USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 733 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 NoAdj-H: A 10 HIS HD1 : A 10 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 75 ASN : amide:sc= -8.39! C(o=-15!,f=-19!) USER MOD Set 1.2: A 77 THR OG1 : rot 89:sc= -6.73! USER MOD Set 2.1: A 39 ASN : amide:sc= -3.75! K(o=-5!,f=-0.61) USER MOD Set 2.2: A 56 SER OG : rot -140:sc= -1.2 USER MOD Set 3.1: A 31 GLN : amide:sc= -5.71! C(o=-7.8!,f=-7.9!) USER MOD Set 3.2: A 32 SER OG : rot -160:sc= -2.09! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 1.15 (180deg=-1.16!) USER MOD Single : A 4 SER OG : rot 179:sc= 0.0642 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.385 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -112:sc= 1.6 (180deg=-0.484) USER MOD Single : A 26 SER OG : rot -51:sc= -0.724 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 36 THR OG1 : rot 73:sc= -0.998! USER MOD Single : A 45 GLN : amide:sc= -3.32! C(o=-3.3!,f=-6.5!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc=-0.00832 USER MOD Single : A 62 THR OG1 : rot -97:sc= 0.855 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -143:sc= -0.142 (180deg=-2.22) USER MOD Single : A 69 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.299) USER MOD Single : A 71 ASN : amide:sc= -1.53 K(o=-1.5,f=-8.7!) USER MOD Single : A 73 THR OG1 : rot 6:sc= -0.827 USER MOD Single : A 78 THR OG1 : rot 140:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.027 X(o=-0.027,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.703 0.633 -2.244 1.00 0.00 N ATOM 2 CA MET A 1 16.515 -0.783 -2.672 1.00 0.00 C ATOM 3 C MET A 1 17.319 -1.703 -1.751 1.00 0.00 C ATOM 4 O MET A 1 18.513 -1.865 -1.909 1.00 0.00 O ATOM 5 CB MET A 1 17.002 -0.949 -4.112 1.00 0.00 C ATOM 6 CG MET A 1 16.189 -0.041 -5.036 1.00 0.00 C ATOM 7 SD MET A 1 16.698 1.679 -4.790 1.00 0.00 S ATOM 8 CE MET A 1 15.218 2.455 -5.485 1.00 0.00 C ATOM 0 H1 MET A 1 15.813 0.996 -1.846 1.00 0.00 H new ATOM 0 H2 MET A 1 17.450 0.681 -1.522 1.00 0.00 H new ATOM 0 H3 MET A 1 16.977 1.210 -3.065 1.00 0.00 H new ATOM 0 HA MET A 1 15.458 -1.044 -2.615 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.061 -0.699 -4.180 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.899 -1.988 -4.424 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.341 -0.332 -6.075 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.125 -0.150 -4.827 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.318 3.539 -5.434 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.101 2.150 -6.525 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.342 2.144 -4.915 1.00 0.00 H new ATOM 18 N GLY A 2 16.675 -2.309 -0.791 1.00 0.00 N ATOM 19 CA GLY A 2 17.405 -3.218 0.138 1.00 0.00 C ATOM 20 C GLY A 2 18.092 -2.392 1.228 1.00 0.00 C ATOM 21 O GLY A 2 18.232 -2.826 2.353 1.00 0.00 O ATOM 0 H GLY A 2 15.676 -2.214 -0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 2 16.711 -3.928 0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 2 18.144 -3.800 -0.412 1.00 0.00 H new ATOM 25 N ASP A 3 18.522 -1.203 0.902 1.00 0.00 N ATOM 26 CA ASP A 3 19.199 -0.350 1.918 1.00 0.00 C ATOM 27 C ASP A 3 18.147 0.390 2.748 1.00 0.00 C ATOM 28 O ASP A 3 16.964 0.307 2.484 1.00 0.00 O ATOM 29 CB ASP A 3 20.098 0.668 1.212 1.00 0.00 C ATOM 30 CG ASP A 3 19.264 1.492 0.230 1.00 0.00 C ATOM 31 OD1 ASP A 3 18.193 1.036 -0.136 1.00 0.00 O ATOM 32 OD2 ASP A 3 19.711 2.566 -0.141 1.00 0.00 O ATOM 0 H ASP A 3 18.433 -0.786 -0.025 1.00 0.00 H new ATOM 0 HA ASP A 3 19.803 -0.977 2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 3 20.568 1.323 1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 3 20.900 0.155 0.682 1.00 0.00 H new ATOM 37 N SER A 4 18.568 1.115 3.749 1.00 0.00 N ATOM 38 CA SER A 4 17.593 1.859 4.596 1.00 0.00 C ATOM 39 C SER A 4 16.864 0.880 5.521 1.00 0.00 C ATOM 40 O SER A 4 17.059 -0.316 5.447 1.00 0.00 O ATOM 41 CB SER A 4 16.582 2.581 3.700 1.00 0.00 C ATOM 42 OG SER A 4 16.234 3.825 4.295 1.00 0.00 O ATOM 0 H SER A 4 19.546 1.224 4.017 1.00 0.00 H new ATOM 0 HA SER A 4 18.124 2.594 5.201 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.007 2.744 2.710 1.00 0.00 H new ATOM 0 HB3 SER A 4 15.692 1.966 3.567 1.00 0.00 H new ATOM 0 HG SER A 4 15.604 4.301 3.714 1.00 0.00 H new ATOM 48 N ARG A 5 16.028 1.382 6.391 1.00 0.00 N ATOM 49 CA ARG A 5 15.279 0.488 7.326 1.00 0.00 C ATOM 50 C ARG A 5 13.799 0.496 6.937 1.00 0.00 C ATOM 51 O ARG A 5 13.181 -0.538 6.770 1.00 0.00 O ATOM 52 CB ARG A 5 15.438 0.999 8.767 1.00 0.00 C ATOM 53 CG ARG A 5 16.630 1.957 8.847 1.00 0.00 C ATOM 54 CD ARG A 5 16.879 2.348 10.305 1.00 0.00 C ATOM 55 NE ARG A 5 17.665 3.613 10.351 1.00 0.00 N ATOM 56 CZ ARG A 5 17.077 4.754 10.119 1.00 0.00 C ATOM 57 NH1 ARG A 5 17.765 5.863 10.159 1.00 0.00 N ATOM 58 NH2 ARG A 5 15.802 4.788 9.846 1.00 0.00 N ATOM 0 H ARG A 5 15.830 2.377 6.496 1.00 0.00 H new ATOM 0 HA ARG A 5 15.672 -0.527 7.263 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.528 1.508 9.085 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.588 0.160 9.446 1.00 0.00 H new ATOM 0 HG2 ARG A 5 17.519 1.483 8.430 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.434 2.848 8.250 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.930 2.477 10.825 1.00 0.00 H new ATOM 0 HD3 ARG A 5 17.419 1.553 10.819 1.00 0.00 H new ATOM 0 HE ARG A 5 18.662 3.587 10.564 1.00 0.00 H new ATOM 0 HH11 ARG A 5 18.762 5.837 10.372 1.00 0.00 H new ATOM 0 HH12 ARG A 5 17.305 6.755 9.978 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.264 3.922 9.814 1.00 0.00 H new ATOM 0 HH22 ARG A 5 15.343 5.681 9.665 1.00 0.00 H new ATOM 72 N ASP A 6 13.232 1.660 6.782 1.00 0.00 N ATOM 73 CA ASP A 6 11.796 1.752 6.392 1.00 0.00 C ATOM 74 C ASP A 6 11.530 0.798 5.225 1.00 0.00 C ATOM 75 O ASP A 6 10.444 0.278 5.065 1.00 0.00 O ATOM 76 CB ASP A 6 11.493 3.193 5.961 1.00 0.00 C ATOM 77 CG ASP A 6 10.302 3.737 6.755 1.00 0.00 C ATOM 78 OD1 ASP A 6 9.372 2.982 6.982 1.00 0.00 O ATOM 79 OD2 ASP A 6 10.344 4.898 7.127 1.00 0.00 O ATOM 0 H ASP A 6 13.703 2.556 6.909 1.00 0.00 H new ATOM 0 HA ASP A 6 11.159 1.478 7.233 1.00 0.00 H new ATOM 0 HB2 ASP A 6 12.368 3.822 6.125 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.274 3.224 4.894 1.00 0.00 H new ATOM 84 N LEU A 7 12.515 0.577 4.402 1.00 0.00 N ATOM 85 CA LEU A 7 12.330 -0.331 3.236 1.00 0.00 C ATOM 86 C LEU A 7 11.936 -1.733 3.730 1.00 0.00 C ATOM 87 O LEU A 7 12.200 -2.101 4.857 1.00 0.00 O ATOM 88 CB LEU A 7 13.638 -0.353 2.406 1.00 0.00 C ATOM 89 CG LEU A 7 14.499 -1.610 2.671 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.704 -1.832 4.179 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.851 -2.853 2.031 1.00 0.00 C ATOM 0 H LEU A 7 13.445 0.988 4.487 1.00 0.00 H new ATOM 0 HA LEU A 7 11.525 0.026 2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.390 -0.306 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.223 0.537 2.636 1.00 0.00 H new ATOM 0 HG LEU A 7 15.476 -1.450 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.313 -2.722 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.209 -0.967 4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.736 -1.964 4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.470 -3.728 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.860 -3.007 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.764 -2.704 0.955 1.00 0.00 H new ATOM 103 N CYS A 8 11.299 -2.512 2.891 1.00 0.00 N ATOM 104 CA CYS A 8 10.883 -3.894 3.293 1.00 0.00 C ATOM 105 C CYS A 8 11.383 -4.883 2.233 1.00 0.00 C ATOM 106 O CYS A 8 11.669 -4.510 1.114 1.00 0.00 O ATOM 107 CB CYS A 8 9.345 -3.975 3.419 1.00 0.00 C ATOM 108 SG CYS A 8 8.686 -5.260 2.309 1.00 0.00 S ATOM 0 H CYS A 8 11.047 -2.249 1.938 1.00 0.00 H new ATOM 0 HA CYS A 8 11.315 -4.143 4.262 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.069 -4.199 4.449 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.902 -3.010 3.173 1.00 0.00 H new ATOM 113 N PRO A 9 11.496 -6.134 2.583 1.00 0.00 N ATOM 114 CA PRO A 9 11.979 -7.200 1.649 1.00 0.00 C ATOM 115 C PRO A 9 11.156 -7.238 0.359 1.00 0.00 C ATOM 116 O PRO A 9 11.675 -7.122 -0.732 1.00 0.00 O ATOM 117 CB PRO A 9 11.777 -8.500 2.449 1.00 0.00 C ATOM 118 CG PRO A 9 10.833 -8.133 3.544 1.00 0.00 C ATOM 119 CD PRO A 9 11.167 -6.692 3.896 1.00 0.00 C ATOM 0 HA PRO A 9 13.010 -7.036 1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.366 -9.291 1.821 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.722 -8.869 2.849 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.797 -8.228 3.219 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.958 -8.788 4.407 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.325 -6.178 4.360 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.004 -6.624 4.591 1.00 0.00 H new ATOM 127 N HIS A 10 9.873 -7.400 0.494 1.00 0.00 N ATOM 128 CA HIS A 10 8.985 -7.448 -0.708 1.00 0.00 C ATOM 129 C HIS A 10 8.793 -6.031 -1.243 1.00 0.00 C ATOM 130 O HIS A 10 8.102 -5.808 -2.216 1.00 0.00 O ATOM 131 CB HIS A 10 7.625 -8.053 -0.324 1.00 0.00 C ATOM 132 CG HIS A 10 7.827 -9.093 0.740 1.00 0.00 C ATOM 133 ND1 HIS A 10 7.895 -8.778 2.097 1.00 0.00 N ATOM 134 CD2 HIS A 10 7.986 -10.454 0.660 1.00 0.00 C ATOM 135 CE1 HIS A 10 8.089 -9.936 2.760 1.00 0.00 C ATOM 136 NE2 HIS A 10 8.151 -10.978 1.933 1.00 0.00 N ATOM 0 H HIS A 10 9.393 -7.502 1.388 1.00 0.00 H new ATOM 0 HA HIS A 10 9.442 -8.069 -1.479 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.956 -7.272 0.037 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.152 -8.499 -1.199 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.983 -11.029 -0.254 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.183 -10.010 3.833 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.291 -11.957 2.184 1.00 0.00 H new ATOM 144 N LEU A 11 9.405 -5.071 -0.610 1.00 0.00 N ATOM 145 CA LEU A 11 9.267 -3.663 -1.068 1.00 0.00 C ATOM 146 C LEU A 11 10.049 -3.469 -2.368 1.00 0.00 C ATOM 147 O LEU A 11 9.745 -2.601 -3.163 1.00 0.00 O ATOM 148 CB LEU A 11 9.815 -2.736 0.019 1.00 0.00 C ATOM 149 CG LEU A 11 9.334 -1.292 -0.214 1.00 0.00 C ATOM 150 CD1 LEU A 11 8.998 -0.631 1.129 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.435 -0.489 -0.916 1.00 0.00 C ATOM 0 H LEU A 11 9.998 -5.203 0.209 1.00 0.00 H new ATOM 0 HA LEU A 11 8.218 -3.430 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.487 -3.081 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.905 -2.768 0.018 1.00 0.00 H new ATOM 0 HG LEU A 11 8.442 -1.311 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.658 0.390 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.210 -1.197 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.887 -0.616 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.092 0.533 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.329 -0.476 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.668 -0.952 -1.875 1.00 0.00 H new ATOM 163 N ASP A 12 11.051 -4.273 -2.594 1.00 0.00 N ATOM 164 CA ASP A 12 11.848 -4.142 -3.846 1.00 0.00 C ATOM 165 C ASP A 12 11.199 -4.978 -4.951 1.00 0.00 C ATOM 166 O ASP A 12 11.431 -4.763 -6.125 1.00 0.00 O ATOM 167 CB ASP A 12 13.267 -4.652 -3.595 1.00 0.00 C ATOM 168 CG ASP A 12 14.077 -4.568 -4.889 1.00 0.00 C ATOM 169 OD1 ASP A 12 13.660 -3.848 -5.781 1.00 0.00 O ATOM 170 OD2 ASP A 12 15.102 -5.226 -4.966 1.00 0.00 O ATOM 0 H ASP A 12 11.353 -5.017 -1.964 1.00 0.00 H new ATOM 0 HA ASP A 12 11.881 -3.096 -4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.745 -4.059 -2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.237 -5.682 -3.239 1.00 0.00 H new ATOM 175 N SER A 13 10.397 -5.939 -4.583 1.00 0.00 N ATOM 176 CA SER A 13 9.740 -6.802 -5.606 1.00 0.00 C ATOM 177 C SER A 13 8.505 -6.098 -6.176 1.00 0.00 C ATOM 178 O SER A 13 8.103 -6.345 -7.296 1.00 0.00 O ATOM 179 CB SER A 13 9.318 -8.120 -4.957 1.00 0.00 C ATOM 180 OG SER A 13 8.983 -9.058 -5.971 1.00 0.00 O ATOM 0 H SER A 13 10.168 -6.165 -3.615 1.00 0.00 H new ATOM 0 HA SER A 13 10.444 -6.995 -6.416 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.127 -8.509 -4.339 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.464 -7.958 -4.300 1.00 0.00 H new ATOM 0 HG SER A 13 8.714 -9.905 -5.557 1.00 0.00 H new ATOM 186 N ILE A 14 7.895 -5.227 -5.420 1.00 0.00 N ATOM 187 CA ILE A 14 6.683 -4.519 -5.927 1.00 0.00 C ATOM 188 C ILE A 14 7.097 -3.365 -6.845 1.00 0.00 C ATOM 189 O ILE A 14 6.278 -2.771 -7.517 1.00 0.00 O ATOM 190 CB ILE A 14 5.900 -3.955 -4.746 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.838 -3.132 -3.861 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.307 -5.106 -3.929 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.015 -2.194 -2.975 1.00 0.00 C ATOM 0 H ILE A 14 8.182 -4.974 -4.474 1.00 0.00 H new ATOM 0 HA ILE A 14 6.066 -5.223 -6.485 1.00 0.00 H new ATOM 0 HB ILE A 14 5.095 -3.319 -5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.445 -3.794 -3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.525 -2.555 -4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.747 -4.703 -3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.639 -5.694 -4.559 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.111 -5.743 -3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.684 -1.608 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.428 -1.523 -3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.346 -2.781 -2.346 1.00 0.00 H new ATOM 205 N GLY A 15 8.360 -3.036 -6.877 1.00 0.00 N ATOM 206 CA GLY A 15 8.814 -1.915 -7.751 1.00 0.00 C ATOM 207 C GLY A 15 8.046 -0.640 -7.389 1.00 0.00 C ATOM 208 O GLY A 15 7.641 -0.451 -6.258 1.00 0.00 O ATOM 0 H GLY A 15 9.095 -3.493 -6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.885 -1.754 -7.627 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.648 -2.167 -8.799 1.00 0.00 H new ATOM 212 N GLU A 16 7.843 0.237 -8.339 1.00 0.00 N ATOM 213 CA GLU A 16 7.101 1.504 -8.054 1.00 0.00 C ATOM 214 C GLU A 16 6.003 1.697 -9.104 1.00 0.00 C ATOM 215 O GLU A 16 6.259 2.122 -10.212 1.00 0.00 O ATOM 216 CB GLU A 16 8.073 2.692 -8.110 1.00 0.00 C ATOM 217 CG GLU A 16 7.528 3.862 -7.276 1.00 0.00 C ATOM 218 CD GLU A 16 6.059 4.111 -7.622 1.00 0.00 C ATOM 219 OE1 GLU A 16 5.229 3.315 -7.213 1.00 0.00 O ATOM 220 OE2 GLU A 16 5.787 5.097 -8.288 1.00 0.00 O ATOM 0 H GLU A 16 8.160 0.130 -9.303 1.00 0.00 H new ATOM 0 HA GLU A 16 6.653 1.447 -7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.050 2.390 -7.732 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.215 3.007 -9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.627 3.639 -6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.113 4.761 -7.469 1.00 0.00 H new ATOM 227 N VAL A 17 4.780 1.399 -8.759 1.00 0.00 N ATOM 228 CA VAL A 17 3.668 1.581 -9.735 1.00 0.00 C ATOM 229 C VAL A 17 3.547 3.068 -10.071 1.00 0.00 C ATOM 230 O VAL A 17 4.384 3.863 -9.696 1.00 0.00 O ATOM 231 CB VAL A 17 2.358 1.085 -9.120 1.00 0.00 C ATOM 232 CG1 VAL A 17 2.469 -0.410 -8.817 1.00 0.00 C ATOM 233 CG2 VAL A 17 2.083 1.848 -7.822 1.00 0.00 C ATOM 0 H VAL A 17 4.503 1.038 -7.846 1.00 0.00 H new ATOM 0 HA VAL A 17 3.873 1.011 -10.641 1.00 0.00 H new ATOM 0 HB VAL A 17 1.541 1.254 -9.822 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.535 -0.763 -8.379 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.665 -0.955 -9.740 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.286 -0.579 -8.115 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.150 1.495 -7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.900 1.679 -7.121 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.003 2.914 -8.036 1.00 0.00 H new ATOM 243 N THR A 18 2.515 3.457 -10.769 1.00 0.00 N ATOM 244 CA THR A 18 2.367 4.900 -11.108 1.00 0.00 C ATOM 245 C THR A 18 2.165 5.688 -9.814 1.00 0.00 C ATOM 246 O THR A 18 1.348 5.343 -8.987 1.00 0.00 O ATOM 247 CB THR A 18 1.151 5.086 -12.031 1.00 0.00 C ATOM 248 OG1 THR A 18 0.478 3.843 -12.177 1.00 0.00 O ATOM 249 CG2 THR A 18 1.612 5.576 -13.407 1.00 0.00 C ATOM 0 H THR A 18 1.776 2.846 -11.116 1.00 0.00 H new ATOM 0 HA THR A 18 3.259 5.260 -11.621 1.00 0.00 H new ATOM 0 HB THR A 18 0.477 5.823 -11.594 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.299 3.958 -12.763 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.746 5.706 -14.056 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.130 6.529 -13.299 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.288 4.843 -13.847 1.00 0.00 H new ATOM 257 N LYS A 19 2.894 6.752 -9.637 1.00 0.00 N ATOM 258 CA LYS A 19 2.721 7.560 -8.400 1.00 0.00 C ATOM 259 C LYS A 19 1.261 7.981 -8.353 1.00 0.00 C ATOM 260 O LYS A 19 0.544 7.690 -7.417 1.00 0.00 O ATOM 261 CB LYS A 19 3.638 8.794 -8.443 1.00 0.00 C ATOM 262 CG LYS A 19 4.620 8.668 -9.616 1.00 0.00 C ATOM 263 CD LYS A 19 5.915 9.429 -9.300 1.00 0.00 C ATOM 264 CE LYS A 19 6.909 8.488 -8.612 1.00 0.00 C ATOM 265 NZ LYS A 19 8.049 9.278 -8.069 1.00 0.00 N ATOM 0 H LYS A 19 3.598 7.096 -10.290 1.00 0.00 H new ATOM 0 HA LYS A 19 2.987 6.986 -7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.041 9.699 -8.552 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.186 8.885 -7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.842 7.618 -9.804 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.167 9.065 -10.524 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.349 9.825 -10.218 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.700 10.281 -8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.414 7.944 -7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.273 7.745 -9.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.723 8.639 -7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.527 9.777 -8.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.694 9.970 -7.379 1.00 0.00 H new ATOM 279 N GLU A 20 0.812 8.632 -9.388 1.00 0.00 N ATOM 280 CA GLU A 20 -0.607 9.036 -9.455 1.00 0.00 C ATOM 281 C GLU A 20 -1.452 7.845 -9.019 1.00 0.00 C ATOM 282 O GLU A 20 -2.487 7.993 -8.413 1.00 0.00 O ATOM 283 CB GLU A 20 -0.953 9.433 -10.887 1.00 0.00 C ATOM 284 CG GLU A 20 -2.473 9.457 -11.077 1.00 0.00 C ATOM 285 CD GLU A 20 -2.798 9.726 -12.547 1.00 0.00 C ATOM 286 OE1 GLU A 20 -2.052 10.460 -13.174 1.00 0.00 O ATOM 287 OE2 GLU A 20 -3.790 9.196 -13.021 1.00 0.00 O ATOM 0 H GLU A 20 1.376 8.901 -10.194 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.800 9.889 -8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.536 10.415 -11.111 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.503 8.728 -11.586 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.904 8.505 -10.766 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.917 10.229 -10.448 1.00 0.00 H new ATOM 294 N ASP A 21 -1.003 6.655 -9.309 1.00 0.00 N ATOM 295 CA ASP A 21 -1.785 5.461 -8.884 1.00 0.00 C ATOM 296 C ASP A 21 -2.039 5.586 -7.385 1.00 0.00 C ATOM 297 O ASP A 21 -3.112 5.301 -6.895 1.00 0.00 O ATOM 298 CB ASP A 21 -0.999 4.178 -9.183 1.00 0.00 C ATOM 299 CG ASP A 21 -1.970 3.005 -9.339 1.00 0.00 C ATOM 300 OD1 ASP A 21 -2.984 3.185 -9.993 1.00 0.00 O ATOM 301 OD2 ASP A 21 -1.681 1.948 -8.803 1.00 0.00 O ATOM 0 H ASP A 21 -0.140 6.459 -9.815 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.728 5.410 -9.428 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.414 4.302 -10.094 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.294 3.975 -8.377 1.00 0.00 H new ATOM 306 N LEU A 22 -1.057 6.043 -6.662 1.00 0.00 N ATOM 307 CA LEU A 22 -1.230 6.225 -5.196 1.00 0.00 C ATOM 308 C LEU A 22 -2.123 7.434 -4.972 1.00 0.00 C ATOM 309 O LEU A 22 -2.745 7.591 -3.939 1.00 0.00 O ATOM 310 CB LEU A 22 0.131 6.464 -4.537 1.00 0.00 C ATOM 311 CG LEU A 22 0.900 5.145 -4.443 1.00 0.00 C ATOM 312 CD1 LEU A 22 1.006 4.510 -5.832 1.00 0.00 C ATOM 313 CD2 LEU A 22 2.305 5.417 -3.896 1.00 0.00 C ATOM 0 H LEU A 22 -0.139 6.299 -7.025 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.679 5.334 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.703 7.189 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.006 6.887 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 22 0.373 4.463 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.554 3.571 -5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.006 4.318 -6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.533 5.188 -6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.857 4.479 -3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.830 6.099 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.229 5.867 -2.906 1.00 0.00 H new ATOM 325 N LEU A 23 -2.187 8.288 -5.947 1.00 0.00 N ATOM 326 CA LEU A 23 -3.030 9.500 -5.836 1.00 0.00 C ATOM 327 C LEU A 23 -4.484 9.119 -6.124 1.00 0.00 C ATOM 328 O LEU A 23 -5.356 9.357 -5.312 1.00 0.00 O ATOM 329 CB LEU A 23 -2.509 10.530 -6.843 1.00 0.00 C ATOM 330 CG LEU A 23 -0.999 10.740 -6.619 1.00 0.00 C ATOM 331 CD1 LEU A 23 -0.519 11.951 -7.432 1.00 0.00 C ATOM 332 CD2 LEU A 23 -0.718 10.993 -5.131 1.00 0.00 C ATOM 0 H LEU A 23 -1.683 8.195 -6.829 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.986 9.930 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.693 10.186 -7.861 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.041 11.474 -6.724 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.468 9.844 -6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.549 12.097 -7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.706 11.775 -8.491 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.059 12.842 -7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.352 11.140 -4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.255 11.884 -4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.051 10.135 -4.547 1.00 0.00 H new ATOM 344 N LEU A 24 -4.767 8.501 -7.243 1.00 0.00 N ATOM 345 CA LEU A 24 -6.174 8.099 -7.490 1.00 0.00 C ATOM 346 C LEU A 24 -6.565 7.114 -6.406 1.00 0.00 C ATOM 347 O LEU A 24 -7.623 7.212 -5.842 1.00 0.00 O ATOM 348 