ARG A 54 -0.669 6.364 -8.330 1.00 0.94 O ATOM 813 CB ARG A 54 0.958 5.471 -10.395 1.00 1.28 C ATOM 814 CG ARG A 54 1.842 4.697 -11.381 1.00 1.50 C ATOM 815 CD ARG A 54 2.280 5.540 -12.586 1.00 1.63 C ATOM 816 NE ARG A 54 1.267 5.565 -13.658 1.00 2.53 N ATOM 817 CZ ARG A 54 0.167 6.335 -13.724 1.00 3.73 C ATOM 818 NH1 ARG A 54 -0.059 7.266 -12.787 1.00 4.46 N ATOM 819 NH2 ARG A 54 -0.692 6.138 -14.727 1.00 4.96 N ATOM 0 H ARG A 54 -0.639 3.626 -10.011 1.00 1.17 H new ATOM 0 HA ARG A 54 1.849 4.352 -8.758 1.00 1.02 H new ATOM 0 HB2 ARG A 54 -0.040 5.600 -10.814 1.00 1.28 H new ATOM 0 HB3 ARG A 54 1.368 6.468 -10.234 1.00 1.28 H new ATOM 0 HG2 ARG A 54 2.727 4.334 -10.858 1.00 1.50 H new ATOM 0 HG3 ARG A 54 1.299 3.821 -11.736 1.00 1.50 H new ATOM 0 HD2 ARG A 54 2.482 6.560 -12.258 1.00 1.63 H new ATOM 0 HD3 ARG A 54 3.214 5.142 -12.983 1.00 1.63 H new ATOM 0 HE ARG A 54 1.418 4.925 -14.438 1.00 2.53 H new ATOM 0 HH11 ARG A 54 0.604 7.391 -12.022 1.00 4.46 H new ATOM 0 HH12 ARG A 54 -0.894 7.849 -12.839 1.00 4.46 H new ATOM 0 HH21 ARG A 54 -0.507 5.415 -15.423 1.00 4.96 H new ATOM 0 HH22 ARG A 54 -1.533 6.710 -14.798 1.00 4.96 H new ATOM 833 N GLY A 55 0.963 5.836 -6.860 1.00 0.65 N ATOM 834 CA GLY A 55 0.445 6.745 -5.849 1.00 0.57 C ATOM 835 C GLY A 55 1.487 7.449 -5.001 1.00 0.52 C ATOM 836 O GLY A 55 2.686 7.201 -5.107 1.00 0.54 O ATOM 0 H GLY A 55 1.817 5.341 -6.602 1.00 0.65 H new ATOM 0 HA2 GLY A 55 -0.164 7.501 -6.344 1.00 0.57 H new ATOM 0 HA3 GLY A 55 -0.217 6.185 -5.188 1.00 0.57 H new ATOM 840 N THR A 56 0.983 8.346 -4.156 1.00 0.69 N ATOM 841 CA THR A 56 1.751 9.222 -3.291 1.00 0.91 C ATOM 842 C THR A 56 1.198 9.059 -1.882 1.00 1.03 C ATOM 843 O THR A 56 -0.021 9.045 -1.707 1.00 1.15 O ATOM 844 CB THR A 56 1.606 10.670 -3.781 1.00 1.22 C ATOM 845 OG1 THR A 56 2.050 10.747 -5.121 1.00 2.96 O ATOM 846 CG2 THR A 56 2.416 11.664 -2.944 1.00 1.89 C ATOM 0 H THR A 56 -0.023 8.484 -4.055 1.00 0.69 H new ATOM 0 HA THR A 56 2.812 8.972 -3.302 1.00 0.91 H new ATOM 0 HB THR A 56 0.554 10.939 -3.689 1.00 1.22 H new ATOM 0 HG1 THR A 56 1.959 11.668 -5.443 1.00 2.96 H new ATOM 0 HG21 THR A 56 2.275 12.671 -3.337 1.00 1.89 H new ATOM 0 HG22 THR A 56 2.078 11.628 -1.908 1.00 1.89 H new ATOM 0 HG23 THR A 56 3.473 11.402 -2.990 1.00 1.89 H new ATOM 854 N ALA A 57 2.095 8.942 -0.899 1.00 1.17 N ATOM 855 CA ALA A 57 1.767 8.958 0.512 1.00 1.45 C ATOM 856 C ALA A 57 2.204 10.300 1.089 1.00 1.67 C ATOM 857 O ALA A 57 3.205 10.870 0.652 1.00 2.62 O ATOM 858 CB ALA A 57 2.430 7.774 1.220 1.00 1.55 C ATOM 0 H ALA A 57 3.093 8.831 -1.077 1.00 1.17 H new ATOM 0 HA ALA A 57 0.693 8.850 0.663 1.00 1.45 H new ATOM 0 HB1 ALA A 57 2.177 7.796 2.280 1.00 1.55 H new ATOM 0 HB2 ALA A 57 2.074 6.842 0.781 1.00 1.55 H new ATOM 0 HB3 ALA A 57 3.512 7.840 1.104 1.00 1.55 H new ATOM 864 N PHE A 58 1.435 10.809 2.049 1.00 1.16 N ATOM 865 CA PHE A 58 1.679 12.062 2.740 1.00 1.28 C ATOM 866 C PHE A 58 1.543 11.799 4.238 1.00 1.09 C ATOM 867 O PHE A 58 0.604 11.127 4.675 1.00 0.90 O ATOM 868 CB PHE A 58 0.716 13.149 2.245 1.00 1.48 C ATOM 869 CG PHE A 58 -0.722 12.993 2.698 1.00 1.42 C ATOM 870 CD1 PHE A 58 -1.579 12.078 2.059 1.00 1.90 C ATOM 871 CD2 PHE A 58 -1.175 13.712 3.820 1.00 2.46 C ATOM 872 CE1 PHE A 58 -2.881 11.872 2.548 1.00 2.18 C ATOM 873 CE2 PHE A 58 -2.469 13.491 4.321 1.00 2.46 C ATOM 874 CZ PHE A 58 -3.322 12.571 3.686 1.00 1.77 C ATOM 0 H PHE A 58 0.592 10.337 2.376 1.00 1.16 H new ATOM 0 HA PHE A 58 2.683 12.433 2.533 1.00 1.28 H new ATOM 0 HB2 PHE A 58 1.083 14.118 2.583 1.00 1.48 H new ATOM 0 HB3 PHE A 58 0.737 13.162 1.155 1.00 1.48 H new ATOM 0 HD1 PHE A 58 -1.236 11.533 1.192 1.00 1.90 H new ATOM 0 HD2 PHE A 58 -0.528 14.434 4.296 1.00 2.46 H new ATOM 0 HE1 PHE A 58 -3.542 11.178 2.050 1.00 2.18 H new ATOM 0 HE2 PHE A 58 -2.809 14.028 5.194 1.00 2.46 H new ATOM 0 HZ PHE A 58 -4.316 12.401 4.072 1.00 1.77 H new ATOM 884 N GLY A 59 2.519 12.268 5.014 1.00 1.15 N ATOM 885 CA GLY A 59 2.481 12.201 6.464 1.00 1.18 C ATOM 886 C GLY A 59 1.646 13.353 7.007 1.00 1.25 C ATOM 887 O GLY A 59 1.449 14.348 6.317 1.00 1.29 O ATOM 0 H GLY A 59 3.363 12.708 4.646 1.00 1.15 H new ATOM 0 HA2 GLY A 59 2.057 11.249 6.783 1.00 1.18 H new ATOM 0 HA3 GLY A 59 3.493 12.250 6.867 1.00 1.18 H new ATOM 891 N SER A 60 1.253 13.283 8.278 1.00 1.33 N ATOM 892 CA SER A 60 0.853 14.474 9.029 1.00 1.45 C ATOM 893 C SER A 60 1.922 15.575 8.886 1.00 1.32 C ATOM 894 O SER A 60 1.604 16.753 8.760 1.00 1.48 O ATOM 895 CB SER A 60 0.621 14.086 10.494 1.00 1.54 C ATOM 896 OG SER A 60 0.005 15.139 11.208 1.00 2.22 O ATOM 0 H SER A 60 1.203 12.414 8.810 1.00 1.33 H new ATOM 0 HA SER A 60 -0.078 14.876 8.630 1.00 1.45 H new ATOM 0 HB2 SER A 60 -0.005 13.195 10.543 1.00 1.54 H new ATOM 0 HB3 SER A 60 1.573 13.833 10.962 1.00 1.54 H new ATOM 0 HG SER A 60 -0.133 14.866 12.139 1.00 2.22 H new ATOM 902 N ASP A 61 3.197 15.164 8.863 1.00 1.16 N ATOM 903 CA ASP A 61 4.363 16.025 8.671 1.00 1.14 C ATOM 904 C ASP A 61 4.649 16.312 7.181 1.00 1.08 C ATOM 905 O ASP A 61 5.691 16.861 6.839 1.00 1.04 O ATOM 906 CB ASP A 61 5.544 15.298 9.337 1.00 1.17 C ATOM 907 CG ASP A 61 6.811 16.140 9.430 1.00 1.45 C ATOM 908 OD1 ASP A 61 7.865 15.610 9.014 1.00 2.13 O ATOM 909 OD2 ASP A 61 6.711 17.258 9.978 1.00 2.24 O ATOM 0 H ASP A 61 3.450 14.183 8.983 1.00 1.16 H new ATOM 0 HA ASP A 61 4.189 17.003 9.119 1.00 1.14 H new ATOM 0 HB2 ASP A 61 5.250 14.989 10.340 1.00 1.17 H new ATOM 0 HB3 ASP A 61 5.763 14.390 8.775 1.00 1.17 H new ATOM 914 N ASP A 62 3.763 15.874 6.275 1.00 1.19 N ATOM 915 CA ASP A 62 3.944 15.854 4.823 1.00 1.49 C ATOM 916 C ASP A 62 5.308 15.327 4.383 1.00 1.40 C ATOM 917 O ASP A 62 5.847 15.699 3.341 1.00 1.62 O ATOM 918 CB ASP A 62 3.538 17.191 4.177 1.00 2.08 C ATOM 919 CG ASP A 62 2.035 17.285 3.953 1.00 3.69 C ATOM 920 OD1 ASP A 62 1.516 16.391 3.249 1.00 3.86 O ATOM 921 OD2 ASP A 62 1.437 18.258 4.458 1.00 5.28 O ATOM 0 H ASP A 62 2.854 15.505 6.554 1.00 1.19 H new ATOM 0 HA ASP A 62 3.247 15.114 4.431 1.00 1.49 H new ATOM 0 HB2 ASP A 62 3.861 18.014 4.814 1.00 2.08 H new ATOM 0 HB3 ASP A 62 4.054 17.304 3.224 1.00 2.08 H new ATOM 926 N ALA A 63 5.817 14.351 5.135 1.00 1.28 N ATOM 927 CA ALA A 63 7.085 13.701 4.869 1.00 1.33 C ATOM 928 C ALA A 63 6.811 12.241 4.523 1.00 1.12 C ATOM 929 O ALA A 63 7.356 11.328 5.136 1.00 1.11 O ATOM 930 CB ALA A 63 7.897 13.837 6.152 1.00 1.47 C ATOM 0 H ALA A 63 5.343 13.988 5.962 1.00 1.28 H new ATOM 0 HA ALA A 63 7.631 14.140 4.034 1.00 1.33 H new ATOM 0 HB1 ALA A 63 8.870 13.365 6.018 1.00 1.47 H new ATOM 0 HB2 ALA A 63 8.035 14.893 6.385 1.00 1.47 H new ATOM 0 HB3 ALA A 63 7.367 13.351 6.971 1.00 1.47 H new ATOM 936 N GLY A 64 5.966 12.021 3.515 1.00 1.06 N ATOM 937 CA GLY A 64 5.443 10.699 3.212 1.00 0.93 C ATOM 938 C GLY A 64 6.182 10.055 2.036 1.00 0.76 C ATOM 939 O GLY A 64 6.911 10.717 1.292 1.00 1.01 O ATOM 0 H GLY A 64 5.629 12.754 2.891 1.00 1.06 H new ATOM 0 HA2 GLY A 64 5.533 10.061 4.092 1.00 0.93 H new ATOM 0 HA3 GLY A 64 4.381 10.772 2.978 1.00 0.93 H new ATOM 943 N GLY A 65 5.967 8.753 1.852 1.00 0.82 N ATOM 944 CA GLY A 65 6.555 7.926 0.812 1.00 0.93 C ATOM 945 C GLY A 65 5.850 8.103 -0.522 1.00 0.67 C ATOM 946 O GLY A 65 4.930 8.916 -0.643 1.00 0.94 O ATOM 0 H GLY A 65 5.343 8.223 2.460 1.00 0.82 H new ATOM 0 HA2 GLY A 65 7.610 8.178 0.701 1.00 0.93 H new ATOM 0 HA3 GLY A 65 6.507 6.879 1.111 1.00 0.93 H new ATOM 950 N LYS A 66 6.314 7.414 -1.565 1.00 0.71 N ATOM 951 CA LYS A 66 5.441 7.170 -2.710 1.00 0.77 C ATOM 952 C LYS A 66 5.187 5.672 -2.880 1.00 0.61 C ATOM 953 O LYS A 66 5.925 4.860 -2.334 1.00 0.94 O ATOM 954 CB LYS A 66 5.976 7.872 -3.958 1.00 1.16 C ATOM 955 CG LYS A 66 5.820 9.402 -3.848 1.00 1.76 C ATOM 956 CD LYS A 66 7.123 10.180 -3.585 1.00 2.72 C ATOM 957 CE LYS A 66 7.535 10.395 -2.119 1.00 4.00 C ATOM 958 NZ LYS A 66 6.479 11.029 -1.298 1.00 6.20 N ATOM 0 H LYS A 66 7.255 7.028 -1.641 1.00 0.71 H new ATOM 0 HA LYS A 66 4.461 7.613 -2.530 1.00 0.77 H new ATOM 0 HB2 LYS A 66 7.027 7.620 -4.097 1.00 1.16 H new ATOM 0 HB3 LYS A 66 5.443 7.512 -4.838 1.00 1.16 H new ATOM 0 HG2 LYS A 66 5.375 9.773 -4.772 1.00 1.76 H new ATOM 0 HG3 LYS A 66 5.117 9.622 -3.045 1.00 1.76 H new ATOM 0 HD2 LYS A 66 7.935 9.657 -4.090 1.00 2.72 H new ATOM 0 HD3 LYS A 66 7.032 11.159 -4.056 1.00 2.72 H new ATOM 0 HE2 LYS A 66 7.799 9.433 -1.679 1.00 4.00 H new ATOM 0 HE3 LYS A 66 8.430 11.016 -2.088 1.00 4.00 H new ATOM 0 HZ1 LYS A 66 6.854 11.238 -0.351 1.00 6.20 H new ATOM 0 HZ2 LYS A 66 6.171 11.913 -1.751 1.00 6.20 H new ATOM 0 HZ3 LYS A 66 5.669 10.382 -1.214 1.00 6.20 H new ATOM 972 N LEU A 67 4.092 5.329 -3.564 1.00 0.49 N ATOM 973 CA LEU A 67 3.563 3.979 -3.705 1.00 0.50 C ATOM 974 C LEU A 67 3.812 3.517 -5.138 1.00 0.54 C ATOM 975 O LEU A 67 3.299 4.129 -6.081 1.00 0.81 O ATOM 976 CB LEU A 67 2.054 3.991 -3.403 1.00 0.55 C ATOM 977 CG LEU A 67 1.433 2.582 -3.431 1.00 0.65 C ATOM 978 CD1 LEU A 67 1.631 1.872 -2.087 1.00 0.77 C ATOM 979 CD2 LEU A 67 -0.064 2.660 -3.745 1.00 0.78 C ATOM 0 H LEU A 67 3.527 6.021 -4.056 1.00 0.49 H new ATOM 0 HA LEU A 67 4.053 3.298 -3.009 1.00 0.50 H new ATOM 0 HB2 LEU A 67 1.887 4.438 -2.423 1.00 0.55 H new ATOM 0 HB3 LEU A 67 1.546 4.622 -4.132 1.00 0.55 H new ATOM 0 HG LEU A 67 1.937 2.013 -4.212 1.00 0.65 H new ATOM 0 HD11 LEU A 67 1.184 0.879 -2.131 1.00 0.77 H new ATOM 0 HD12 LEU A 67 2.697 1.781 -1.877 1.00 0.77 H new ATOM 0 HD13 LEU A 67 1.153 2.450 -1.296 1.00 0.77 H new ATOM 0 HD21 LEU A 67 -0.485 1.655 -3.761 1.00 0.78 H new ATOM 0 HD22 LEU A 67 -0.566 3.252 -2.980 1.00 0.78 H new ATOM 0 HD23 LEU A 67 -0.208 3.129 -4.719 1.00 0.78 H new ATOM 991 N THR A 68 4.587 2.443 -5.297 1.00 0.54 N ATOM 992 CA THR A 68 4.860 1.850 -6.590 1.00 0.63 C ATOM 993 C THR A 68 3.692 0.977 -7.042 1.00 0.80 C ATOM 994 O THR A 68 2.938 0.438 -6.233 1.00 1.21 O ATOM 995 CB THR A 68 6.159 1.037 -6.508 1.00 1.00 C ATOM 996 OG1 THR A 68 6.108 0.118 -5.429 1.00 2.52 O ATOM 997 CG2 THR A 68 7.344 1.990 -6.327 1.00 1.39 C ATOM 0 H THR A 68 5.042 1.963 -4.521 1.00 0.54 H new ATOM 0 HA THR A 68 4.982 2.640 -7.331 1.00 0.63 H new ATOM 0 HB THR A 68 6.281 0.473 -7.432 1.00 1.00 H new ATOM 0 HG1 THR A 68 6.944 -0.392 -5.394 1.00 2.52 H new ATOM 0 HG21 THR A 68 8.268 1.415 -6.268 1.00 1.39 H new ATOM 0 HG22 THR A 68 7.395 2.673 -7.175 1.00 1.39 H new ATOM 0 HG23 THR A 68 7.214 2.562 -5.408 1.00 1.39 H new ATOM 1005 N TYR A 69 3.590 0.803 -8.359 1.00 0.67 N ATOM 1006 CA TYR