USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 725 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 46 LYS NZ :NH3+ 167:sc= -0.291 (180deg=-0.679) USER MOD Set 1.2: A 58 ASN : amide:sc= -1.19 K(o=-1.5,f=-3.6!) USER MOD Single : A 1 MET CE :methyl -153:sc= -0.26 (180deg=-0.943) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.876 (180deg=-0.297) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -16:sc= 0.886 USER MOD Single : A 6 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0451) USER MOD Single : A 7 LYS NZ :NH3+ 142:sc= -0.769 (180deg=-2.62!) USER MOD Single : A 9 THR OG1 : rot -68:sc= 0.503 USER MOD Single : A 12 TYR OH : rot 130:sc= -1.58! USER MOD Single : A 14 CYS SG : rot 17:sc= 0.197 USER MOD Single : A 18 TYR OH : rot 30:sc= -2.35 USER MOD Single : A 22 MET CE :methyl 156:sc= -0.706 (180deg=-1.84) USER MOD Single : A 23 THR OG1 : rot 66:sc= -3.09! USER MOD Single : A 24 THR OG1 : rot -110:sc= -0.965 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.121) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 150:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.933 K(o=-0.93,f=-4.6!) USER MOD Single : A 42 LYS NZ :NH3+ 153:sc= -0.0509 (180deg=-0.454) USER MOD Single : A 47 ASN : amide:sc= -2.71 K(o=-2.7,f=-6.9!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.0059) USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0354) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 150:sc= -1.44 USER MOD Single : A 60 SER OG : rot 84:sc= 0.347 USER MOD Single : A 61 MET CE :methyl -170:sc= -2.46 (180deg=-3.26) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -2.76 K(o=-2.8,f=-8!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.3!) USER MOD Single : A 74 GLN : amide:sc= -0.661 K(o=-0.66,f=-2.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 81 LYS NZ :NH3+ -170:sc= -0.0111 (180deg=-0.0754) USER MOD Single : A 84 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.3) USER MOD Single : A 85 THR OG1 : rot -133:sc= 1.77 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -33.303 -11.021 10.493 1.00 0.00 N ATOM 2 CA MET A 1 -32.956 -11.875 9.327 1.00 0.00 C ATOM 3 C MET A 1 -31.649 -12.628 9.563 1.00 0.00 C ATOM 4 O MET A 1 -30.580 -12.170 9.161 1.00 0.00 O ATOM 5 CB MET A 1 -32.836 -10.983 8.089 1.00 0.00 C ATOM 6 CG MET A 1 -31.937 -9.774 8.295 1.00 0.00 C ATOM 7 SD MET A 1 -32.850 -8.312 8.824 1.00 0.00 S ATOM 8 CE MET A 1 -33.862 -8.003 7.379 1.00 0.00 C ATOM 0 H1 MET A 1 -34.189 -11.359 10.919 1.00 0.00 H new ATOM 0 H2 MET A 1 -32.540 -11.069 11.198 1.00 0.00 H new ATOM 0 H3 MET A 1 -33.423 -10.037 10.179 1.00 0.00 H new ATOM 0 HA MET A 1 -33.740 -12.618 9.181 1.00 0.00 H new ATOM 0 HB2 MET A 1 -32.449 -11.576 7.260 1.00 0.00 H new ATOM 0 HB3 MET A 1 -33.830 -10.641 7.800 1.00 0.00 H new ATOM 0 HG2 MET A 1 -31.178 -10.013 9.040 1.00 0.00 H new ATOM 0 HG3 MET A 1 -31.413 -9.553 7.365 1.00 0.00 H new ATOM 0 HE1 MET A 1 -34.105 -6.942 7.325 1.00 0.00 H new ATOM 0 HE2 MET A 1 -33.315 -8.296 6.483 1.00 0.00 H new ATOM 0 HE3 MET A 1 -34.782 -8.583 7.449 1.00 0.00 H new ATOM 20 N PRO A 2 -31.720 -13.797 10.220 1.00 0.00 N ATOM 21 CA PRO A 2 -30.535 -14.614 10.508 1.00 0.00 C ATOM 22 C PRO A 2 -29.952 -15.252 9.252 1.00 0.00 C ATOM 23 O PRO A 2 -28.736 -15.388 9.121 1.00 0.00 O ATOM 24 CB PRO A 2 -31.068 -15.690 11.455 1.00 0.00 C ATOM 25 CG PRO A 2 -32.518 -15.797 11.130 1.00 0.00 C ATOM 26 CD PRO A 2 -32.956 -14.415 10.733 1.00 0.00 C ATOM 0 HA PRO A 2 -29.723 -14.021 10.929 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -30.557 -16.640 11.302 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -30.916 -15.411 12.497 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -32.685 -16.507 10.320 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -33.085 -16.154 11.989 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -33.736 -14.444 9.972 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -33.359 -13.862 11.582 1.00 0.00 H new ATOM 34 N SER A 3 -30.828 -15.642 8.331 1.00 0.00 N ATOM 35 CA SER A 3 -30.397 -16.265 7.085 1.00 0.00 C ATOM 36 C SER A 3 -30.196 -15.220 5.994 1.00 0.00 C ATOM 37 O SER A 3 -30.919 -14.225 5.930 1.00 0.00 O ATOM 38 CB SER A 3 -31.425 -17.303 6.629 1.00 0.00 C ATOM 39 OG SER A 3 -32.652 -16.687 6.279 1.00 0.00 O ATOM 0 H SER A 3 -31.838 -15.538 8.424 1.00 0.00 H new ATOM 0 HA SER A 3 -29.444 -16.761 7.267 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.035 -17.854 5.774 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.593 -18.028 7.426 1.00 0.00 H new ATOM 0 HG SER A 3 -33.291 -17.372 5.990 1.00 0.00 H new ATOM 45 N ASP A 4 -29.208 -15.453 5.134 1.00 0.00 N ATOM 46 CA ASP A 4 -28.910 -14.530 4.045 1.00 0.00 C ATOM 47 C ASP A 4 -29.082 -15.214 2.692 1.00 0.00 C ATOM 48 O ASP A 4 -29.070 -16.442 2.600 1.00 0.00 O ATOM 49 CB ASP A 4 -27.484 -13.992 4.178 1.00 0.00 C ATOM 50 CG ASP A 4 -26.451 -15.099 4.232 1.00 0.00 C ATOM 51 OD1 ASP A 4 -26.498 -15.998 3.366 1.00 0.00 O ATOM 52 OD2 ASP A 4 -25.593 -15.068 5.140 1.00 0.00 O ATOM 0 H ASP A 4 -28.601 -16.272 5.171 1.00 0.00 H new ATOM 0 HA ASP A 4 -29.611 -13.698 4.106 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -27.266 -13.336 3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -27.410 -13.386 5.081 1.00 0.00 H new ATOM 57 N SER A 5 -29.239 -14.412 1.643 1.00 0.00 N ATOM 58 CA SER A 5 -29.413 -14.940 0.296 1.00 0.00 C ATOM 59 C SER A 5 -29.210 -13.846 -0.749 1.00 0.00 C ATOM 60 O SER A 5 -28.544 -14.057 -1.762 1.00 0.00 O ATOM 61 CB SER A 5 -30.805 -15.556 0.142 1.00 0.00 C ATOM 62 OG SER A 5 -30.971 -16.663 1.011 1.00 0.00 O ATOM 0 H SER A 5 -29.249 -13.394 1.701 1.00 0.00 H new ATOM 0 HA SER A 5 -28.661 -15.713 0.137 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.565 -14.804 0.356 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.953 -15.874 -0.890 1.00 0.00 H new ATOM 0 HG SER A 5 -30.095 -16.955 1.340 1.00 0.00 H new ATOM 68 N LYS A 6 -29.789 -12.678 -0.492 1.00 0.00 N ATOM 69 CA LYS A 6 -29.673 -11.550 -1.410 1.00 0.00 C ATOM 70 C LYS A 6 -28.272 -10.950 -1.365 1.00 0.00 C ATOM 71 O LYS A 6 -27.534 -11.145 -0.399 1.00 0.00 O ATOM 72 CB LYS A 6 -30.710 -10.478 -1.069 1.00 0.00 C ATOM 73 CG LYS A 6 -31.294 -9.785 -2.290 1.00 0.00 C ATOM 74 CD LYS A 6 -32.709 -9.298 -2.029 1.00 0.00 C ATOM 75 CE LYS A 6 -33.600 -9.503 -3.243 1.00 0.00 C ATOM 76 NZ LYS A 6 -33.088 -8.780 -4.438 1.00 0.00 N ATOM 0 H LYS A 6 -30.343 -12.487 0.343 1.00 0.00 H new ATOM 0 HA LYS A 6 -29.858 -11.918 -2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -31.519 -10.935 -0.500 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -30.249 -9.731 -0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -30.663 -8.941 -2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -31.295 -10.474 -3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -33.127 -9.831 -1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -32.688 -8.241 -1.766 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -33.670 -10.568 -3.466 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -34.609 -9.158 -3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -33.797 -8.819 -5.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -32.901 -7.788 -4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -32.208 -9.228 -4.764 1.00 0.00 H new ATOM 90 N LYS A 7 -27.912 -10.221 -2.416 1.00 0.00 N ATOM 91 CA LYS A 7 -26.599 -9.591 -2.498 1.00 0.00 C ATOM 92 C LYS A 7 -26.666 -8.302 -3.313 1.00 0.00 C ATOM 93 O LYS A 7 -27.661 -8.036 -3.987 1.00 0.00 O ATOM 94 CB LYS A 7 -25.587 -10.554 -3.127 1.00 0.00 C ATOM 95 CG LYS A 7 -25.883 -10.888 -4.580 1.00 0.00 C ATOM 96 CD LYS A 7 -24.624 -11.304 -5.323 1.00 0.00 C ATOM 97 CE LYS A 7 -23.983 -10.126 -6.043 1.00 0.00 C ATOM 98 NZ LYS A 7 -22.567 -9.926 -5.629 1.00 0.00 N ATOM 0 H LYS A 7 -28.512 -10.052 -3.224 1.00 0.00 H new ATOM 0 HA LYS A 7 -26.276 -9.345 -1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -24.591 -10.116 -3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -25.569 -11.477 -2.548 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -26.617 -11.692 -4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -26.327 -10.022 -5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -23.911 -11.733 -4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -24.868 -12.083 -6.045 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -24.027 -10.291 -7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -24.553 -9.220 -5.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -22.000 -9.646 -6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -22.519 -9.180 -4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -22.192 -10.813 -5.236 1.00 0.00 H new ATOM 112 N PRO A 8 -25.603 -7.481 -3.262 1.00 0.00 N ATOM 113 CA PRO A 8 -25.528 -6.228 -3.985 1.00 0.00 C ATOM 114 C PRO A 8 -24.827 -6.393 -5.329 1.00 0.00 C ATOM 115 O PRO A 8 -25.475 -6.411 -6.374 1.00 0.00 O ATOM 116 CB PRO A 8 -24.699 -5.348 -3.039 1.00 0.00 C ATOM 117 CG PRO A 8 -23.961 -6.294 -2.130 1.00 0.00 C ATOM 118 CD PRO A 8 -24.376 -7.700 -2.500 1.00 0.00 C ATOM 0 HA PRO A 8 -26.507 -5.815 -4.227 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -24.003 -4.722 -3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -25.341 -4.678 -2.467 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -22.884 -6.171 -2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -24.199 -6.086 -1.087 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -23.614 -8.204 -3.095 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -24.551 -8.316 -1.618 1.00 0.00 H new ATOM 126 N THR A 9 -23.497 -6.523 -5.288 1.00 0.00 N ATOM 127 CA THR A 9 -22.690 -6.699 -6.496 1.00 0.00 C ATOM 128 C THR A 9 -21.224 -6.379 -6.219 1.00 0.00 C ATOM 129 O THR A 9 -20.750 -5.286 -6.529 1.00 0.00 O ATOM 130 CB THR A 9 -23.205 -5.810 -7.631 1.00 0.00 C ATOM 131 OG1 THR A 9 -22.253 -5.730 -8.677 1.00 0.00 O ATOM 132 CG2 THR A 9 -23.526 -4.399 -7.190 1.00 0.00 C ATOM 0 H THR A 9 -22.955 -6.509 -4.424 1.00 0.00 H new ATOM 0 HA THR A 9 -22.774 -7.742 -6.800 1.00 0.00 H new ATOM 0 HB THR A 9 -24.126 -6.283 -7.972 1.00 0.00 H new ATOM 0 HG1 THR A 9 -21.470 -5.228 -8.369 1.00 0.00 H new ATOM 0 HG21 THR A 9 -23.885 -3.824 -8.043 1.00 0.00 H new ATOM 0 HG22 THR A 9 -24.297 -4.425 -6.419 1.00 0.00 H new ATOM 0 HG23 THR A 9 -22.628 -3.930 -6.789 1.00 0.00 H new ATOM 140 N ILE A 10 -20.512 -7.337 -5.636 1.00 0.00 N ATOM 141 CA ILE A 10 -19.100 -7.153 -5.322 1.00 0.00 C ATOM 142 C ILE A 10 -18.307 -8.425 -5.587 1.00 0.00 C ATOM 143 O ILE A 10 -18.158 -9.274 -4.708 1.00 0.00 O ATOM 144 CB ILE A 10 -18.903 -6.729 -3.852 1.00 0.00 C ATOM 145 CG1 ILE A 10 -19.628 -5.407 -3.587 1.00 0.00 C ATOM 146 CG2 ILE A 10 -17.419 -6.612 -3.520 1.00 0.00 C ATOM 147 CD1 ILE A 10 -18.963 -4.207 -4.231 1.00 0.00 C ATOM 0 H ILE A 10 -20.889 -8.247 -5.372 1.00 0.00 H new ATOM 0 HA ILE A 10 -18.731 -6.360 -5.972 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.331 -7.495 -3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -20.651 -5.484 -3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -19.687 -5.245 -2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -17.302 -6.312 -2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -16.934 -7.575 -3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.959 -5.865 -4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -19.533 -3.307 -3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -17.949 -4.103 -3.846 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -18.928 -4.347 -5.311 1.00 0.00 H new ATOM 159 N ILE A 11 -17.797 -8.547 -6.806 1.00 0.00 N ATOM 160 CA ILE A 11 -17.014 -9.711 -7.193 1.00 0.00 C ATOM 161 C ILE A 11 -15.893 -9.320 -8.149 1.00 0.00 C ATOM 162 O ILE A 11 -16.115 -9.153 -9.349 1.00 0.00 O ATOM 163 CB ILE A 11 -17.896 -10.780 -7.866 1.00 0.00 C ATOM 164 CG1 ILE A 11 -19.179 -10.995 -7.058 1.00 0.00 C ATOM 165 CG2 ILE A 11 -17.126 -12.085 -8.022 1.00 0.00 C ATOM 166 CD1 ILE A 11 -18.958 -11.694 -5.734 1.00 0.00 C ATOM 0 H ILE A 11 -17.912 -7.852 -7.544 1.00 0.00 H new ATOM 0 HA ILE A 11 -16.585 -10.125 -6.281 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.173 -10.430 -8.860 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -19.647 -10.028 -6.874 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -19.879 -11.580 -7.655 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.764 -12.829 -8.499 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -16.243 -11.915 -8.638 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -16.819 -12.446 -7.040 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -19.912 -11.810 -5.220 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -18.519 -12.676 -5.910 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -18.284 -11.100 -5.117 1.00 0.00 H new ATOM 178 N TYR A 12 -14.687 -9.180 -7.611 1.00 0.00 N ATOM 179 CA TYR A 12 -13.528 -8.812 -8.418 1.00 0.00 C ATOM 180 C TYR A 12 -12.248 -9.401 -7.832 1.00 0.00 C ATOM 181 O TYR A 12 -11.581 -8.770 -7.014 1.00 0.00 O ATOM 182 CB TYR A 12 -13.401 -7.288 -8.518 1.00 0.00 C ATOM 183 CG TYR A 12 -13.946 -6.543 -7.318 1.00 0.00 C ATOM 184 CD1 TYR A 12 -13.244 -6.507 -6.118 1.00 0.00 C ATOM 185 CD2 TYR A 12 -15.161 -5.875 -7.386 1.00 0.00 C ATOM 186 CE1 TYR A 12 -13.741 -5.827 -5.021 1.00 0.00 C ATOM 187 CE2 TYR A 12 -15.664 -5.192 -6.294 1.00 0.00 C ATOM 188 CZ TYR A 12 -14.950 -5.171 -5.115 1.00 0.00 C ATOM 189 OH TYR A 12 -15.446 -4.493 -4.026 1.00 0.00 O ATOM 0 H TYR A 12 -14.486 -9.315 -6.620 1.00 0.00 H new ATOM 0 HA TYR A 12 -13.674 -9.221 -9.418 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -12.350 -7.029 -8.646 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -13.924 -6.948 -9.412 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -12.296 -7.018 -6.042 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.723 -5.889 -8.308 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -13.185 -5.810 -4.095 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -16.611 -4.678 -6.364 1.00 0.00 H new ATOM 0 HH TYR A 12 -15.706 -3.587 -4.295 1.00 0.00 H new ATOM 199 N PRO A 13 -11.884 -10.625 -8.244 1.00 0.00 N ATOM 200 CA PRO A 13 -10.687 -11.295 -7.759 1.00 0.00 C ATOM 201 C PRO A 13 -9.463 -10.998 -8.620 1.00 0.00 C ATOM 202 O PRO A 13 -8.922 -11.888 -9.274 1.00 0.00 O ATOM 203 CB PRO A 13 -11.082 -12.761 -7.867 1.00 0.00 C ATOM 204 CG PRO A 13 -11.952 -12.821 -9.080 1.00 0.00 C ATOM 205 CD PRO A 13 -12.615 -11.466 -9.209 1.00 0.00 C ATOM 0 HA PRO A 13 -10.398 -10.977 -6.758 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.207 -13.402 -7.973 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.616 -13.096 -6.978 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.362 -13.049 -9.968 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.699 -13.609 -8.982 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.533 -11.075 -10.223 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.678 -11.516 -8.972 1.00 0.00 H new ATOM 213 N CYS A 14 -9.036 -9.739 -8.619 1.00 0.00 N ATOM 214 CA CYS A 14 -7.878 -9.327 -9.405 1.00 0.00 C ATOM 215 C CYS A 14 -7.066 -8.267 -8.669 1.00 0.00 C ATOM 216 O CYS A 14 -7.398 -7.882 -7.548 1.00 0.00 O ATOM 217 CB CYS A 14 -8.326 -8.790 -10.765 1.00 0.00 C ATOM 218 SG CYS A 14 -8.797 -10.074 -11.946 1.00 0.00 S ATOM 0 H CYS A 14 -9.473 -8.988 -8.084 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.244 -10.201 -9.556 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.172 -8.119 -10.618 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.518 -8.196 -11.193 1.00 0.00 H new ATOM 0 HG CYS A 14 -8.998 -11.192 -11.314 1.00 0.00 H new ATOM 224 N LEU A 15 -5.998 -7.800 -9.310 1.00 0.00 N ATOM 225 CA LEU A 15 -5.136 -6.783 -8.720 1.00 0.00 C ATOM 226 C LEU A 15 -5.663 -5.383 -9.013 1.00 0.00 C ATOM 227 O LEU A 15 -5.678 -4.942 -10.162 1.00 0.00 O ATOM 228 CB LEU A 15 -3.707 -6.929 -9.252 1.00 0.00 C ATOM 229 CG LEU A 15 -2.625 -7.053 -8.177 1.00 0.00 C ATOM 230 CD1 LEU A 15 -1.501 -7.961 -8.652 1.00 0.00 C ATOM 231 CD2 LEU A 15 -2.082 -5.680 -7.808 1.00 0.00 C ATOM 0 H LEU A 15 -5.710 -8.110 -10.238 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.131 -6.927 -7.640 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.663 -7.809 -9.894 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.479 -6.066 -9.878 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.072 -7.498 -7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.741 -8.037 -7.874 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.900 -8.952 -8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.055 -7.546 -9.556 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.314 -5.786 -7.042 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.651 -5.210 -8.692 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.892 -5.059 -7.425 1.00 0.00 H new ATOM 243 N TRP A 16 -6.094 -4.687 -7.966 1.00 0.00 N ATOM 244 CA TRP A 16 -6.623 -3.337 -8.112 1.00 0.00 C ATOM 245 C TRP A 16 -5.599 -2.300 -7.657 1.00 0.00 C ATOM 246 O TRP A 16 -4.708 -2.601 -6.861 1.00 0.00 O ATOM 247 CB TRP A 16 -7.914 -3.182 -7.306 1.00 0.00 C ATOM 248 CG TRP A 16 -8.705 -1.964 -7.676 1.00 0.00 C ATOM 249 CD1 TRP A 16 -8.673 -0.748 -7.057 1.00 0.00 C ATOM 250 CD2 TRP A 16 -9.644 -1.845 -8.750 1.00 0.00 C ATOM 251 NE1 TRP A 16 -9.536 0.121 -7.680 1.00 0.00 N ATOM 252 CE2 TRP A 16 -10.145 -0.529 -8.722 1.00 0.00 C ATOM 253 CE3 TRP A 16 -10.111 -2.724 -9.731 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -11.087 -0.072 -9.638 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -11.049 -2.268 -10.640 1.00 0.00 C ATOM 256 CH2 TRP A 16 -11.527 -0.953 -10.589 1.00 0.00 C ATOM 0 H TRP A 16 -6.087 -5.036 -7.008 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.840 -3.171 -9.167 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.534 -4.067 -7.453 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.668 -3.138 -6.245 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.059 -0.504 -6.202 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.697 1.092 -7.411 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -9.747 -3.740 -9.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -11.458 0.942 -9.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -11.419 -2.938 -11.402 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -12.258 -0.627 -11.315 1.00 0.00 H new ATOM 267 N ASP A 17 -5.732 -1.080 -8.166 1.00 0.00 N ATOM 268 CA ASP A 17 -4.819 0.001 -7.811 1.00 0.00 C ATOM 269 C ASP A 17 -5.535 1.068 -6.992 1.00 0.00 C ATOM 270 O ASP A 17 -6.752 1.224 -7.089 1.00 0.00 O ATOM 271 CB ASP A 17 -4.218 0.625 -9.072 1.00 0.00 C ATOM 272 CG ASP A 17 -5.269 0.946 -10.116 1.00 0.00 C ATOM 273 OD1 ASP A 17 -5.765 0.004 -10.769 1.00 0.00 O ATOM 274 OD2 ASP A 17 -5.597 2.140 -10.279 1.00 0.00 O ATOM 0 H ASP A 17 -6.463 -0.815 -8.826 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.016 -0.418 -7.205 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.686 1.538 -8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.484 -0.059 -9.498 1.00 0.00 H new ATOM 279 N TYR A 18 -4.776 1.799 -6.181 1.00 0.00 N ATOM 280 CA TYR A 18 -5.349 2.847 -5.345 1.00 0.00 C ATOM 281 C TYR A 18 -4.481 4.099 -5.361 1.00 0.00 C ATOM 282 O TYR A 18 -3.307 4.058 -4.993 1.00 0.00 O ATOM 283 CB TYR A 18 -5.516 2.349 -3.910 1.00 0.00 C ATOM 284 CG TYR A 18 -6.747 1.496 -3.707 1.00 0.00 C ATOM 285 CD1 TYR A 18 -7.994 2.077 -3.520 1.00 0.00 C ATOM 286 CD2 TYR A 18 -6.660 0.110 -3.706 1.00 0.00 C ATOM 287 CE1 TYR A 18 -9.121 1.302 -3.336 1.00 0.00 C ATOM 288 CE2 TYR A 18 -7.785 -0.673 -3.523 1.00 0.00 C ATOM 289 CZ TYR A 18 -9.011 -0.073 -3.338 1.00 0.00 C ATOM 290 OH TYR A 18 -10.133 -0.848 -3.156 1.00 0.00 O ATOM 0 H TYR A 18 -3.767 1.685 -6.086 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.327 3.103 -5.752 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.634 1.773 -3.629 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.564 3.207 -3.239 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.084 3.153 -3.519 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.700 -0.363 -3.850 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -10.084 1.769 -3.191 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.703 -1.750 -3.525 1.00 0.00 H new ATOM 0 HH TYR A 18 -10.917 -0.376 -3.506 1.00 0.00 H new ATOM 300 N ARG A 19 -5.071 5.215 -5.778 1.00 0.00 N ATOM 301 CA ARG A 19 -4.354 6.481 -5.829 1.00 0.00 C ATOM 302 C ARG A 19 -4.466 7.207 -4.493 1.00 0.00 C ATOM 303 O ARG A 19 -5.480 7.842 -4.203 1.00 0.00 O ATOM 304 CB ARG A 19 -4.911 7.359 -6.953 1.00 0.00 C ATOM 305 CG ARG A 19 -4.189 8.688 -7.103 1.00 0.00 C ATOM 306 CD ARG A 19 -2.973 8.565 -8.005 1.00 0.00 C ATOM 307 NE ARG A 19 -3.314 8.010 -9.313 1.00 0.00 N ATOM 308 CZ ARG A 19 -3.984 8.678 -10.249 1.00 0.00 C ATOM 309 NH1 ARG A 19 -4.387 9.923 -10.026 1.00 0.00 N ATOM 310 NH2 ARG A 19 -4.253 8.099 -11.412 1.00 0.00 N ATOM 0 H ARG A 19 -6.042 5.267 -6.085 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.302 6.277 -6.030 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.848 6.813 -7.894 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.968 7.549 -6.765 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.874 9.430 -7.513 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.880 9.048 -6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.518 9.547 -8.136 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.229 7.930 -7.525 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.022 7.055 -9.521 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.184 10.373 -9.133 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.900 10.430 -10.747 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.946 7.142 -11.588 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.766 8.611 -12.130 1.00 0.00 H new ATOM 324 N VAL A 20 -3.422 7.097 -3.677 1.00 0.00 N ATOM 325 CA VAL A 20 -3.411 7.735 -2.364 1.00 0.00 C ATOM 326 C VAL A 20 -2.342 8.819 -2.274 1.00 0.00 C ATOM 327 O VAL A 20 -1.177 8.586 -2.596 1.00 0.00 O ATOM 328 CB VAL A 20 -3.165 6.704 -1.246 1.00 0.00 C ATOM 329 CG1 VAL A 20 -3.384 7.335 0.120 1.00 0.00 C ATOM 330 CG2 VAL A 20 -4.063 5.491 -1.431 1.00 0.00 C ATOM 0 H VAL A 20 -2.575 6.574 -3.900 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.393 8.190 -2.232 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.128 6.372 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.206 6.592 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.694 8.169 0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.409 7.697 0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.875 4.774 -0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.107 5.803 -1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.852 5.025 -2.394 1.00 0.00 H new ATOM 340 N ILE A 21 -2.746 10.003 -1.821 1.00 0.00 N ATOM 341 CA ILE A 21 -1.824 11.125 -1.673 1.00 0.00 C ATOM 342 C ILE A 21 -1.732 11.557 -0.215 1.00 0.00 C ATOM 343 O ILE A 21 -2.730 11.549 0.505 1.00 0.00 O ATOM 344 CB ILE A 21 -2.253 12.340 -2.524 1.00 0.00 C ATOM 345 CG1 ILE A 21 -2.856 11.901 -3.864 1.00 0.00 C ATOM 346 CG2 ILE A 21 -1.072 13.270 -2.748 1.00 0.00 C ATOM 347 CD1 ILE A 21 -2.049 10.845 -4.594 1.00 0.00 C ATOM 0 H ILE A 21 -3.707 10.210 -1.550 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.851 10.779 -2.022 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.026 12.878 -1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.861 11.517 -3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.956 12.775 -4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.389 14.122 -3.349 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.699 13.623 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.280 12.733 -3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.545 10.591 -5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.051 11.230 -4.804 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.970 9.953 -3.972 1.00 0.00 H new ATOM 359 N MET A 22 -0.530 11.926 0.221 1.00 0.00 N ATOM 360 CA MET A 22 -0.322 12.353 1.594 1.00 0.00 C ATOM 361 C MET A 22 0.179 13.789 1.650 1.00 0.00 C ATOM 362 O MET A 22 0.989 14.209 0.824 1.00 0.00 O ATOM 363 CB MET A 22 0.676 11.429 2.297 1.00 0.00 C ATOM 364 CG MET A 22 0.758 10.034 1.694 1.00 0.00 C ATOM 365 SD MET A 22 2.030 9.016 2.468 1.00 0.00 S ATOM 366 CE MET A 22 2.170 7.687 1.275 1.00 0.00 C ATOM 0 H MET A 22 0.310 11.937 -0.358 1.00 0.00 H new ATOM 0 HA MET A 22 -1.282 12.300 2.108 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.665 11.887 2.264 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.399 11.344 3.348 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.209 9.541 1.796 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.963 10.115 0.627 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.154 7.225 1.359 1.00 0.00 H new ATOM 0 HE2 MET A 22 1.401 6.940 1.470 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.041 8.086 0.269 1.00 0.00 H new ATOM 376 N THR A 23 -0.307 14.536 2.633 1.00 0.00 N ATOM 377 CA THR A 23 0.094 15.926 2.803 1.00 0.00 C ATOM 378 C THR A 23 0.727 16.139 4.173 1.00 0.00 C ATOM 379 O THR A 23 0.154 16.794 5.044 1.00 0.00 O ATOM 380 CB THR A 23 -1.114 16.853 2.624 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.910 16.872 3.795 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.009 16.453 1.470 1.00 0.00 C ATOM 0 H THR A 23 -0.979 14.203 3.324 1.00 0.00 H new ATOM 0 HA THR A 23 0.836 16.166 2.041 1.00 0.00 H new ATOM 0 HB THR A 23 -0.694 17.837 2.415 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.405 17.283 4.527 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.844 17.150 1.399 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.438 16.475 0.542 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.390 15.446 1.637 1.00 0.00 H new ATOM 390 N THR A 24 1.918 15.579 4.357 1.00 0.00 N ATOM 391 CA THR A 24 2.633 15.705 5.623 1.00 0.00 C ATOM 392 C THR A 24 4.133 15.846 5.392 1.00 0.00 C ATOM 393 O THR A 24 4.668 15.358 4.396 1.00 0.00 O ATOM 394 CB THR A 24 2.353 14.492 6.511 1.00 0.00 C ATOM 395 OG1 THR A 24 0.976 14.161 6.489 1.00 0.00 O ATOM 396 CG2 THR A 24 2.749 14.706 7.957 1.00 0.00 C ATOM 0 H THR A 24 2.408 15.034 3.647 1.00 0.00 H new ATOM 0 HA THR A 24 2.277 16.605 6.124 1.00 0.00 H new ATOM 0 HB THR A 24 2.960 13.686 6.099 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.575 14.370 7.359 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.524 13.808 8.533 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.817 14.916 8.015 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.191 15.548 8.366 1.00 0.00 H new ATOM 404 N LYS A 25 4.807 16.517 6.321 1.00 0.00 N ATOM 405 CA LYS A 25 6.247 16.724 6.222 1.00 0.00 C ATOM 406 C LYS A 25 7.002 15.715 7.083 1.00 0.00 C ATOM 407 O LYS A 25 8.105 15.988 7.556 1.00 0.00 O ATOM 408 CB LYS A 25 6.610 18.147 6.652 1.00 0.00 C ATOM 409 CG LYS A 25 5.689 19.211 6.075 1.00 0.00 C ATOM 410 CD LYS A 25 5.739 20.493 6.891 1.00 0.00 C ATOM 411 CE LYS A 25 7.122 21.122 6.858 1.00 0.00 C ATOM 412 NZ LYS A 25 7.217 22.303 7.759 1.00 0.00 N ATOM 0 H LYS A 25 4.378 16.927 7.151 1.00 0.00 H new ATOM 0 HA LYS A 25 6.538 16.579 5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.584 18.207 7.740 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.634 18.360 6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.976 19.423 5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.667 18.834 6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.007 21.201 6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.460 20.280 7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.865 20.381 7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.359 21.424 5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.176 22.703 7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.526 23.022 7.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.016 22.011 8.737 1.00 0.00 H new ATOM 426 N ASP A 26 6.400 14.547 7.281 1.00 0.00 N ATOM 427 CA ASP A 26 7.013 13.495 8.083 1.00 0.00 C ATOM 428 C ASP A 26 6.576 12.118 7.593 1.00 0.00 C ATOM 429 O ASP A 26 6.179 11.261 8.384 1.00 0.00 O ATOM 430 CB ASP A 26 6.644 13.669 9.558 1.00 0.00 C ATOM 431 CG ASP A 26 7.332 12.652 10.448 1.00 0.00 C ATOM 432 OD1 ASP A 26 8.578 12.681 10.530 1.00 0.00 O ATOM 433 OD2 ASP A 26 6.624 11.829 11.065 1.00 0.00 O ATOM 0 H ASP A 26 5.487 14.305 6.896 1.00 0.00 H new ATOM 0 HA ASP A 26 8.095 13.572 7.977 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.915 14.674 9.882 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.564 13.577 9.673 1.00 0.00 H new ATOM 438 N THR A 27 6.652 11.913 6.283 1.00 0.00 N ATOM 439 CA THR A 27 6.263 10.640 5.683 1.00 0.00 C ATOM 440 C THR A 27 7.332 9.569 5.903 1.00 0.00 C ATOM 441 O THR A 27 7.136 8.408 5.544 1.00 0.00 O ATOM 442 CB THR A 27 6.005 10.820 4.186 1.00 0.00 C ATOM 443 OG1 THR A 27 7.225 10.962 3.479 1.00 0.00 O ATOM 444 CG2 THR A 27 5.147 12.025 3.867 1.00 0.00 C ATOM 0 H THR A 27 6.979 12.611 5.615 1.00 0.00 H new ATOM 0 HA THR A 27 5.347 10.307 6.170 1.00 0.00 H new ATOM 0 HB THR A 27 5.471 9.922 3.876 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.038 11.074 2.524 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.003 12.094 2.789 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.179 11.922 4.357 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.641 12.928 4.226 1.00 0.00 H new ATOM 452 N SER A 28 8.462 9.961 6.490 1.00 0.00 N ATOM 453 CA SER A 28 9.552 9.025 6.751 1.00 0.00 C ATOM 454 C SER A 28 9.044 7.772 7.461 1.00 0.00 C ATOM 455 O SER A 28 9.619 6.692 7.324 1.00 0.00 O ATOM 456 CB SER A 28 10.637 9.697 7.595 1.00 0.00 C ATOM 457 OG SER A 28 11.932 9.363 7.122 1.00 0.00 O ATOM 0 H SER A 28 8.645 10.918 6.793 1.00 0.00 H new ATOM 0 HA SER A 28 9.976 8.728 5.792 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.505 10.779 7.569 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.536 9.389 8.636 1.00 0.00 H new ATOM 0 HG SER A 28 12.607 9.806 7.677 1.00 0.00 H new ATOM 463 N THR A 29 7.960 7.923 8.215 1.00 0.00 N ATOM 464 CA THR A 29 7.373 6.803 8.937 1.00 0.00 C ATOM 465 C THR A 29 6.569 5.915 7.994 1.00 0.00 C ATOM 466 O THR A 29 6.440 4.710 8.213 1.00 0.00 O ATOM 467 CB THR A 29 6.476 7.311 10.068 1.00 0.00 C ATOM 468 OG1 THR A 29 5.855 6.230 10.740 1.00 0.00 O ATOM 469 CG2 THR A 29 5.383 8.242 9.590 1.00 0.00 C ATOM 0 H THR A 29 7.472 8.810 8.341 1.00 0.00 H new ATOM 0 HA THR A 29 8.183 6.212 9.365 1.00 0.00 H new ATOM 0 HB THR A 29 7.137 7.863 10.736 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.287 6.575 11.460 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.783 8.566 10.441 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.830 9.112 9.109 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.747 7.720 8.875 1.00 0.00 H new ATOM 477 N LEU A 30 6.029 6.521 6.939 1.00 0.00 N ATOM 478 CA LEU A 30 5.239 5.788 5.958 1.00 0.00 C ATOM 479 C LEU A 30 6.140 5.078 4.953 1.00 0.00 C ATOM 480 O LEU A 30 5.910 3.917 4.612 1.00 0.00 O ATOM 481 CB LEU A 30 4.287 6.741 5.228 1.00 0.00 C ATOM 482 CG LEU A 30 2.818 6.642 5.656 1.00 0.00 C ATOM 483 CD1 LEU A 30 2.261 8.020 5.978 1.00 0.00 C ATOM 484 CD2 LEU A 30 1.991 5.971 4.571 1.00 0.00 C ATOM 0 H LEU A 30 6.125 7.517 6.743 1.00 0.00 H new ATOM 0 HA LEU A 30 4.655 5.035 6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.628 7.764 5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.352 6.546 4.158 1.00 0.00 H new ATOM 0 HG LEU A 30 2.763 6.031 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.218 7.929 6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.836 8.464 6.790 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.329 8.656 5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.951 5.909 4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.053 6.555 3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.375 4.967 4.389 1.00 0.00 H new ATOM 496 N LYS A 31 7.165 5.781 4.480 1.00 0.00 N ATOM 497 CA LYS A 31 8.099 5.211 3.511 1.00 0.00 C ATOM 498 C LYS A 31 8.660 3.883 4.011 1.00 0.00 C ATOM 499 O LYS A 31 8.953 2.986 3.221 1.00 0.00 O ATOM 500 CB LYS A 31 9.237 6.194 3.224 1.00 0.00 C ATOM 501 CG LYS A 31 10.239 6.322 4.361 1.00 0.00 C ATOM 502 CD LYS A 31 11.511 5.539 4.077 1.00 0.00 C ATOM 503 CE LYS A 31 12.552 5.755 5.163 1.00 0.00 C ATOM 504 NZ LYS A 31 13.246 4.487 5.526 1.00 0.00 N ATOM 0 H LYS A 31 7.371 6.743 4.750 1.00 0.00 H new ATOM 0 HA LYS A 31 7.555 5.025 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.762 5.875 2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.812 7.176 3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.484 7.373 4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.788 5.962 5.286 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.277 4.477 4.002 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.920 5.844 3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.285 6.486 4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.072 6.173 6.