CB LEU A 24 -6.353 7.456 -8.870 1.00 0.00 C ATOM 349 CG LEU A 24 -5.570 6.137 -8.979 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.492 4.950 -8.672 1.00 0.00 C ATOM 351 CD2 LEU A 24 -5.039 5.983 -10.407 1.00 0.00 C ATOM 0 H LEU A 24 -4.099 8.264 -7.977 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.810 8.984 -7.469 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.411 7.269 -9.052 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.014 8.147 -9.642 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.746 6.155 -8.265 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.928 4.021 -8.752 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.888 5.048 -7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.317 4.936 -9.385 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.483 5.049 -10.490 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.875 5.971 -11.107 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.381 6.819 -10.643 1.00 0.00 H new ATOM 363 N LYS A 25 -5.708 6.179 -6.079 1.00 0.00 N ATOM 364 CA LYS A 25 -6.058 5.223 -4.995 1.00 0.00 C ATOM 365 C LYS A 25 -6.570 6.049 -3.815 1.00 0.00 C ATOM 366 O LYS A 25 -7.573 5.739 -3.202 1.00 0.00 O ATOM 367 CB LYS A 25 -4.811 4.426 -4.593 1.00 0.00 C ATOM 368 CG LYS A 25 -4.590 3.283 -5.592 1.00 0.00 C ATOM 369 CD LYS A 25 -3.157 2.752 -5.472 1.00 0.00 C ATOM 370 CE LYS A 25 -3.030 1.447 -6.261 1.00 0.00 C ATOM 371 NZ LYS A 25 -1.595 1.054 -6.341 1.00 0.00 N ATOM 0 H LYS A 25 -4.795 6.040 -6.511 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.820 4.515 -5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.939 5.080 -4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.931 4.025 -3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.302 2.480 -5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.772 3.636 -6.607 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.451 3.490 -5.853 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.907 2.582 -4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.608 0.659 -5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.440 1.574 -7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.266 1.139 -7.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.029 1.679 -5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.486 0.070 -6.023 1.00 0.00 H new ATOM 385 N SER A 26 -5.892 7.126 -3.524 1.00 0.00 N ATOM 386 CA SER A 26 -6.317 8.026 -2.423 1.00 0.00 C ATOM 387 C SER A 26 -7.596 8.756 -2.852 1.00 0.00 C ATOM 388 O SER A 26 -8.006 9.720 -2.236 1.00 0.00 O ATOM 389 CB SER A 26 -5.210 9.060 -2.171 1.00 0.00 C ATOM 390 OG SER A 26 -5.314 9.550 -0.841 1.00 0.00 O ATOM 0 H SER A 26 -5.047 7.422 -4.014 1.00 0.00 H new ATOM 0 HA SER A 26 -6.501 7.451 -1.515 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.231 8.606 -2.327 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.297 9.882 -2.881 1.00 0.00 H new ATOM 0 HG SER A 26 -6.235 9.837 -0.669 1.00 0.00 H new ATOM 396 N LYS A 27 -8.208 8.331 -3.931 1.00 0.00 N ATOM 397 CA LYS A 27 -9.430 9.038 -4.416 1.00 0.00 C ATOM 398 C LYS A 27 -10.404 9.272 -3.258 1.00 0.00 C ATOM 399 O LYS A 27 -10.863 10.379 -3.059 1.00 0.00 O ATOM 400 CB LYS A 27 -10.120 8.239 -5.536 1.00 0.00 C ATOM 401 CG LYS A 27 -10.031 6.726 -5.277 1.00 0.00 C ATOM 402 CD LYS A 27 -11.336 6.051 -5.705 1.00 0.00 C ATOM 403 CE LYS A 27 -11.500 6.197 -7.220 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.760 5.528 -7.652 1.00 0.00 N ATOM 0 H LYS A 27 -7.915 7.531 -4.492 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.125 10.002 -4.822 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.166 8.537 -5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.655 8.474 -6.493 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.193 6.302 -5.830 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.843 6.539 -4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.323 4.997 -5.428 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.182 6.506 -5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.524 7.252 -7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.646 5.754 -7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.871 5.628 -8.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.720 4.519 -7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.570 5.970 -7.172 1.00 0.00 H new ATOM 418 N GLY A 28 -10.719 8.269 -2.476 1.00 0.00 N ATOM 419 CA GLY A 28 -11.648 8.506 -1.340 1.00 0.00 C ATOM 420 C GLY A 28 -12.596 7.330 -1.160 1.00 0.00 C ATOM 421 O GLY A 28 -13.535 7.408 -0.400 1.00 0.00 O ATOM 0 H GLY A 28 -10.377 7.313 -2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.077 8.662 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.221 9.416 -1.517 1.00 0.00 H new ATOM 425 N THR A 29 -12.388 6.244 -1.849 1.00 0.00 N ATOM 426 CA THR A 29 -13.321 5.104 -1.671 1.00 0.00 C ATOM 427 C THR A 29 -12.691 3.785 -2.144 1.00 0.00 C ATOM 428 O THR A 29 -11.914 3.750 -3.077 1.00 0.00 O ATOM 429 CB THR A 29 -14.590 5.387 -2.477 1.00 0.00 C ATOM 430 OG1 THR A 29 -14.381 6.530 -3.293 1.00 0.00 O ATOM 431 CG2 THR A 29 -15.774 5.641 -1.538 1.00 0.00 C ATOM 0 H THR A 29 -11.628 6.099 -2.514 1.00 0.00 H new ATOM 0 HA THR A 29 -13.553 4.999 -0.611 1.00 0.00 H new ATOM 0 HB THR A 29 -14.815 4.521 -3.100 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.191 6.714 -3.812 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.669 5.841 -2.127 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.939 4.762 -0.914 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.558 6.501 -0.904 1.00 0.00 H new ATOM 439 N CYS A 30 -13.069 2.696 -1.526 1.00 0.00 N ATOM 440 CA CYS A 30 -12.554 1.358 -1.947 1.00 0.00 C ATOM 441 C CYS A 30 -13.027 1.114 -3.381 1.00 0.00 C ATOM 442 O CYS A 30 -14.107 1.526 -3.754 1.00 0.00 O ATOM 443 CB CYS A 30 -13.134 0.270 -1.030 1.00 0.00 C ATOM 444 SG CYS A 30 -12.466 -1.349 -1.506 1.00 0.00 S ATOM 0 H CYS A 30 -13.719 2.676 -0.740 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.466 1.329 -1.885 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.885 0.486 0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.222 0.261 -1.102 1.00 0.00 H new ATOM 449 N GLN A 31 -12.244 0.467 -4.199 1.00 0.00 N ATOM 450 CA GLN A 31 -12.698 0.240 -5.601 1.00 0.00 C ATOM 451 C GLN A 31 -13.641 -0.961 -5.660 1.00 0.00 C ATOM 452 O GLN A 31 -14.334 -1.164 -6.637 1.00 0.00 O ATOM 453 CB GLN A 31 -11.499 0.000 -6.521 1.00 0.00 C ATOM 454 CG GLN A 31 -10.620 -1.132 -5.982 1.00 0.00 C ATOM 455 CD GLN A 31 -11.280 -2.482 -6.269 1.00 0.00 C ATOM 456 OE1 GLN A 31 -12.177 -2.574 -7.083 1.00 0.00 O ATOM 457 NE2 GLN A 31 -10.866 -3.544 -5.632 1.00 0.00 N ATOM 0 H GLN A 31 -11.325 0.091 -3.964 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.228 1.130 -5.939 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.848 -0.250 -7.523 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.911 0.914 -6.606 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.635 -1.092 -6.447 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.472 -1.010 -4.909 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.113 -3.467 -4.948 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.296 -4.450 -5.818 1.00 0.00 H new ATOM 466 N SER A 32 -13.680 -1.759 -4.626 1.00 0.00 N ATOM 467 CA SER A 32 -14.586 -2.945 -4.631 1.00 0.00 C ATOM 468 C SER A 32 -15.681 -2.763 -3.577 1.00 0.00 C ATOM 469 O SER A 32 -16.647 -3.499 -3.546 1.00 0.00 O ATOM 470 CB SER A 32 -13.781 -4.206 -4.315 1.00 0.00 C ATOM 471 OG SER A 32 -13.011 -4.569 -5.452 1.00 0.00 O ATOM 0 H SER A 32 -13.124 -1.641 -3.779 1.00 0.00 H new ATOM 0 HA SER A 32 -15.044 -3.042 -5.615 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.128 -4.030 -3.460 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.452 -5.020 -4.041 1.00 0.00 H new ATOM 0 HG SER A 32 -12.752 -5.512 -5.384 1.00 0.00 H new ATOM 477 N CYS A 33 -15.541 -1.791 -2.709 1.00 0.00 N ATOM 478 CA CYS A 33 -16.579 -1.573 -1.657 1.00 0.00 C ATOM 479 C CYS A 33 -17.063 -0.121 -1.678 1.00 0.00 C ATOM 480 O CYS A 33 -18.136 0.183 -1.197 1.00 0.00 O ATOM 481 CB CYS A 33 -15.992 -1.885 -0.277 1.00 0.00 C ATOM 482 SG CYS A 33 -15.243 -3.527 -0.296 1.00 0.00 S ATOM 0 H CYS A 33 -14.755 -1.142 -2.684 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.421 -2.235 -1.859 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -15.246 -1.137 -0.010 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.774 -1.840 0.481 1.00 0.00 H new ATOM 487 N GLY A 34 -16.288 0.786 -2.212 1.00 0.00 N ATOM 488 CA GLY A 34 -16.738 2.208 -2.223 1.00 0.00 C ATOM 489 C GLY A 34 -17.132 2.599 -0.798 1.00 0.00 C ATOM 490 O GLY A 34 -18.290 2.810 -0.495 1.00 0.00 O ATOM 0 H GLY A 34 -15.377 0.608 -2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.941 2.856 -2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.584 2.333 -2.899 1.00 0.00 H new ATOM 494 N VAL A 35 -16.172 2.651 0.084 1.00 0.00 N ATOM 495 CA VAL A 35 -16.467 2.977 1.511 1.00 0.00 C ATOM 496 C VAL A 35 -16.082 4.423 1.859 1.00 0.00 C ATOM 497 O VAL A 35 -16.874 5.146 2.426 1.00 0.00 O ATOM 498 CB VAL A 35 -15.683 2.006 2.398 1.00 0.00 C ATOM 499 CG1 VAL A 35 -16.069 0.567 2.029 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.182 2.210 2.173 1.00 0.00 C ATOM 0 H VAL A 35 -15.188 2.481 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.540 2.878 1.678 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.918 2.190 3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.515 -0.131 2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.138 0.425 2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.829 0.383 0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.622 1.519 2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.942 2.021 1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.912 3.235 2.428 1.00 0.00 H new ATOM 510 N THR A 36 -14.883 4.854 1.547 1.00 0.00 N ATOM 511 CA THR A 36 -14.479 6.250 1.895 1.00 0.00 C ATOM 512 C THR A 36 -12.962 6.379 1.760 1.00 0.00 C ATOM 513 O THR A 36 -12.290 5.455 1.356 1.00 0.00 O ATOM 514 CB THR A 36 -14.877 6.579 3.341 1.00 0.00 C ATOM 515 OG1 THR A 36 -14.210 7.765 3.747 1.00 0.00 O ATOM 516 CG2 THR A 36 -14.477 5.430 4.271 1.00 0.00 C ATOM 0 H THR A 36 -14.171 4.302 1.069 1.00 0.00 H new ATOM 0 HA THR A 36 -14.983 6.942 1.220 1.00 0.00 H new ATOM 0 HB THR A 36 -15.957 6.720 3.394 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.615 8.537 3.300 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.764 5.673 5.294 1.00 0.00 H new ATOM 0 HG22 THR A 36 -14.984 4.517 3.960 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.398 5.281 4.222 1.00 0.00 H new ATOM 524 N GLY A 37 -12.423 7.523 2.090 1.00 0.00 N ATOM 525 CA GLY A 37 -10.952 7.728 1.977 1.00 0.00 C ATOM 526 C GLY A 37 -10.261 7.347 3.283 1.00 0.00 C ATOM 527 O GLY A 37 -9.489 6.414 3.334 1.00 0.00 O ATOM 0 H GLY A 37 -12.944 8.329 2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.556 7.126 