A 69 2.597 -0.052 -8.972 1.00 0.80 C ATOM 1007 C TYR A 69 3.090 -1.496 -8.824 1.00 0.68 C ATOM 1008 O TYR A 69 4.099 -1.873 -9.420 1.00 0.63 O ATOM 1009 CB TYR A 69 2.378 0.425 -10.416 1.00 0.91 C ATOM 1010 CG TYR A 69 3.537 0.270 -11.383 1.00 0.85 C ATOM 1011 CD1 TYR A 69 4.510 1.281 -11.501 1.00 2.09 C ATOM 1012 CD2 TYR A 69 3.607 -0.867 -12.212 1.00 1.94 C ATOM 1013 CE1 TYR A 69 5.583 1.124 -12.395 1.00 2.22 C ATOM 1014 CE2 TYR A 69 4.677 -1.019 -13.109 1.00 2.07 C ATOM 1015 CZ TYR A 69 5.672 -0.033 -13.190 1.00 1.35 C ATOM 1016 OH TYR A 69 6.716 -0.201 -14.050 1.00 1.79 O ATOM 0 H TYR A 69 4.206 1.261 -9.031 1.00 0.67 H new ATOM 0 HA TYR A 69 1.617 -0.006 -8.497 1.00 0.80 H new ATOM 0 HB2 TYR A 69 1.524 -0.115 -10.824 1.00 0.91 H new ATOM 0 HB3 TYR A 69 2.103 1.479 -10.385 1.00 0.91 H new ATOM 0 HD1 TYR A 69 4.432 2.178 -10.904 1.00 2.09 H new ATOM 0 HD2 TYR A 69 2.837 -1.622 -12.158 1.00 1.94 H new ATOM 0 HE1 TYR A 69 6.339 1.891 -12.472 1.00 2.22 H new ATOM 0 HE2 TYR A 69 4.734 -1.896 -13.737 1.00 2.07 H new ATOM 0 HH TYR A 69 6.619 -1.056 -14.519 1.00 1.79 H new ATOM 1026 N THR A 70 2.502 -2.269 -7.902 1.00 0.67 N ATOM 1027 CA THR A 70 3.124 -3.508 -7.436 1.00 0.64 C ATOM 1028 C THR A 70 2.099 -4.499 -6.880 1.00 0.60 C ATOM 1029 O THR A 70 2.126 -4.791 -5.689 1.00 0.68 O ATOM 1030 CB THR A 70 4.180 -3.165 -6.357 1.00 1.13 C ATOM 1031 OG1 THR A 70 5.036 -2.121 -6.800 1.00 1.66 O ATOM 1032 CG2 THR A 70 5.034 -4.391 -6.013 1.00 1.43 C ATOM 0 H THR A 70 1.603 -2.058 -7.469 1.00 0.67 H new ATOM 0 HA THR A 70 3.599 -3.992 -8.289 1.00 0.64 H new ATOM 0 HB THR A 70 3.639 -2.840 -5.468 1.00 1.13 H new ATOM 0 HG1 THR A 70 5.223 -1.513 -6.055 1.00 1.66 H new ATOM 0 HG21 THR A 70 5.767 -4.122 -5.253 1.00 1.43 H new ATOM 0 HG22 THR A 70 4.393 -5.186 -5.633 1.00 1.43 H new ATOM 0 HG23 THR A 70 5.550 -4.738 -6.908 1.00 1.43 H new ATOM 1040 N ILE A 71 1.176 -5.018 -7.699 1.00 0.63 N ATOM 1041 CA ILE A 71 0.149 -5.929 -7.197 1.00 0.64 C ATOM 1042 C ILE A 71 -0.186 -6.983 -8.258 1.00 0.66 C ATOM 1043 O ILE A 71 -0.312 -6.639 -9.430 1.00 0.91 O ATOM 1044 CB ILE A 71 -1.088 -5.125 -6.737 1.00 0.78 C ATOM 1045 CG1 ILE A 71 -2.040 -4.762 -7.879 1.00 1.14 C ATOM 1046 CG2 ILE A 71 -0.720 -3.759 -6.127 1.00 1.02 C ATOM 1047 CD1 ILE A 71 -3.067 -5.822 -8.279 1.00 1.28 C ATOM 0 H ILE A 71 1.122 -4.824 -8.699 1.00 0.63 H new ATOM 0 HA ILE A 71 0.523 -6.467 -6.326 1.00 0.64 H new ATOM 0 HB ILE A 71 -1.553 -5.797 -6.016 1.00 0.78 H new ATOM 0 HG12 ILE A 71 -2.577 -3.856 -7.599 1.00 1.14 H new ATOM 0 HG13 ILE A 71 -1.441 -4.519 -8.757 1.00 1.14 H new ATOM 0 HG21 ILE A 71 -1.629 -3.240 -5.822 1.00 1.02 H new ATOM 0 HG22 ILE A 71 -0.079 -3.909 -5.258 1.00 1.02 H new ATOM 0 HG23 ILE A 71 -0.191 -3.160 -6.868 1.00 1.02 H new ATOM 0 HD11 ILE A 71 -3.680 -5.444 -9.097 1.00 1.28 H new ATOM 0 HD12 ILE A 71 -2.550 -6.726 -8.601 1.00 1.28 H new ATOM 0 HD13 ILE A 71 -3.704 -6.052 -7.425 1.00 1.28 H new ATOM 1059 N ASP A 72 -0.370 -8.248 -7.866 1.00 0.61 N ATOM 1060 CA ASP A 72 -0.943 -9.267 -8.727 1.00 0.77 C ATOM 1061 C ASP A 72 -2.457 -9.159 -8.634 1.00 0.99 C ATOM 1062 O ASP A 72 -3.011 -8.967 -7.553 1.00 1.59 O ATOM 1063 CB ASP A 72 -0.473 -10.653 -8.304 1.00 1.11 C ATOM 1064 CG ASP A 72 -1.200 -11.706 -9.119 1.00 2.87 C ATOM 1065 OD1 ASP A 72 -0.583 -12.192 -10.089 1.00 3.30 O ATOM 1066 OD2 ASP A 72 -2.370 -11.977 -8.773 1.00 4.55 O ATOM 0 H ASP A 72 -0.122 -8.587 -6.937 1.00 0.61 H new ATOM 0 HA ASP A 72 -0.620 -9.116 -9.757 1.00 0.77 H new ATOM 0 HB2 ASP A 72 0.603 -10.744 -8.451 1.00 1.11 H new ATOM 0 HB3 ASP A 72 -0.664 -10.805 -7.242 1.00 1.11 H new ATOM 1071 N PHE A 73 -3.127 -9.238 -9.774 1.00 0.81 N ATOM 1072 CA PHE A 73 -4.530 -8.893 -9.902 1.00 1.08 C ATOM 1073 C PHE A 73 -5.436 -10.040 -9.473 1.00 1.47 C ATOM 1074 O PHE A 73 -6.609 -9.774 -9.199 1.00 1.90 O ATOM 1075 CB PHE A 73 -4.880 -8.463 -11.327 1.00 1.08 C ATOM 1076 CG PHE A 73 -4.272 -7.179 -11.841 1.00 1.14 C ATOM 1077 CD1 PHE A 73 -5.112 -6.222 -12.437 1.00 2.30 C ATOM 1078 CD2 PHE A 73 -2.888 -7.120 -12.073 1.00 2.24 C ATOM 1079 CE1 PHE A 73 -4.591 -5.303 -13.360 1.00 2.47 C ATOM 1080 CE2 PHE A 73 -2.378 -6.250 -13.043 1.00 2.82 C ATOM 1081 CZ PHE A 73 -3.231 -5.354 -13.708 1.00 2.26 C ATOM 0 H PHE A 73 -2.702 -9.549 -10.648 1.00 0.81 H new ATOM 0 HA PHE A 73 -4.701 -8.049 -9.234 1.00 1.08 H new ATOM 0 HB2 PHE A 73 -4.586 -9.267 -12.002 1.00 1.08 H new ATOM 0 HB3 PHE A 73 -5.964 -8.371 -11.393 1.00 1.08 H new ATOM 0 HD1 PHE A 73 -6.161 -6.194 -12.183 1.00 2.30 H new ATOM 0 HD2 PHE A 73 -2.218 -7.746 -11.503 1.00 2.24 H new ATOM 0 HE1 PHE A 73 -5.235 -4.557 -13.803 1.00 2.47 H new ATOM 0 HE2 PHE A 73 -1.325 -6.268 -13.281 1.00 2.82 H new ATOM 0 HZ PHE A 73 -2.844 -4.708 -14.482 1.00 2.26 H new ATOM 1091 N ALA A 74 -4.934 -11.274 -9.363 1.00 1.54 N ATOM 1092 CA ALA A 74 -5.790 -12.399 -9.022 1.00 2.07 C ATOM 1093 C ALA A 74 -6.316 -12.170 -7.617 1.00 2.22 C ATOM 1094 O ALA A 74 -7.450 -12.515 -7.289 1.00 2.63 O ATOM 1095 CB ALA A 74 -5.002 -13.713 -9.078 1.00 2.33 C ATOM 0 H ALA A 74 -3.952 -11.511 -9.504 1.00 1.54 H new ATOM 0 HA ALA A 74 -6.612 -12.472 -9.734 1.00 2.07 H new ATOM 0 HB1 ALA A 74 -5.660 -14.543 -8.820 1.00 2.33 H new ATOM 0 HB2 ALA A 74 -4.611 -13.860 -10.085 1.00 2.33 H new ATOM 0 HB3 ALA A 74 -4.175 -13.672 -8.369 1.00 2.33 H new ATOM 1101 N ALA A 75 -5.456 -11.587 -6.781 1.00 1.92 N ATOM 1102 CA ALA A 75 -5.649 -11.640 -5.344 1.00 1.74 C ATOM 1103 C ALA A 75 -5.172 -10.384 -4.603 1.00 1.42 C ATOM 1104 O ALA A 75 -5.600 -10.164 -3.478 1.00 1.53 O ATOM 1105 CB ALA A 75 -5.043 -12.944 -4.835 1.00 1.73 C ATOM 0 H ALA A 75 -4.625 -11.076 -7.079 1.00 1.92 H new ATOM 0 HA ALA A 75 -6.716 -11.640 -5.123 1.00 1.74 H new ATOM 0 HB1 ALA A 75 -5.175 -13.009 -3.755 1.00 1.73 H new ATOM 0 HB2 ALA A 75 -5.541 -13.788 -5.313 1.00 1.73 H new ATOM 0 HB3 ALA A 75 -3.980 -12.968 -5.073 1.00 1.73 H new ATOM 1111 N LYS A 76 -4.391 -9.506 -5.251 1.00 1.24 N ATOM 1112 CA LYS A 76 -4.003 -8.192 -4.745 1.00 1.16 C ATOM 1113 C LYS A 76 -2.964 -8.257 -3.624 1.00 0.92 C ATOM 1114 O LYS A 76 -3.258 -8.001 -2.460 1.00 1.15 O ATOM 1115 CB LYS A 76 -5.222 -7.306 -4.416 1.00 1.58 C ATOM 1116 CG LYS A 76 -5.524 -6.242 -5.483 1.00 1.68 C ATOM 1117 CD LYS A 76 -5.985 -6.819 -6.828 1.00 2.31 C ATOM 1118 CE LYS A 76 -7.471 -7.186 -6.832 1.00 3.20 C ATOM 1119 NZ LYS A 76 -7.895 -7.709 -8.149 1.00 4.62 N ATOM 0 H LYS A 76 -4.002 -9.704 -6.173 1.00 1.24 H new ATOM 0 HA LYS A 76 -3.488 -7.690 -5.564 1.00 1.16 H new ATOM 0 HB2 LYS A 76 -6.099 -7.942 -4.293 1.00 1.58 H new ATOM 0 HB3 LYS A 76 -5.051 -6.810 -3.460 1.00 1.58 H new ATOM 0 HG2 LYS A 76 -6.295 -5.571 -5.104 1.00 1.68 H new ATOM 0 HG3 LYS A 76 -4.629 -5.641 -5.645 1.00 1.68 H new ATOM 0 HD2 LYS A 76 -5.792 -6.092 -7.617 1.00 2.31 H new ATOM 0 HD3 LYS A 76 -5.395 -7.705 -7.060 1.00 2.31 H new ATOM 0 HE2 LYS A 76 -7.665 -7.934 -6.063 1.00 3.20 H new ATOM 0 HE3 LYS A 76 -8.065 -6.308 -6.580 1.00 3.20 H new ATOM 0 HZ1 LYS A 76 -8.934 -7.725 -8.198 1.00 4.62 H new ATOM 0 HZ2 LYS A 76 -7.522 -7.097 -8.902 1.00 4.62 H new ATOM 0 HZ3 LYS A 76 -7.528 -8.674 -8.274 1.00 4.62 H new ATOM 1133 N GLN A 77 -1.695 -8.463 -3.995 1.00 0.79 N ATOM 1134 CA GLN A 77 -0.575 -8.344 -3.077 1.00 0.82 C ATOM 1135 C GLN A 77 -0.276 -6.853 -2.985 1.00 0.96 C ATOM 1136 O GLN A 77 0.741 -6.379 -3.485 1.00 1.74 O ATOM 1137 CB GLN A 77 0.637 -9.144 -3.585 1.00 1.20 C ATOM 1138 CG GLN A 77 0.338 -10.558 -4.104 1.00 1.02 C ATOM 1139 CD GLN A 77 -0.840 -11.251 -3.429 1.00 1.39 C ATOM 1140 OE1 GLN A 77 -0.676 -11.809 -2.349 1.00 2.27 O ATOM 1141 NE2 GLN A 77 -2.012 -11.220 -4.067 1.00 1.50 N ATOM 0 H GLN A 77 -1.424 -8.717 -4.945 1.00 0.79 H new ATOM 0 HA GLN A 77 -0.807 -8.755 -2.094 1.00 0.82 H new ATOM 0 HB2 GLN A 77 1.112 -8.577 -4.386 1.00 1.20 H new ATOM 0 HB3 GLN A 77 1.362 -9.221 -2.775 1.00 1.20 H new ATOM 0 HG2 GLN A 77 0.144 -10.503 -5.175 1.00 1.02 H new ATOM 0 HG3 GLN A 77 1.228 -11.174 -3.972 1.00 1.02 H new ATOM 0 HE21 GLN A 77 -2.092 -10.741 -4.964 1.00 1.50 H new ATOM 0 HE22 GLN A 77 -2.828 -11.675 -3.658 1.00 1.50 H new ATOM 1150 N GLY A 78 -1.256 -6.096 -2.493 1.00 1.05 N ATOM 1151 CA GLY A 78 -1.394 -4.699 -2.846 1.00 1.23 C ATOM 1152 C GLY A 78 -0.414 -3.814 -2.087 1.00 1.02 C ATOM 1153 O GLY A 78 -0.831 -3.054 -1.215 1.00 1.32 O ATOM 0 H GLY A 78 -1.966 -6.437 -1.845 1.00 1.05 H new ATOM 0 HA2 GLY A 78 -1.234 -4.579 -3.918 1.00 1.23 H new ATOM 0 HA3 GLY A 78 -2.413 -4.372 -2.637 1.00 1.23 H new ATOM 1157 N ASN A 79 0.882 -3.929 -2.392 1.00 0.78 N ATOM 1158 CA ASN A 79 1.956 -3.510 -1.509 1.00 0.75 C ATOM 1159 C ASN A 79 3.041 -2.842 -2.337 1.00 0.85 C ATOM 1160 O ASN A 79 3.734 -3.509 -3.099 1.00 1.50 O ATOM 1161 CB ASN A 79 2.503 -4.738 -0.766 1.00 0.90 C ATOM 1162 CG ASN A 79 1.396 -5.475 -0.021 1.00 1.32 C ATOM 1163 OD1 ASN A 79 1.067 -6.615 -0.332 1.00 2.63 O ATOM 1164 ND2 ASN A 79 0.756 -4.800 0.927 1.00 1.08 N ATOM 0 H ASN A 79 1.211 -4.322 -3.274 1.00 0.78 H new ATOM 0 HA ASN A 79 1.592 -2.795 -0.771 1.00 0.75 H new ATOM 0 HB2 ASN A 79 2.978 -5.414 -1.477 1.00 0.90 H new ATOM 0 HB3 ASN A 79 3.273 -4.425 -0.061 1.00 0.90 H new ATOM 0 HD21 ASN A 79 -0.030 -5.229 1.416 1.00 1.08 H new ATOM 0 HD22 ASN A 79 1.050 -3.853 1.166 1.00 1.08 H new ATOM 1171 N GLY A 80 3.167 -1.521 -2.204 1.00 0.63 N ATOM 1172 CA GLY A 80 4.125 -0.715 -2.942 1.00 0.64 C ATOM 1173 C GLY A 80 5.062 -0.070 -1.934 1.00 0.67 C ATOM 1174 O GLY A 80 4.606 0.403 -0.895 1.00 0.87 O ATOM 0 H GLY A 80 2.590 -0.975 -1.564 1.00 0.63 H new ATOM 0 HA2 GLY A 80 4.685 -1.334 -3.643 1.00 0.64 H new ATOM 0 HA3 GLY A 80 3.612 0.047 -3.529 1.00 0.64 H new ATOM 1178 N LYS A 81 6.363 -0.073 -2.213 1.00 0.65 N ATOM 1179 CA LYS A 81 7.346 0.280 -1.197 1.00 0.69 C ATOM 1180 C LYS A 81 7.423 1.797 -0.999 1.00 0.83 C ATOM 1181 O LYS A 81 7.567 2.551 -1.958 1.00 0.90 O ATOM 1182 CB LYS A 81 8.721 -0.320 -1.518 1.00 0.77 C ATOM 1183 CG LYS A 81 9.286 0.040 -2.901 1.00 1.31 C ATOM 1184 CD LYS A 81 10.811 -0.112 -2.866 1.00 2.13 C ATOM 1185 CE LYS A 81 11.412 0.155 -4.253 1.00 3.12 C ATOM 1186 NZ LYS A 81 12.877 0.312 -4.192 1.00 4.28 N ATOM 0 H LYS A 81 6.756 -0.313 -3.123 1.00 0.65 H new ATOM 0 HA LYS A 81 7.016 -0.154 -0.253 1.00 0.69 H new ATOM 0 HB2 LYS A 81 9.429 0.008 -0.757 1.00 0.77 H new ATOM 0 HB3 LYS A 81 8.653 -1.405 -1.443 1.00 0.77 H new ATOM 0 HG2 LYS A 81 8.859 -0.611 -3.664 1.00 1.31 H new ATOM 0 HG3 LYS A 81 9.014 1.062 -3.165 1.00 1.31 H new ATOM 0 HD2 