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.782 4.624 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.543 3.733 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.899 4.218 4.762 1.00 0.00 H new ATOM 518 N GLU A 32 8.807 3.766 5.326 1.00 0.00 N ATOM 519 CA GLU A 32 9.332 2.548 5.931 1.00 0.00 C ATOM 520 C GLU A 32 8.212 1.542 6.186 1.00 0.00 C ATOM 521 O GLU A 32 8.437 0.333 6.174 1.00 0.00 O ATOM 522 CB GLU A 32 10.052 2.872 7.240 1.00 0.00 C ATOM 523 CG GLU A 32 9.152 3.509 8.288 1.00 0.00 C ATOM 524 CD GLU A 32 9.632 3.251 9.703 1.00 0.00 C ATOM 525 OE1 GLU A 32 10.825 2.929 9.876 1.00 0.00 O ATOM 526 OE2 GLU A 32 8.811 3.372 10.638 1.00 0.00 O ATOM 0 H GLU A 32 8.570 4.500 5.993 1.00 0.00 H new ATOM 0 HA GLU A 32 10.044 2.104 5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.478 1.955 7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.884 3.544 7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.104 4.584 8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.139 3.122 8.176 1.00 0.00 H new ATOM 533 N LEU A 33 7.007 2.052 6.417 1.00 0.00 N ATOM 534 CA LEU A 33 5.853 1.200 6.675 1.00 0.00 C ATOM 535 C LEU A 33 5.317 0.599 5.379 1.00 0.00 C ATOM 536 O LEU A 33 4.822 -0.528 5.362 1.00 0.00 O ATOM 537 CB LEU A 33 4.752 1.998 7.380 1.00 0.00 C ATOM 538 CG LEU A 33 4.585 1.696 8.870 1.00 0.00 C ATOM 539 CD1 LEU A 33 4.030 0.295 9.071 1.00 0.00 C ATOM 540 CD2 LEU A 33 5.913 1.857 9.597 1.00 0.00 C ATOM 0 H LEU A 33 6.805 3.052 6.431 1.00 0.00 H new ATOM 0 HA LEU A 33 6.172 0.384 7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.963 3.061 7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.805 1.803 6.877 1.00 0.00 H new ATOM 0 HG LEU A 33 3.875 2.408 9.290 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.918 0.098 10.137 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.059 0.215 8.583 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.715 -0.433 8.637 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.777 1.639 10.656 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.645 1.168 9.175 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.270 2.880 9.481 1.00 0.00 H new ATOM 552 N LEU A 34 5.419 1.359 4.293 1.00 0.00 N ATOM 553 CA LEU A 34 4.946 0.901 2.992 1.00 0.00 C ATOM 554 C LEU A 34 6.001 0.045 2.299 1.00 0.00 C ATOM 555 O LEU A 34 5.675 -0.893 1.572 1.00 0.00 O ATOM 556 CB LEU A 34 4.580 2.095 2.108 1.00 0.00 C ATOM 557 CG LEU A 34 3.579 3.075 2.724 1.00 0.00 C ATOM 558 CD1 LEU A 34 3.401 4.291 1.827 1.00 0.00 C ATOM 559 CD2 LEU A 34 2.245 2.389 2.967 1.00 0.00 C ATOM 0 H LEU A 34 5.825 2.295 4.289 1.00 0.00 H new ATOM 0 HA LEU A 34 4.057 0.291 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.492 2.638 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.169 1.721 1.170 1.00 0.00 H new ATOM 0 HG LEU A 34 3.972 3.412 3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.686 4.977 2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.359 4.796 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.030 3.973 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.545 3.100 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.846 2.023 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.386 1.551 3.649 1.00 0.00 H new ATOM 571 N GLU A 35 7.267 0.376 2.530 1.00 0.00 N ATOM 572 CA GLU A 35 8.374 -0.360 1.928 1.00 0.00 C ATOM 573 C GLU A 35 8.620 -1.686 2.648 1.00 0.00 C ATOM 574 O GLU A 35 9.457 -2.483 2.223 1.00 0.00 O ATOM 575 CB GLU A 35 9.647 0.489 1.951 1.00 0.00 C ATOM 576 CG GLU A 35 9.639 1.624 0.942 1.00 0.00 C ATOM 577 CD GLU A 35 10.759 2.619 1.174 1.00 0.00 C ATOM 578 OE1 GLU A 35 11.817 2.210 1.698 1.00 0.00 O ATOM 579 OE2 GLU A 35 10.578 3.808 0.835 1.00 0.00 O ATOM 0 H GLU A 35 7.553 1.150 3.130 1.00 0.00 H new ATOM 0 HA GLU A 35 8.105 -0.580 0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.779 0.903 2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.506 -0.153 1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.727 1.212 -0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.681 2.142 0.992 1.00 0.00 H new ATOM 586 N THR A 36 7.892 -1.922 3.739 1.00 0.00 N ATOM 587 CA THR A 36 8.042 -3.154 4.506 1.00 0.00 C ATOM 588 C THR A 36 7.795 -4.377 3.628 1.00 0.00 C ATOM 589 O THR A 36 8.465 -5.400 3.767 1.00 0.00 O ATOM 590 CB THR A 36 7.080 -3.161 5.695 1.00 0.00 C ATOM 591 OG1 THR A 36 7.290 -4.304 6.504 1.00 0.00 O ATOM 592 CG2 THR A 36 5.623 -3.149 5.285 1.00 0.00 C ATOM 0 H THR A 36 7.194 -1.277 4.109 1.00 0.00 H new ATOM 0 HA THR A 36 9.066 -3.198 4.877 1.00 0.00 H new ATOM 0 HB THR A 36 7.294 -2.245 6.245 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.666 -4.289 7.260 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.994 -3.155 6.175 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.417 -2.252 4.701 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.407 -4.032 4.683 1.00 0.00 H new ATOM 600 N TYR A 37 6.828 -4.262 2.723 1.00 0.00 N ATOM 601 CA TYR A 37 6.490 -5.355 1.820 1.00 0.00 C ATOM 602 C TYR A 37 6.076 -6.601 2.599 1.00 0.00 C ATOM 603 O TYR A 37 6.532 -7.708 2.311 1.00 0.00 O ATOM 604 CB TYR A 37 7.678 -5.674 0.906 1.00 0.00 C ATOM 605 CG TYR A 37 7.625 -4.958 -0.425 1.00 0.00 C ATOM 606 CD1 TYR A 37 8.189 -3.698 -0.580 1.00 0.00 C ATOM 607 CD2 TYR A 37 7.013 -5.544 -1.526 1.00 0.00 C ATOM 608 CE1 TYR A 37 8.142 -3.041 -1.794 1.00 0.00 C ATOM 609 CE2 TYR A 37 6.963 -4.892 -2.744 1.00 0.00 C ATOM 610 CZ TYR A 37 7.529 -3.641 -2.872 1.00 0.00 C ATOM 611 OH TYR A 37 7.481 -2.990 -4.083 1.00 0.00 O ATOM 0 H TYR A 37 6.264 -3.421 2.596 1.00 0.00 H new ATOM 0 HA TYR A 37 5.645 -5.040 1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.602 -5.405 1.418 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.712 -6.749 0.730 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.672 -3.225 0.262 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.570 -6.524 -1.429 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.584 -2.061 -1.898 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.483 -5.360 -3.591 1.00 0.00 H new ATOM 0 HH TYR A 37 7.478 -3.649 -4.809 1.00 0.00 H new ATOM 621 N GLN A 38 5.204 -6.414 3.586 1.00 0.00 N ATOM 622 CA GLN A 38 4.726 -7.524 4.402 1.00 0.00 C ATOM 623 C GLN A 38 4.070 -8.589 3.530 1.00 0.00 C ATOM 624 O GLN A 38 4.328 -9.782 3.685 1.00 0.00 O ATOM 625 CB GLN A 38 3.730 -7.022 5.450 1.00 0.00 C ATOM 626 CG GLN A 38 4.391 -6.487 6.710 1.00 0.00 C ATOM 627 CD GLN A 38 5.059 -7.576 7.525 1.00 0.00 C ATOM 628 OE1 GLN A 38 5.317 -8.670 7.026 1.00 0.00 O ATOM 629 NE2 GLN A 38 5.342 -7.280 8.789 1.00 0.00 N ATOM 0 H GLN A 38 4.815 -5.506 3.839 1.00 0.00 H new ATOM 0 HA GLN A 38 5.582 -7.968 4.910 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.117 -6.236 5.009 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.058 -7.837 5.720 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.133 -5.737 6.436 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.642 -5.986 7.324 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.110 -6.359 9.161 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.791 -7.974 9.387 1.00 0.00 H new ATOM 638 N ARG A 39 3.222 -8.145 2.608 1.00 0.00 N ATOM 639 CA ARG A 39 2.529 -9.051 1.700 1.00 0.00 C ATOM 640 C ARG A 39 2.858 -8.708 0.248 1.00 0.00 C ATOM 641 O ARG A 39 3.423 -7.650 -0.030 1.00 0.00 O ATOM 642 CB ARG A 39 1.011 -8.994 1.924 1.00 0.00 C ATOM 643 CG ARG A 39 0.532 -7.747 2.653 1.00 0.00 C ATOM 644 CD ARG A 39 -0.930 -7.454 2.354 1.00 0.00 C ATOM 645 NE ARG A 39 -1.348 -6.156 2.874 1.00 0.00 N ATOM 646 CZ ARG A 39 -2.434 -5.508 2.463 1.00 0.00 C ATOM 647 NH1 ARG A 39 -3.216 -6.034 1.526 1.00 0.00 N ATOM 648 NH2 ARG A 39 -2.744 -4.331 2.988 1.00 0.00 N ATOM 0 H ARG A 39 2.998 -7.160 2.470 1.00 0.00 H new ATOM 0 HA ARG A 39 2.871 -10.065 1.909 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.511 -9.050 0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.706 -9.873 2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.666 -7.878 3.727 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.143 -6.894 2.357 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.092 -7.481 1.276 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.552 -8.236 2.789 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.773 -5.720 3.595 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.985 -6.940 1.118 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.048 -5.532 1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.149 -3.921 3.708 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.577 -3.835 2.672 1.00 0.00 H new ATOM 662 N PRO A 40 2.516 -9.600 -0.699 1.00 0.00 N ATOM 663 CA PRO A 40 2.787 -9.379 -2.125 1.00 0.00 C ATOM 664 C PRO A 40 2.070 -8.149 -2.673 1.00 0.00 C ATOM 665 O PRO A 40 1.078 -8.264 -3.394 1.00 0.00 O ATOM 666 CB PRO A 40 2.260 -10.651 -2.799 1.00 0.00 C ATOM 667 CG PRO A 40 1.315 -11.252 -1.815 1.00 0.00 C ATOM 668 CD PRO A 40 1.848 -10.890 -0.459 1.00 0.00 C ATOM 0 HA PRO A 40 3.846 -9.194 -2.308 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.757 -10.420 -3.738 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.073 -11.338 -3.034 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.306 -10.863 -1.955 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.260 -12.334 -1.937 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.050 -10.800 0.278 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.544 -11.641 -0.085 1.00 0.00 H new ATOM 676 N PHE A 41 2.582 -6.970 -2.331 1.00 0.00 N ATOM 677 CA PHE A 41 1.997 -5.716 -2.792 1.00 0.00 C ATOM 678 C PHE A 41 3.090 -4.716 -3.156 1.00 0.00 C ATOM 679 O PHE A 41 4.224 -4.828 -2.692 1.00 0.00 O ATOM 680 CB PHE A 41 1.074 -5.129 -1.718 1.00 0.00 C ATOM 681 CG PHE A 41 1.805 -4.483 -0.572 1.00 0.00 C ATOM 682 CD1 PHE A 41 2.181 -3.151 -0.638 1.00 0.00 C ATOM 683 CD2 PHE A 41 2.110 -5.207 0.568 1.00 0.00 C ATOM 684 CE1 PHE A 41 2.851 -2.554 0.413 1.00 0.00 C ATOM 685 CE2 PHE A 41 2.781 -4.615 1.622 1.00 0.00 C ATOM 686 CZ PHE A 41 3.151 -3.286 1.544 1.00 0.00 C ATOM 0 H PHE A 41 3.402 -6.857 -1.735 1.00 0.00 H new ATOM 0 HA PHE A 41 1.406 -5.921 -3.684 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.419 -4.391 -2.180 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.436 -5.922 -1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.948 -2.573 -1.520 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.821 -6.245 0.635 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.140 -1.515 0.349 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.016 -5.191 2.505 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.674 -2.821 2.367 1.00 0.00 H new ATOM 696 N LYS A 42 2.744 -3.739 -3.988 1.00 0.00 N ATOM 697 CA LYS A 42 3.704 -2.725 -4.409 1.00 0.00 C ATOM 698 C LYS A 42 3.056 -1.346 -4.464 1.00 0.00 C ATOM 699 O LYS A 42 1.835 -1.220 -4.401 1.00 0.00 O ATOM 700 CB LYS A 42 4.290 -3.083 -5.777 1.00 0.00 C ATOM 701 CG LYS A 42 4.663 -4.551 -5.915 1.00 0.00 C ATOM 702 CD LYS A 42 5.024 -4.901 -7.350 1.00 0.00 C ATOM 703 CE LYS A 42 6.529 -4.967 -7.546 1.00 0.00 C ATOM 704 NZ LYS A 42 7.142 -6.083 -6.773 1.00 0.00 N ATOM 0 H LYS A 42 1.810 -3.628 -4.383 1.00 0.00 H new ATOM 0 HA LYS A 42 4.508 -2.697 -3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.567 -2.826 -6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.176 -2.474 -5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.506 -4.777 -5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.830 -5.172 -5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.579 -5.860 -7.614 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.601 -4.157 -8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.752 -5.094 -8.605 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.977 -4.023 -7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.016 -6.393 -7.