LYS A 81 11.235 0.582 -2.140 1.00 2.13 H new ATOM 0 HD3 LYS A 81 11.074 -1.117 -2.537 1.00 2.13 H new ATOM 0 HE2 LYS A 81 11.162 -0.668 -4.922 1.00 3.12 H new ATOM 0 HE3 LYS A 81 10.967 1.056 -4.675 1.00 3.12 H new ATOM 0 HZ1 LYS A 81 13.320 -0.273 -4.929 1.00 4.28 H new ATOM 0 HZ2 LYS A 81 13.126 1.310 -4.346 1.00 4.28 H new ATOM 0 HZ3 LYS A 81 13.220 0.010 -3.258 1.00 4.28 H new ATOM 1200 N ILE A 82 7.398 2.239 0.260 1.00 1.04 N ATOM 1201 CA ILE A 82 7.615 3.623 0.647 1.00 1.14 C ATOM 1202 C ILE A 82 9.125 3.860 0.598 1.00 1.05 C ATOM 1203 O ILE A 82 9.825 3.907 1.611 1.00 1.24 O ATOM 1204 CB ILE A 82 6.966 3.890 2.025 1.00 1.25 C ATOM 1205 CG1 ILE A 82 5.436 3.951 1.883 1.00 1.64 C ATOM 1206 CG2 ILE A 82 7.517 5.157 2.705 1.00 1.68 C ATOM 1207 CD1 ILE A 82 4.727 3.777 3.232 1.00 2.10 C ATOM 0 H ILE A 82 7.221 1.624 1.054 1.00 1.04 H new ATOM 0 HA ILE A 82 7.139 4.334 -0.028 1.00 1.14 H new ATOM 0 HB ILE A 82 7.228 3.058 2.679 1.00 1.25 H new ATOM 0 HG12 ILE A 82 5.150 4.907 1.444 1.00 1.64 H new ATOM 0 HG13 ILE A 82 5.104 3.173 1.196 1.00 1.64 H new ATOM 0 HG21 ILE A 82 7.026 5.296 3.668 1.00 1.68 H new ATOM 0 HG22 ILE A 82 8.591 5.051 2.857 1.00 1.68 H new ATOM 0 HG23 ILE A 82 7.324 6.023 2.072 1.00 1.68 H new ATOM 0 HD11 ILE A 82 3.648 3.827 3.085 1.00 2.10 H new ATOM 0 HD12 ILE A 82 4.991 2.810 3.660 1.00 2.10 H new ATOM 0 HD13 ILE A 82 5.038 4.571 3.911 1.00 2.10 H new ATOM 1219 N GLU A 83 9.591 4.088 -0.628 1.00 1.01 N ATOM 1220 CA GLU A 83 10.791 4.862 -0.902 1.00 1.10 C ATOM 1221 C GLU A 83 10.342 6.327 -0.722 1.00 2.03 C ATOM 1222 O GLU A 83 9.136 6.597 -0.675 1.00 3.65 O ATOM 1223 CB GLU A 83 11.270 4.450 -2.307 1.00 1.54 C ATOM 1224 CG GLU A 83 12.756 4.683 -2.611 1.00 1.84 C ATOM 1225 CD GLU A 83 13.159 4.001 -3.903 1.00 2.65 C ATOM 1226 OE1 GLU A 83 13.444 2.785 -3.854 1.00 2.26 O ATOM 1227 OE2 GLU A 83 13.119 4.711 -4.931 1.00 4.35 O ATOM 0 H GLU A 83 9.136 3.733 -1.469 1.00 1.01 H new ATOM 0 HA GLU A 83 11.652 4.702 -0.253 1.00 1.10 H new ATOM 0 HB2 GLU A 83 11.054 3.391 -2.446 1.00 1.54 H new ATOM 0 HB3 GLU A 83 10.680 4.995 -3.044 1.00 1.54 H new ATOM 0 HG2 GLU A 83 12.953 5.753 -2.683 1.00 1.84 H new ATOM 0 HG3 GLU A 83 13.363 4.302 -1.790 1.00 1.84 H new ATOM 1234 N HIS A 84 11.216 7.309 -0.478 1.00 1.26 N ATOM 1235 CA HIS A 84 12.566 7.532 -0.977 1.00 1.12 C ATOM 1236 C HIS A 84 13.268 8.485 0.001 1.00 1.07 C ATOM 1237 O HIS A 84 13.634 9.604 -0.353 1.00 1.34 O ATOM 1238 CB HIS A 84 12.510 8.154 -2.398 1.00 1.56 C ATOM 1239 CG HIS A 84 11.444 7.684 -3.361 1.00 2.38 C ATOM 1240 ND1 HIS A 84 11.613 6.897 -4.487 1.00 4.14 N ATOM 1241 CD2 HIS A 84 10.168 8.162 -3.392 1.00 2.26 C ATOM 1242 CE1 HIS A 84 10.444 6.881 -5.147 1.00 5.01 C ATOM 1243 NE2 HIS A 84 9.534 7.644 -4.522 1.00 3.91 N ATOM 0 H HIS A 84 10.952 8.061 0.158 1.00 1.26 H new ATOM 0 HA HIS A 84 13.114 6.592 -1.046 1.00 1.12 H new ATOM 0 HB2 HIS A 84 12.396 9.232 -2.281 1.00 1.56 H new ATOM 0 HB3 HIS A 84 13.478 7.985 -2.870 1.00 1.56 H new ATOM 0 HD1 HIS A 84 12.469 6.417 -4.765 1.00 4.14 H new ATOM 0 HD2 HIS A 84 9.724 8.827 -2.667 1.00 2.26 H new ATOM 0 HE1 HIS A 84 10.261 6.329 -6.057 1.00 5.01 H new ATOM 1251 N LEU A 85 13.317 8.115 1.278 1.00 1.07 N ATOM 1252 CA LEU A 85 13.296 9.128 2.323 1.00 1.00 C ATOM 1253 C LEU A 85 14.643 9.780 2.609 1.00 1.04 C ATOM 1254 O LEU A 85 15.698 9.311 2.187 1.00 1.22 O ATOM 1255 CB LEU A 85 12.655 8.554 3.596 1.00 1.05 C ATOM 1256 CG LEU A 85 11.167 8.302 3.385 1.00 1.24 C ATOM 1257 CD1 LEU A 85 10.850 6.832 3.101 1.00 1.76 C ATOM 1258 CD2 LEU A 85 10.313 8.805 4.555 1.00 1.89 C ATOM 0 H LEU A 85 13.370 7.150 1.606 1.00 1.07 H new ATOM 0 HA LEU A 85 12.683 9.945 1.943 1.00 1.00 H new ATOM 0 HB2 LEU A 85 13.151 7.623 3.871 1.00 1.05 H new ATOM 0 HB3 LEU A 85 12.797 9.247 4.425 1.00 1.05 H new ATOM 0 HG LEU A 85 10.904 8.880 2.499 1.00 1.24 H new ATOM 0 HD11 LEU A 85 9.776 6.712 2.959 1.00 1.76 H new ATOM 0 HD12 LEU A 85 11.373 6.515 2.199 1.00 1.76 H new ATOM 0 HD13 LEU A 85 11.175 6.220 3.943 1.00 1.76 H new ATOM 0 HD21 LEU A 85 9.262 8.600 4.353 1.00 1.89 H new ATOM 0 HD22 LEU A 85 10.613 8.294 5.470 1.00 1.89 H new ATOM 0 HD23 LEU A 85 10.457 9.879 4.675 1.00 1.89 H new ATOM 1270 N LYS A 86 14.557 10.859 3.398 1.00 1.30 N ATOM 1271 CA LYS A 86 15.627 11.706 3.915 1.00 1.66 C ATOM 1272 C LYS A 86 16.867 10.965 4.416 1.00 1.26 C ATOM 1273 O LYS A 86 17.919 11.579 4.587 1.00 1.72 O ATOM 1274 CB LYS A 86 15.077 12.650 4.999 1.00 2.32 C ATOM 1275 CG LYS A 86 14.027 12.068 5.965 1.00 2.47 C ATOM 1276 CD LYS A 86 14.373 10.833 6.814 1.00 2.90 C ATOM 1277 CE LYS A 86 15.152 11.130 8.107 1.00 3.86 C ATOM 1278 NZ LYS A 86 16.531 11.596 7.869 1.00 4.50 N ATOM 0 H LYS A 86 13.646 11.188 3.718 1.00 1.30 H new ATOM 0 HA LYS A 86 15.981 12.278 3.057 1.00 1.66 H new ATOM 0 HB2 LYS A 86 15.917 13.013 5.591 1.00 2.32 H new ATOM 0 HB3 LYS A 86 14.638 13.516 4.503 1.00 2.32 H new ATOM 0 HG2 LYS A 86 13.739 12.864 6.651 1.00 2.47 H new ATOM 0 HG3 LYS A 86 13.144 11.821 5.376 1.00 2.47 H new ATOM 0 HD2 LYS A 86 13.448 10.319 7.075 1.00 2.90 H new ATOM 0 HD3 LYS A 86 14.959 10.145 6.205 1.00 2.90 H new ATOM 0 HE2 LYS A 86 14.615 11.886 8.680 1.00 3.86 H new ATOM 0 HE3 LYS A 86 15.182 10.228 8.719 1.00 3.86 H new ATOM 0 HZ1 LYS A 86 17.066 11.567 8.760 1.00 4.50 H new ATOM 0 HZ2 LYS A 86 16.990 10.979 7.169 1.00 4.50 H new ATOM 0 HZ3 LYS A 86 16.511 12.572 7.509 1.00 4.50 H new ATOM 1292 N SER A 87 16.749 9.675 4.713 1.00 0.88 N ATOM 1293 CA SER A 87 17.910 8.809 4.870 1.00 1.36 C ATOM 1294 C SER A 87 17.506 7.429 4.350 1.00 1.31 C ATOM 1295 O SER A 87 16.370 7.023 4.610 1.00 1.00 O ATOM 1296 CB SER A 87 18.389 8.815 6.330 1.00 2.12 C ATOM 1297 OG SER A 87 18.459 10.155 6.787 1.00 2.11 O ATOM 0 H SER A 87 15.854 9.205 4.850 1.00 0.88 H new ATOM 0 HA SER A 87 18.768 9.157 4.295 1.00 1.36 H new ATOM 0 HB2 SER A 87 17.704 8.240 6.953 1.00 2.12 H new ATOM 0 HB3 SER A 87 19.367 8.339 6.408 1.00 2.12 H new ATOM 0 HG SER A 87 18.594 10.754 6.024 1.00 2.11 H new ATOM 1303 N PRO A 88 18.360 6.755 3.561 1.00 1.88 N ATOM 1304 CA PRO A 88 18.006 5.538 2.850 1.00 2.13 C ATOM 1305 C PRO A 88 17.335 4.510 3.759 1.00 2.10 C ATOM 1306 O PRO A 88 16.275 3.999 3.399 1.00 2.11 O ATOM 1307 CB PRO A 88 19.299 5.014 2.212 1.00 2.87 C ATOM 1308 CG PRO A 88 20.413 5.749 2.956 1.00 3.11 C ATOM 1309 CD PRO A 88 19.757 7.080 3.321 1.00 2.52 C ATOM 0 HA PRO A 88 17.261 5.742 2.081 1.00 2.13 H new ATOM 0 HB2 PRO A 88 19.390 3.934 2.327 1.00 2.87 H new ATOM 0 HB3 PRO A 88 19.329 5.225 1.143 1.00 2.87 H new ATOM 0 HG2 PRO A 88 20.737 5.202 3.841 1.00 3.11 H new ATOM 0 HG3 PRO A 88 21.293 5.891 2.329 1.00 3.11 H new ATOM 0 HD2 PRO A 88 20.218 7.518 4.206 1.00 2.52 H new ATOM 0 HD3 PRO A 88 19.861 7.806 2.515 1.00 2.52 H new ATOM 1317 N GLU A 89 17.912 4.247 4.937 1.00 2.37 N ATOM 1318 CA GLU A 89 17.417 3.259 5.891 1.00 2.66 C ATOM 1319 C GLU A 89 15.921 3.444 6.107 1.00 2.33 C ATOM 1320 O GLU A 89 15.185 2.471 6.229 1.00 2.72 O ATOM 1321 CB GLU A 89 18.124 3.324 7.265 1.00 3.06 C ATOM 1322 CG GLU A 89 19.480 4.035 7.326 1.00 3.68 C ATOM 1323 CD GLU A 89 19.312 5.544 7.247 1.00 3.67 C ATOM 1324 OE1 GLU A 89 18.889 6.151 8.252 1.00 3.24 O ATOM 1325 OE2 GLU A 89 19.527 6.052 6.128 1.00 4.79 O ATOM 0 H GLU A 89 18.753 4.727 5.256 1.00 2.37 H new ATOM 0 HA GLU A 89 17.633 2.284 5.454 1.00 2.66 H new ATOM 0 HB2 GLU A 89 17.452 3.819 7.967 1.00 3.06 H new ATOM 0 HB3 GLU A 89 18.262 2.303 7.622 1.00 3.06 H new ATOM 0 HG2 GLU A 89 19.991 3.771 8.252 1.00 3.68 H new ATOM 0 HG3 GLU A 89 20.111 3.693 6.505 1.00 3.68 H new ATOM 1332 N LEU A 90 15.490 4.706 6.180 1.00 1.84 N ATOM 1333 CA LEU A 90 14.152 5.084 6.548 1.00 1.71 C ATOM 1334 C LEU A 90 13.105 4.643 5.519 1.00 1.22 C ATOM 1335 O LEU A 90 11.930 4.582 5.878 1.00 1.58 O ATOM 1336 CB LEU A 90 14.147 6.588 6.827 1.00 1.78 C ATOM 1337 CG LEU A 90 13.390 6.997 8.090 1.00 1.85 C ATOM 1338 CD1 LEU A 90 11.896 6.680 8.005 1.00 2.13 C ATOM 1339 CD2 LEU A 90 13.973 6.418 9.387 1.00 2.72 C ATOM 0 H LEU A 90 16.091 5.505 5.976 1.00 1.84 H new ATOM 0 HA LEU A 90 13.855 4.557 7.455 1.00 1.71 H new ATOM 0 HB2 LEU A 90 15.178 6.933 6.909 1.00 1.78 H new ATOM 0 HB3 LEU A 90 13.706 7.102 5.972 1.00 1.78 H new ATOM 0 HG LEU A 90 13.519 8.078 8.137 1.00 1.85 H new ATOM 0 HD11 LEU A 90 11.405 6.990 8.927 1.00 2.13 H new ATOM 0 HD12 LEU A 90 11.458 7.216 7.163 1.00 2.13 H new ATOM 0 HD13 LEU A 90 11.759 5.608 7.864 1.00 2.13 H new ATOM 0 HD21 LEU A 90 13.378 6.756 10.236 1.00 2.72 H new ATOM 0 HD22 LEU A 90 13.953 5.329 9.341 1.00 2.72 H new ATOM 0 HD23 LEU A 90 15.002 6.757 9.507 1.00 2.72 H new ATOM 1351 N ASN A 91 13.495 4.291 4.280 1.00 0.77 N ATOM 1352 CA ASN A 91 12.648 3.526 3.373 1.00 0.78 C ATOM 1353 C ASN A 91 11.842 2.474 4.132 1.00 0.90 C ATOM 1354 O ASN A 91 12.411 1.624 4.818 1.00 1.37 O ATOM 1355 CB ASN A 91 13.515 2.767 2.374 1.00 1.26 C ATOM 1356 CG ASN A 91 13.933 3.550 1.154 1.00 1.89 C ATOM 1357 OD1 ASN A 91 13.650 3.105 0.053 1.00 2.94 O ATOM 1358 ND2 ASN A 91 14.629 4.672 1.316 1.00 1.78 N ATOM 0 H ASN A 91 14.406 4.533 3.889 1.00 0.77 H new ATOM 0 HA ASN A 91 11.983 4.233 2.877 1.00 0.78 H new ATOM 0 HB2 ASN A 91 14.412 2.420 2.887 1.00 1.26 H new ATOM 0 HB3 ASN A 91 12.972 1.880 2.047 1.00 1.26 H new ATOM 0 HD21 ASN A 91 14.948 5.196 0.501 1.00 1.78 H new ATOM 0 HD22 ASN A 91 14.843 5.008 2.255 1.00 1.78 H new ATOM 1365 N VAL A 92 10.523 2.516 3.979 1.00 0.74 N ATOM 1366 CA VAL A 92 9.638 1.481 4.475 1.00 0.73 C ATOM 1367 C VAL A 92 9.272 0.615 3.284 1.00 0.68 C ATOM 1368 O VAL A 92 8.578 1.076 2.382 1.00 0.95 O ATOM 1369 CB VAL A 92 8.415 2.120 5.155 1.00 0.75 C ATOM 1370 CG1 VAL A 92 7.191 1.204 5.175 1.00 1.05 C ATOM 1371 CG2 VAL A 92 8.770 2.416 6.606 1.00 1.07 C ATOM 0 H VAL A 92 10.039 3.277 3.503 1.00 0.74 H new ATOM 0 HA VAL A 92 10.111 0.860 5.236 1.00 0.73 H new ATOM 0 HB VAL A 92 8.167 3.014 4.584 1.00 0.75 H new ATOM 0 HG11 VAL A 92 6.363 1.714 5.668 1.00 1.05 H new ATOM 0 HG12 VAL A 92 6.906 0.955 4.153 1.00 1.05 H new ATOM 0 HG13 VAL A 92 7.430 0.290 5.718 1.00 1.05 H new ATOM 0 HG21 VAL A 92 7.914 2.870 7.105 1.00 1.07 H new ATOM 0 HG22 VAL A 92 9.035 1.488 7.112 1.00 1.07 H new ATOM 0 HG23 VAL A 92 9.616 3.102 6.641 1.00 1.07 H new ATOM 1381 N ASP A 93 9.720 -0.639 3.272 1.00 0.50 N ATOM 1382 CA ASP A 93 9.131 -1.594 2.354 1.00 0.47 C ATOM 1383 C ASP A 93 7.888 -2.175 3.028 1.00 0.49 C ATOM 1384 O ASP A 93 7.692 -2.017 4.231 1.00 0.62 O ATOM 1385 CB ASP A 93 10.146 -2.666 1.941 1.00 0.51 C ATOM 1386 CG ASP A 93 9.863 -3.130 0.518 1.00 1.05 C ATOM 1387 OD1 ASP A 93 10.817 -3.133 -0.289 1.00 1.63 O ATOM 1388 OD2 ASP A 93 8.677 -3.416 0.253 1.00 2.19 O ATOM 0 H ASP A 93 10.464 -1.003 3.868 1.00 0.50 H new ATOM 0 HA ASP A 93 8.836 -1.108 1.424 1.00 0.47 H new ATOM 0 HB2 ASP A 93 11.158 -2.266 2.007 1.00 0.51 H new ATOM 0 HB3 ASP A 93 10.093 -3.512 2.626 1.00 0.51 H new ATOM 1393 N LEU A 94 7.037 -2.829 2.255 1.00 0.63 N ATOM 1394 CA LEU A 94 5.901 -3.597 2.735 1.00 0.85 C ATOM 1395 C LEU A 94 5.796 -4.895 1.939 1.00 0.83 C ATOM 1396 O LEU A 94 5.856 -4.889 0.712 1.00 0.99 O ATOM 1397 CB LEU A 94 4.583 -2.801 2.738 1.00 1.22 C ATOM 1398 CG LEU A 94 4.451 -1.626 1.757 1.00 0.97 C ATOM 1399 CD1 LEU A 94 2.959 -1.375 1.523 1.00 1.40 C ATOM 1400 CD2 LEU A 94 5.032 -0.326 2.330 1.00 1.93 C ATOM 0 H LEU A 94 7.122 -2.840 1.239 1.00 0.63 H new ATOM 0 HA LEU A 94 6.077 -3.838 3.783 1.00 0.85 H new ATOM 0 HB2 LEU A 94 3.770 -3.499 2.535 1.00 1.22 H new ATOM 0 HB3 LEU A 94 4.428 -2.415 3.745 1.00 1.22 H new ATOM 0 HG LEU A 94 4.991 -1.887 0.847 1.00 0.97 H new ATOM 0 HD11 LEU A 94 2.834 -0.544 0.829 1.00 1.40 H new ATOM 0 HD12 LEU A 94 2.501 -2.271 1.103 1.00 1.40 H new ATOM 0 HD13 LEU A 94 2.478 -1.132 2.470 1.00 1.40 H new ATOM 0 HD21 LEU A 94 4.916 0.476 1.601 1.00 1.93 H new ATOM 0 HD22 LEU A 94 4.503 -0.064 3.246 1.00 1.93 H new ATOM 0 HD23 LEU A 94 6.090 -0.466 2.550 1.00 1.93 H new ATOM 1412 N ALA A 95 5.653 -6.013 2.655 1.00 1.17 N ATOM 1413 CA ALA A 95 5.726 -7.342 2.072 1.00 1.43 C ATOM 1414 C ALA A 95 4.421 -7.685 1.356 1.00 1.22 C ATOM 1415 O ALA A 95 3.446 -6.942 1.438 1.00 1.16 O ATOM 1416 CB ALA A 95 6.028 -8.355 3.183 1.00 1.97 C ATOM 0 H ALA A 95 5.483 -6.015 3.661 1.00 1.17 H new ATOM 0 HA ALA A 95 6.524 -7.375 1.331 1.00 1.43 H new ATOM 0 HB1 ALA A 95 6.085 -9.356 2.757 1.00 1.97 H new ATOM 0 HB2 ALA A 95 6.979 -8.106 3.653 1.00 1.97 H new ATOM 0 HB3 ALA A 95 5.235 -8.323 3.930 1.00 1.97 H new ATOM 1422 N ALA A 96 4.395 -8.836 0.680 1.00 1.18 N ATOM 1423 CA ALA A 96 3.244 -9.267 -0.093 1.00 1.06 C ATOM 1424 C ALA A 96 2.186 -9.791 0.877 1.00 0.86 C ATOM 1425 O ALA A 96 2.412 -10.792 1.554 1.00 1.25 O ATOM 1426 CB ALA A 96 3.674 -10.361 -1.076 1.00 1.25 C ATOM 0 H ALA A 96 5.176 -9.491 0.658 1.00 1.18 H new ATOM 0 HA ALA A 96 2.829 -8.438 -0.666 1.00 1.06 H new ATOM 0 HB1 ALA A 96 2.812 -10.687 -1.658 1.00 1.25 H new ATOM 0 HB2 ALA A 96 4.437 -9.967 -1.747 1.00 1.25 H new ATOM 0 HB3 ALA A 96 4.079 -11.208 -0.523 1.00 1.25 H new ATOM 1432 N ALA A 97 1.053 -9.092 0.959 1.00 0.59 N ATOM 1433 CA ALA A 97 -0.052 -9.394 1.851 1.00 0.53 C ATOM 1434 C ALA A 97 -1.324 -9.468 1.020 1.00 0.59 C ATOM 1435 O ALA A 97 -1.653 -8.512 0.318 1.00 1.02 O ATOM 1436 CB ALA A 97 -0.187 -8.314 2.925 1.00 0.81 C ATOM 0 H ALA A 97 0.880 -8.270 0.381 1.00 0.59 H new ATOM 0 HA ALA A 97 0.127 -10.344 2.354 1.00 0.53 H new ATOM 0 HB1 ALA A 97 -1.020 -8.558 3.584 1.00 0.81 H new ATOM 0 HB2 ALA A 97 0.733 -8.263 3.507 1.00 0.81 H new ATOM 0 HB3 ALA A 97 -0.370 -7.350 2.451 1.00 0.81 H new ATOM 1442 N ASP A 98 -2.012 -10.605 1.100 1.00 0.63 N ATOM 1443 CA ASP A 98 -3.239 -10.855 0.361 1.00 0.71 C ATOM 1444 C ASP A 98 -4.446 -10.336 1.145 1.00 0.90 C ATOM 1445 O ASP A 98 -4.297 -9.791 2.238 1.00 1.22 O ATOM 1446 CB ASP A 98 -3.359 -12.333 -0.022 1.00 1.10 C ATOM 1447 CG ASP A 98 -4.269 -12.469 -1.230 1.00 2.91 C ATOM 1448 OD1 ASP A 98 -3.731 -12.369 -2.352 1.00 4.47 O ATOM 1449 OD2 ASP A 98 -5.498 -12.577 -1.002 1.00 3.69 O ATOM 0 H ASP A 98 -1.726 -11.387 1.689 1.00 0.63 H new ATOM 0 HA ASP A 98 -3.211 -10.302 -0.578 1.00 0.71 H new ATOM 0 HB2 ASP A 98 -2.374 -12.743 -0.247 1.00 1.10 H new ATOM 0 HB3 ASP A 98 -3.759 -12.906 0.815 1.00 1.10 H new ATOM 1454 N ILE A 99 -5.634 -10.448 0.553 1.00 1.00 N ATOM 1455 CA ILE A 99 -6.806 -9.669 0.901 1.00 1.03 C ATOM 1456 C ILE A 99 -8.014 -10.552 1.209 1.00 1.43 C ATOM 1457 O ILE A 99 -8.974 -10.041 1.774 1.00 3.13 O ATOM 1458 CB ILE A 99 -7.074 -8.631 -0.210 1.00 0.89 C ATOM 1459 CG1 ILE A 99 -8.030 -9.065 -1.330 1.00 1.34 C ATOM 1460 CG2 ILE A 99 -5.772 -8.156 -0.846 1.00 1.70 C ATOM 1461 CD1 ILE A 99 -9.394 -8.429 -1.079 1.00 1.89 C ATOM 0 H ILE A 99 -5.806 -11.107 -0.206 1.00 1.00 H new ATOM 0 HA ILE A 99 -6.615 -9.127 1.828 1.00 1.03 H new ATOM 0 HB ILE A 99 -7.580 -7.827 0.324 1.00 0.89 H new ATOM 0 HG12 ILE A 99 -7.641 -8.756 -2.300 1.00 1.34 H new ATOM 0 HG13 ILE A 99 -8.117 -10.151 -1.353 1.00 1.34 H new ATOM 0 HG21 ILE A 99 -5.993 -7.426 -1.625 1.00 1.70 H new ATOM 0 HG22 ILE A 99 -5.142 -7.696 -0.085 1.00 1.70 H new ATOM 0 HG23 ILE A 99 -5.249 -9.007 -1.284 1.00 1.70 H new ATOM 0 HD11 ILE A 99 -10.085 -8.728 -1.867 1.00 1.89 H new ATOM 0 HD12 ILE A 99 -9.778 -8.761 -0.114 1.00 1.89 H new ATOM 0 HD13 ILE A 99 -9.294 -7.344 -1.076 1.00 1.89 H new ATOM 1473 N LYS A 100 -7.977 -11.848 0.847 1.00 1.23 N ATOM 1474 CA LYS A 100 -9.102 -12.789 0.910 1.00 1.38 C ATOM 1475 C LYS A 100 -10.259 -12.438 1.869 1.00 1.38 C ATOM 1476 O LYS A 100 -11.395 -12.390 1.400 1.00 2.05 O ATOM 1477 CB LYS A 100 -8.629 -14.244 1.091 1.00 2.49 C ATOM 1478 CG LYS A 100 -7.694 -14.826 0.024 1.00 4.19 C ATOM 1479 CD LYS A 100 -8.240 -14.683 -1.398 1.00 5.78 C ATOM 1480 CE LYS A 100 -9.526 -15.477 -1.693 1.00 6.79 C ATOM 1481 NZ LYS A 100 -9.266 -16.837 -2.201 1.00 8.15 N ATOM 0 H LYS A 100 -7.126 -12.282 0.489 1.00 1.23 H new ATOM 0 HA LYS A 100 -9.559 -12.682 -0.074 1.00 1.38 H new ATOM 0 HB2 LYS A 100 -8.124 -14.316 2.055 1.00 2.49 H new ATOM 0 HB3 LYS A 100 -9.513 -14.880 1.146 1.00 2.49 H new ATOM 0 HG2 LYS A 100 -6.727 -14.328 0.087 1.00 4.19 H new ATOM 0 HG3 LYS A 100 -7.523 -15.881 0.236 1.00 4.19 H new ATOM 0 HD2 LYS A 100 -8.432 -13.628 -1.591 1.00 5.78 H new ATOM 0 HD3 LYS A 100 -7.468 -15.000 -2.099 1.00 5.78 H new ATOM 0 HE2 LYS A 100 -10.121 -15.544 -0.782 1.00 6.79 H new ATOM 0 HE3 LYS A 100 -10.123 -14.931 -2.424 1.00 6.79 H new ATOM 0 HZ1 LYS A 100 -10.168 -17.295 -2.444 1.00 8.15 H new ATOM 0 HZ2 LYS A 100 -8.666 -16.782 -3.049 1.00 8.15 H new ATOM 0 HZ3 LYS A 100 -8.781 -17.394 -1.469 1.00 8.15 H new ATOM 1495 N PRO A 101 -10.054 -12.203 3.179 1.00 2.10 N ATOM 1496 CA PRO A 101 -11.115 -11.718 4.057 1.00 2.92 C ATOM 1497 C PRO A 101 -11.538 -10.269 3.727 1.00 2.47 C ATOM 1498 O PRO A 101 -11.330 -9.360 4.530 1.00 3.64 O ATOM 1499 CB PRO A 101 -10.554 -11.876 5.476 1.00 4.52 C ATOM 1500 CG PRO A 101 -9.050 -11.702 5.268 1.00 4.57 C ATOM 1501 CD PRO A 101 -8.823 -12.408 3.932 1.00 3.11 C ATOM 0 HA PRO A 101 -12.038 -12.285 3.933 1.00 2.92 H new ATOM 0 HB2 PRO A 101 -10.958 -11.126 6.156 1.00 4.52 H new ATOM 0 HB3 PRO A 101 -10.793 -12.852 5.899 1.00 4.52 H new ATOM 0 HG2 PRO A 101 -8.764 -10.651 5.226 1.00 4.57 H new ATOM 0 HG3 PRO A 101 -8.473 -12.158 6.072 1.00 4.57 H new ATOM 0 HD2 PRO A 101 -7.965 -11.989 3.406 1.00 3.11 H new ATOM 0 HD3 PRO A 101 -8.622 -13.469 4.076 1.00 3.11 H new ATOM 1509 N ASP A 102 -12.185 -10.074 2.572 1.00 1.62 N ATOM 1510 CA ASP A 102 -12.875 -8.851 2.161 1.00 1.82 C ATOM 1511 C ASP A 102 -14.372 -9.145 2.113 1.00 1.53 C ATOM 1512 O ASP A 102 -15.154 -8.567 2.865 1.00 2.34 O ATOM 1513 CB ASP A 102 -12.354 -8.387 0.792 1.00 2.75 C ATOM 1514 CG ASP A 102 -13.409 -7.667 -0.034 1.00 3.88 C ATOM 1515 OD1 ASP A 102 -13.780 -6.552 0.368 1.00 4.46 O ATOM 1516 OD2 ASP A 102 -13.828 -8.199 -1.086 1.00 5.10 O ATOM 0 H ASP A 102 -12.243 -10.805 1.863 1.00 1.62 H new ATOM 0 HA ASP A 102 -12.687 -8.046 2.872 1.00 1.82 H new ATOM 0 HB2 ASP A 102 -11.502 -7.724 0.940 1.00 2.75 H new ATOM 0 HB3 ASP A 102 -11.992 -9.252 0.235 1.00 2.75 H new ATOM 1521 N GLY A 103 -14.769 -10.069 1.235 1.00 2.10 N ATOM 1522 CA GLY A 103 -16.149 -10.493 1.128 1.00 2.74 C ATOM 1523 C GLY A 103 -17.021 -9.497 0.369 1.00 2.53 C ATOM 1524 O GLY A 103 -18.212 -9.406 0.658 1.00 3.37 O ATOM 0 H GLY A 103 -14.138 -10.537 0.585 1.00 2.10 H new ATOM 0 HA2 GLY A 103 -16.189 -11.459 0.625 1.00 2.74 H new ATOM 0 HA3 GLY A 103 -16.558 -10.637 2.128 1.00 2.74 H new ATOM 1528 N LYS A 104 -16.463 -8.748 -0.592 1.00 2.04 N ATOM 1529 CA LYS A 104 -17.209 -7.691 -1.257 1.00 2.07 C ATOM 1530 C LYS A 104 -16.703 -7.491 -2.687 1.00 2.41 C ATOM 1531 O LYS A 104 -17.297 -8.024 -3.622 1.00 3.89 O ATOM 1532 CB LYS A 104 -17.153 -6.439 -0.363 1.00 2.16 C ATOM 1533 CG LYS A 104 -17.909 -5.213 -0.883 1.00 2.66 C ATOM 1534 CD LYS A 104 -18.051 -4.228 0.290 1.00 2.98 C ATOM 1535 CE LYS A 104 -18.456 -2.812 -0.143 1.00 4.20 C ATOM 1536 NZ LYS A 104 -17.332 -2.079 -0.763 1.00 5.78 N ATOM 0 H LYS A 104 -15.503 -8.859 -0.919 1.00 2.04 H new ATOM 0 HA LYS A 104 -18.260 -7.951 -1.380 1.00 2.07 H new ATOM 0 HB2 LYS A 104 -17.551 -6.698 0.618 1.00 2.16 H new ATOM 0 HB3 LYS A 104 -16.108 -6.164 -0.220 1.00 2.16 H new ATOM 0 HG2 LYS A 104 -17.368 -4.751 -1.709 1.00 2.66 H new ATOM 0 HG3 LYS A 104 -18.889 -5.500 -1.264 1.00 2.66 H new ATOM 0 HD2 LYS A 104 -18.795 -4.612 0.988 1.00 2.98 H new ATOM 0 HD3 LYS A 104 -17.104 -4.178 0.828 1.00 2.98 H new ATOM 0 HE2 LYS A 104 -19.283 -2.872 -0.850 1.00 4.20 H new ATOM 0 HE3 LYS A 104 -18.816 -2.257 0.723 1.00 4.20 H new ATOM 0 HZ1 LYS A 104 -17.649 -1.128 -1.041 1.00 5.78 H new ATOM 0 HZ2 LYS A 104 -16.551 -1.999 -0.080 1.00 5.78 H new ATOM 0 HZ3 LYS A 104 -17.004 -2.594 -1.605 1.00 5.78 H new ATOM 1550 N ARG A 105 -15.643 -6.700 -2.868 1.00 2.03 N ATOM 1551 CA ARG A 105 -15.059 -6.351 -4.168 1.00 2.11 C ATOM 1552 C ARG A 105 -13.616 -5.892 -3.948 1.00 2.02 C ATOM 1553 O ARG A 105 -13.185 -4.928 -4.576 1.00 2.47 O ATOM 1554 CB ARG A 105 -15.845 -5.234 -4.905 1.00 2.22 C ATOM 1555 CG ARG A 105 -17.307 -5.581 -5.218 1.00 2.80 C ATOM 1556 CD ARG A 105 -17.965 -4.520 -6.109 1.00 3.22 C ATOM 1557 NE ARG A 105 -19.400 -4.800 -6.285 1.00 4.09 N ATOM 1558 CZ ARG A 105 -19.962 -5.592 -7.218 1.00 5.24 C ATOM 1559 NH1 ARG A 105 -19.244 -6.119 -8.214 1.00 5.93 N ATOM 1560 NH2 ARG A 105 -21.272 -5.858 -7.145 1.00 6.26 N ATOM 0 H ARG A 105 -15.149 -6.269 -2.087 1.00 2.03 H new ATOM 0 HA ARG A 105 -15.103 -7.239 -4.798 1.00 2.11 H new ATOM 0 HB2 ARG A 105 -15.822 -4.330 -4.296 1.00 2.22 H new ATOM 0 HB3 ARG A 105 -15.332 -5.003 -5.839 1.00 2.22 H new ATOM 0 HG2 ARG A 105 -17.353 -6.551 -5.713 1.00 2.80 H new ATOM 0 HG3 ARG A 105 -17.867 -5.672 -4.287 1.00 2.80 H new ATOM 0 HD2 ARG A 105 -17.835 -3.534 -5.664 1.00 3.22 H new ATOM 0 HD3 ARG A 105 -17.472 -4.499 -7.081 1.00 3.22 H new ATOM 0 HE ARG A 105 -20.036 -4.345 -5.630 1.00 4.09 H new