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.364 -5.758 -5.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.474 -6.879 -6.724 1.00 0.00 H new ATOM 718 N LEU A 43 3.887 -0.317 -4.584 1.00 0.00 N ATOM 719 CA LEU A 43 3.400 1.054 -4.652 1.00 0.00 C ATOM 720 C LEU A 43 4.124 1.831 -5.743 1.00 0.00 C ATOM 721 O LEU A 43 5.354 1.832 -5.806 1.00 0.00 O ATOM 722 CB LEU A 43 3.594 1.757 -3.307 1.00 0.00 C ATOM 723 CG LEU A 43 2.451 1.575 -2.306 1.00 0.00 C ATOM 724 CD1 LEU A 43 2.745 0.414 -1.369 1.00 0.00 C ATOM 725 CD2 LEU A 43 2.223 2.854 -1.517 1.00 0.00 C ATOM 0 H LEU A 43 4.902 -0.407 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 43 2.337 1.022 -4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.515 1.391 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.730 2.823 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 43 1.540 1.348 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.922 0.298 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.857 -0.502 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.667 0.612 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.406 2.705 -0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.131 3.113 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.968 3.663 -2.201 1.00 0.00 H new ATOM 737 N GLU A 44 3.358 2.493 -6.601 1.00 0.00 N ATOM 738 CA GLU A 44 3.937 3.275 -7.685 1.00 0.00 C ATOM 739 C GLU A 44 4.083 4.738 -7.282 1.00 0.00 C ATOM 740 O GLU A 44 3.133 5.515 -7.369 1.00 0.00 O ATOM 741 CB GLU A 44 3.078 3.163 -8.947 1.00 0.00 C ATOM 742 CG GLU A 44 2.565 1.756 -9.214 1.00 0.00 C ATOM 743 CD GLU A 44 1.051 1.683 -9.248 1.00 0.00 C ATOM 744 OE1 GLU A 44 0.460 2.077 -10.276 1.00 0.00 O ATOM 745 OE2 GLU A 44 0.455 1.230 -8.247 1.00 0.00 O ATOM 0 H GLU A 44 2.339 2.504 -6.568 1.00 0.00 H new ATOM 0 HA GLU A 44 4.928 2.873 -7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.228 3.840 -8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.663 3.496 -9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.963 1.403 -10.165 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.940 1.084 -8.442 1.00 0.00 H new ATOM 752 N PHE A 45 5.280 5.105 -6.836 1.00 0.00 N ATOM 753 CA PHE A 45 5.554 6.474 -6.417 1.00 0.00 C ATOM 754 C PHE A 45 5.322 7.451 -7.565 1.00 0.00 C ATOM 755 O PHE A 45 5.952 7.348 -8.618 1.00 0.00 O ATOM 756 CB PHE A 45 6.991 6.596 -5.907 1.00 0.00 C ATOM 757 CG PHE A 45 7.404 5.483 -4.983 1.00 0.00 C ATOM 758 CD1 PHE A 45 6.505 4.953 -4.069 1.00 0.00 C ATOM 759 CD2 PHE A 45 8.689 4.967 -5.028 1.00 0.00 C ATOM 760 CE1 PHE A 45 6.882 3.931 -3.219 1.00 0.00 C ATOM 761 CE2 PHE A 45 9.071 3.946 -4.180 1.00 0.00 C ATOM 762 CZ PHE A 45 8.167 3.427 -3.274 1.00 0.00 C ATOM 0 H PHE A 45 6.076 4.472 -6.756 1.00 0.00 H new ATOM 0 HA PHE A 45 4.868 6.725 -5.608 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.669 6.618 -6.760 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.103 7.548 -5.387 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.499 5.344 -4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.401 5.368 -5.735 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.173 3.527 -2.512 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.076 3.554 -4.225 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.464 2.629 -2.610 1.00 0.00 H new ATOM 772 N LYS A 46 4.415 8.397 -7.353 1.00 0.00 N ATOM 773 CA LYS A 46 4.096 9.392 -8.369 1.00 0.00 C ATOM 774 C LYS A 46 5.036 10.590 -8.275 1.00 0.00 C ATOM 775 O LYS A 46 5.415 11.175 -9.290 1.00 0.00 O ATOM 776 CB LYS A 46 2.644 9.855 -8.220 1.00 0.00 C ATOM 777 CG LYS A 46 1.626 8.813 -8.652 1.00 0.00 C ATOM 778 CD LYS A 46 1.878 8.339 -10.074 1.00 0.00 C ATOM 779 CE LYS A 46 2.733 7.082 -10.101 1.00 0.00 C ATOM 780 NZ LYS A 46 1.940 5.879 -10.477 1.00 0.00 N ATOM 0 H LYS A 46 3.887 8.496 -6.486 1.00 0.00 H new ATOM 0 HA LYS A 46 4.225 8.929 -9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.461 10.120 -7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.498 10.760 -8.810 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.665 7.962 -7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.623 9.233 -8.580 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.926 8.143 -10.567 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.373 9.129 -10.639 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.550 7.214 -10.810 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.183 6.928 -9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.585 5.094 -10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.324 5.608 -9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.357 6.094 -11.311 1.00 0.00 H new ATOM 794 N ASN A 47 5.408 10.951 -7.051 1.00 0.00 N ATOM 795 CA ASN A 47 6.304 12.080 -6.825 1.00 0.00 C ATOM 796 C ASN A 47 7.728 11.601 -6.564 1.00 0.00 C ATOM 797 O ASN A 47 8.003 10.402 -6.577 1.00 0.00 O ATOM 798 CB ASN A 47 5.810 12.922 -5.648 1.00 0.00 C ATOM 799 CG ASN A 47 5.682 12.111 -4.373 1.00 0.00 C ATOM 800 OD1 ASN A 47 4.609 11.598 -4.056 1.00 0.00 O ATOM 801 ND2 ASN A 47 6.779 11.994 -3.634 1.00 0.00 N ATOM 0 H ASN A 47 5.103 10.478 -6.200 1.00 0.00 H new ATOM 0 HA ASN A 47 6.308 12.695 -7.725 1.00 0.00 H new ATOM 0 HB2 ASN A 47 6.500 13.750 -5.482 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.843 13.358 -5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.754 11.462 -2.764 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.647 12.436 -3.936 1.00 0.00 H new ATOM 808 N THR A 48 8.630 12.548 -6.326 1.00 0.00 N ATOM 809 CA THR A 48 10.027 12.223 -6.060 1.00 0.00 C ATOM 810 C THR A 48 10.732 13.383 -5.361 1.00 0.00 C ATOM 811 O THR A 48 11.762 13.872 -5.828 1.00 0.00 O ATOM 812 CB THR A 48 10.750 11.880 -7.364 1.00 0.00 C ATOM 813 OG1 THR A 48 10.190 12.597 -8.451 1.00 0.00 O ATOM 814 CG2 THR A 48 10.697 10.408 -7.709 1.00 0.00 C ATOM 0 H THR A 48 8.419 13.546 -6.312 1.00 0.00 H new ATOM 0 HA THR A 48 10.054 11.356 -5.400 1.00 0.00 H new ATOM 0 HB THR A 48 11.790 12.160 -7.200 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.666 12.366 -9.276 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.229 10.234 -8.645 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.166 9.830 -6.912 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.658 10.097 -7.819 1.00 0.00 H new ATOM 822 N SER A 49 10.169 13.821 -4.240 1.00 0.00 N ATOM 823 CA SER A 49 10.743 14.923 -3.476 1.00 0.00 C ATOM 824 C SER A 49 10.801 16.195 -4.317 1.00 0.00 C ATOM 825 O SER A 49 11.761 16.961 -4.237 1.00 0.00 O ATOM 826 CB SER A 49 12.144 14.556 -2.986 1.00 0.00 C ATOM 827 OG SER A 49 12.084 13.751 -1.821 1.00 0.00 O ATOM 0 H SER A 49 9.316 13.430 -3.840 1.00 0.00 H new ATOM 0 HA SER A 49 10.102 15.108 -2.614 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.679 14.024 -3.772 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.708 15.464 -2.775 1.00 0.00 H new ATOM 0 HG SER A 49 12.993 13.529 -1.530 1.00 0.00 H new ATOM 833 N LYS A 50 9.767 16.412 -5.122 1.00 0.00 N ATOM 834 CA LYS A 50 9.699 17.593 -5.979 1.00 0.00 C ATOM 835 C LYS A 50 9.210 18.816 -5.204 1.00 0.00 C ATOM 836 O LYS A 50 9.116 19.912 -5.757 1.00 0.00 O ATOM 837 CB LYS A 50 8.777 17.331 -7.170 1.00 0.00 C ATOM 838 CG LYS A 50 7.335 17.059 -6.774 1.00 0.00 C ATOM 839 CD LYS A 50 6.400 17.172 -7.967 1.00 0.00 C ATOM 840 CE LYS A 50 6.588 16.014 -8.935 1.00 0.00 C ATOM 841 NZ LYS A 50 6.553 16.465 -10.354 1.00 0.00 N ATOM 0 H LYS A 50 8.965 15.787 -5.200 1.00 0.00 H new ATOM 0 HA LYS A 50 10.706 17.799 -6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.806 18.192 -7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.158 16.479 -7.733 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.257 16.061 -6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.029 17.765 -6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.367 17.193 -7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.582 18.114 -8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.540 15.523 -8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.806 15.273 -8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.685 15.646 -10.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.635 16.911 -10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.315 17.153 -10.518 1.00 0.00 H new ATOM 855 N ASN A 51 8.899 18.628 -3.922 1.00 0.00 N ATOM 856 CA ASN A 51 8.423 19.723 -3.085 1.00 0.00 C ATOM 857 C ASN A 51 7.131 20.311 -3.645 1.00 0.00 C ATOM 858 O ASN A 51 7.111 21.442 -4.132 1.00 0.00 O ATOM 859 CB ASN A 51 9.491 20.813 -2.978 1.00 0.00 C ATOM 860 CG ASN A 51 10.487 20.537 -1.869 1.00 0.00 C ATOM 861 OD1 ASN A 51 11.692 20.448 -2.109 1.00 0.00 O ATOM 862 ND2 ASN A 51 9.989 20.400 -0.646 1.00 0.00 N ATOM 0 H ASN A 51 8.969 17.730 -3.444 1.00 0.00 H new ATOM 0 HA ASN A 51 8.220 19.327 -2.090 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.021 20.894 -3.927 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.009 21.774 -2.799 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.611 20.213 0.140 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.984 20.481 -0.493 1.00 0.00 H new ATOM 869 N ALA A 52 6.054 19.536 -3.574 1.00 0.00 N ATOM 870 CA ALA A 52 4.758 19.980 -4.074 1.00 0.00 C ATOM 871 C ALA A 52 3.702 19.989 -2.970 1.00 0.00 C ATOM 872 O ALA A 52 2.513 20.153 -3.243 1.00 0.00 O ATOM 873 CB ALA A 52 4.311 19.095 -5.228 1.00 0.00 C ATOM 0 H ALA A 52 6.053 18.597 -3.175 1.00 0.00 H new ATOM 0 HA ALA A 52 4.870 21.004 -4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.342 19.436 -5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.043 19.151 -6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.227 18.064 -4.885 1.00 0.00 H new ATOM 879 N LYS A 53 4.141 19.810 -1.723 1.00 0.00 N ATOM 880 CA LYS A 53 3.236 19.798 -0.571 1.00 0.00 C ATOM 881 C LYS A 53 2.500 18.464 -0.457 1.00 0.00 C ATOM 882 O LYS A 53 2.462 17.856 0.613 1.00 0.00 O ATOM 883 CB LYS A 53 2.228 20.952 -0.654 1.00 0.00 C ATOM 884 CG LYS A 53 2.252 21.866 0.561 1.00 0.00 C ATOM 885 CD LYS A 53 1.472 21.271 1.722 1.00 0.00 C ATOM 886 CE LYS A 53 1.439 22.215 2.912 1.00 0.00 C ATOM 887 NZ LYS A 53 0.560 23.390 2.667 1.00 0.00 N ATOM 0 H LYS A 53 5.123 19.671 -1.484 1.00 0.00 H new ATOM 0 HA LYS A 53 3.845 19.930 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.436 21.542 -1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.225 20.541 -0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.284 22.040 0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.830 22.835 0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.453 21.051 1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.925 20.325 2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.088 21.677 3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.450 22.558 3.