ATOM 0 HH11 ARG A 105 -18.245 -5.925 -8.281 1.00 5.93 H new ATOM 0 HH12 ARG A 105 -19.695 -6.716 -8.907 1.00 5.93 H new ATOM 0 HH21 ARG A 105 -21.831 -5.462 -6.389 1.00 6.26 H new ATOM 0 HH22 ARG A 105 -21.711 -6.456 -7.845 1.00 6.26 H new ATOM 1574 N HIS A 106 -12.891 -6.524 -3.018 1.00 2.12 N ATOM 1575 CA HIS A 106 -11.641 -5.981 -2.508 1.00 2.04 C ATOM 1576 C HIS A 106 -11.867 -4.564 -1.964 1.00 1.77 C ATOM 1577 O HIS A 106 -11.359 -3.569 -2.476 1.00 2.98 O ATOM 1578 CB HIS A 106 -10.512 -6.121 -3.545 1.00 2.68 C ATOM 1579 CG HIS A 106 -9.258 -5.344 -3.215 1.00 3.73 C ATOM 1580 ND1 HIS A 106 -8.775 -5.054 -1.956 1.00 4.61 N ATOM 1581 CD2 HIS A 106 -8.610 -4.516 -4.091 1.00 4.61 C ATOM 1582 CE1 HIS A 106 -7.851 -4.092 -2.088 1.00 5.55 C ATOM 1583 NE2 HIS A 106 -7.713 -3.725 -3.369 1.00 5.55 N ATOM 0 H HIS A 106 -13.157 -7.418 -2.605 1.00 2.12 H new ATOM 0 HA HIS A 106 -11.294 -6.565 -1.656 1.00 2.04 H new ATOM 0 HB2 HIS A 106 -10.255 -7.176 -3.644 1.00 2.68 H new ATOM 0 HB3 HIS A 106 -10.884 -5.791 -4.515 1.00 2.68 H new ATOM 0 HD1 HIS A 106 -9.068 -5.492 -1.083 1.00 4.61 H new ATOM 0 HD2 HIS A 106 -8.766 -4.480 -5.159 1.00 4.61 H new ATOM 0 HE1 HIS A 106 -7.290 -3.668 -1.268 1.00 5.55 H new ATOM 1591 N ALA A 107 -12.623 -4.494 -0.869 1.00 1.09 N ATOM 1592 CA ALA A 107 -12.777 -3.314 -0.045 1.00 1.75 C ATOM 1593 C ALA A 107 -11.409 -2.822 0.423 1.00 1.49 C ATOM 1594 O ALA A 107 -11.117 -1.635 0.300 1.00 1.69 O ATOM 1595 CB ALA A 107 -13.678 -3.661 1.146 1.00 2.66 C ATOM 0 H ALA A 107 -13.161 -5.290 -0.526 1.00 1.09 H new ATOM 0 HA ALA A 107 -13.240 -2.511 -0.619 1.00 1.75 H new ATOM 0 HB1 ALA A 107 -13.803 -2.781 1.776 1.00 2.66 H new ATOM 0 HB2 ALA A 107 -14.652 -3.988 0.782 1.00 2.66 H new ATOM 0 HB3 ALA A 107 -13.220 -4.461 1.727 1.00 2.66 H new ATOM 1601 N VAL A 108 -10.580 -3.726 0.965 1.00 1.27 N ATOM 1602 CA VAL A 108 -9.251 -3.398 1.467 1.00 1.06 C ATOM 1603 C VAL A 108 -8.267 -4.554 1.267 1.00 1.15 C ATOM 1604 O VAL A 108 -8.659 -5.628 0.813 1.00 1.74 O ATOM 1605 CB VAL A 108 -9.296 -2.988 2.954 1.00 0.92 C ATOM 1606 CG1 VAL A 108 -10.027 -1.664 3.173 1.00 1.22 C ATOM 1607 CG2 VAL A 108 -9.917 -4.078 3.830 1.00 0.99 C ATOM 0 H VAL A 108 -10.822 -4.712 1.065 1.00 1.27 H new ATOM 0 HA VAL A 108 -8.896 -2.547 0.885 1.00 1.06 H new ATOM 0 HB VAL A 108 -8.257 -2.852 3.255 1.00 0.92 H new ATOM 0 HG11 VAL A 108 -10.030 -1.422 4.236 1.00 1.22 H new ATOM 0 HG12 VAL A 108 -9.519 -0.873 2.622 1.00 1.22 H new ATOM 0 HG13 VAL A 108 -11.054 -1.752 2.818 1.00 1.22 H new ATOM 0 HG21 VAL A 108 -9.929 -3.747 4.869 1.00 0.99 H new ATOM 0 HG22 VAL A 108 -10.937 -4.273 3.500 1.00 0.99 H new ATOM 0 HG23 VAL A 108 -9.328 -4.991 3.747 1.00 0.99 H new ATOM 1617 N ILE A 109 -7.004 -4.299 1.621 1.00 0.94 N ATOM 1618 CA ILE A 109 -5.927 -5.201 1.993 1.00 0.88 C ATOM 1619 C ILE A 109 -5.568 -4.782 3.418 1.00 0.87 C ATOM 1620 O ILE A 109 -5.627 -3.588 3.719 1.00 1.01 O ATOM 1621 CB ILE A 109 -4.679 -4.963 1.112 1.00 0.95 C ATOM 1622 CG1 ILE A 109 -4.921 -5.145 -0.379 1.00 1.70 C ATOM 1623 CG2 ILE A 109 -3.455 -5.785 1.553 1.00 1.62 C ATOM 1624 CD1 ILE A 109 -4.623 -3.875 -1.167 1.00 2.61 C ATOM 0 H ILE A 109 -6.680 -3.332 1.655 1.00 0.94 H new ATOM 0 HA ILE A 109 -6.226 -6.244 1.887 1.00 0.88 H new ATOM 0 HB ILE A 109 -4.456 -3.908 1.273 1.00 0.95 H new ATOM 0 HG12 ILE A 109 -4.296 -5.957 -0.751 1.00 1.70 H new ATOM 0 HG13 ILE A 109 -5.957 -5.439 -0.544 1.00 1.70 H new ATOM 0 HG21 ILE A 109 -2.615 -5.570 0.892 1.00 1.62 H new ATOM 0 HG22 ILE A 109 -3.189 -5.521 2.576 1.00 1.62 H new ATOM 0 HG23 ILE A 109 -3.693 -6.848 1.503 1.00 1.62 H new ATOM 0 HD11 ILE A 109 -4.810 -4.052 -2.226 1.00 2.61 H new ATOM 0 HD12 ILE A 109 -5.266 -3.069 -0.815 1.00 2.61 H new ATOM 0 HD13 ILE A 109 -3.579 -3.595 -1.024 1.00 2.61 H new ATOM 1636 N SER A 110 -5.161 -5.732 4.263 1.00 0.94 N ATOM 1637 CA SER A 110 -4.556 -5.460 5.560 1.00 0.88 C ATOM 1638 C SER A 110 -3.136 -6.022 5.504 1.00 0.87 C ATOM 1639 O SER A 110 -2.978 -7.240 5.445 1.00 1.25 O ATOM 1640 CB SER A 110 -5.391 -6.126 6.659 1.00 0.96 C ATOM 1641 OG SER A 110 -4.920 -5.744 7.936 1.00 1.60 O ATOM 0 H SER A 110 -5.246 -6.727 4.057 1.00 0.94 H new ATOM 0 HA SER A 110 -4.523 -4.394 5.786 1.00 0.88 H new ATOM 0 HB2 SER A 110 -6.438 -5.843 6.551 1.00 0.96 H new ATOM 0 HB3 SER A 110 -5.342 -7.210 6.556 1.00 0.96 H new ATOM 0 HG SER A 110 -5.464 -6.176 8.628 1.00 1.60 H new ATOM 1647 N GLY A 111 -2.120 -5.155 5.449 1.00 0.75 N ATOM 1648 CA GLY A 111 -0.721 -5.566 5.368 1.00 0.75 C ATOM 1649 C GLY A 111 0.107 -5.041 6.544 1.00 0.67 C ATOM 1650 O GLY A 111 -0.346 -4.177 7.296 1.00 0.84 O ATOM 0 H GLY A 111 -2.249 -4.143 5.460 1.00 0.75 H new ATOM 0 HA2 GLY A 111 -0.665 -6.654 5.344 1.00 0.75 H new ATOM 0 HA3 GLY A 111 -0.292 -5.204 4.434 1.00 0.75 H new ATOM 1654 N SER A 112 1.337 -5.545 6.673 1.00 0.67 N ATOM 1655 CA SER A 112 2.354 -5.003 7.567 1.00 0.61 C ATOM 1656 C SER A 112 3.346 -4.212 6.726 1.00 0.61 C ATOM 1657 O SER A 112 3.441 -4.442 5.518 1.00 0.72 O ATOM 1658 CB SER A 112 3.112 -6.121 8.287 1.00 0.72 C ATOM 1659 OG SER A 112 2.290 -6.834 9.185 1.00 1.32 O ATOM 0 H SER A 112 1.657 -6.358 6.146 1.00 0.67 H new ATOM 0 HA SER A 112 1.870 -4.376 8.316 1.00 0.61 H new ATOM 0 HB2 SER A 112 3.524 -6.810 7.550 1.00 0.72 H new ATOM 0 HB3 SER A 112 3.955 -5.694 8.830 1.00 0.72 H new ATOM 0 HG SER A 112 2.828 -7.150 9.941 1.00 1.32 H new ATOM 1665 N VAL A 113 4.118 -3.328 7.362 1.00 0.57 N ATOM 1666 CA VAL A 113 5.253 -2.684 6.719 1.00 0.54 C ATOM 1667 C VAL A 113 6.528 -3.026 7.484 1.00 0.74 C ATOM 1668 O VAL A 113 6.509 -3.161 8.706 1.00 0.86 O ATOM 1669 CB VAL A 113 5.049 -1.167 6.574 1.00 0.49 C ATOM 1670 CG1 VAL A 113 3.584 -0.778 6.348 1.00 0.60 C ATOM 1671 CG2 VAL A 113 5.618 -0.387 7.765 1.00 0.74 C ATOM 0 H VAL A 113 3.971 -3.044 8.330 1.00 0.57 H new ATOM 0 HA VAL A 113 5.345 -3.067 5.703 1.00 0.54 H new ATOM 0 HB VAL A 113 5.608 -0.890 5.680 1.00 0.49 H new ATOM 0 HG11 VAL A 113 3.506 0.305 6.253 1.00 0.60 H new ATOM 0 HG12 VAL A 113 3.219 -1.249 5.435 1.00 0.60 H new ATOM 0 HG13 VAL A 113 2.984 -1.113 7.194 1.00 0.60 H new ATOM 0 HG21 VAL A 113 5.449 0.679 7.616 1.00 0.74 H new ATOM 0 HG22 VAL A 113 5.122 -0.708 8.681 1.00 0.74 H new ATOM 0 HG23 VAL A 113 6.688 -0.577 7.847 1.00 0.74 H new ATOM 1681 N LEU A 114 7.643 -3.101 6.763 1.00 0.91 N ATOM 1682 CA LEU A 114 8.954 -3.154 7.368 1.00 1.03 C ATOM 1683 C LEU A 114 9.324 -1.733 7.772 1.00 1.16 C ATOM 1684 O LEU A 114 9.615 -0.882 6.933 1.00 1.14 O ATOM 1685 CB LEU A 114 9.971 -3.715 6.371 1.00 1.17 C ATOM 1686 CG LEU A 114 11.356 -3.995 6.977 1.00 0.80 C ATOM 1687 CD1 LEU A 114 11.361 -5.316 7.753 1.00 1.86 C ATOM 1688 CD2 LEU A 114 12.384 -4.086 5.845 1.00 1.98 C ATOM 0 H LEU A 114 7.654 -3.126 5.743 1.00 0.91 H new ATOM 0 HA LEU A 114 8.954 -3.808 8.240 1.00 1.03 H new ATOM 0 HB2 LEU A 114 9.578 -4.640 5.949 1.00 1.17 H new ATOM 0 HB3 LEU A 114 10.083 -3.010 5.547 1.00 1.17 H new ATOM 0 HG LEU A 114 11.604 -3.185 7.663 1.00 0.80 H new ATOM 0 HD11 LEU A 114 12.353 -5.489 8.171 1.00 1.86 H new ATOM 0 HD12 LEU A 114 10.631 -5.266 8.561 1.00 1.86 H new ATOM 0 HD13 LEU A 114 11.103 -6.134 7.080 1.00 1.86 H new ATOM 0 HD21 LEU A 114 13.370 -4.284 6.264 1.00 1.98 H new ATOM 0 HD22 LEU A 114 12.108 -4.894 5.167 1.00 1.98 H new ATOM 0 HD23 LEU A 114 12.406 -3.144 5.297 1.00 1.98 H new ATOM 1700 N TYR A 115 9.420 -1.515 9.076 1.00 1.72 N ATOM 1701 CA TYR A 115 10.095 -0.377 9.669 1.00 2.16 C ATOM 1702 C TYR A 115 11.581 -0.696 9.517 1.00 2.11 C ATOM 1703 O TYR A 115 12.267 -1.081 10.461 1.00 2.44 O ATOM 1704 CB TYR A 115 9.625 -0.194 11.131 1.00 2.77 C ATOM 1705 CG TYR A 115 10.604 0.388 12.144 1.00 3.27 C ATOM 1706 CD1 TYR A 115 10.764 -0.232 13.398 1.00 4.91 C ATOM 1707 CD2 TYR A 115 11.470 1.432 11.779 1.00 2.90 C ATOM 1708 CE1 TYR A 115 11.778 0.192 14.275 1.00 5.93 C ATOM 1709 CE2 TYR A 115 12.524 1.813 12.627 1.00 4.05 C ATOM 1710 CZ TYR A 115 12.679 1.191 13.874 1.00 5.46 C ATOM 1711 OH TYR A 115 13.701 1.550 14.700 1.00 6.79 O ATOM 0 H TYR A 115 9.017 -2.146 9.768 1.00 1.72 H new ATOM 0 HA TYR A 115 9.873 0.578 9.192 1.00 2.16 H new ATOM 0 HB2 TYR A 115 8.743 0.446 11.118 1.00 2.77 H new ATOM 0 HB3 TYR A 115 9.306 -1.169 11.501 1.00 2.77 H new ATOM 0 HD1 TYR A 115 10.105 -1.037 13.688 1.00 4.91 H new ATOM 0 HD2 TYR A 115 11.325 1.946 10.840 1.00 2.90 H new ATOM 0 HE1 TYR A 115 11.864 -0.251 15.256 1.00 5.93 H new ATOM 0 HE2 TYR A 115 13.214 2.584 12.318 1.00 4.05 H new ATOM 0 HH TYR A 115 14.234 2.253 14.274 1.00 6.79 H new ATOM 1721 N ASN A 116 12.060 -0.523 8.284 1.00 1.75 N ATOM 1722 CA ASN A 116 13.461 -0.396 7.909 1.00 1.75 C ATOM 1723 C ASN A 116 14.235 -1.703 8.107 1.00 1.16 C ATOM 1724 O ASN A 116 14.656 -2.320 7.135 1.00 1.03 O ATOM 1725 CB ASN A 116 14.105 0.796 8.642 1.00 2.60 C ATOM 1726 CG ASN A 116 13.280 2.087 8.565 1.00 4.63 C ATOM 1727 OD1 ASN A 116 13.260 2.861 9.517 1.00 6.20 O ATOM 1728 ND2 ASN A 116 12.562 2.331 7.472 1.00 5.31 N ATOM 0 H ASN A 116 11.440 -0.465 7.476 1.00 1.75 H new ATOM 0 HA ASN A 116 13.509 -0.189 6.840 1.00 1.75 H new ATOM 0 HB2 ASN A 116 14.251 0.531 9.689 1.00 2.60 H new ATOM 0 HB3 ASN A 116 15.092 0.981 8.219 1.00 2.60 H new ATOM 0 HD21 ASN A 116 11.985 3.170 7.418 1.00 5.31 H new ATOM 0 HD22 ASN A 116 12.588 1.679 6.688 1.00 5.31 H new ATOM 1735 N GLN A 117 14.429 -2.107 9.362 1.00 1.16 N ATOM 1736 CA GLN A 117 15.139 -3.306 9.786 1.00 0.92 C ATOM 1737 C GLN A 117 14.273 -4.165 10.728 1.00 1.32 C ATOM 1738 O GLN A 117 14.763 -5.152 11.273 1.00 1.65 O ATOM 1739 CB GLN A 117 16.443 -2.896 10.495 1.00 1.04 C ATOM 1740 CG GLN A 117 17.237 -1.772 9.815 1.00 1.17 C ATOM 1741 CD GLN A 117 17.598 -2.093 8.370 1.00 2.30 C ATOM 1742 OE1 GLN A 117 18.030 -3.197 8.057 1.00 3.95 O ATOM 1743 NE2 GLN A 117 17.432 -1.123 7.476 1.00 2.58 N ATOM 0 H GLN A 117 14.072 -1.572 10.154 1.00 1.16 H new ATOM 0 HA GLN A 117 15.368 -3.906 8.905 1.00 0.92 H new ATOM 0 HB2 GLN A 117 16.201 -2.584 11.511 1.00 1.04 H new ATOM 0 HB3 GLN A 117 17.084 -3.774 10.575 1.00 1.04 H new ATOM 0 HG2 GLN A 117 16.652 -0.853 9.843 1.00 1.17 H new ATOM 0 HG3 GLN A 117 18.150 -1.586 10.380 1.00 1.17 H new ATOM 0 HE21 GLN A 117 17.070 -0.216 7.769 1.00 2.58 H new ATOM 0 HE22 GLN A 117 17.666 -1.286 6.497 1.00 2.58 H new ATOM 1752 N ALA A 118 13.008 -3.789 10.961 1.00 1.67 N ATOM 1753 CA ALA A 118 12.088 -4.438 11.890 1.00 2.13 C ATOM 1754 C ALA A 118 10.665 -4.212 11.379 1.00 1.86 C ATOM 1755 O ALA A 118 