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.471 23.946 3.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.974 23.984 1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.381 23.063 2.368 1.00 0.00 H new ATOM 901 N PHE A 54 1.918 18.011 -1.563 1.00 0.00 N ATOM 902 CA PHE A 54 1.188 16.749 -1.581 1.00 0.00 C ATOM 903 C PHE A 54 1.997 15.672 -2.288 1.00 0.00 C ATOM 904 O PHE A 54 2.299 15.787 -3.474 1.00 0.00 O ATOM 905 CB PHE A 54 -0.166 16.925 -2.275 1.00 0.00 C ATOM 906 CG PHE A 54 -0.844 18.228 -1.960 1.00 0.00 C ATOM 907 CD1 PHE A 54 -0.896 18.700 -0.659 1.00 0.00 C ATOM 908 CD2 PHE A 54 -1.430 18.980 -2.967 1.00 0.00 C ATOM 909 CE1 PHE A 54 -1.517 19.900 -0.368 1.00 0.00 C ATOM 910 CE2 PHE A 54 -2.053 20.179 -2.679 1.00 0.00 C ATOM 911 CZ PHE A 54 -2.098 20.639 -1.378 1.00 0.00 C ATOM 0 H PHE A 54 1.938 18.499 -2.458 1.00 0.00 H new ATOM 0 HA PHE A 54 1.019 16.439 -0.550 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.023 16.852 -3.353 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.822 16.105 -1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.447 18.124 0.137 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.399 18.625 -3.986 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.547 20.259 0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.505 20.757 -3.472 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.587 21.575 -1.151 1.00 0.00 H new ATOM 921 N TYR A 55 2.346 14.623 -1.550 1.00 0.00 N ATOM 922 CA TYR A 55 3.119 13.530 -2.116 1.00 0.00 C ATOM 923 C TYR A 55 2.201 12.404 -2.576 1.00 0.00 C ATOM 924 O TYR A 55 1.605 11.700 -1.761 1.00 0.00 O ATOM 925 CB TYR A 55 4.123 13.001 -1.091 1.00 0.00 C ATOM 926 CG TYR A 55 5.007 14.078 -0.500 1.00 0.00 C ATOM 927 CD1 TYR A 55 4.512 14.967 0.446 1.00 0.00 C ATOM 928 CD2 TYR A 55 6.334 14.206 -0.890 1.00 0.00 C ATOM 929 CE1 TYR A 55 5.316 15.953 0.986 1.00 0.00 C ATOM 930 CE2 TYR A 55 7.143 15.189 -0.353 1.00 0.00 C ATOM 931 CZ TYR A 55 6.630 16.059 0.583 1.00 0.00 C ATOM 932 OH TYR A 55 7.433 17.040 1.120 1.00 0.00 O ATOM 0 H TYR A 55 2.106 14.509 -0.565 1.00 0.00 H new ATOM 0 HA TYR A 55 3.664 13.910 -2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.581 12.505 -0.286 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.751 12.246 -1.565 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.483 14.886 0.764 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.740 13.526 -1.625 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.917 16.637 1.720 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.173 15.275 -0.666 1.00 0.00 H new ATOM 0 HH TYR A 55 8.330 16.977 0.731 1.00 0.00 H new ATOM 942 N SER A 56 2.093 12.245 -3.889 1.00 0.00 N ATOM 943 CA SER A 56 1.247 11.210 -4.467 1.00 0.00 C ATOM 944 C SER A 56 1.926 9.846 -4.404 1.00 0.00 C ATOM 945 O SER A 56 3.113 9.717 -4.705 1.00 0.00 O ATOM 946 CB SER A 56 0.903 11.556 -5.916 1.00 0.00 C ATOM 947 OG SER A 56 0.319 10.448 -6.582 1.00 0.00 O ATOM 0 H SER A 56 2.582 12.821 -4.574 1.00 0.00 H new ATOM 0 HA SER A 56 0.328 11.161 -3.883 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.215 12.401 -5.938 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.805 11.866 -6.443 1.00 0.00 H new ATOM 0 HG SER A 56 -0.302 10.769 -7.269 1.00 0.00 H new ATOM 953 N PHE A 57 1.163 8.830 -4.012 1.00 0.00 N ATOM 954 CA PHE A 57 1.686 7.472 -3.910 1.00 0.00 C ATOM 955 C PHE A 57 0.642 6.456 -4.364 1.00 0.00 C ATOM 956 O PHE A 57 -0.476 6.430 -3.849 1.00 0.00 O ATOM 957 CB PHE A 57 2.112 7.175 -2.471 1.00 0.00 C ATOM 958 CG PHE A 57 3.518 7.603 -2.159 1.00 0.00 C ATOM 959 CD1 PHE A 57 3.804 8.928 -1.871 1.00 0.00 C ATOM 960 CD2 PHE A 57 4.552 6.680 -2.153 1.00 0.00 C ATOM 961 CE1 PHE A 57 5.096 9.324 -1.583 1.00 0.00 C ATOM 962 CE2 PHE A 57 5.845 7.071 -1.866 1.00 0.00 C ATOM 963 CZ PHE A 57 6.119 8.394 -1.580 1.00 0.00 C ATOM 0 H PHE A 57 0.179 8.922 -3.759 1.00 0.00 H new ATOM 0 HA PHE A 57 2.556 7.391 -4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.428 7.678 -1.787 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.018 6.105 -2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.009 9.659 -1.872 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.344 5.644 -2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.307 10.360 -1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.642 6.342 -1.865 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.130 8.701 -1.355 1.00 0.00 H new ATOM 973 N ASN A 58 1.010 5.622 -5.331 1.00 0.00 N ATOM 974 CA ASN A 58 0.099 4.607 -5.849 1.00 0.00 C ATOM 975 C ASN A 58 0.260 3.291 -5.094 1.00 0.00 C ATOM 976 O ASN A 58 1.235 3.093 -4.369 1.00 0.00 O ATOM 977 CB ASN A 58 0.340 4.386 -7.344 1.00 0.00 C ATOM 978 CG ASN A 58 -0.953 4.346 -8.137 1.00 0.00 C ATOM 979 OD1 ASN A 58 -2.043 4.474 -7.578 1.00 0.00 O ATOM 980 ND2 ASN A 58 -0.837 4.164 -9.447 1.00 0.00 N ATOM 0 H ASN A 58 1.930 5.628 -5.771 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.920 4.964 -5.703 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.975 5.184 -7.729 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.881 3.451 -7.488 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.671 4.126 -10.032 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.087 4.063 -9.868 1.00 0.00 H new ATOM 987 N VAL A 59 -0.705 2.395 -5.272 1.00 0.00 N ATOM 988 CA VAL A 59 -0.676 1.096 -4.609 1.00 0.00 C ATOM 989 C VAL A 59 -1.183 -0.004 -5.536 1.00 0.00 C ATOM 990 O VAL A 59 -2.160 0.181 -6.258 1.00 0.00 O ATOM 991 CB VAL A 59 -1.531 1.104 -3.327 1.00 0.00 C ATOM 992 CG1 VAL A 59 -1.410 -0.221 -2.589 1.00 0.00 C ATOM 993 CG2 VAL A 59 -1.132 2.263 -2.427 1.00 0.00 C ATOM 0 H VAL A 59 -1.517 2.545 -5.870 1.00 0.00 H new ATOM 0 HA VAL A 59 0.363 0.896 -4.345 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.575 1.237 -3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.022 -0.192 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.753 -1.030 -3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.369 -0.391 -2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.746 2.253 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.082 2.165 -2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.281 3.204 -2.957 1.00 0.00 H new ATOM 1003 N SER A 60 -0.512 -1.148 -5.504 1.00 0.00 N ATOM 1004 CA SER A 60 -0.891 -2.284 -6.336 1.00 0.00 C ATOM 1005 C SER A 60 -0.852 -3.578 -5.529 1.00 0.00 C ATOM 1006 O SER A 60 0.216 -4.026 -5.110 1.00 0.00 O ATOM 1007 CB SER A 60 0.038 -2.393 -7.546 1.00 0.00 C ATOM 1008 OG SER A 60 -0.469 -1.658 -8.647 1.00 0.00 O ATOM 0 H SER A 60 0.300 -1.315 -4.909 1.00 0.00 H new ATOM 0 HA SER A 60 -1.910 -2.124 -6.688 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.028 -2.022 -7.282 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.154 -3.440 -7.826 1.00 0.00 H new ATOM 0 HG SER A 60 -0.200 -0.719 -8.565 1.00 0.00 H new ATOM 1014 N MET A 61 -2.020 -4.173 -5.313 1.00 0.00 N ATOM 1015 CA MET A 61 -2.113 -5.415 -4.552 1.00 0.00 C ATOM 1016 C MET A 61 -3.214 -6.317 -5.102 1.00 0.00 C ATOM 1017 O MET A 61 -4.041 -5.886 -5.906 1.00 0.00 O ATOM 1018 CB MET A 61 -2.370 -5.115 -3.073 1.00 0.00 C ATOM 1019 CG MET A 61 -3.760 -4.565 -2.791 1.00 0.00 C ATOM 1020 SD MET A 61 -3.989 -2.894 -3.431 1.00 0.00 S ATOM 1021 CE MET A 61 -5.553 -3.069 -4.286 1.00 0.00 C ATOM 0 H MET A 61 -2.914 -3.817 -5.653 1.00 0.00 H new ATOM 0 HA MET A 61 -1.163 -5.940 -4.649 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.227 -6.029 -2.496 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.628 -4.398 -2.723 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.505 -5.225 -3.235 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.935 -4.565 -1.715 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.744 -2.176 -4.881 1.00 0.00 H new ATOM 0 HE2 MET A 61 -5.515 -3.940 -4.940 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.354 -3.198 -3.557 1.00 0.00 H new ATOM 1031 N GLU A 62 -3.217 -7.572 -4.663 1.00 0.00 N ATOM 1032 CA GLU A 62 -4.214 -8.537 -5.113 1.00 0.00 C ATOM 1033 C GLU A 62 -5.486 -8.450 -4.273 1.00 0.00 C ATOM 1034 O GLU A 62 -5.431 -8.417 -3.044 1.00 0.00 O ATOM 1035 CB GLU A 62 -3.643 -9.954 -5.048 1.00 0.00 C ATOM 1036 CG GLU A 62 -2.507 -10.197 -6.030 1.00 0.00 C ATOM 1037 CD GLU A 62 -2.285 -11.672 -6.308 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -3.285 -12.410 -6.432 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -1.111 -12.086 -6.403 1.00 0.00 O ATOM 0 H GLU A 62 -2.541 -7.944 -3.996 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.470 -8.299 -6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.286 -10.147 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.442 -10.668 -5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.724 -9.683 -6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.589 -9.763 -5.633 1.00 0.00 H new ATOM 1046 N VAL A 63 -6.629 -8.421 -4.948 1.00 0.00 N ATOM 1047 CA VAL A 63 -7.920 -8.346 -4.275 1.00 0.00 C ATOM 1048 C VAL A 63 -8.805 -9.521 -4.677 1.00 0.00 C ATOM 1049 O VAL A 63 -8.812 -9.935 -5.836 1.00 0.00 O ATOM 1050 CB VAL A 63 -8.648 -7.026 -4.602 1.00 0.00 C ATOM 1051 CG1 VAL A 63 -9.980 -6.949 -3.871 1.00 0.00 C ATOM 1052 CG2 VAL A 63 -7.770 -5.833 -4.252 1.00 0.00 C ATOM 0 H VAL A 63 -6.688 -8.448 -5.966 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.729 -8.385 -3.203 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.849 -7.001 -5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.476 -6.010 -4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.611 -7.783 -4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.808 -6.998 -2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.299 -4.910 -4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.535 -5.854 -3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.846 -5.880 -4.828 1.00 0.00 H new ATOM 1062 N SER A 64 -9.543 -10.060 -3.712 1.00 0.00 N ATOM 1063 CA SER A 64 -10.425 -11.194 -3.966 1.00 0.00 C ATOM 1064 C SER A 64 -11.892 -10.804 -3.805 1.00 0.00 C ATOM 1065 O SER A 64 -12.776 -11.428 -4.393 1.00 0.00 O ATOM 1066 CB SER A 64 -10.089 -12.347 -3.018 1.00 0.00 C ATOM 1067 OG SER A 64 -10.863 -13.495 -3.318 1.00 0.00 O ATOM 0 H SER A 64 -9.548 -9.730 -2.747 1.00 0.00 H new ATOM 0 HA SER A 64 -10.268 -11.514 -4.996 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.029 -12.589 -3.096 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.272 -12.040 -1.988 1.00 0.00 H new ATOM 0 HG SER A 64 -10.629 -14.218 -2.700 1.00 0.00 H new ATOM 1073 N ASN A 65 -12.149 -9.774 -3.003 1.00 0.00 N ATOM 1074 CA ASN A 65 -13.513 -9.316 -2.767 1.00 0.00 C ATOM 1075 C ASN A 65 -13.530 -8.071 -1.885 1.00 0.00 C ATOM 1076 O ASN A 65 -12.481 -7.529 -1.537 1.00 0.00 O ATOM 1077 CB ASN A 65 -14.338 -10.431 -2.117 1.00 0.00 C ATOM 1078 CG ASN A 65 -13.907 -10.727 -0.690 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -14.689 -10.572 0.248 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -12.660 -11.154 -0.518 1.00 0.00 N ATOM 0 H ASN A 65 -11.433 -9.243 -2.508 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.955 -9.057 -3.729 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.391 -10.148 -2.123 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.249 -11.338 -2.714 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.319 -11.367 0.419 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.045 -11.269 -1.323 1.00 0.00 H new ATOM 1087 N GLU A 66 -14.729 -7.622 -1.526 1.00 0.00 N ATOM 1088 CA GLU A 66 -14.886 -6.440 -0.682 1.00 0.00 C ATOM 1089 C GLU A 66 -14.147 -6.610 0.642 1.00 0.00 C ATOM 1090 O GLU A 66 -13.622 -5.645 1.199 1.00 0.00 O ATOM 1091 CB GLU A 66 -16.368 -6.167 -0.415 1.00 0.00 C ATOM 1092 CG GLU A 66 -17.170 -7.418 -0.090 1.00 0.00 C ATOM 1093 CD GLU A 66 -17.932 -7.300 1.216 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -18.585 -6.257 1.429 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -17.877 -8.251 2.024 1.00 0.00 O ATOM 0 H GLU A 66 -15.607 -8.059 -1.806 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.455 -5.591 -1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.456 -5.464 0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.803 -5.684 -1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.873 -7.615 -0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.496 -8.273 -0.037 1.00 0.00 H new ATOM 1102 N SER A 67 -14.110 -7.842 1.142 1.00 0.00 N ATOM 1103 CA SER A 67 -13.435 -8.137 2.402 1.00 0.00 C ATOM 1104 C SER A 67 -12.014 -7.582 2.403 1.00 0.00 C ATOM 1105 O SER A 67 -11.648 -6.783 3.267 1.00 0.00 O ATOM 1106 CB SER A 67 -13.406 -9.646 2.650 1.00 0.00 C ATOM 1107 OG SER A 67 -12.513 -9.973 3.702 1.00 0.00 O ATOM 0 H SER A 67 -14.539 -8.652 0.694 1.00 0.00 H new ATOM 0 HA SER A 67 -13.994 -7.655 3.204 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.408 -9.996 2.897 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.104 -10.162 1.739 1.00 0.00 H new ATOM 0 HG SER A 67 -12.514 -10.943 3.842 1.00 0.00 H new ATOM 1113 N GLU A 68 -11.218 -8.000 1.425 1.00 0.00 N ATOM 1114 CA GLU A 68 -9.840 -7.529 1.317 1.00 0.00 C ATOM 1115 C GLU A 68 -9.818 -6.022 1.107 1.00 0.00 C ATOM 1116 O GLU A 68 -9.142 -5.296 1.832 1.00 0.00 O ATOM 1117 CB GLU A 68 -9.102 -8.226 0.166 1.00 0.00 C ATOM 1118 CG GLU A 68 -9.606 -9.629 -0.139 1.00 0.00 C ATOM 1119 CD GLU A 68 -8.515 -10.539 -0.668 1.00 0.00 C ATOM 1120 OE1 GLU A 68 -7.537 -10.019 -1.247 1.00 0.00 O ATOM 1121 OE2 GLU A 68 -8.637 -11.772 -0.502 1.00 0.00 O ATOM 0 H GLU A 68 -11.500 -8.660 0.700 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.328 -7.773 2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.194 -7.616 -0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.041 -8.278 0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.029 -10.064 0.767 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.412 -9.570 -0.871 1.00 0.00 H new ATOM 1128 N ARG A 69 -10.574 -5.561 0.109 1.00 0.00 N ATOM 1129 CA ARG A 69 -10.658 -4.137 -0.211 1.00 0.00 C ATOM 1130 C ARG A 69 -10.769 -3.286 1.052 1.00 0.00 C ATOM 1131 O ARG A 69 -9.992 -2.353 1.253 1.00 0.00 O ATOM 1132 CB ARG A 69 -11.858 -3.875 -1.123 1.00 0.00 C ATOM 1133 CG ARG A 69 -11.524 -3.029 -2.341 1.00 0.00 C ATOM 1134 CD ARG A 69 -12.092 -3.632 -3.617 1.00 0.00 C ATOM 1135 NE ARG A 69 -11.952 -2.731 -4.759 1.00 0.00 N ATOM 1136 CZ ARG A 69 -12.770 -1.709 -5.001 1.00 0.00 C ATOM 1137 NH1 ARG A 69 -13.787 -1.455 -4.187 1.00 0.00 N ATOM 1138 NH2 ARG A 69 -12.570 -0.938 -6.062 1.00 0.00 N ATOM 0 H ARG A 69 -11.140 -6.158 -0.494 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.740 -3.855 -0.727 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.267 -4.829 -1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.639 -3.377 -0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.921 -2.023 -2.206 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.442 -2.935 -2.433 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -11.582 -4.571 -3.832 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.146 -3.868 -3.469 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.183 -2.895 -5.408 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -13.946 -2.045 -3.370 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -14.410 -0.670 -4.378 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.790 -1.129 -6.691 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.196 -0.155 -6.248 1.00 0.00 H new ATOM 1152 N ASN A 70 -11.735 -3.617 1.902 1.00 0.00 N ATOM 1153 CA ASN A 70 -11.940 -2.886 3.146 1.00 0.00 C ATOM 1154 C ASN A 70 -10.685 -2.933 4.011 1.00 0.00 C ATOM 1155 O ASN A 70 -10.408 -2.007 4.774 1.00 0.00 O ATOM 1156 CB ASN A 70 -13.132 -3.463 3.914 1.00 0.00 C ATOM 1157 CG ASN A 70 -14.311 -2.510 3.954 1.00 0.00 C ATOM 1158 OD1 ASN A 70 -14.452 -1.644 3.091 1.00 0.00 O ATOM 1159 ND2 ASN A 70 -15.166 -2.667 4.958 1.00 0.00 N ATOM 0 H ASN A 70 -12.388 -4.386 1.752 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.152 -1.846 2.900 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.441 -4.399 3.449 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.824 -3.699 4.933 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.979 -2.056 5.036 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.010 -3.399 5.651 1.00 0.00 H new ATOM 1166 N GLU A 71 -9.926 -4.016 3.883 1.00 0.00 N ATOM 1167 CA GLU A 71 -8.697 -4.185 4.648 1.00 0.00 C ATOM 1168 C GLU A 71 -7.542 -3.434 3.992 1.00 0.00 C ATOM 1169 O GLU A 71 -6.698 -2.856 4.676 1.00 0.00 O ATOM 1170 CB GLU A 71 -8.349 -5.670 4.772 1.00 0.00 C ATOM 1171 CG GLU A 71 -7.269 -5.956 5.803 1.00 0.00 C ATOM 1172 CD GLU A 71 -5.980 -6.451 5.176 1.00 0.00 C ATOM 1173 OE1 GLU A 71 -5.389 -5.706 4.366 1.00 0.00 O ATOM 1174 OE2 GLU A 71 -5.561 -7.584 5.496 1.00 0.00 O ATOM 0 H GLU A 71 -10.141 -4.791 3.256 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.858 -3.772 5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.249 -6.225 5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.020 -6.040 3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.067 -5.049 6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.635 -6.701 6.509 1.00 0.00 H new ATOM 1181 N ILE A 72 -7.514 -3.445 2.662 1.00 0.00 N ATOM 1182 CA ILE A 72 -6.461 -2.763 1.916 1.00 0.00 C ATOM 1183 C ILE A 72 -6.572 -1.251 2.069 1.00 0.00 C ATOM 1184 O ILE A 72 -5.569 -0.539 2.026 1.00 0.00 O ATOM 1185 CB ILE A 72 -6.505 -3.113 0.415 1.00 0.00 C ATOM 1186 CG1 ILE A 72 -6.689 -4.622 0.217 1.00 0.00 C ATOM 1187 CG2 ILE A 72 -5.237 -2.627 -0.269 1.00 0.00 C ATOM 1188 CD1 ILE A 72 -6.390 -5.104 -1.189 1.00 0.00 C ATOM 0 H ILE A 72 -8.206 -3.917 2.080 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.514 -3.106 2.333 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.359 -2.610 -0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.041 -5.151 0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.715 -4.888 0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.276 -2.878 -1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.154 -1.546 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.371 -3.108 0.186 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.544 -6.182 -1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.055 -4.605 -1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.355 -4.872 -1.441 1.00 0.00 H new ATOM 1200 N PHE A 73 -7.796 -0.766 2.243 1.00 0.00 N ATOM 1201 CA PHE A 73 -8.036 0.663 2.398 1.00 0.00 C ATOM 1202 C PHE A 73 -7.531 1.161 3.748 1.00 0.00 C ATOM 1203 O PHE A 73 -6.698 2.064 3.816 1.00 0.00 O ATOM 1204 CB PHE A 73 -9.528 0.971 2.253 1.00 0.00 C ATOM 1205 CG PHE A 73 -9.808 2.252 1.521 1.00 0.00 C ATOM 1206 CD1 PHE A 73 -9.799 3.464 2.192 1.00 0.00 C ATOM 1207 CD2 PHE A 73 -10.080 2.244 0.163 1.00 0.00 C ATOM 1208 CE1 PHE A 73 -10.058 4.646 1.523 1.00 0.00 C ATOM 1209 CE2 PHE A 73 -10.339 3.422 -0.513 1.00 0.00 C ATOM 1210 CZ PHE A 73 -10.328 4.624 0.168 1.00 0.00 C ATOM 0 H PHE A 73 -8.637 -1.342 2.280 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.486 1.182 1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.011 0.148 1.726 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.978 1.023 3.244 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.587 3.486 3.251 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.090 1.307 -0.374 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -10.049 5.584 2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.550 3.403 -1.572 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.530 5.545 -0.358 1.00 0.00 H new ATOM 1220 N GLN A 74 -8.042 0.565 4.821 1.00 0.00 N ATOM 1221 CA GLN A 74 -7.645 0.949 6.170 1.00 0.00 C ATOM 1222 C GLN A 74 -6.143 0.770 6.371 1.00 0.00 C ATOM 1223 O GLN A 74 -5.522 1.484 7.158 1.00 0.00 O ATOM 1224 CB GLN A 74 -8.410 0.123 7.204 1.00 0.00 C ATOM 1225 CG GLN A 74 -8.180 -1.375 7.079 1.00 0.00 C ATOM 1226 CD GLN A 74 -7.979 -2.050 8.421 1.00 0.00 C ATOM 1227 OE1 GLN A 74 -7.752 -1.389 9.436 1.00 0.00 O ATOM 1228 NE2 GLN A 74 -8.062 -3.376 8.436 1.00 0.00 N ATOM 0 H GLN A 74 -8.732 -0.186 4.782 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.887 2.003 6.304 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -8.116 0.445 8.203 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.476 0.328 7.104 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.032 -1.828 6.573 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.306 -1.553 6.453 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.252 -3.885 7.573 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.936 -3.885 9.311 1.00 0.00 H new ATOM 1237 N LYS A 75 -5.563 -0.192 5.657 1.00 0.00 N ATOM 1238 CA LYS A 75 -4.135 -0.465 5.761 1.00 0.00 C ATOM 1239 C LYS A 75 -3.312 0.707 5.239 1.00 0.00 C ATOM 1240 O LYS A 75 -2.474 1.258 5.955 1.00 0.00 O ATOM 1241 CB LYS A 75 -3.780 -1.737 4.985 1.00 0.00 C ATOM 1242 CG LYS A 75 -4.037 -3.016 5.766 1.00 0.00 C ATOM 1243 CD LYS A 75 -3.034 -3.190 6.894 1.00 0.00 C ATOM 1244 CE LYS A 75 -3.622 -2.773 8.233 1.00 0.00 C ATOM 1245 NZ LYS A 75 -3.047 -3.556 9.362 1.00 0.00 N ATOM 0 H LYS A 75 -6.061 -0.794 5.001 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.897 -0.609 6.815 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.358 -1.763 4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.728 -1.699 4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.047 -2.997 6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.982 -3.872 5.093 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.718 -4.232 6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.144 -2.596 6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.436 -1.711 8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.703 -2.908 8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.474 -3.241 10.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.246 -4.567 9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.018 -3.408 9.399 1.00 0.00 H new ATOM 1259 N ILE A 76 -3.553 1.089 3.988 1.00 0.00 N ATOM 1260 CA ILE A 76 -2.831 2.196 3.376 1.00 0.00 C ATOM 1261 C ILE A 76 -3.102 3.501 4.117 1.00 0.00 C ATOM 1262 O ILE A 76 -2.245 4.383 4.177 1.00 0.00 O ATOM 1263 CB ILE A 76 -3.207 2.367 1.889 1.00 0.00 C ATOM 1264 CG1 ILE A 76 -2.329 3.434 1.236 1.00 0.00 C ATOM 1265 CG2 ILE A 76 -4.680 2.725 1.746 1.00 0.00 C ATOM 1266 CD1 ILE A 76 -0.939 2.944 0.893 1.00 0.00 C ATOM 0 H ILE A 76 -4.243 0.647 3.380 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.770 1.957 3.442 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.035 1.419 1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.816 3.787 0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.249 4.289 1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.925 2.841 0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.291 1.931 2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.880 3.660 2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.371 3.753 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.434 2.617 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.009 2.108 0.197 1.00 0.00 H new ATOM 1278 N SER A 77 -4.299 3.616 4.683 1.00 0.00 N ATOM 1279 CA SER A 77 -4.681 4.812 5.423 1.00 0.00 C ATOM 1280 C SER A 77 -4.483 4.614 6.924 1.00 0.00 C ATOM 1281 O SER A 77 -5.100 5.300 7.736 1.00 0.00 O ATOM 1282 CB SER A 77 -6.140 5.171 5.135 1.00 0.00 C ATOM 1283 OG SER A 77 -6.238 6.064 4.038 1.00 0.00 O ATOM 0 H SER A 77 -5.020 2.896 4.643 1.00 0.00 H new ATOM 0 HA SER A 77 -4.039 5.630 5.095 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.706 4.264 4.922 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.588 5.625 6.019 1.00 0.00 H new ATOM 0 HG SER A 77 -7.180 6.277 3.873 1.00 0.00 H new ATOM 1289 N GLN A 78 -3.614 3.671 7.283 1.00 0.00 N ATOM 1290 CA GLN A 78 -3.335 3.387 8.687 1.00 0.00 C ATOM 1291 C GLN A 78 -2.771 4.617 9.388 1.00 0.00 C ATOM 1292 O GLN A 78 -3.270 5.032 10.435 1.00 0.00 O ATOM 1293 CB GLN A 78 -2.353 2.218 8.808 1.00 0.00 C ATOM 1294 CG GLN A 78 -3.028 0.880 9.058 1.00 0.00 C ATOM 1295 CD GLN A 78 -2.960 0.456 10.512 1.00 0.00 C ATOM 1296 OE1 GLN A 78 -1.875 0.279 11.069 1.00 0.00 O ATOM 1297 NE2 GLN A 78 -4.120 0.290 11.136 1.00 0.00 N ATOM 0 H GLN A 78 -3.093 3.093 6.623 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.273 3.114 9.171 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.764 2.153 7.893 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.657 2.422 9.622 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.072 0.940 8.749 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.556 0.118 8.438 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.995 0.448 10.636 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.136 0.005 12.115 1.00 0.00 H new ATOM 1306 N LEU A 79 -1.725 5.196 8.806 1.00 0.00 N ATOM 1307 CA LEU A 79 -1.091 6.380 9.376 1.00 0.00 C ATOM 1308 C LEU A 79 -2.046 7.568 9.367 1.00 0.00 C ATOM 1309 O LEU A 79 -3.133 7.499 8.793 1.00 0.00 O ATOM 1310 CB LEU A 79 0.180 6.727 8.596 1.00 0.00 C ATOM 1311 CG LEU A 79 1.461 6.071 9.120 1.00 0.00 C ATOM 1312 CD1 LEU A 79 1.651 6.376 10.598 1.00 0.00 C ATOM 1313 CD2 LEU A 79 1.424 4.568 8.883 1.00 0.00 C ATOM 0 H LEU A 79 -1.299 4.865 7.941 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.827 6.158 10.410 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.040 6.436 7.555 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.312 7.809 8.609 1.00 0.00 H new ATOM 0 HG LEU A 79 2.309 6.484 8.574 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.566 5.902 10.953 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.722 7.454 10.741 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.801 5.991 11.161 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.342 4.117 9.261 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.568 4.139 9.403 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.336 4.370 7.815 1.00 0.00 H new ATOM 1325 N ASP A 80 -1.635 8.658 10.007 1.00 0.00 N ATOM 1326 CA ASP A 80 -2.455 9.862 10.074 1.00 0.00 C ATOM 1327 C ASP A 80 -1.864 10.973 9.212 1.00 0.00 C ATOM 1328 O ASP A 80 -1.983 12.155 9.535 1.00 0.00 O ATOM 1329 CB ASP A 80 -2.582 10.338 11.523 1.00 0.00 C ATOM 1330 CG ASP A 80 -1.242 10.417 12.225 1.00 0.00 C ATOM 1331 OD1 ASP A 80 -0.225 10.655 11.539 1.00 0.00 O ATOM 1332 OD2 ASP A 80 -1.207 10.244 13.462 1.00 0.00 O ATOM 0 H ASP A 80 -0.738 8.732 10.487 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.446 9.618 9.690 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.056 11.319 11.540 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.236 9.659 12.070 1.00 0.00 H new ATOM 1337 N LYS A 81 -1.227 10.585 8.111 1.00 0.00 N ATOM 1338 CA LYS A 81 -0.618 11.546 7.200 1.00 0.00 C ATOM 1339 C LYS A 81 -1.449 11.689 5.929 1.00 0.00 C ATOM 1340 O LYS A 81 -1.861 12.790 5.564 1.00 0.00 O ATOM 1341 CB LYS A 81 0.808 11.115 6.845 1.00 0.00 C ATOM 1342 CG LYS A 81 1.621 10.652 8.043 1.00 0.00 C ATOM 1343 CD LYS A 81 2.623 11.710 8.482 1.00 0.00 C ATOM 1344 CE LYS A 81 3.646 11.140 9.451 1.00 0.00 C ATOM 1345 NZ LYS A 81 3.002 10.563 10.663 1.00 0.00 N ATOM 0 H LYS A 81 -1.120 9.611 7.829 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.582 12.513 7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.763 10.308 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.322 11.949 6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.951 10.419 8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.149 9.732 7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.134 12.114 7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.095 12.539 8.954 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.231 10.369 8.949 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.341 11.925 9.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.731 10.340 11.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.332 11.252 11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.493 9.694 10.405 1.00 0.00 H new ATOM 1359 N VAL A 82 -1.689 10.564 5.259 1.00 0.00 N ATOM 1360 CA VAL A 82 -2.470 10.548 4.024 1.00 0.00 C ATOM 1361 C VAL A 82 -3.726 11.409 4.142 1.00 0.00 C ATOM 1362 O VAL A 82 -4.435 11.356 5.147 1.00 0.00 O ATOM 1363 CB VAL A 82 -2.883 9.115 3.642 1.00 0.00 C ATOM 1364 CG1 VAL A 82 -1.655 8.258 3.368 1.00 0.00 C ATOM 1365 CG2 VAL A 82 -3.745 8.496 4.735 1.00 0.00 C ATOM 0 H VAL A 82 -1.352 9.647 5.553 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.828 10.959 3.245 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.475 9.160 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.968 7.249 3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.085 8.692 2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.032 8.219 4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.027 7.483 4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.182 8.464 5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.644 9.097 4.874 1.00 0.00 H new ATOM 1375 N VAL A 83 -3.991 12.201 3.110 1.00 0.00 N ATOM 1376 CA VAL A 83 -5.158 13.072 3.094 1.00 0.00 C ATOM 1377 C VAL A 83 -6.085 12.726 1.932 1.00 0.00 C ATOM 1378 O VAL A 83 -7.301 12.636 2.099 1.00 0.00 O ATOM 1379 CB VAL A 83 -4.744 14.552 2.990 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -5.965 15.459 3.003 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -3.790 14.917 4.117 1.00 0.00 C ATOM 0 H VAL A 83 -3.412 12.257 2.272 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.689 12.916 4.033 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.228 14.697 2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.647 16.499 2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.608 15.215 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.516 15.314 3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.507 15.966 4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.280 14.753 5.076 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.898 14.294 4.054 1.00 0.00 H new ATOM 1391 N GLN A 84 -5.500 12.532 0.753 1.00 0.00 N ATOM 1392 CA GLN A 84 -6.274 12.196 -0.436 1.00 0.00 C ATOM 1393 C GLN A 84 -6.271 10.690 -0.680 1.00 0.00 C ATOM 1394 O GLN A 84 -5.215 10.083 -0.858 1.00 0.00 O ATOM 1395 CB GLN A 84 -5.711 12.924 -1.659 1.00 0.00 C ATOM 1396 CG GLN A 84 -6.761 13.248 -2.710 1.00 0.00 C ATOM 1397 CD GLN A 84 -7.158 14.711 -2.705 1.00 0.00 C ATOM 1398 OE1 GLN A 84 -6.954 15.419 -1.719 1.00 0.00 O ATOM 1399 NE2 GLN A 84 -7.729 15.172 -3.811 1.00 0.00 N ATOM 0 H GLN A 84 -4.494 12.602 0.597 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.303 12.517 -0.272 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.236 13.850 -1.334 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.933 12.309 -2.112 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.378 12.983 -3.695 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.645 12.635 -2.536 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.879 14.550 -4.605 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.018 16.149 -3.867 1.00 0.00 H new ATOM 1408 N THR A 85 -7.458 10.095 -0.685 1.00 0.00 N ATOM 1409 CA THR A 85 -7.594 8.659 -0.907 1.00 0.00 C ATOM 1410 C THR A 85 -8.511 8.376 -2.091 1.00 0.00 C ATOM 1411 O THR A 85 -9.598 8.941 -2.199 1.00 0.00 O ATOM 1412 CB THR A 85 -8.139 7.977 0.349 1.00 0.00 C ATOM 1413 OG1 THR A 85 -8.275 6.583 0.144 1.00 0.00 O ATOM 1414 CG2 THR A 85 -9.488 8.511 0.782 1.00 0.00 C ATOM 0 H THR A 85 -8.341 10.584 -0.538 1.00 0.00 H new ATOM 0 HA THR A 85 -6.606 8.256 -1.131 1.00 0.00 H new ATOM 0 HB THR A 85 -7.412 8.192 1.132 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.155 6.290 0.461 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.817 7.985 1.678 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.406 9.577 0.996 1.00 0.00 H new ATOM 0 HG23 THR A 85 -10.214 8.357 -0.016 1.00 0.00 H new ATOM 1422 N LEU A 86 -8.062 7.494 -2.982 1.00 0.00 N ATOM 1423 CA LEU A 86 -8.842 7.132 -4.160 1.00 0.00 C ATOM 1424 C LEU A 86 -9.135 8.358 -5.020 1.00 0.00 C ATOM 1425 O LEU A 86 -9.674 8.183 -6.132 1.00 0.00 O ATOM 1426 CB LEU A 86 -10.153 6.462 -3.742 1.00 0.00 C ATOM 1427 CG LEU A 86 -10.771 5.536 -4.791 1.00 0.00 C ATOM 1428 CD1 LEU A 86 -11.382 4.310 -4.130 1.00 0.00 C ATOM 1429 CD2 LEU A 86 -11.817 6.280 -5.609 1.00 0.00 C ATOM 1430 OXT LEU A 86 -8.822 9.482 -4.573 1.00 0.00 O ATOM 0 H LEU A 86 -7.163 7.018 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.254 6.430 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.976 5.888 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -10.877 7.238 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.981 5.203 -5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.816 3.664 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -10.608 3.764 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.160 4.622 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -12.246 5.606 -6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.605 6.642 -4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.350 7.125 -6.114 1.00 0.00 H new TER 1442 LEU A 86