10.496 -3.518 10.385 1.00 2.15 O ATOM 1756 CB ALA A 118 12.270 -3.836 13.286 1.00 2.68 C ATOM 0 H ALA A 118 12.586 -2.991 10.485 1.00 1.67 H new ATOM 0 HA ALA A 118 12.285 -5.508 11.954 1.00 2.13 H new ATOM 0 HB1 ALA A 118 11.584 -4.318 13.983 1.00 2.68 H new ATOM 0 HB2 ALA A 118 13.296 -3.993 13.619 1.00 2.68 H new ATOM 0 HB3 ALA A 118 12.060 -2.767 13.252 1.00 2.68 H new ATOM 1762 N GLU A 119 9.643 -4.781 12.027 1.00 1.60 N ATOM 1763 CA GLU A 119 8.241 -4.633 11.634 1.00 1.47 C ATOM 1764 C GLU A 119 7.474 -3.948 12.770 1.00 1.27 C ATOM 1765 O GLU A 119 7.052 -4.628 13.700 1.00 1.65 O ATOM 1766 CB GLU A 119 7.673 -6.028 11.319 1.00 1.87 C ATOM 1767 CG GLU A 119 6.239 -5.983 10.766 1.00 2.04 C ATOM 1768 CD GLU A 119 5.658 -7.377 10.549 1.00 2.79 C ATOM 1769 OE1 GLU A 119 6.464 -8.305 10.328 1.00 3.13 O ATOM 1770 OE2 GLU A 119 4.412 -7.484 10.592 1.00 3.71 O ATOM 0 H GLU A 119 9.771 -5.366 12.852 1.00 1.60 H new ATOM 0 HA GLU A 119 8.143 -4.013 10.743 1.00 1.47 H new ATOM 0 HB2 GLU A 119 8.320 -6.523 10.595 1.00 1.87 H new ATOM 0 HB3 GLU A 119 7.688 -6.633 12.225 1.00 1.87 H new ATOM 0 HG2 GLU A 119 5.603 -5.430 11.457 1.00 2.04 H new ATOM 0 HG3 GLU A 119 6.233 -5.438 9.822 1.00 2.04 H new ATOM 1777 N LYS A 120 7.307 -2.616 12.727 1.00 0.91 N ATOM 1778 CA LYS A 120 6.449 -1.841 13.616 1.00 0.67 C ATOM 1779 C LYS A 120 5.705 -0.809 12.789 1.00 0.65 C ATOM 1780 O LYS A 120 5.759 0.401 13.021 1.00 0.93 O ATOM 1781 CB LYS A 120 7.246 -1.223 14.771 1.00 0.93 C ATOM 1782 CG LYS A 120 7.861 -2.299 15.672 1.00 1.60 C ATOM 1783 CD LYS A 120 6.815 -3.214 16.304 1.00 1.87 C ATOM 1784 CE LYS A 120 5.968 -2.553 17.389 1.00 2.74 C ATOM 1785 NZ LYS A 120 6.757 -2.206 18.589 1.00 4.52 N ATOM 0 H LYS A 120 7.789 -2.034 12.042 1.00 0.91 H new ATOM 0 HA LYS A 120 5.717 -2.494 14.091 1.00 0.67 H new ATOM 0 HB2 LYS A 120 8.036 -0.589 14.370 1.00 0.93 H new ATOM 0 HB3 LYS A 120 6.592 -0.582 15.363 1.00 0.93 H new ATOM 0 HG2 LYS A 120 8.557 -2.901 15.088 1.00 1.60 H new ATOM 0 HG3 LYS A 120 8.440 -1.818 16.461 1.00 1.60 H new ATOM 0 HD2 LYS A 120 6.154 -3.585 15.521 1.00 1.87 H new ATOM 0 HD3 LYS A 120 7.319 -4.080 16.732 1.00 1.87 H new ATOM 0 HE2 LYS A 120 5.508 -1.650 16.987 1.00 2.74 H new ATOM 0 HE3 LYS A 120 5.158 -3.225 17.672 1.00 2.74 H new ATOM 0 HZ1 LYS A 120 6.119 -1.871 19.339 1.00 4.52 H new ATOM 0 HZ2 LYS A 120 7.271 -3.047 18.922 1.00 4.52 H new ATOM 0 HZ3 LYS A 120 7.437 -1.456 18.352 1.00 4.52 H new ATOM 1799 N GLY A 121 4.979 -1.344 11.819 1.00 0.55 N ATOM 1800 CA GLY A 121 3.914 -0.607 11.172 1.00 0.53 C ATOM 1801 C GLY A 121 2.912 -1.536 10.498 1.00 0.44 C ATOM 1802 O GLY A 121 3.291 -2.593 9.992 1.00 0.55 O ATOM 0 H GLY A 121 5.112 -2.291 11.464 1.00 0.55 H new ATOM 0 HA2 GLY A 121 3.399 0.010 11.909 1.00 0.53 H new ATOM 0 HA3 GLY A 121 4.339 0.070 10.430 1.00 0.53 H new ATOM 1806 N SER A 122 1.647 -1.121 10.481 1.00 0.58 N ATOM 1807 CA SER A 122 0.564 -1.755 9.741 1.00 0.55 C ATOM 1808 C SER A 122 0.189 -0.846 8.570 1.00 0.40 C ATOM 1809 O SER A 122 0.452 0.354 8.621 1.00 0.59 O ATOM 1810 CB SER A 122 -0.622 -1.986 10.681 1.00 0.80 C ATOM 1811 OG SER A 122 -0.882 -0.821 11.444 1.00 0.96 O ATOM 0 H SER A 122 1.339 -0.301 11.004 1.00 0.58 H new ATOM 0 HA SER A 122 0.869 -2.725 9.348 1.00 0.55 H new ATOM 0 HB2 SER A 122 -1.506 -2.254 10.102 1.00 0.80 H new ATOM 0 HB3 SER A 122 -0.410 -2.824 11.345 1.00 0.80 H new ATOM 0 HG SER A 122 -1.644 -0.983 12.039 1.00 0.96 H new ATOM 1817 N TYR A 123 -0.413 -1.393 7.513 1.00 0.43 N ATOM 1818 CA TYR A 123 -0.835 -0.626 6.352 1.00 0.56 C ATOM 1819 C TYR A 123 -2.148 -1.181 5.814 1.00 0.55 C ATOM 1820 O TYR A 123 -2.402 -2.381 5.913 1.00 0.55 O ATOM 1821 CB TYR A 123 0.304 -0.573 5.323 1.00 0.85 C ATOM 1822 CG TYR A 123 -0.062 -0.486 3.851 1.00 0.67 C ATOM 1823 CD1 TYR A 123 0.292 0.655 3.106 1.00 1.95 C ATOM 1824 CD2 TYR A 123 -0.504 -1.642 3.179 1.00 1.57 C ATOM 1825 CE1 TYR A 123 0.244 0.623 1.702 1.00 2.29 C ATOM 1826 CE2 TYR A 123 -0.603 -1.654 1.778 1.00 1.77 C ATOM 1827 CZ TYR A 123 -0.201 -0.529 1.038 1.00 1.60 C ATOM 1828 OH TYR A 123 -0.195 -0.559 -0.323 1.00 2.14 O ATOM 0 H TYR A 123 -0.621 -2.389 7.443 1.00 0.43 H new ATOM 0 HA TYR A 123 -1.040 0.410 6.623 1.00 0.56 H new ATOM 0 HB2 TYR A 123 0.929 0.287 5.562 1.00 0.85 H new ATOM 0 HB3 TYR A 123 0.919 -1.462 5.461 1.00 0.85 H new ATOM 0 HD1 TYR A 123 0.601 1.556 3.614 1.00 1.95 H new ATOM 0 HD2 TYR A 123 -0.768 -2.524 3.744 1.00 1.57 H new ATOM 0 HE1 TYR A 123 0.551 1.488 1.133 1.00 2.29 H new ATOM 0 HE2 TYR A 123 -0.987 -2.526 1.270 1.00 1.77 H new ATOM 0 HH TYR A 123 -0.424 -1.461 -0.631 1.00 2.14 H new ATOM 1838 N SER A 124 -2.976 -0.297 5.254 1.00 0.71 N ATOM 1839 CA SER A 124 -4.343 -0.579 4.877 1.00 0.80 C ATOM 1840 C SER A 124 -4.582 0.129 3.552 1.00 0.77 C ATOM 1841 O SER A 124 -4.507 1.355 3.488 1.00 0.88 O ATOM 1842 CB SER A 124 -5.294 -0.053 5.958 1.00 1.13 C ATOM 1843 OG SER A 124 -4.964 -0.615 7.214 1.00 1.95 O ATOM 0 H SER A 124 -2.695 0.662 5.048 1.00 0.71 H new ATOM 0 HA SER A 124 -4.522 -1.649 4.776 1.00 0.80 H new ATOM 0 HB2 SER A 124 -5.232 1.034 6.010 1.00 1.13 H new ATOM 0 HB3 SER A 124 -6.323 -0.301 5.699 1.00 1.13 H new ATOM 0 HG SER A 124 -5.576 -0.271 7.897 1.00 1.95 H new ATOM 1849 N LEU A 125 -4.823 -0.642 2.499 1.00 0.71 N ATOM 1850 CA LEU A 125 -4.997 -0.139 1.139 1.00 0.67 C ATOM 1851 C LEU A 125 -6.321 -0.681 0.619 1.00 0.80 C ATOM 1852 O LEU A 125 -6.704 -1.763 1.036 1.00 1.16 O ATOM 1853 CB LEU A 125 -3.808 -0.651 0.320 1.00 0.64 C ATOM 1854 CG LEU A 125 -3.598 -0.088 -1.089 1.00 0.63 C ATOM 1855 CD1 LEU A 125 -4.724 -0.321 -2.098 1.00 1.32 C ATOM 1856 CD2 LEU A 125 -3.131 1.364 -1.031 1.00 1.28 C ATOM 0 H LEU A 125 -4.905 -1.656 2.566 1.00 0.71 H new ATOM 0 HA LEU A 125 -5.024 0.949 1.081 1.00 0.67 H new ATOM 0 HB2 LEU A 125 -2.902 -0.457 0.894 1.00 0.64 H new ATOM 0 HB3 LEU A 125 -3.905 -1.733 0.234 1.00 0.64 H new ATOM 0 HG LEU A 125 -2.798 -0.697 -1.510 1.00 0.63 H new ATOM 0 HD11 LEU A 125 -4.453 0.125 -3.055 1.00 1.32 H new ATOM 0 HD12 LEU A 125 -4.880 -1.392 -2.228 1.00 1.32 H new ATOM 0 HD13 LEU A 125 -5.642 0.137 -1.731 1.00 1.32 H new ATOM 0 HD21 LEU A 125 -2.989 1.741 -2.044 1.00 1.28 H new ATOM 0 HD22 LEU A 125 -3.882 1.968 -0.521 1.00 1.28 H new ATOM 0 HD23 LEU A 125 -2.188 1.422 -0.487 1.00 1.28 H new ATOM 1868 N GLY A 126 -7.013 0.019 -0.276 1.00 0.74 N ATOM 1869 CA GLY A 126 -8.173 -0.498 -0.995 1.00 0.71 C ATOM 1870 C GLY A 126 -8.268 0.130 -2.386 1.00 0.89 C ATOM 1871 O GLY A 126 -8.096 1.344 -2.521 1.00 1.54 O ATOM 0 H GLY A 126 -6.778 0.980 -0.526 1.00 0.74 H new ATOM 0 HA2 GLY A 126 -8.099 -1.582 -1.084 1.00 0.71 H new ATOM 0 HA3 GLY A 126 -9.081 -0.285 -0.431 1.00 0.71 H new ATOM 1875 N ILE A 127 -8.513 -0.679 -3.425 1.00 0.78 N ATOM 1876 CA ILE A 127 -8.714 -0.178 -4.778 1.00 0.83 C ATOM 1877 C ILE A 127 -10.151 0.342 -4.908 1.00 0.82 C ATOM 1878 O ILE A 127 -11.045 -0.166 -4.232 1.00 0.96 O ATOM 1879 CB ILE A 127 -8.393 -1.287 -5.808 1.00 1.08 C ATOM 1880 CG1 ILE A 127 -7.550 -0.782 -6.987 1.00 1.52 C ATOM 1881 CG2 ILE A 127 -9.630 -2.051 -6.313 1.00 1.76 C ATOM 1882 CD1 ILE A 127 -8.082 0.480 -7.657 1.00 3.00 C ATOM 0 H ILE A 127 -8.576 -1.694 -3.345 1.00 0.78 H new ATOM 0 HA ILE A 127 -8.035 0.650 -4.983 1.00 0.83 H new ATOM 0 HB ILE A 127 -7.791 -2.002 -5.247 1.00 1.08 H new ATOM 0 HG12 ILE A 127 -6.536 -0.590 -6.635 1.00 1.52 H new ATOM 0 HG13 ILE A 127 -7.484 -1.573 -7.734 1.00 1.52 H new ATOM 0 HG21 ILE A 127 -9.321 -2.810 -7.031 1.00 1.76 H new ATOM 0 HG22 ILE A 127 -10.131 -2.530 -5.471 1.00 1.76 H new ATOM 0 HG23 ILE A 127 -10.316 -1.354 -6.795 1.00 1.76 H new ATOM 0 HD11 ILE A 127 -7.423 0.762 -8.478 1.00 3.00 H new ATOM 0 HD12 ILE A 127 -9.083 0.292 -8.044 1.00 3.00 H new ATOM 0 HD13 ILE A 127 -8.121 1.290 -6.929 1.00 3.00 H new ATOM 1894 N PHE A 128 -10.414 1.295 -5.808 1.00 0.79 N ATOM 1895 CA PHE A 128 -11.769 1.549 -6.260 1.00 0.76 C ATOM 1896 C PHE A 128 -11.830 1.881 -7.750 1.00 1.13 C ATOM 1897 O PHE A 128 -10.837 2.262 -8.379 1.00 1.55 O ATOM 1898 CB PHE A 128 -12.415 2.633 -5.388 1.00 1.75 C ATOM 1899 CG PHE A 128 -13.892 2.821 -5.663 1.00 2.45 C ATOM 1900 CD1 PHE A 128 -14.337 3.922 -6.418 1.00 3.25 C ATOM 1901 CD2 PHE A 128 -14.793 1.793 -5.328 1.00 3.47 C ATOM 1902 CE1 PHE A 128 -15.680 4.000 -6.826 1.00 4.28 C ATOM 1903 CE2 PHE A 128 -16.135 1.869 -5.741 1.00 4.45 C ATOM 1904 CZ PHE A 128 -16.579 2.973 -6.489 1.00 4.64 C ATOM 0 H PHE A 128 -9.706 1.895 -6.230 1.00 0.79 H new ATOM 0 HA PHE A 128 -12.348 0.633 -6.143 1.00 0.76 H new ATOM 0 HB2 PHE A 128 -12.278 2.374 -4.338 1.00 1.75 H new ATOM 0 HB3 PHE A 128 -11.898 3.578 -5.553 1.00 1.75 H new ATOM 0 HD1 PHE A 128 -13.646 4.708 -6.684 1.00 3.25 H new ATOM 0 HD2 PHE A 128 -14.453 0.944 -4.753 1.00 3.47 H new ATOM 0 HE1 PHE A 128 -16.021 4.850 -7.399 1.00 4.28 H new ATOM 0 HE2 PHE A 128 -16.825 1.079 -5.483 1.00 4.45 H new ATOM 0 HZ PHE A 128 -17.610 3.032 -6.805 1.00 4.64 H new ATOM 1914 N GLY A 129 -13.027 1.676 -8.309 1.00 1.72 N ATOM 1915 CA GLY A 129 -13.361 1.958 -9.697 1.00 2.57 C ATOM 1916 C GLY A 129 -13.490 0.681 -10.525 1.00 1.85 C ATOM 1917 O GLY A 129 -13.769 0.740 -11.723 1.00 2.72 O ATOM 0 H GLY A 129 -13.814 1.295 -7.783 1.00 1.72 H new ATOM 0 HA2 GLY A 129 -14.298 2.513 -9.739 1.00 2.57 H new ATOM 0 HA3 GLY A 129 -12.592 2.596 -10.132 1.00 2.57 H new ATOM 1921 N GLY A 130 -13.287 -0.481 -9.895 1.00 1.18 N ATOM 1922 CA GLY A 130 -13.621 -1.786 -10.446 1.00 1.90 C ATOM 1923 C GLY A 130 -12.561 -2.250 -11.436 1.00 1.99 C ATOM 1924 O GLY A 130 -11.899 -3.258 -11.219 1.00 2.95 O ATOM 0 H GLY A 130 -12.875 -0.534 -8.964 1.00 1.18 H new ATOM 0 HA2 GLY A 130 -13.712 -2.513 -9.639 1.00 1.90 H new ATOM 0 HA3 GLY A 130 -14.590 -1.738 -10.942 1.00 1.90 H new ATOM 1928 N LYS A 131 -12.365 -1.487 -12.515 1.00 1.62 N ATOM 1929 CA LYS A 131 -11.284 -1.738 -13.458 1.00 1.60 C ATOM 1930 C LYS A 131 -9.916 -1.373 -12.858 1.00 1.48 C ATOM 1931 O LYS A 131 -8.897 -1.723 -13.444 1.00 2.07 O ATOM 1932 CB LYS A 131 -11.574 -1.032 -14.793 1.00 1.72 C ATOM 1933 CG LYS A 131 -11.163 0.444 -14.785 1.00 1.64 C ATOM 1934 CD LYS A 131 -11.682 1.197 -16.020 1.00 1.90 C ATOM 1935 CE LYS A 131 -13.132 1.684 -15.849 1.00 3.16 C ATOM 1936 NZ LYS A 131 -13.310 3.069 -16.338 1.00 3.80 N ATOM 0 H LYS A 131 -12.949 -0.685 -12.754 1.00 1.62 H new ATOM 0 HA LYS A 131 -11.233 -2.807 -13.667 1.00 1.60 H new ATOM 0 HB2 LYS A 131 -11.044 -1.548 -15.594 1.00 1.72 H new ATOM 0 HB3 LYS A 131 -12.639 -1.107 -15.015 1.00 1.72 H new ATOM 0 HG2 LYS A 131 -11.546 0.921 -13.883 1.00 1.64 H new ATOM 0 HG3 LYS A 131 -10.076 0.517 -14.747 1.00 1.64 H new ATOM 0 HD2 LYS A 131 -11.036 2.052 -16.218 1.00 1.90 H new ATOM 0 HD3 LYS A 131 -11.622 0.544 -16.891 1.00 1.90 H new ATOM 0 HE2 LYS A 131 -13.805 1.019 -16.390 1.00 3.16 H new ATOM 0 HE3 LYS A 131 -13.411 1.632 -14.797 1.00 3.16 H new ATOM 0 HZ1 LYS A 131 -14.282 3.384 -16.143 1.00 3.80 H new ATOM 0 HZ2 LYS A 131 -12.639 3.698 -15.852 1.00 3.80 H new ATOM 0 HZ3 LYS A 131 -13.134 3.101 -17.363 1.00 3.80 H new ATOM 1950 N ALA A 132 -9.916 -0.660 -11.720 1.00 1.11 N ATOM 1951 CA ALA A 132 -8.788 -0.089 -11.002 1.00 1.04 C ATOM 1952 C ALA A 132 -8.627 1.354 -11.467 1.00 1.24 C ATOM 1953 O ALA A 132 -8.075 1.591 -12.539 1.00 1.91 O ATOM 1954 CB ALA A 132 -7.490 -0.901 -11.121 1.00 1.07 C ATOM 0 H ALA A 132 -10.794 -0.455 -11.243 1.00 1.11 H new ATOM 0 HA ALA A 132 -9.001 -0.119 -9.934 1.00 1.04 H new ATOM 0 HB1 ALA A 132 -6.699 -0.407 -10.557 1.00 1.07 H new ATOM 0 HB2 ALA A 132 -7.649 -1.902 -10.721 1.00 1.07 H new ATOM 0 HB3 ALA A 132 -7.199 -0.971 -12.169 1.00 1.07 H new ATOM 1960 N GLN A 133 -9.182 2.324 -10.734 1.00 0.87 N ATOM 1961 CA GLN A 133 -9.137 3.726 -11.141 1.00 1.01 C ATOM 1962 C GLN A 133 -8.270 4.521 -10.176 1.00 0.94 C ATOM 1963 O GLN A 133 -7.250 5.068 -10.587 1.00 1.13 O ATOM 1964 CB GLN A 133 -10.554 4.290 -11.305 1.00 1.12 C ATOM 1965 CG GLN A 133 -11.387 3.498 -12.330 1.00 1.39 C ATOM 1966 CD GLN A 133 -10.941 3.707 -13.776 1.00 1.82 C ATOM 1967 OE1 GLN A 133 -11.668 4.292 -14.578 1.00 2.11 O ATOM 1968 NE2 GLN A 133 -9.794 3.164 -14.168 1.00 3.08 N ATOM 0 H GLN A 133 -9.669 2.160 -9.853 1.00 0.87 H new ATOM 0 HA GLN A 133 -8.669 3.811 -12.122 1.00 1.01 H new ATOM 0 HB2 GLN A 133 -11.061 4.276 -10.340 1.00 1.12 H new ATOM 0 HB3 GLN A 133 -10.493 5.332 -11.618 1.00 1.12 H new ATOM 0 HG2 GLN A 133 -11.328 2.436 -12.091 1.00 1.39 H new ATOM 0 HG3 GLN A 133 -12.434 3.788 -12.236 1.00 1.39 H new ATOM 0 HE21 GLN A 133 -9.201 2.682 -13.493 1.00 3.08 H new ATOM 0 HE22 GLN A 133 -9.506 3.229 -15.144 1.00 3.08 H new ATOM 1977 N GLU A 134 -8.637 4.533 -8.895 1.00 0.84 N ATOM 1978 CA GLU A 134 -7.781 5.084 -7.861 1.00 0.88 C ATOM 1979 C GLU A 134 -7.781 4.115 -6.692 1.00 0.83 C ATOM 1980 O GLU A 134 -8.824 3.544 -6.370 1.00 1.21 O ATOM 1981 CB GLU A 134 -8.251 6.476 -7.433 1.00 1.27 C ATOM 1982 CG GLU A 134 -8.151 7.488 -8.591 1.00 1.58 C ATOM 1983 CD GLU A 134 -7.951 8.918 -8.101 1.00 2.51 C ATOM 1984 OE1 GLU A 134 -7.730 9.822 -8.939 1.00 3.70 O ATOM 1985 OE2 GLU A 134 -7.926 9.152 -6.871 1.00 3.08 O ATOM 0 H GLU A 134 -9.525 4.165 -8.554 1.00 0.84 H new ATOM 0 HA GLU A 134 -6.767 5.206 -8.242 1.00 0.88 H new ATOM 0 HB2 GLU A 134 -9.282 6.421 -7.084 1.00 1.27 H new ATOM 0 HB3 GLU A 134 -7.649 6.822 -6.593 1.00 1.27 H new ATOM 0 HG2 GLU A 134 -7.321 7.211 -9.241 1.00 1.58 H new ATOM 0 HG3 GLU A 134 -9.058 7.437 -9.193 1.00 1.58 H new ATOM 1992 N VAL A 135 -6.611 3.918 -6.082 1.00 0.71 N ATOM 1993 CA VAL A 135 -6.487 3.191 -4.830 1.00 0.70 C ATOM 1994 C VAL A 135 -6.365 4.240 -3.736 1.00 0.93 C ATOM 1995 O VAL A 135 -5.673 5.240 -3.928 1.00 1.41 O ATOM 1996 CB VAL A 135 -5.346 2.144 -4.846 1.00 0.65 C ATOM 1997 CG1 VAL A 135 -4.947 1.666 -6.246 1.00 0.95 C ATOM 1998 CG2 VAL A 135 -4.059 2.557 -4.135 1.00 0.88 C ATOM 0 H VAL A 135 -5.723 4.262 -6.448 1.00 0.71 H new ATOM 0 HA VAL A 135 -7.366 2.573 -4.647 1.00 0.70 H new ATOM 0 HB VAL A 135 -5.814 1.334 -4.287 1.00 0.65 H new ATOM 0 HG11 VAL A 135 -4.142 0.935 -6.165 1.00 0.95 H new ATOM 0 HG12 VAL A 135 -5.807 1.206 -6.732 1.00 0.95 H new ATOM 0 HG13 VAL A 135 -4.607 2.516 -6.838 1.00 0.95 H new ATOM 0 HG21 VAL A 135 -3.329 1.751 -4.207 1.00 0.88 H new ATOM 0 HG22 VAL A 135 -3.656 3.455 -4.604 1.00 0.88 H new ATOM 0 HG23 VAL A 135 -4.272 2.760 -3.086 1.00 0.88 H new ATOM 2008 N ALA A 136 -7.051 4.023 -2.616 1.00 0.79 N ATOM 2009 CA ALA A 136 -6.929 4.842 -1.425 1.00 0.97 C ATOM 2010 C ALA A 136 -6.198 3.993 -0.398 1.00 1.15 C ATOM 2011 O ALA A 136 -6.414 2.779 -0.350 1.00 1.24 O ATOM 2012 CB ALA A 136 -8.322 5.232 -0.924 1.00 1.05 C ATOM 0 H ALA A 136 -7.718 3.258 -2.515 1.00 0.79 H new ATOM 0 HA ALA A 136 -6.383 5.766 -1.618 1.00 0.97 H new ATOM 0 HB1 ALA A 136 -8.228 5.847 -0.029 1.00 1.05 H new ATOM 0 HB2 ALA A 136 -8.843 5.795 -1.698 1.00 1.05 H new ATOM 0 HB3 ALA A 136 -8.889 4.332 -0.687 1.00 1.05 H new ATOM 2018 N GLY A 137 -5.324 4.595 0.408 1.00 1.22 N ATOM 2019 CA GLY A 137 -4.649 3.840 1.442 1.00 1.31 C ATOM 2020 C GLY A 137 -4.258 4.715 2.613 1.00 1.25 C ATOM 2021 O GLY A 137 -4.375 5.940 2.579 1.00 1.21 O ATOM 0 H GLY A 137 -5.076 5.583 0.361 1.00 1.22 H new ATOM 0 HA2 GLY A 137 -5.300 3.037 1.789 1.00 1.31 H new ATOM 0 HA3 GLY A 137 -3.758 3.370 1.026 1.00 1.31 H new ATOM 2025 N SER A 138 -3.765 4.064 3.659 1.00 1.26 N ATOM 2026 CA SER A 138 -3.089 4.694 4.775 1.00 1.17 C ATOM 2027 C SER A 138 -2.186 3.643 5.402 1.00 0.92 C ATOM 2028 O SER A 138 -2.311 2.454 5.102 1.00 1.24 O ATOM 2029 CB SER A 138 -4.106 5.218 5.801 1.00 1.26 C ATOM 2030 OG SER A 138 -4.896 6.267 5.274 1.00 2.00 O ATOM 0 H SER A 138 -3.829 3.050 3.752 1.00 1.26 H new ATOM 0 HA SER A 138 -2.506 5.550 4.437 1.00 1.17 H new ATOM 0 HB2 SER A 138 -4.753 4.401 6.120 1.00 1.26 H new ATOM 0 HB3 SER A 138 -3.578 5.571 6.687 1.00 1.26 H new ATOM 0 HG SER A 138 -4.702 6.374 4.319 1.00 2.00 H new ATOM 2036 N ALA A 139 -1.299 4.071 6.292 1.00 0.69 N ATOM 2037 CA ALA A 139 -0.593 3.179 7.179 1.00 0.61 C ATOM 2038 C ALA A 139 -0.542 3.774 8.570 1.00 0.64 C ATOM 2039 O ALA A 139 -0.833 4.955 8.742 1.00 0.76 O ATOM 2040 CB ALA A 139 0.803 2.904 6.617 1.00 0.87 C ATOM 0 H ALA A 139 -1.054 5.054 6.413 1.00 0.69 H new ATOM 0 HA ALA A 139 -1.117 2.226 7.252 1.00 0.61 H new ATOM 0 HB1 ALA A 139 1.338 2.230 7.286 1.00 0.87 H new ATOM 0 HB2 ALA A 139 0.715 2.444 5.633 1.00 0.87 H new ATOM 0 HB3 ALA A 139 1.352 3.842 6.531 1.00 0.87 H new ATOM 2046 N GLU A 140 -0.165 2.937 9.534 1.00 0.64 N ATOM 2047 CA GLU A 140 0.454 3.378 10.767 1.00 0.72 C ATOM 2048 C GLU A 140 1.881 2.845 10.754 1.00 0.69 C ATOM 2049 O GLU A 140 2.076 1.642 10.903 1.00 0.98 O ATOM 2050 CB GLU A 140 -0.334 2.930 12.007 1.00 0.94 C ATOM 2051 CG GLU A 140 0.473 3.317 13.260 1.00 2.16 C ATOM 2052 CD GLU A 140 -0.340 3.501 14.528 1.00 2.35 C ATOM 2053 OE1 GLU A 140 -1.536 3.840 14.449 1.00 2.47 O ATOM 2054 OE2 GLU A 140 0.292 3.447 15.608 1.00 3.35 O ATOM 0 H GLU A 140 -0.285 1.926 9.474 1.00 0.64 H new ATOM 0 HA GLU A 140 0.458 4.466 10.827 1.00 0.72 H new ATOM 0 HB2 GLU A 140 -1.315 3.405 12.026 1.00 0.94 H new ATOM 0 HB3 GLU A 140 -0.502 1.853 11.981 1.00 0.94 H new ATOM 0 HG2 GLU A 140 1.224 2.548 13.439 1.00 2.16 H new ATOM 0 HG3 GLU A 140 1.008 4.244 13.054 1.00 2.16 H new ATOM 2061 N VAL A 141 2.865 3.734 10.577 1.00 0.62 N ATOM 2062 CA VAL A 141 4.281 3.406 10.666 1.00 0.66 C ATOM 2063 C VAL A 141 4.860 4.229 11.808 1.00 0.73 C ATOM 2064 O VAL A 141 4.719 5.449 11.802 1.00 1.04 O ATOM 2065 CB VAL A 141 4.994 3.637 9.316 1.00 0.77 C ATOM 2066 CG1 VAL A 141 4.186 2.971 8.196 1.00 2.12 C ATOM 2067 CG2 VAL A 141 5.201 5.102 8.913 1.00 2.01 C ATOM 0 H VAL A 141 2.690 4.716 10.365 1.00 0.62 H new ATOM 0 HA VAL A 141 4.432 2.348 10.880 1.00 0.66 H new ATOM 0 HB VAL A 141 5.985 3.206 9.454 1.00 0.77 H new ATOM 0 HG11 VAL A 141 4.686 3.132 7.241 1.00 2.12 H new ATOM 0 HG12 VAL A 141 4.109 1.901 8.390 1.00 2.12 H new ATOM 0 HG13 VAL A 141 3.187 3.406 8.160 1.00 2.12 H new ATOM 0 HG21 VAL A 141 5.710 5.146 7.950 1.00 2.01 H new ATOM 0 HG22 VAL A 141 4.234 5.598 8.835 1.00 2.01 H new ATOM 0 HG23 VAL A 141 5.807 5.605 9.667 1.00 2.01 H new ATOM 2077 N LYS A 142 5.462 3.586 12.813 1.00 0.71 N ATOM 2078 CA LYS A 142 6.013 4.316 13.952 1.00 0.89 C ATOM 2079 C LYS A 142 7.509 4.057 14.016 1.00 1.10 C ATOM 2080 O LYS A 142 8.000 3.396 14.929 1.00 1.42 O ATOM 2081 CB LYS A 142 5.261 3.960 15.240 1.00 1.08 C ATOM 2082 CG LYS A 142 5.392 2.480 15.621 1.00 1.19 C ATOM 2083 CD LYS A 142 4.018 1.802 15.734 1.00 1.50 C ATOM 2084 CE LYS A 142 3.251 2.285 16.976 1.00 2.22 C ATOM 2085 NZ LYS A 142 1.837 1.860 16.962 1.00 2.74 N ATOM 0 H LYS A 142 5.578 2.574 12.859 1.00 0.71 H new ATOM 0 HA LYS A 142 5.874 5.390 13.830 1.00 0.89 H new ATOM 0 HB2 LYS A 142 5.639 4.575 16.057 1.00 1.08 H new ATOM 0 HB3 LYS A 142 4.206 4.206 15.118 1.00 1.08 H new ATOM 0 HG2 LYS A 142 5.993 1.963 14.873 1.00 1.19 H new ATOM 0 HG3 LYS A 142 5.920 2.393 16.570 1.00 1.19 H new ATOM 0 HD2 LYS A 142 3.433 2.013 14.839 1.00 1.50 H new ATOM 0 HD3 LYS A 142 4.148 0.721 15.783 1.00 1.50 H new ATOM 0 HE2 LYS A 142 3.735 1.898 17.873 1.00 2.22 H new ATOM 0 HE3 LYS A 142 3.301 3.372 17.031 1.00 2.22 H new ATOM 0 HZ1 LYS A 142 1.392 2.105 17.869 1.00 2.74 H new ATOM 0 HZ2 LYS A 142 1.337 2.344 16.189 1.00 2.74 H new ATOM 0 HZ3 LYS A 142 1.785 0.831 16.817 1.00 2.74 H new ATOM 2099 N THR A 143 8.239 4.575 13.027 1.00 1.63 N ATOM 2100 CA THR A 143 9.690 4.494 13.132 1.00 1.96 C ATOM 2101 C THR A 143 10.116 5.547 14.152 1.00 1.67 C ATOM 2102 O THR A 143 9.347 6.463 14.454 1.00 1.44 O ATOM 2103 CB THR A 143 10.410 4.620 11.774 1.00 2.20 C ATOM 2104 OG1 THR A 143 10.772 5.946 11.473 1.00 2.79 O ATOM 2105 CG2 THR A 143 9.618 3.997 10.615 1.00 3.01 C ATOM 0 H THR A 143 7.874 5.030 12.190 1.00 1.63 H new ATOM 0 HA THR A 143 9.990 3.503 13.473 1.00 1.96 H new ATOM 0 HB THR A 143 11.328 4.044 11.885 1.00 2.20 H new ATOM 0 HG1 THR A 143 11.459 5.947 10.774 1.00 2.79 H new ATOM 0 HG21 THR A 143 10.176 4.117 9.687 1.00 3.01 H new ATOM 0 HG22 THR A 143 9.462 2.936 10.810 1.00 3.01 H new ATOM 0 HG23 THR A 143 8.653 4.495 10.525 1.00 3.01 H new ATOM 2113 N VAL A 144 11.359 5.464 14.634 1.00 1.73 N ATOM 2114 CA VAL A 144 11.940 6.501 15.482 1.00 1.53 C ATOM 2115 C VAL A 144 11.776 7.886 14.836 1.00 1.26 C ATOM 2116 O VAL A 144 11.739 8.892 15.540 1.00 1.29 O ATOM 2117 CB VAL A 144 13.413 6.162 15.788 1.00 1.60 C ATOM 2118 CG1 VAL A 144 14.062 7.212 16.703 1.00 1.82 C ATOM 2119 CG2 VAL A 144 13.524 4.799 16.488 1.00 2.05 C ATOM 0 H VAL A 144 11.985 4.681 14.447 1.00 1.73 H new ATOM 0 HA VAL A 144 11.407 6.535 16.432 1.00 1.53 H new ATOM 0 HB VAL A 144 13.931 6.144 14.829 1.00 1.60 H new ATOM 0 HG11 VAL A 144 15.099 6.937 16.895 1.00 1.82 H new ATOM 0 HG12 VAL A 144 14.029 8.187 16.218 1.00 1.82 H new ATOM 0 HG13 VAL A 144 13.519 7.258 17.647 1.00 1.82 H new ATOM 0 HG21 VAL A 144 14.572 4.580 16.694 1.00 2.05 H new ATOM 0 HG22 VAL A 144 12.967 4.825 17.425 1.00 2.05 H new ATOM 0 HG23 VAL A 144 13.112 4.024 15.842 1.00 2.05 H new ATOM 2129 N ASN A 145 11.649 7.943 13.503 1.00 1.21 N ATOM 2130 CA ASN A 145 11.321 9.172 12.789 1.00 1.19 C ATOM 2131 C ASN A 145 10.327 8.821 11.686 1.00 1.26 C ATOM 2132 O ASN A 145 10.593 9.077 10.512 1.00 1.53 O ATOM 2133 CB ASN A 145 12.590 9.801 12.183 1.00 1.46 C ATOM 2134 CG ASN A 145 13.710 9.998 13.196 1.00 1.93 C ATOM 2135 OD1 ASN A 145 13.920 11.092 13.708 1.00 3.00 O ATOM 2136 ND2 ASN A 145 14.457 8.932 13.473 1.00 1.86 N ATOM 0 H ASN A 145 11.772 7.134 12.894 1.00 1.21 H new ATOM 0 HA ASN A 145 10.886 9.899 13.475 1.00 1.19 H new ATOM 0 HB2 ASN A 145 12.950 9.166 11.373 1.00 1.46 H new ATOM 0 HB3 ASN A 145 12.334 10.765 11.743 1.00 1.46 H new ATOM 0 HD21 ASN A 145 15.233 9.010 14.130 1.00 1.86 H new ATOM 0 HD22 ASN A 145 14.253 8.037 13.028 1.00 1.86 H new ATOM 2143 N GLY A 146 9.190 8.222 12.054 1.00 1.17 N ATOM 2144 CA GLY A 146 8.230 7.708 11.093 1.00 1.33 C ATOM 2145 C GLY A 146 6.827 8.114 11.496 1.00 0.90 C ATOM 2146 O GLY A 146 6.497 8.164 12.681 1.00 0.92 O ATOM 0 H GLY A 146 8.917 8.084 13.027 1.00 1.17 H new ATOM 0 HA2 GLY A 146 8.457 8.092 10.098 1.00 1.33 H new ATOM 0 HA3 GLY A 146 8.302 6.622 11.040 1.00 1.33 H new ATOM 2150 N ILE A 147 6.024 8.447 10.491 1.00 0.69 N ATOM 2151 CA ILE A 147 4.771 9.143 10.664 1.00 0.63 C ATOM 2152 C ILE A 147 3.611 8.157 10.763 1.00 0.68 C ATOM 2153 O ILE A 147 3.150 7.623 9.761 1.00 1.13 O ATOM 2154 CB ILE A 147 4.559 10.160 9.523 1.00 0.87 C ATOM 2155 CG1 ILE A 147 4.927 9.576 8.150 1.00 1.36 C ATOM 2156 CG2 ILE A 147 5.274 11.482 9.823 1.00 1.40 C ATOM 2157 CD1 ILE A 147 6.340 9.897 7.651 1.00 1.35 C ATOM 0 H ILE A 147 6.238 8.233 9.517 1.00 0.69 H new ATOM 0 HA ILE A 147 4.806 9.697 11.602 1.00 0.63 H new ATOM 0 HB ILE A 147 3.493 10.383 9.470 1.00 0.87 H new ATOM 0 HG12 ILE A 147 4.814 8.493 8.194 1.00 1.36 H new ATOM 0 HG13 ILE A 147 4.210 9.942 7.415 1.00 1.36 H new ATOM 0 HG21 ILE A 147 5.108 12.180 9.002 1.00 1.40 H new ATOM 0 HG22 ILE A 147 4.881 11.907 10.746 1.00 1.40 H new ATOM 0 HG23 ILE A 147 6.343 11.300 9.934 1.00 1.40 H new ATOM 0 HD11 ILE A 147 6.494 9.437 6.675 1.00 1.35 H new ATOM 0 HD12 ILE A 147 6.459 10.977 7.566 1.00 1.35 H new ATOM 0 HD13 ILE A 147 7.073 9.505 8.357 1.00 1.35 H new ATOM 2169 N ARG A 148 3.110 7.968 11.982 1.00 0.62 N ATOM 2170 CA ARG A 148 1.924 7.164 12.239 1.00 0.68 C ATOM 2171 C ARG A 148 0.807 7.565 11.281 1.00 0.71 C ATOM 2172 O ARG A 148 0.385 6.781 10.444 1.00 1.07 O ATOM 2173 CB ARG A 148 1.436 7.325 13.683 1.00 0.86 C ATOM 2174 CG ARG A 148 2.295 6.565 14.700 1.00 1.84 C ATOM 2175 CD ARG A 148 1.692 6.661 16.112 1.00 2.19 C ATOM 2176 NE ARG A 148 0.323 6.105 16.150 1.00 2.10 N ATOM 2177 CZ ARG A 148 -0.825 6.791 15.995 1.00 2.13 C ATOM 2178 NH1 ARG A 148 -0.848 8.117 16.150 1.00 2.64 N ATOM 2179 NH2 ARG A 148 -1.946 6.162 15.637 1.00 2.43 N ATOM 0 H ARG A 148 3.521 8.373 12.823 1.00 0.62 H new ATOM 0 HA ARG A 148 2.192 6.119 12.083 1.00 0.68 H new ATOM 0 HB2 ARG A 148 1.430 8.384 13.942 1.00 0.86 H new ATOM 0 HB3 ARG A 148 0.406 6.974 13.753 1.00 0.86 H new ATOM 0 HG2 ARG A 148 2.374 5.519 14.405 1.00 1.84 H new ATOM 0 HG3 ARG A 148 3.306 6.972 14.704 1.00 1.84 H new ATOM 0 HD2 ARG A 148 2.325 6.123 16.818 1.00 2.19 H new ATOM 0 HD3 ARG A 148 1.673 7.703 16.432 1.00 2.19 H new ATOM 0 HE ARG A 148 0.240 5.101 16.310 1.00 2.10 H new ATOM 0 HH11 ARG A 148 0.008 8.618 16.388 1.00 2.64 H new ATOM 0 HH12 ARG A 148 -1.722 8.629 16.031 1.00 2.64 H new ATOM 0 HH21 ARG A 148 -1.937 5.154 15.479 1.00 2.43 H new ATOM 0 HH22 ARG A 148 -2.812 6.689 15.522 1.00 2.43 H new ATOM 2193 N HIS A 149 0.319 8.797 11.400 1.00 0.78 N ATOM 2194 CA HIS A 149 -0.724 9.276 10.512 1.00 0.93 C ATOM 2195 C HIS A 149 -0.099 9.594 9.154 1.00 0.96 C ATOM 2196 O HIS A 149 0.259 10.743 8.891 1.00 1.16 O ATOM 2197 CB HIS A 149 -1.453 10.456 11.162 1.00 1.13 C ATOM 2198 CG HIS A 149 -2.196 10.037 12.408 1.00 1.10 C ATOM 2199 ND1 HIS A 149 -3.438 9.444 12.446 1.00 1.92 N ATOM 2200 CD2 HIS A 149 -1.685 10.002 13.677 1.00 1.69 C ATOM 2201 CE1 HIS A 149 -3.670 9.071 13.717 1.00 1.77 C ATOM 2202 NE2 HIS A 149 -2.624 9.373 14.507 1.00 1.25 N ATOM 0 H HIS A 149 0.629 9.473 12.098 1.00 0.78 H new ATOM 0 HA HIS A 149 -1.487 8.517 10.339 1.00 0.93 H new ATOM 0 HB2 HIS A 149 -0.733 11.235 11.413 1.00 1.13 H new ATOM 0 HB3 HIS A 149 -2.154 10.888 10.448 1.00 1.13 H new ATOM 0 HD1 HIS A 149 -4.067 9.312 11.654 1.00 1.92 H new ATOM 0 HD2 HIS A 149 -0.726 10.391 13.985 1.00 1.69 H new ATOM 0 HE1 HIS A 149 -4.576 8.592 14.058 1.00 1.77 H new ATOM 2210 N ILE A 150 0.039 8.559 8.317 1.00 0.88 N ATOM 2211 CA ILE A 150 0.386 8.669 6.906 1.00 0.85 C ATOM 2212 C ILE A 150 -0.785 8.147 6.067 1.00 0.81 C ATOM 2213 O ILE A 150 -1.222 7.005 6.239 1.00 1.09 O ATOM 2214 CB ILE A 150 1.731 7.971 6.611 1.00 1.17 C ATOM 2215 CG1 ILE A 150 2.274 8.397 5.237 1.00 1.90 C ATOM 2216 CG2 ILE A 150 1.639 6.447 6.693 1.00 2.31 C ATOM 2217 CD1 ILE A 150 3.566 7.677 4.844 1.00 2.10 C ATOM 0 H ILE A 150 -0.093 7.594 8.618 1.00 0.88 H new ATOM 0 HA ILE A 150 0.543 9.712 6.630 1.00 0.85 H new ATOM 0 HB ILE A 150 2.424 8.292 7.389 1.00 1.17 H new ATOM 0 HG12 ILE A 150 1.515 8.205 4.479 1.00 1.90 H new ATOM 0 HG13 ILE A 150 2.453 9.472 5.243 1.00 1.90 H new ATOM 0 HG21 ILE A 150 2.614 6.011 6.476 1.00 2.31 H new ATOM 0 HG22 ILE A 150 1.326 6.155 7.695 1.00 2.31 H new ATOM 0 HG23 ILE A 150 0.911 6.087 5.966 1.00 2.31 H new ATOM 0 HD11 ILE A 150 3.893 8.025 3.864 1.00 2.10 H new ATOM 0 HD12 ILE A 150 4.340 7.890 5.582 1.00 2.10 H new ATOM 0 HD13 ILE A 150 3.387 6.603 4.806 1.00 2.10 H new ATOM 2229 N GLY A 151 -1.305 8.998 5.180 1.00 0.69 N ATOM 2230 CA GLY A 151 -2.376 8.665 4.251 1.00 0.88 C ATOM 2231 C GLY A 151 -1.781 8.546 2.852 1.00 0.63 C ATOM 2232 O GLY A 151 -0.682 9.050 2.623 1.00 1.01 O ATOM 0 H GLY A 151 -0.982 9.961 5.089 1.00 0.69 H new ATOM 0 HA2 GLY A 151 -2.852 7.728 4.541 1.00 0.88 H new ATOM 0 HA3 GLY A 151 -3.148 9.434 4.271 1.00 0.88 H new ATOM 2236 N LEU A 152 -2.471 7.895 1.909 1.00 0.74 N ATOM 2237 CA LEU A 152 -1.997 7.823 0.533 1.00 1.35 C ATOM 2238 C LEU A 152 -3.137 7.647 -0.460 1.00 0.90 C ATOM 2239 O LEU A 152 -4.227 7.203 -0.094 1.00 0.81 O ATOM 2240 CB LEU A 152 -0.921 6.735 0.386 1.00 2.28 C ATOM 2241 CG LEU A 152 -1.393 5.279 0.452 1.00 1.27 C ATOM 2242 CD1 LEU A 152 -1.940 4.785 -0.896 1.00 0.93 C ATOM 2243 CD2 LEU A 152 -0.202 4.402 0.847 1.00 0.79 C ATOM 0 H LEU A 152 -3.355 7.414 2.078 1.00 0.74 H new ATOM 0 HA LEU A 152 -1.534 8.780 0.290 1.00 1.35 H new ATOM 0 HB2 LEU A 152 -0.416 6.885 -0.568 1.00 2.28 H new ATOM 0 HB3 LEU A 152 -0.177 6.886 1.168 1.00 2.28 H new ATOM 0 HG LEU A 152 -2.199 5.217 1.183 1.00 1.27 H new ATOM 0 HD11 LEU A 152 -2.262 3.748 -0.800 1.00 0.93 H new ATOM 0 HD12 LEU A 152 -2.788 5.402 -1.193 1.00 0.93 H new ATOM 0 HD13 LEU A 152 -1.159 4.853 -1.653 1.00 0.93 H new ATOM 0 HD21 LEU A 152 -0.519 3.360 0.899 1.00 0.79 H new ATOM 0 HD22 LEU A 152 0.588 4.504 0.103 1.00 0.79 H new ATOM 0 HD23 LEU A 152 0.174 4.716 1.821 1.00 0.79 H new ATOM 2255 N ALA A 153 -2.862 7.969 -1.726 1.00 0.87 N ATOM 2256 CA ALA A 153 -3.781 7.732 -2.829 1.00 0.89 C ATOM 2257 C ALA A 153 -2.985 7.477 -4.107 1.00 0.80 C ATOM 2258 O ALA A 153 -1.863 7.973 -4.233 1.00 0.91 O ATOM 2259 CB ALA A 153 -4.721 8.929 -2.998 1.00 1.39 C ATOM 0 H ALA A 153 -1.985 8.405 -2.011 1.00 0.87 H new ATOM 0 HA ALA A 153 -4.390 6.854 -2.615 1.00 0.89 H new ATOM 0 HB1 ALA A 153 -5.404 8.741 -3.826 1.00 1.39 H new ATOM 0 HB2 ALA A 153 -5.293 9.075 -2.082 1.00 1.39 H new ATOM 0 HB3 ALA A 153 -4.136 9.825 -3.207 1.00 1.39 H new ATOM 2265 N ALA A 154 -3.567 6.712 -5.039 1.00 0.90 N ATOM 2266 CA ALA A 154 -3.013 6.445 -6.362 1.00 0.85 C ATOM 2267 C ALA A 154 -3.901 7.017 -7.455 1.00 0.87 C ATOM 2268 O ALA A 154 -5.115 7.068 -7.284 1.00 1.01 O ATOM 2269 CB ALA A 154 -2.820 4.946 -6.579 1.00 1.06 C ATOM 0 H ALA A 154 -4.463 6.250 -4.884 1.00 0.90 H new ATOM 0 HA ALA A 154 -2.041 6.935 -6.415 1.00 0.85 H new ATOM 0 HB1 ALA A 154 -2.406 4.772 -7.572 1.00 1.06 H new ATOM 0 HB2 ALA A 154 -2.135 4.555 -5.827 1.00 1.06 H new ATOM 0 HB3 ALA A 154 -3.781 4.439 -6.493 1.00 1.06 H new ATOM 2275 N LYS A 155 -3.285 7.455 -8.557 1.00 0.90 N ATOM 2276 CA LYS A 155 -3.949 8.106 -9.683 1.00 1.15 C ATOM 2277 C LYS A 155 -3.335 7.587 -10.963 1.00 1.23 C ATOM 2278 O LYS A 155 -2.239 8.016 -11.347 1.00 1.65 O ATOM 2279 CB LYS A 155 -3.789 9.627 -9.612 1.00 1.69 C ATOM 2280 CG LYS A 155 -4.272 10.083 -8.245 1.00 2.22 C ATOM 2281 CD LYS A 155 -4.580 11.587 -8.242 1.00 2.67 C ATOM 2282 CE LYS A 155 -5.474 12.020 -7.072 1.00 3.99 C ATOM 2283 NZ LYS A 155 -6.834 11.441 -7.150 1.00 4.06 N ATOM 0 H LYS A 155 -2.278 7.362 -8.691 1.00 0.90 H new ATOM 0 HA LYS A 155 -5.015 7.880 -9.651 1.00 1.15 H new ATOM 0 HB2 LYS A 155 -2.747 9.909 -9.762 1.00 1.69 H new ATOM 0 HB3 LYS A 155 -4.366 10.109 -10.401 1.00 1.69 H new ATOM 0 HG2 LYS A 155 -5.166 9.525 -7.967 1.00 2.22 H new ATOM 0 HG3 LYS A 155 -3.512 9.863 -7.495 1.00 2.22 H new ATOM 0 HD2 LYS A 155 -3.643 12.143 -8.200 1.00 2.67 H new ATOM 0 HD3 LYS A 155 -5.067 11.853 -9.180 1.00 2.67 H new ATOM 0 HE2 LYS A 155 -5.008 11.719 -6.133 1.00 3.99 H new ATOM 0 HE3 LYS A 155 -5.546 13.108 -7.058 1.00 3.99 H new ATOM 0 HZ1 LYS A 155 -7.523 12.120 -6.769 1.00 4.06 H new ATOM 0 HZ2 LYS A 155 -7.066 11.233 -8.142 1.00 4.06 H new ATOM 0 HZ3 LYS A 155 -6.870 10.563 -6.594 1.00 4.06 H new ATOM 2297 N GLN A 156 -3.997 6.617 -11.588 1.00 1.08 N ATOM 2298 CA GLN A 156 -3.368 5.869 -12.633 1.00 1.27 C ATOM 2299 C GLN A 156 -4.009 6.194 -13.979 1.00 1.93 C ATOM 2300 O GLN A 156 -5.242 6.025 -14.090 1.00 2.83 O ATOM 2301 CB GLN A 156 -3.281 4.420 -12.185 1.00 1.76 C ATOM 2302 CG GLN A 156 -4.610 3.693 -12.314 1.00 1.80 C ATOM 2303 CD GLN A 156 -4.811 3.174 -13.724 1.00 3.23 C ATOM 2304 OE1 GLN A 156 -3.901 3.165 -14.554 1.00 4.51 O ATOM 2305 NE2 GLN A 156 -5.998 2.663 -13.991 1.00 3.96 N ATOM 0 H GLN A 156 -4.958 6.345 -11.381 1.00 1.08 H new ATOM 0 HA GLN A 156 -2.331 6.151 -12.818 1.00 1.27 H new ATOM 0 HB2 GLN A 156 -2.528 3.903 -12.780 1.00 1.76 H new ATOM 0 HB3 GLN A 156 -2.949 4.383 -11.148 1.00 1.76 H new ATOM 0 HG2 GLN A 156 -4.644 2.863 -11.609 1.00 1.80 H new ATOM 0 HG3 GLN A 156 -5.425 4.368 -12.052 1.00 1.80 H new ATOM 0 HE21 GLN A 156 -6.733 2.684 -13.284 1.00 3.96 H new ATOM 0 HE22 GLN A 156 -6.180 2.247 -14.904 1.00 3.96 H new