1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.741 8.770 1.737 1.00 0.00 H new ATOM 531 N PRO A 38 -10.516 8.071 4.335 1.00 0.00 N ATOM 532 CA PRO A 38 -9.890 7.787 5.640 1.00 0.00 C ATOM 533 C PRO A 38 -9.885 6.294 5.954 1.00 0.00 C ATOM 534 O PRO A 38 -10.895 5.621 5.887 1.00 0.00 O ATOM 535 CB PRO A 38 -10.729 8.555 6.664 1.00 0.00 C ATOM 536 CG PRO A 38 -11.790 9.292 5.891 1.00 0.00 C ATOM 537 CD PRO A 38 -11.411 9.225 4.407 1.00 0.00 C ATOM 0 HA PRO A 38 -8.844 8.094 5.651 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.179 7.873 7.385 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.108 9.251 7.229 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.768 8.841 6.057 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.856 10.328 6.223 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.289 9.092 3.774 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.916 10.138 4.078 1.00 0.00 H new ATOM 545 N ASN A 39 -8.748 5.788 6.298 1.00 0.00 N ATOM 546 CA ASN A 39 -8.621 4.344 6.631 1.00 0.00 C ATOM 547 C ASN A 39 -8.627 3.496 5.356 1.00 0.00 C ATOM 548 O ASN A 39 -8.964 2.329 5.388 1.00 0.00 O ATOM 549 CB ASN A 39 -9.784 3.912 7.539 1.00 0.00 C ATOM 550 CG ASN A 39 -9.279 2.916 8.587 1.00 0.00 C ATOM 551 OD1 ASN A 39 -9.389 3.156 9.773 1.00 0.00 O ATOM 552 ND2 ASN A 39 -8.727 1.800 8.196 1.00 0.00 N ATOM 0 H ASN A 39 -7.880 6.319 6.366 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.676 4.192 7.152 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.217 4.783 8.030 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.574 3.457 6.942 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.388 1.130 8.886 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.635 1.598 7.200 1.00 0.00 H new ATOM 559 N LEU A 40 -8.243 4.048 4.235 1.00 0.00 N ATOM 560 CA LEU A 40 -8.224 3.223 2.992 1.00 0.00 C ATOM 561 C LEU A 40 -6.908 2.441 2.955 1.00 0.00 C ATOM 562 O LEU A 40 -6.002 2.690 3.721 1.00 0.00 O ATOM 563 CB LEU A 40 -8.320 4.109 1.737 1.00 0.00 C ATOM 564 CG LEU A 40 -9.781 4.384 1.331 1.00 0.00 C ATOM 565 CD1 LEU A 40 -9.782 5.045 -0.050 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.585 3.078 1.254 1.00 0.00 C ATOM 0 H LEU A 40 -7.946 5.018 4.126 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.080 2.548 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.812 5.055 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.800 3.624 0.911 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.241 5.032 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.808 5.248 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.225 5.981 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.313 4.378 -0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.613 3.300 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.135 2.417 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.579 2.589 2.228 1.00 0.00 H new ATOM 578 N TRP A 41 -6.804 1.498 2.067 1.00 0.00 N ATOM 579 CA TRP A 41 -5.552 0.686 1.967 1.00 0.00 C ATOM 580 C TRP A 41 -5.465 0.090 0.567 1.00 0.00 C ATOM 581 O TRP A 41 -5.992 -0.971 0.300 1.00 0.00 O ATOM 582 CB TRP A 41 -5.571 -0.456 2.992 1.00 0.00 C ATOM 583 CG TRP A 41 -5.767 0.091 4.368 1.00 0.00 C ATOM 584 CD1 TRP A 41 -6.943 0.530 4.863 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.789 0.253 5.438 1.00 0.00 C ATOM 586 NE1 TRP A 41 -6.751 0.963 6.162 1.00 0.00 N ATOM 587 CE2 TRP A 41 -5.441 0.810 6.564 1.00 0.00 C ATOM 588 CE3 TRP A 41 -3.413 -0.022 5.540 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -4.756 1.082 7.747 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -2.721 0.251 6.733 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.391 0.802 7.832 1.00 0.00 C ATOM 0 H TRP A 41 -7.534 1.249 1.399 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.694 1.328 2.166 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.372 -1.156 2.753 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.636 -1.014 2.944 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.883 0.541 4.331 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.489 1.349 6.751 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.886 -0.445 4.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.278 1.506 8.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.665 0.034 6.802 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.852 1.010 8.745 1.00 0.00 H new ATOM 602 N ALA A 42 -4.825 0.771 -0.338 1.00 0.00 N ATOM 603 CA ALA A 42 -4.729 0.251 -1.726 1.00 0.00 C ATOM 604 C ALA A 42 -3.513 -0.658 -1.885 1.00 0.00 C ATOM 605 O ALA A 42 -2.448 -0.399 -1.362 1.00 0.00 O ATOM 606 CB ALA A 42 -4.608 1.429 -2.688 1.00 0.00 C ATOM 0 H ALA A 42 -4.364 1.666 -0.176 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.624 -0.330 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.537 1.058 -3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.487 2.067 -2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.714 2.005 -2.448 1.00 0.00 H new ATOM 612 N CYS A 43 -3.671 -1.719 -2.630 1.00 0.00 N ATOM 613 CA CYS A 43 -2.539 -2.653 -2.865 1.00 0.00 C ATOM 614 C CYS A 43 -1.401 -1.886 -3.539 1.00 0.00 C ATOM 615 O CYS A 43 -1.629 -0.908 -4.222 1.00 0.00 O ATOM 616 CB CYS A 43 -3.009 -3.787 -3.775 1.00 0.00 C ATOM 617 SG CYS A 43 -1.998 -5.257 -3.485 1.00 0.00 S ATOM 0 H CYS A 43 -4.544 -1.978 -3.088 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.190 -3.070 -1.921 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.058 -4.011 -3.581 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.935 -3.483 -4.819 1.00 0.00 H new ATOM 622 N LEU A 44 -0.179 -2.304 -3.345 1.00 0.00 N ATOM 623 CA LEU A 44 0.959 -1.569 -3.970 1.00 0.00 C ATOM 624 C LEU A 44 1.943 -2.543 -4.622 1.00 0.00 C ATOM 625 O LEU A 44 3.138 -2.423 -4.453 1.00 0.00 O ATOM 626 CB LEU A 44 1.678 -0.759 -2.889 1.00 0.00 C ATOM 627 CG LEU A 44 2.636 0.252 -3.538 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.864 1.498 -3.980 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.708 0.661 -2.525 1.00 0.00 C ATOM 0 H LEU A 44 0.080 -3.116 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 44 0.572 -0.906 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.949 -0.236 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.233 -1.428 -2.231 1.00 0.00 H new ATOM 0 HG LEU A 44 3.103 -0.210 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.552 2.208 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.099 1.215 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.391 1.959 -3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.388 1.378 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.233 1.117 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.268 -0.220 -2.212 1.00 0.00 H new ATOM 641 N GLN A 45 1.467 -3.502 -5.376 1.00 0.00 N ATOM 642 CA GLN A 45 2.413 -4.449 -6.036 1.00 0.00 C ATOM 643 C GLN A 45 2.748 -3.945 -7.441 1.00 0.00 C ATOM 644 O GLN A 45 1.944 -3.320 -8.103 1.00 0.00 O ATOM 645 CB GLN A 45 1.805 -5.850 -6.122 1.00 0.00 C ATOM 646 CG GLN A 45 0.817 -6.050 -4.980 1.00 0.00 C ATOM 647 CD GLN A 45 1.585 -6.182 -3.664 1.00 0.00 C ATOM 648 OE1 GLN A 45 1.688 -5.236 -2.910 1.00 0.00 O ATOM 649 NE2 GLN A 45 2.133 -7.325 -3.355 1.00 0.00 N ATOM 0 H GLN A 45 0.478 -3.668 -5.561 1.00 0.00 H new ATOM 0 HA GLN A 45 3.324 -4.503 -5.439 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.301 -5.980 -7.079 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.592 -6.603 -6.071 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.127 -5.207 -4.929 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.217 -6.943 -5.155 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.047 -8.120 -3.988 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.648 -7.424 -2.480 1.00 0.00 H new ATOM 658 N VAL A 46 3.942 -4.208 -7.885 1.00 0.00 N ATOM 659 CA VAL A 46 4.382 -3.753 -9.238 1.00 0.00 C ATOM 660 C VAL A 46 3.262 -3.902 -10.274 1.00 0.00 C ATOM 661 O VAL A 46 3.310 -3.292 -11.324 1.00 0.00 O ATOM 662 CB VAL A 46 5.584 -4.592 -9.686 1.00 0.00 C ATOM 663 CG1 VAL A 46 5.123 -6.009 -10.039 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.225 -3.943 -10.915 1.00 0.00 C ATOM 0 H VAL A 46 4.646 -4.728 -7.361 1.00 0.00 H new ATOM 0 HA VAL A 46 4.650 -2.699 -9.169 1.00 0.00 H new ATOM 0 HB VAL A 46 6.312 -4.642 -8.876 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.981 -6.602 -10.357 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.666 -6.472 -9.164 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.394 -5.963 -10.848 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.080 -4.538 -11.236 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.495 -3.893 -11.722 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.557 -2.936 -10.663 1.00 0.00 H new ATOM 674 N ALA A 47 2.265 -4.710 -10.020 1.00 0.00 N ATOM 675 CA ALA A 47 1.185 -4.872 -11.042 1.00 0.00 C ATOM 676 C ALA A 47 -0.172 -5.132 -10.383 1.00 0.00 C ATOM 677 O ALA A 47 -0.908 -6.005 -10.801 1.00 0.00 O ATOM 678 CB ALA A 47 1.533 -6.050 -11.953 1.00 0.00 C ATOM 0 H ALA A 47 2.151 -5.256 -9.166 1.00 0.00 H new ATOM 0 HA ALA A 47 1.115 -3.949 -11.617 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.750 -6.175 -12.701 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.483 -5.857 -12.451 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.614 -6.959 -11.357 1.00 0.00 H new ATOM 684 N CYS A 48 -0.527 -4.382 -9.374 1.00 0.00 N ATOM 685 CA CYS A 48 -1.854 -4.597 -8.724 1.00 0.00 C ATOM 686 C CYS A 48 -2.510 -3.251 -8.412 1.00 0.00 C ATOM 687 O CYS A 48 -2.450 -2.770 -7.298 1.00 0.00 O ATOM 688 CB CYS A 48 -1.673 -5.369 -7.422 1.00 0.00 C ATOM 689 SG CYS A 48 -3.279 -6.015 -6.898 1.00 0.00 S ATOM 0 H CYS A 48 0.040 -3.634 -8.973 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.488 -5.164 -9.406 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.966 -6.186 -7.563 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.259 -4.718 -6.652 1.00 0.00 H new ATOM 694 N PRO A 49 -3.143 -2.650 -9.384 1.00 0.00 N ATOM 695 CA PRO A 49 -3.830 -1.347 -9.200 1.00 0.00 C ATOM 696 C PRO A 49 -5.266 -1.522 -8.688 1.00 0.00 C ATOM 697 O PRO A 49 -6.169 -1.826 -9.440 1.00 0.00 O ATOM 698 CB PRO A 49 -3.829 -0.765 -10.613 1.00 0.00 C ATOM 699 CG PRO A 49 -3.890 -1.954 -11.524 1.00 0.00 C ATOM 700 CD PRO A 49 -3.270 -3.138 -10.765 1.00 0.00 C ATOM 0 HA PRO A 49 -3.341 -0.714 -8.459 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.682 -0.105 -10.768 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.932 -0.174 -10.795 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.921 -2.173 -11.803 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.344 -1.760 -12.447 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.905 -4.023 -10.819 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.301 -3.415 -11.181 1.00 0.00 H new ATOM 708 N TYR A 50 -5.475 -1.322 -7.414 1.00 0.00 N ATOM 709 CA TYR A 50 -6.840 -1.465 -6.833 1.00 0.00 C ATOM 710 C TYR A 50 -6.825 -0.874 -5.424 1.00 0.00 C ATOM 711 O TYR A 50 -5.930 -1.142 -4.648 1.00 0.00 O ATOM 712 CB TYR A 50 -7.219 -2.948 -6.752 1.00 0.00 C ATOM 713 CG TYR A 50 -7.500 -3.484 -8.137 1.00 0.00 C ATOM 714 CD1 TYR A 50 -6.596 -4.365 -8.743 1.00 0.00 C ATOM 715 CD2 TYR A 50 -8.663 -3.100 -8.815 1.00 0.00 C ATOM 716 CE1 TYR A 50 -6.855 -4.861 -10.026 1.00 0.00 C ATOM 717 CE2 TYR A 50 -8.922 -3.595 -10.098 1.00 0.00 C ATOM 718 CZ TYR A 50 -8.018 -4.477 -10.703 1.00 0.00 C ATOM 719 OH TYR A 50 -8.272 -4.965 -11.969 1.00 0.00 O ATOM 0 H TYR A 50 -4.750 -1.063 -6.745 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.566 -0.946 -7.459 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.410 -3.514 -6.291 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.097 -3.074 -6.119 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.699 -4.662 -8.220 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -9.361 -2.421 -8.348 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.157 -5.540 -10.493 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.819 -3.297 -10.621 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.121 -4.601 -12.296 1.00 0.00 H new ATOM 729 N VAL A 51 -7.795 -0.067 -5.080 1.00 0.00 N ATOM 730 CA VAL A 51 -7.804 0.534 -3.714 1.00 0.00 C ATOM 731 C VAL A 51 -8.803 -0.210 -2.823 1.00 0.00 C ATOM 732 O VAL A 51 -10.001 -0.097 -2.974 1.00 0.00 O ATOM 733 CB VAL A 51 -8.151 2.023 -3.811 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.325 2.226 -4.773 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.511 2.572 -2.425 1.00 0.00 C ATOM 0 H VAL A 51 -8.575 0.200 -5.681 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.815 0.440 -3.265 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.283 2.562 -4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.565 3.287 -4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.053 1.856 -5.762 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.194 1.679 -4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.756 3.631 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.370 2.030 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.663 2.446 -1.752 1.00 0.00 H new ATOM 745 N GLY A 52 -8.303 -0.991 -1.901 1.00 0.00 N ATOM 746 CA GLY A 52 -9.200 -1.776 -1.004 1.00 0.00 C ATOM 747 C GLY A 52 -9.577 -0.968 0.243 1.00 0.00 C ATOM 748 O GLY A 52 -9.256 0.194 0.370 1.00 0.00 O ATOM 0 H GLY A 52 -7.306 -1.119 -1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.103 -2.059 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.704 -2.700 -0.706 1.00 0.00 H new ATOM 752 N CYS A 53 -10.274 -1.593 1.159 1.00 0.00 N ATOM 753 CA CYS A 53 -10.708 -0.900 2.409 1.00 0.00 C ATOM 754 C CYS A 53 -9.796 -1.257 3.565 1.00 0.00 C ATOM 755 O CYS A 53 -8.977 -2.152 3.504 1.00 0.00 O ATOM 756 CB CYS A 53 -12.102 -1.387 2.839 1.00 0.00 C ATOM 757 SG CYS A 53 -12.462 -2.984 2.067 1.00 0.00 S ATOM 0 H CYS A 53 -10.564 -2.568 1.091 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.693 0.168 2.193 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -12.146 -1.480 3.924 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.857 -0.656 2.551 1.00 0.00 H new ATOM 762 N GLY A 54 -10.034 -0.595 4.650 1.00 0.00 N ATOM 763 CA GLY A 54 -9.322 -0.884 5.911 1.00 0.00 C ATOM 764 C GLY A 54 -10.418 -1.341 6.853 1.00 0.00 C ATOM 765 O GLY A 54 -11.573 -1.066 6.602 1.00 0.00 O ATOM 0 H GLY A 54 -10.716 0.160 4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.565 -1.656 5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.810 -0.000 6.292 1.00 0.00 H new ATOM 769 N GLU A 55 -10.114 -2.037 7.906 1.00 0.00 N ATOM 770 CA GLU A 55 -11.209 -2.489 8.821 1.00 0.00 C ATOM 771 C GLU A 55 -12.389 -1.541 8.697 1.00 0.00 C ATOM 772 O GLU A 55 -13.533 -1.946 8.711 1.00 0.00 O ATOM 773 CB GLU A 55 -10.718 -2.478 10.258 1.00 0.00 C ATOM 774 CG GLU A 55 -10.482 -1.035 10.715 1.00 0.00 C ATOM 775 CD GLU A 55 -9.640 -1.036 11.992 1.00 0.00 C ATOM 776 OE1 GLU A 55 -9.311 -2.112 12.461 1.00 0.00 O ATOM 777 OE2 GLU A 55 -9.340 0.041 12.481 1.00 0.00 O ATOM 0 H GLU A 55 -9.170 -2.313 8.177 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.510 -3.500 8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.451 -2.959 10.906 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.794 -3.051 10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.974 -0.473 9.932 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.436 -0.539 10.896 1.00 0.00 H new ATOM 784 N SER A 56 -12.096 -0.284 8.545 1.00 0.00 N ATOM 785 CA SER A 56 -13.168 0.730 8.373 1.00 0.00 C ATOM 786 C SER A 56 -14.373 0.058 7.717 1.00 0.00 C ATOM 787 O SER A 56 -15.505 0.254 8.116 1.00 0.00 O ATOM 788 CB SER A 56 -12.639 1.843 7.466 1.00 0.00 C ATOM 789 OG SER A 56 -12.382 3.002 8.247 1.00 0.00 O ATOM 0 H SER A 56 -11.147 0.089 8.532 1.00 0.00 H new ATOM 0 HA SER A 56 -13.464 1.149 9.335 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.727 1.518 6.966 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.366 2.069 6.687 1.00 0.00 H new ATOM 0 HG SER A 56 -12.662 3.799 7.751 1.00 0.00 H new ATOM 795 N PHE A 57 -14.126 -0.757 6.722 1.00 0.00 N ATOM 796 CA PHE A 57 -15.246 -1.476 6.044 1.00 0.00 C ATOM 797 C PHE A 57 -15.052 -2.979 6.204 1.00 0.00 C ATOM 798 O PHE A 57 -15.482 -3.580 7.169 1.00 0.00 O ATOM 799 CB PHE A 57 -15.261 -1.146 4.558 1.00 0.00 C ATOM 800 CG PHE A 57 -16.379 -1.916 3.892 1.00 0.00 C ATOM 801 CD1 PHE A 57 -17.710 -1.630 4.215 1.00 0.00 C ATOM 802 CD2 PHE A 57 -16.085 -2.917 2.956 1.00 0.00 C ATOM 803 CE1 PHE A 57 -18.749 -2.343 3.603 1.00 0.00 C ATOM 804 CE2 PHE A 57 -17.124 -3.629 2.344 1.00 0.00 C ATOM 805 CZ PHE A 57 -18.455 -3.342 2.668 1.00 0.00 C ATOM 0 H PHE A 57 -13.197 -0.955 6.351 1.00 0.00 H new ATOM 0 HA PHE A 57 -16.187 -1.163 6.497 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.403 -0.075 4.412 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.304 -1.405 4.105 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -17.937 -0.859 4.937 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.058 -3.139 2.707 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -19.776 -2.122 3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.898 -4.400 1.622 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.256 -3.892 2.196 1.00 0.00 H new ATOM 815 N ALA A 58 -14.398 -3.582 5.253 1.00 0.00 N ATOM 816 CA ALA A 58 -14.147 -5.053 5.312 1.00 0.00 C ATOM 817 C ALA A 58 -12.639 -5.294 5.291 1.00 0.00 C ATOM 818 O ALA A 58 -12.173 -6.415 5.327 1.00 0.00 O ATOM 819 CB ALA A 58 -14.791 -5.729 4.098 1.00 0.00 C ATOM 0 H ALA A 58 -14.022 -3.116 4.427 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.577 -5.469 6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.608 -6.803 4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.865 -5.543 4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.359 -5.323 3.184 1.00 0.00 H new ATOM 825 N ASP A 59 -11.878 -4.239 5.234 1.00 0.00 N ATOM 826 CA ASP A 59 -10.397 -4.373 5.211 1.00 0.00 C ATOM 827 C ASP A 59 -9.965 -5.307 4.081 1.00 0.00 C ATOM 828 O ASP A 59 -9.342 -6.322 4.320 1.00 0.00 O ATOM 829 CB ASP A 59 -9.900 -4.934 6.549 1.00 0.00 C ATOM 830 CG ASP A 59 -8.397 -5.205 6.470 1.00 0.00 C ATOM 831 OD1 ASP A 59 -8.029 -6.347 6.249 1.00 0.00 O ATOM 832 OD2 ASP A 59 -7.638 -4.265 6.638 1.00 0.00 O ATOM 0 H ASP A 59 -12.223 -3.280 5.202 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.964 -3.386 5.046 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.110 -4.226 7.351 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.433 -5.854 6.789 1.00 0.00 H new ATOM 837 N HIS A 60 -10.255 -4.973 2.847 1.00 0.00 N ATOM 838 CA HIS A 60 -9.801 -5.863 1.740 1.00 0.00 C ATOM 839 C HIS A 60 -8.320 -6.132 1.977 1.00 0.00 C ATOM 840 O HIS A 60 -7.763 -7.098 1.516 1.00 0.00 O ATOM 841 CB HIS A 60 -9.987 -5.170 0.382 1.00 0.00 C ATOM 842 CG HIS A 60 -11.193 -5.727 -0.328 1.00 0.00 C ATOM 843 ND1 HIS A 60 -12.234 -4.921 -0.797 1.00 0.00 N ATOM 844 CD2 HIS A 60 -11.529 -7.013 -0.675 1.00 0.00 C ATOM 845 CE1 HIS A 60 -13.127 -5.738 -1.392 1.00 0.00 C ATOM 846 NE2 HIS A 60 -12.744 -7.013 -1.343 1.00 0.00 N ATOM 0 H HIS A 60 -10.774 -4.142 2.565 1.00 0.00 H new ATOM 0 HA HIS A 60 -10.380 -6.786 1.725 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.106 -4.096 0.527 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.097 -5.312 -0.232 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.937 -7.890 -0.460 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -14.043 -5.399 -1.853 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -13.241 -7.821 -1.719 1.00 0.00 H new ATOM 854 N SER A 61 -7.688 -5.268 2.718 1.00 0.00 N ATOM 855 CA SER A 61 -6.243 -5.447 3.024 1.00 0.00 C ATOM 856 C SER A 61 -5.981 -6.894 3.440 1.00 0.00 C ATOM 857 O SER A 61 -4.927 -7.441 3.185 1.00 0.00 O ATOM 858 CB SER A 61 -5.869 -4.509 4.174 1.00 0.00 C ATOM 859 OG SER A 61 -4.492 -4.168 4.075 1.00 0.00 O ATOM 0 H SER A 61 -8.115 -4.438 3.129 1.00 0.00 H new ATOM 0 HA SER A 61 -5.645 -5.217 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.482 -3.608 4.138 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.068 -4.991 5.131 1.00 0.00 H new ATOM 0 HG SER A 61 -4.250 -3.566 4.810 1.00 0.00 H new ATOM 865 N THR A 62 -6.929 -7.519 4.085 1.00 0.00 N ATOM 866 CA THR A 62 -6.718 -8.922 4.518 1.00 0.00 C ATOM 867 C THR A 62 -7.165 -9.884 3.423 1.00 0.00 C ATOM 868 O THR A 62 -6.370 -10.605 2.863 1.00 0.00 O ATOM 869 CB THR A 62 -7.531 -9.202 5.777 1.00 0.00 C ATOM 870 OG1 THR A 62 -8.773 -8.516 5.703 1.00 0.00 O ATOM 871 CG2 THR A 62 -6.756 -8.740 7.014 1.00 0.00 C ATOM 0 H THR A 62 -7.835 -7.118 4.328 1.00 0.00 H new ATOM 0 HA THR A 62 -5.657 -9.066 4.720 1.00 0.00 H new ATOM 0 HB THR A 62 -7.714 -10.274 5.854 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.708 -7.668 6.190 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.344 -8.944 7.909 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.809 -9.277 7.072 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.562 -7.670 6.943 1.00 0.00 H new ATOM 879 N ILE A 63 -8.439 -9.917 3.131 1.00 0.00 N ATOM 880 CA ILE A 63 -8.921 -10.859 2.086 1.00 0.00 C ATOM 881 C ILE A 63 -8.138 -10.622 0.796 1.00 0.00 C ATOM 882 O ILE A 63 -7.949 -11.515 -0.003 1.00 0.00 O ATOM 883 CB ILE A 63 -10.425 -10.682 1.815 1.00 0.00 C ATOM 884 CG1 ILE A 63 -11.010 -9.635 2.763 1.00 0.00 C ATOM 885 CG2 ILE A 63 -11.149 -12.015 2.035 1.00 0.00 C ATOM 886 CD1 ILE A 63 -12.373 -9.176 2.242 1.00 0.00 C ATOM 0 H ILE A 63 -9.157 -9.338 3.567 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.762 -11.876 2.444 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.559 -10.353 0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -11.114 -10.054 3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.334 -8.784 2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -12.214 -11.887 1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.745 -12.765 1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.003 -12.343 3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.789 -8.430 2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -12.255 -8.740 1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -13.047 -10.030 2.186 1.00 0.00 H new ATOM 898 N HIS A 64 -7.682 -9.420 0.594 1.00 0.00 N ATOM 899 CA HIS A 64 -6.908 -9.110 -0.642 1.00 0.00 C ATOM 900 C HIS A 64 -5.500 -9.687 -0.522 1.00 0.00 C ATOM 901 O HIS A 64 -4.994 -10.298 -1.443 1.00 0.00 O ATOM 902 CB HIS A 64 -6.815 -7.597 -0.843 1.00 0.00 C ATOM 903 CG HIS A 64 -6.166 -7.328 -2.168 1.00 0.00 C ATOM 904 ND1 HIS A 64 -6.836 -6.714 -3.214 1.00 0.00 N ATOM 905 CD2 HIS A 64 -4.910 -7.609 -2.637 1.00 0.00 C ATOM 906 CE1 HIS A 64 -5.985 -6.649 -4.254 1.00 0.00 C ATOM 907 NE2 HIS A 64 -4.799 -7.183 -3.955 1.00 0.00 N ATOM 0 H HIS A 64 -7.811 -8.635 1.232 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.419 -9.554 -1.496 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.808 -7.150 -0.811 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.235 -7.144 -0.039 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.797 -6.374 -3.198 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.126 -8.088 -2.069 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.231 -6.218 -5.213 1.00 0.00 H new ATOM 915 N ALA A 65 -4.865 -9.529 0.608 1.00 0.00 N ATOM 916 CA ALA A 65 -3.502 -10.112 0.759 1.00 0.00 C ATOM 917 C ALA A 65 -3.696 -11.609 0.927 1.00 0.00 C ATOM 918 O ALA A 65 -2.818 -12.412 0.719 1.00 0.00 O ATOM 919 CB ALA A 65 -2.818 -9.530 1.998 1.00 0.00 C ATOM 0 H ALA A 65 -5.224 -9.029 1.421 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.875 -9.887 -0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.822 -9.962 2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.735 -8.448 1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.408 -9.765 2.884 1.00 0.00 H new ATOM 925 N GLN A 66 -4.878 -11.954 1.316 1.00 0.00 N ATOM 926 CA GLN A 66 -5.265 -13.364 1.538 1.00 0.00 C ATOM 927 C GLN A 66 -5.712 -13.999 0.217 1.00 0.00 C ATOM 928 O GLN A 66 -5.589 -15.190 0.011 1.00 0.00 O ATOM 929 CB GLN A 66 -6.443 -13.315 2.502 1.00 0.00 C ATOM 930 CG GLN A 66 -7.138 -14.669 2.622 1.00 0.00 C ATOM 931 CD GLN A 66 -6.332 -15.583 3.548 1.00 0.00 C ATOM 932 OE1 GLN A 66 -6.321 -15.394 4.747 1.00 0.00 O ATOM 933 NE2 GLN A 66 -5.654 -16.573 3.037 1.00 0.00 N ATOM 0 H GLN A 66 -5.627 -11.286 1.498 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.436 -13.953 1.929 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.095 -12.998 3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.160 -12.568 2.161 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.147 -14.537 3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.235 -15.127 1.638 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.664 -16.731 2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.114 -17.189 3.645 1.00 0.00 H new ATOM 942 N ALA A 67 -6.265 -13.209 -0.662 1.00 0.00 N ATOM 943 CA ALA A 67 -6.769 -13.749 -1.955 1.00 0.00 C ATOM 944 C ALA A 67 -5.660 -13.742 -3.004 1.00 0.00 C ATOM 945 O ALA A 67 -5.542 -14.649 -3.804 1.00 0.00 O ATOM 946 CB ALA A 67 -7.934 -12.883 -2.441 1.00 0.00 C ATOM 0 H ALA A 67 -6.390 -12.204 -0.538 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.103 -14.776 -1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.307 -13.273 -3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.734 -12.900 -1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.591 -11.858 -2.581 1.00 0.00 H new ATOM 952 N LYS A 68 -4.863 -12.709 -3.022 1.00 0.00 N ATOM 953 CA LYS A 68 -3.773 -12.616 -4.036 1.00 0.00 C ATOM 954 C LYS A 68 -2.414 -12.751 -3.355 1.00 0.00 C ATOM 955 O LYS A 68 -1.378 -12.657 -3.984 1.00 0.00 O ATOM 956 CB LYS A 68 -3.865 -11.264 -4.730 1.00 0.00 C ATOM 957 CG LYS A 68 -5.231 -11.143 -5.433 1.00 0.00 C ATOM 958 CD LYS A 68 -6.144 -10.186 -4.658 1.00 0.00 C ATOM 959 CE LYS A 68 -7.208 -9.615 -5.599 1.00 0.00 C ATOM 960 NZ LYS A 68 -6.552 -8.758 -6.627 1.00 0.00 N ATOM 0 H LYS A 68 -4.920 -11.922 -2.376 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.881 -13.419 -4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.745 -10.461 -4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.059 -11.160 -5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.093 -10.780 -6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.699 -12.125 -5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.620 -10.712 -3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.556 -9.377 -4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.756 -10.425 -6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.934 -9.032 -5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.158 -7.938 -6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.633 -8.428 -6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.407 -9.309 -7.497 1.00 0.00 H new ATOM 974 N LYS A 69 -2.418 -12.977 -2.078 1.00 0.00 N ATOM 975 CA LYS A 69 -1.140 -13.135 -1.328 1.00 0.00 C ATOM 976 C LYS A 69 -0.289 -11.861 -1.433 1.00 0.00 C ATOM 977 O LYS A 69 0.883 -11.869 -1.118 1.00 0.00 O ATOM 978 CB LYS A 69 -0.357 -14.335 -1.884 1.00 0.00 C ATOM 979 CG LYS A 69 -0.744 -15.610 -1.121 1.00 0.00 C ATOM 980 CD LYS A 69 -2.273 -15.739 -1.058 1.00 0.00 C ATOM 981 CE LYS A 69 -2.660 -17.216 -0.938 1.00 0.00 C ATOM 982 NZ LYS A 69 -1.974 -17.814 0.244 1.00 0.00 N ATOM 0 H LYS A 69 -3.261 -13.061 -1.510 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.372 -13.309 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.569 -14.458 -2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.714 -14.156 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.317 -16.483 -1.614 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.331 -15.580 -0.113 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.660 -15.181 -0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.722 -15.307 -1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.741 -17.313 -0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.379 -17.752 -1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.451 -18.699 0.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.982 -18.014 0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.011 -17.147 1.041 1.00 0.00 H new ATOM 996 N HIS A 70 -0.866 -10.758 -1.835 1.00 0.00 N ATOM 997 CA HIS A 70 -0.066 -9.496 -1.903 1.00 0.00 C ATOM 998 C HIS A 70 0.138 -9.007 -0.468 1.00 0.00 C ATOM 999 O HIS A 70 -0.808 -8.856 0.279 1.00 0.00 O ATOM 1000 CB HIS A 70 -0.815 -8.444 -2.726 1.00 0.00 C ATOM 1001 CG HIS A 70 -0.929 -8.923 -4.147 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -1.963 -8.526 -4.981 1.00 0.00 N ATOM 1003 CD2 HIS A 70 -0.142 -9.764 -4.899 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -1.773 -9.121 -6.174 1.00 0.00 C ATOM 1005 NE2 HIS A 70 -0.680 -9.884 -6.174 1.00 0.00 N ATOM 0 H HIS A 70 -1.843 -10.675 -2.116 1.00 0.00 H new ATOM 0 HA HIS A 70 0.896 -9.672 -2.385 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.806 -8.273 -2.306 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.286 -7.492 -2.691 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.755 -10.255 -4.552 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.425 -8.996 -7.025 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.315 -10.439 -6.948 1.00 0.00 H new ATOM 1013 N ASN A 71 1.360 -8.798 -0.052 1.00 0.00 N ATOM 1014 CA ASN A 71 1.596 -8.371 1.356 1.00 0.00 C ATOM 1015 C ASN A 71 1.666 -6.847 1.472 1.00 0.00 C ATOM 1016 O ASN A 71 1.159 -6.269 2.411 1.00 0.00 O ATOM 1017 CB ASN A 71 2.914 -8.977 1.840 1.00 0.00 C ATOM 1018 CG ASN A 71 3.911 -9.030 0.680 1.00 0.00 C ATOM 1019 OD1 ASN A 71 4.278 -8.009 0.134 1.00 0.00 O ATOM 1020 ND2 ASN A 71 4.366 -10.185 0.279 1.00 0.00 N ATOM 0 H ASN A 71 2.199 -8.904 -0.623 1.00 0.00 H new ATOM 0 HA ASN A 71 0.765 -8.719 1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.322 -8.381 2.656 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.743 -9.980 2.232 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.030 -10.231 -0.494 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.057 -11.042 0.738 1.00 0.00 H new ATOM 1027 N LEU A 72 2.320 -6.194 0.555 1.00 0.00 N ATOM 1028 CA LEU A 72 2.462 -4.713 0.663 1.00 0.00 C ATOM 1029 C LEU A 72 1.257 -3.959 0.104 1.00 0.00 C ATOM 1030 O LEU A 72 0.755 -4.237 -0.968 1.00 0.00 O ATOM 1031 CB LEU A 72 3.707 -4.275 -0.098 1.00 0.00 C ATOM 1032 CG LEU A 72 4.949 -4.819 0.607 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.144 -4.713 -0.336 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.231 -4.006 1.878 1.00 0.00 C ATOM 0 H LEU A 72 2.761 -6.617 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 72 2.538 -4.474 1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.668 -4.641 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.751 -3.187 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 72 4.781 -5.861 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.034 -5.099 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.949 -5.295 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.303 -3.669 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.118 -4.401 2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.398 -2.962 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.377 -4.076 2.552 1.00 0.00 H new ATOM 1046 N THR A 73 0.839 -2.964 0.833 1.00 0.00 N ATOM 1047 CA THR A 73 -0.287 -2.092 0.408 1.00 0.00 C ATOM 1048 C THR A 73 -0.023 -0.723 1.037 1.00 0.00 C ATOM 1049 O THR A 73 0.775 -0.619 1.944 1.00 0.00 O ATOM 1050 CB THR A 73 -1.619 -2.660 0.908 1.00 0.00 C ATOM 1051 OG1 THR A 73 -2.671 -1.771 0.559 1.00 0.00 O ATOM 1052 CG2 THR A 73 -1.569 -2.823 2.426 1.00 0.00 C ATOM 0 H THR A 73 1.245 -2.713 1.734 1.00 0.00 H new ATOM 0 HA THR A 73 -0.351 -2.026 -0.678 1.00 0.00 H new ATOM 0 HB THR A 73 -1.796 -3.632 0.447 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.318 -1.051 -0.005 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.517 -3.227 2.780 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.762 -3.505 2.692 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.392 -1.853 2.890 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.645 0.330 0.576 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.350 1.667 1.183 1.00 0.00 C ATOM 1062 C VAL A 74 -1.617 2.306 1.747 1.00 0.00 C ATOM 1063 O VAL A 74 -2.649 2.362 1.109 1.00 0.00 O ATOM 1064 CB VAL A 74 0.271 2.579 0.121 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -0.531 2.472 -1.177 1.00 0.00 C ATOM 1066 CG2 VAL A 74 0.253 4.032 0.608 1.00 0.00 C ATOM 0 H VAL A 74 -1.331 0.328 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 74 0.351 1.530 2.006 1.00 0.00 H new ATOM 0 HB VAL A 74 1.301 2.270 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.089 3.121 -1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.515 1.441 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.561 2.777 -0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.696 4.676 -0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.776 4.342 0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.826 4.113 1.532 1.00 0.00 H new ATOM 1076 N ASN A 75 -1.524 2.791 2.959 1.00 0.00 N ATOM 1077 CA ASN A 75 -2.690 3.440 3.614 1.00 0.00 C ATOM 1078 C ASN A 75 -2.755 4.906 3.197 1.00 0.00 C ATOM 1079 O ASN A 75 -2.049 5.745 3.722 1.00 0.00 O ATOM 1080 CB ASN A 75 -2.525 3.354 5.134 1.00 0.00 C ATOM 1081 CG ASN A 75 -3.859 3.668 5.811 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -4.819 4.014 5.156 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -3.958 3.560 7.109 1.00 0.00 N ATOM 0 H ASN A 75 -0.677 2.762 3.526 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.608 2.934 3.313 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.187 2.357 5.418 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.762 4.057 5.468 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.843 3.767 7.572 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.150 3.269 7.660 1.00 0.00 H new ATOM 1090 N LEU A 76 -3.598 5.222 2.260 1.00 0.00 N ATOM 1091 CA LEU A 76 -3.716 6.632 1.807 1.00 0.00 C ATOM 1092 C LEU A 76 -4.365 7.451 2.919 1.00 0.00 C ATOM 1093 O LEU A 76 -4.696 8.608 2.750 1.00 0.00 O ATOM 1094 CB LEU A 76 -4.564 6.664 0.537 1.00 0.00 C ATOM 1095 CG LEU A 76 -4.086 5.542 -0.412 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -5.269 4.665 -0.825 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -3.428 6.137 -1.663 1.00 0.00 C ATOM 0 H LEU A 76 -4.214 4.562 1.786 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.737 7.057 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.617 6.526 0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.475 7.634 0.049 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.352 4.935 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.922 3.877 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.717 4.217 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.013 5.275 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.098 5.331 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.148 6.762 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.569 6.741 -1.370 1.00 0.00 H new ATOM 1109 N THR A 77 -4.526 6.852 4.069 1.00 0.00 N ATOM 1110 CA THR A 77 -5.126 7.575 5.221 1.00 0.00 C ATOM 1111 C THR A 77 -4.002 8.222 6.023 1.00 0.00 C ATOM 1112 O THR A 77 -4.123 9.331 6.506 1.00 0.00 O ATOM 1113 CB THR A 77 -5.870 6.579 6.110 1.00 0.00 C ATOM 1114 OG1 THR A 77 -6.883 5.948 5.347 1.00 0.00 O ATOM 1115 CG2 THR A 77 -6.485 7.320 7.301 1.00 0.00 C ATOM 0 H THR A 77 -4.264 5.884 4.258 1.00 0.00 H new ATOM 0 HA THR A 77 -5.822 8.335 4.867 1.00 0.00 H new ATOM 0 HB THR A 77 -5.180 5.823 6.485 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.515 5.151 4.910 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.016 6.611 7.936 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.695 7.802 7.877 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.182 8.075 6.939 1.00 0.00 H new ATOM 1123 N THR A 78 -2.910 7.521 6.170 1.00 0.00 N ATOM 1124 CA THR A 78 -1.755 8.067 6.949 1.00 0.00 C ATOM 1125 C THR A 78 -0.515 8.197 6.055 1.00 0.00 C ATOM 1126 O THR A 78 0.433 8.874 6.399 1.00 0.00 O ATOM 1127 CB THR A 78 -1.443 7.122 8.109 1.00 0.00 C ATOM 1128 OG1 THR A 78 -2.628 6.885 8.856 1.00 0.00 O ATOM 1129 CG2 THR A 78 -0.383 7.751 9.014 1.00 0.00 C ATOM 0 H THR A 78 -2.765 6.588 5.783 1.00 0.00 H new ATOM 0 HA THR A 78 -2.019 9.054 7.327 1.00 0.00 H new ATOM 0 HB THR A 78 -1.065 6.178 7.717 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.666 5.942 9.119 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.162 7.075 9.840 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.526 7.931 8.440 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.756 8.696 9.408 1.00 0.00 H new ATOM 1137 N PHE A 79 -0.515 7.563 4.915 1.00 0.00 N ATOM 1138 CA PHE A 79 0.662 7.659 3.997 1.00 0.00 C ATOM 1139 C PHE A 79 1.787 6.723 4.464 1.00 0.00 C ATOM 1140 O PHE A 79 2.929 7.117 4.596 1.00 0.00 O ATOM 1141 CB PHE A 79 1.168 9.111 3.944 1.00 0.00 C ATOM 1142 CG PHE A 79 1.603 9.455 2.535 1.00 0.00 C ATOM 1143 CD1 PHE A 79 2.649 8.746 1.930 1.00 0.00 C ATOM 1144 CD2 PHE A 79 0.959 10.482 1.834 1.00 0.00 C ATOM 1145 CE1 PHE A 79 3.049 9.065 0.626 1.00 0.00 C ATOM 1146 CE2 PHE A 79 1.360 10.800 0.532 1.00 0.00 C ATOM 1147 CZ PHE A 79 2.404 10.092 -0.073 1.00 0.00 C ATOM 0 H PHE A 79 -1.280 6.980 4.576 1.00 0.00 H new ATOM 0 HA PHE A 79 0.352 7.353 2.998 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.380 9.792 4.267 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.003 9.240 4.633 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.147 7.954 2.469 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.152 11.029 2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 79 3.855 8.518 0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.863 11.593 -0.007 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.712 10.338 -1.079 1.00 0.00 H new ATOM 1157 N ARG A 80 1.471 5.477 4.673 1.00 0.00 N ATOM 1158 CA ARG A 80 2.501 4.482 5.083 1.00 0.00 C ATOM 1159 C ARG A 80 2.152 3.168 4.395 1.00 0.00 C ATOM 1160 O ARG A 80 1.187 3.091 3.661 1.00 0.00 O ATOM 1161 CB ARG A 80 2.517 4.283 6.606 1.00 0.00 C ATOM 1162 CG ARG A 80 1.211 4.782 7.233 1.00 0.00 C ATOM 1163 CD ARG A 80 0.986 4.057 8.564 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.011 4.802 9.386 1.00 0.00 N ATOM 1165 CZ ARG A 80 -0.031 4.654 10.684 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -0.905 5.307 11.400 1.00 0.00 N ATOM 1167 NH2 ARG A 80 0.820 3.853 11.264 1.00 0.00 N ATOM 0 H ARG A 80 0.528 5.099 4.576 1.00 0.00 H new ATOM 0 HA ARG A 80 3.491 4.835 4.795 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.657 3.227 6.838 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.362 4.819 7.039 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.259 5.859 7.395 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.375 4.598 6.558 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.633 3.042 8.380 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.928 3.974 9.106 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.678 5.428 8.934 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.571 5.932 10.946 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.922 5.192 12.413 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.502 3.341 10.704 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.803 3.738 12.277 1.00 0.00 H new ATOM 1181 N LEU A 81 2.917 2.139 4.606 1.00 0.00 N ATOM 1182 CA LEU A 81 2.605 0.846 3.938 1.00 0.00 C ATOM 1183 C LEU A 81 2.237 -0.210 4.970 1.00 0.00 C ATOM 1184 O LEU A 81 2.223 0.034 6.158 1.00 0.00 O ATOM 1185 CB LEU A 81 3.822 0.377 3.132 1.00 0.00 C ATOM 1186 CG LEU A 81 3.618 0.701 1.661 1.00 0.00 C ATOM 1187 CD1 LEU A 81 3.598 2.220 1.466 1.00 0.00 C ATOM 1188 CD2 LEU A 81 4.751 0.088 0.835 1.00 0.00 C ATOM 0 H LEU A 81 3.740 2.134 5.208 1.00 0.00 H new ATOM 0 HA LEU A 81 1.757 0.992 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.724 0.865 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.965 -0.696 3.262 1.00 0.00 H new ATOM 0 HG LEU A 81 2.667 0.284 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.452 2.449 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.783 2.651 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.545 2.642 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.601 0.323 -0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.705 0.498 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.755 -0.994 0.969 1.00 0.00 H new ATOM 1200 N TRP A 82 1.939 -1.386 4.504 1.00 0.00 N ATOM 1201 CA TRP A 82 1.565 -2.493 5.420 1.00 0.00 C ATOM 1202 C TRP A 82 1.891 -3.811 4.730 1.00 0.00 C ATOM 1203 O TRP A 82 1.275 -4.177 3.748 1.00 0.00 O ATOM 1204 CB TRP A 82 0.071 -2.430 5.733 1.00 0.00 C ATOM 1205 CG TRP A 82 -0.335 -3.653 6.491 1.00 0.00 C ATOM 1206 CD1 TRP A 82 -0.668 -4.839 5.930 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -0.456 -3.834 7.931 1.00 0.00 C ATOM 1208 NE1 TRP A 82 -0.985 -5.735 6.935 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -0.869 -5.162 8.186 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -0.250 -2.981 9.031 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -1.071 -5.629 9.485 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -0.450 -3.448 10.340 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -0.860 -4.770 10.566 1.00 0.00 C ATOM 0 H TRP A 82 1.939 -1.631 3.514 1.00 0.00 H new ATOM 0 HA TRP A 82 2.118 -2.408 6.355 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.151 -1.537 6.318 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.502 -2.356 4.809 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -0.684 -5.051 4.871 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -1.270 -6.701 6.772 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.064 -1.961 8.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -1.388 -6.647 9.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.287 -2.786 11.177 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -1.012 -5.124 11.575 1.00 0.00 H new ATOM 1224 N CYS A 83 2.865 -4.520 5.218 1.00 0.00 N ATOM 1225 CA CYS A 83 3.242 -5.801 4.576 1.00 0.00 C ATOM 1226 C CYS A 83 2.551 -6.961 5.277 1.00 0.00 C ATOM 1227 O CYS A 83 2.916 -7.323 6.368 1.00 0.00 O ATOM 1228 CB CYS A 83 4.755 -5.989 4.689 1.00 0.00 C ATOM 1229 SG CYS A 83 5.364 -6.793 3.193 1.00 0.00 S ATOM 0 H CYS A 83 3.417 -4.265 6.037 1.00 0.00 H new ATOM 0 HA CYS A 83 2.938 -5.778 3.529 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.245 -5.024 4.823 1.00 0.00 H new ATOM 0 HB3 CYS A 83 4.994 -6.593 5.564 1.00 0.00 H new ATOM 1234 N TYR A 84 1.585 -7.576 4.660 1.00 0.00 N ATOM 1235 CA TYR A 84 0.944 -8.737 5.327 1.00 0.00 C ATOM 1236 C TYR A 84 1.983 -9.856 5.369 1.00 0.00 C ATOM 1237 O TYR A 84 1.733 -10.946 5.844 1.00 0.00 O ATOM 1238 CB TYR A 84 -0.300 -9.185 4.546 1.00 0.00 C ATOM 1239 CG TYR A 84 -1.233 -9.932 5.471 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -1.194 -11.331 5.523 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -2.134 -9.226 6.278 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -2.058 -12.023 6.381 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -2.997 -9.919 7.135 1.00 0.00 C ATOM 1244 CZ TYR A 84 -2.960 -11.317 7.187 1.00 0.00 C ATOM 1245 OH TYR A 84 -3.810 -12.000 8.032 1.00 0.00 O ATOM 0 H TYR A 84 1.217 -7.331 3.741 1.00 0.00 H new ATOM 0 HA TYR A 84 0.617 -8.475 6.333 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.808 -8.319 4.122 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.009 -9.824 3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.498 -11.876 4.902 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -2.163 -8.147 6.239 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.029 -13.102 6.421 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.692 -9.374 7.757 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.369 -11.360 8.521 1.00 0.00 H new ATOM 1255 N ALA A 85 3.172 -9.563 4.894 1.00 0.00 N ATOM 1256 CA ALA A 85 4.270 -10.563 4.920 1.00 0.00 C ATOM 1257 C ALA A 85 5.162 -10.213 6.108 1.00 0.00 C ATOM 1258 O ALA A 85 5.148 -10.880 7.123 1.00 0.00 O ATOM 1259 CB ALA A 85 5.086 -10.499 3.627 1.00 0.00 C ATOM 0 H ALA A 85 3.423 -8.662 4.487 1.00 0.00 H new ATOM 0 HA ALA A 85 3.866 -11.571 5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.886 -11.239 3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.437 -10.709 2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.517 -9.504 3.518 1.00 0.00 H new ATOM 1265 N CYS A 86 5.892 -9.124 6.023 1.00 0.00 N ATOM 1266 CA CYS A 86 6.707 -8.709 7.178 1.00 0.00 C ATOM 1267 C CYS A 86 5.702 -8.401 8.278 1.00 0.00 C ATOM 1268 O CYS A 86 6.032 -8.227 9.435 1.00 0.00 O ATOM 1269 CB CYS A 86 7.521 -7.460 6.811 1.00 0.00 C ATOM 1270 SG CYS A 86 8.443 -7.763 5.282 1.00 0.00 S ATOM 0 H CYS A 86 5.949 -8.518 5.204 1.00 0.00 H new ATOM 0 HA CYS A 86 7.419 -9.473 7.490 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.857 -6.605 6.684 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.209 -7.212 7.619 1.00 0.00 H new ATOM 1275 N GLU A 87 4.454 -8.357 7.888 1.00 0.00 N ATOM 1276 CA GLU A 87 3.351 -8.084 8.845 1.00 0.00 C ATOM 1277 C GLU A 87 3.708 -6.873 9.707 1.00 0.00 C ATOM 1278 O GLU A 87 3.834 -6.956 10.912 1.00 0.00 O ATOM 1279 CB GLU A 87 3.128 -9.337 9.696 1.00 0.00 C ATOM 1280 CG GLU A 87 1.708 -9.871 9.480 1.00 0.00 C ATOM 1281 CD GLU A 87 0.702 -8.943 10.166 1.00 0.00 C ATOM 1282 OE1 GLU A 87 0.842 -7.740 10.019 1.00 0.00 O ATOM 1283 OE2 GLU A 87 -0.190 -9.453 10.825 1.00 0.00 O ATOM 0 H GLU A 87 4.152 -8.503 6.925 1.00 0.00 H new ATOM 0 HA GLU A 87 2.427 -7.850 8.316 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.857 -10.102 9.430 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.281 -9.103 10.750 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.491 -9.935 8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.622 -10.880 9.884 1.00 0.00 H new ATOM 1290 N LYS A 88 3.869 -5.738 9.081 1.00 0.00 N ATOM 1291 CA LYS A 88 4.213 -4.505 9.839 1.00 0.00 C ATOM 1292 C LYS A 88 3.876 -3.285 8.981 1.00 0.00 C ATOM 1293 O LYS A 88 3.223 -3.397 7.967 1.00 0.00 O ATOM 1294 CB LYS A 88 5.708 -4.508 10.194 1.00 0.00 C ATOM 1295 CG LYS A 88 6.513 -5.221 9.094 1.00 0.00 C ATOM 1296 CD LYS A 88 7.848 -5.745 9.665 1.00 0.00 C ATOM 1297 CE LYS A 88 9.028 -5.059 8.967 1.00 0.00 C ATOM 1298 NZ LYS A 88 9.131 -3.648 9.437 1.00 0.00 N ATOM 0 H LYS A 88 3.776 -5.614 8.073 1.00 0.00 H new ATOM 0 HA LYS A 88 3.638 -4.469 10.765 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.064 -3.484 10.310 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.861 -5.009 11.150 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.933 -6.049 8.688 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.706 -4.533 8.271 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.892 -5.557 10.738 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.912 -6.824 9.527 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.953 -5.594 9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.890 -5.084 7.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.931 -3.182 8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.252 -3.141 9.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.282 -3.635 10.466 1.00 0.00 H new ATOM 1312 N GLU A 89 4.312 -2.123 9.385 1.00 0.00 N ATOM 1313 CA GLU A 89 4.012 -0.884 8.601 1.00 0.00 C ATOM 1314 C GLU A 89 5.324 -0.277 8.106 1.00 0.00 C ATOM 1315 O GLU A 89 6.303 -0.247 8.825 1.00 0.00 O ATOM 1316 CB GLU A 89 3.290 0.118 9.519 1.00 0.00 C ATOM 1317 CG GLU A 89 1.989 0.598 8.865 1.00 0.00 C ATOM 1318 CD GLU A 89 1.027 1.095 9.946 1.00 0.00 C ATOM 1319 OE1 GLU A 89 1.503 1.537 10.978 1.00 0.00 O ATOM 1320 OE2 GLU A 89 -0.170 1.024 9.723 1.00 0.00 O ATOM 0 H GLU A 89 4.866 -1.975 10.228 1.00 0.00 H new ATOM 0 HA GLU A 89 3.379 -1.121 7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.071 -0.350 10.479 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.939 0.970 9.721 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.200 1.398 8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.531 -0.215 8.302 1.00 0.00 H new ATOM 1327 N VAL A 90 5.369 0.207 6.887 1.00 0.00 N ATOM 1328 CA VAL A 90 6.651 0.799 6.395 1.00 0.00 C ATOM 1329 C VAL A 90 6.364 2.021 5.519 1.00 0.00 C ATOM 1330 O VAL A 90 5.389 2.082 4.808 1.00 0.00 O ATOM 1331 CB VAL A 90 7.432 -0.263 5.595 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.472 -0.931 6.501 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.463 -1.330 5.077 1.00 0.00 C ATOM 0 H VAL A 90 4.592 0.218 6.226 1.00 0.00 H new ATOM 0 HA VAL A 90 7.252 1.119 7.246 1.00 0.00 H new ATOM 0 HB VAL A 90 7.933 0.220 4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.022 -1.681 5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.166 -0.178 6.875 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.969 -1.410 7.341 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.016 -2.080 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.962 -1.807 5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.720 -0.863 4.430 1.00 0.00 H new ATOM 1343 N PHE A 91 7.221 2.998 5.573 1.00 0.00 N ATOM 1344 CA PHE A 91 7.032 4.228 4.752 1.00 0.00 C ATOM 1345 C PHE A 91 7.975 4.172 3.566 1.00 0.00 C ATOM 1346 O PHE A 91 8.872 3.355 3.515 1.00 0.00 O ATOM 1347 CB PHE A 91 7.407 5.468 5.560 1.00 0.00 C ATOM 1348 CG PHE A 91 6.499 5.611 6.759 1.00 0.00 C ATOM 1349 CD1 PHE A 91 6.585 4.700 7.818 1.00 0.00 C ATOM 1350 CD2 PHE A 91 5.573 6.661 6.813 1.00 0.00 C ATOM 1351 CE1 PHE A 91 5.747 4.838 8.930 1.00 0.00 C ATOM 1352 CE2 PHE A 91 4.735 6.798 7.926 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.822 5.887 8.985 1.00 0.00 C ATOM 0 H PHE A 91 8.056 2.999 6.158 1.00 0.00 H new ATOM 0 HA PHE A 91 5.989 4.280 4.440 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.444 5.396 5.888 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.332 6.355 4.932 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.298 3.890 7.777 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.506 7.364 5.996 1.00 0.00 H new ATOM 0 HE1 PHE A 91 5.814 4.134 9.747 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.021 7.607 7.968 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.176 5.993 9.844 1.00 0.00 H new ATOM 1363 N LEU A 92 7.808 5.054 2.624 1.00 0.00 N ATOM 1364 CA LEU A 92 8.732 5.058 1.472 1.00 0.00 C ATOM 1365 C LEU A 92 10.153 4.976 2.025 1.00 0.00 C ATOM 1366 O LEU A 92 10.440 5.460 3.103 1.00 0.00 O ATOM 1367 CB LEU A 92 8.550 6.348 0.668 1.00 0.00 C ATOM 1368 CG LEU A 92 7.236 6.282 -0.118 1.00 0.00 C ATOM 1369 CD1 LEU A 92 6.050 6.252 0.852 1.00 0.00 C ATOM 1370 CD2 LEU A 92 7.121 7.511 -1.027 1.00 0.00 C ATOM 0 H LEU A 92 7.077 5.765 2.606 1.00 0.00 H new ATOM 0 HA LEU A 92 8.533 4.215 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.542 7.208 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.388 6.484 -0.016 1.00 0.00 H new ATOM 0 HG LEU A 92 7.227 5.376 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.119 6.205 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.128 5.376 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.058 7.154 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.186 7.464 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.135 8.416 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.960 7.528 -1.723 1.00 0.00 H new ATOM 1382 N GLU A 93 11.029 4.349 1.314 1.00 0.00 N ATOM 1383 CA GLU A 93 12.434 4.200 1.791 1.00 0.00 C ATOM 1384 C GLU A 93 13.003 5.556 2.233 1.00 0.00 C ATOM 1385 O GLU A 93 14.149 5.654 2.624 1.00 0.00 O ATOM 1386 CB GLU A 93 13.284 3.630 0.657 1.00 0.00 C ATOM 1387 CG GLU A 93 13.007 4.414 -0.628 1.00 0.00 C ATOM 1388 CD GLU A 93 13.634 3.688 -1.818 1.00 0.00 C ATOM 1389 OE1 GLU A 93 13.247 3.981 -2.937 1.00 0.00 O ATOM 1390 OE2 GLU A 93 14.492 2.851 -1.590 1.00 0.00 O ATOM 0 H GLU A 93 10.837 3.923 0.407 1.00 0.00 H new ATOM 0 HA GLU A 93 12.451 3.526 2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.342 3.692 0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.053 2.575 0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.932 4.518 -0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.416 5.421 -0.547 1.00 0.00 H new ATOM 1397 N GLN A 94 12.218 6.598 2.181 1.00 0.00 N ATOM 1398 CA GLN A 94 12.716 7.939 2.608 1.00 0.00 C ATOM 1399 C GLN A 94 13.903 8.367 1.738 1.00 0.00 C ATOM 1400 O GLN A 94 14.275 9.523 1.716 1.00 0.00 O ATOM 1401 CB GLN A 94 13.154 7.881 4.074 1.00 0.00 C ATOM 1402 CG GLN A 94 12.123 7.094 4.884 1.00 0.00 C ATOM 1403 CD GLN A 94 12.382 7.300 6.378 1.00 0.00 C ATOM 1404 OE1 GLN A 94 11.948 8.279 6.952 1.00 0.00 O ATOM 1405 NE2 GLN A 94 13.075 6.412 7.035 1.00 0.00 N ATOM 0 H GLN A 94 11.250 6.579 1.860 1.00 0.00 H new ATOM 0 HA GLN A 94 11.912 8.666 2.493 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.133 7.408 4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.254 8.890 4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.116 7.425 4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.183 6.034 4.637 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.439 5.590 6.553 1.00 0.00 H new ATOM 0 HE22 GLN A 94 13.253 6.539 8.031 1.00 0.00 H new ATOM 1414 N ARG A 95 14.502 7.453 1.020 1.00 0.00 N ATOM 1415 CA ARG A 95 15.660 7.828 0.158 1.00 0.00 C ATOM 1416 C ARG A 95 15.311 9.098 -0.616 1.00 0.00 C ATOM 1417 O ARG A 95 16.158 9.912 -0.921 1.00 0.00 O ATOM 1418 CB ARG A 95 15.964 6.676 -0.814 1.00 0.00 C ATOM 1419 CG ARG A 95 15.118 6.800 -2.095 1.00 0.00 C ATOM 1420 CD ARG A 95 15.784 7.765 -3.090 1.00 0.00 C ATOM 1421 NE ARG A 95 16.293 6.993 -4.260 1.00 0.00 N ATOM 1422 CZ ARG A 95 16.725 7.622 -5.318 1.00 0.00 C ATOM 1423 NH1 ARG A 95 17.170 6.946 -6.343 1.00 0.00 N ATOM 1424 NH2 ARG A 95 16.712 8.927 -5.354 1.00 0.00 N ATOM 0 H ARG A 95 14.240 6.467 0.994 1.00 0.00 H new ATOM 0 HA ARG A 95 16.542 8.013 0.771 1.00 0.00 H new ATOM 0 HB2 ARG A 95 17.023 6.682 -1.071 1.00 0.00 H new ATOM 0 HB3 ARG A 95 15.759 5.722 -0.329 1.00 0.00 H new ATOM 0 HG2 ARG A 95 14.999 5.819 -2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.119 7.158 -1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.067 8.517 -3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.603 8.296 -2.606 1.00 0.00 H new ATOM 0 HE ARG A 95 16.303 5.973 -4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.180 5.926 -6.316 1.00 0.00 H new ATOM 0 HH12 ARG A 95 17.508 7.438 -7.170 1.00 0.00 H new ATOM 0 HH21 ARG A 95 16.364 9.456 -4.554 1.00 0.00 H new ATOM 0 HH22 ARG A 95 17.050 9.418 -6.182 1.00 0.00 H new ATOM 1438 N LEU A 96 14.059 9.264 -0.930 1.00 0.00 N ATOM 1439 CA LEU A 96 13.626 10.474 -1.683 1.00 0.00 C ATOM 1440 C LEU A 96 13.106 11.523 -0.701 1.00 0.00 C ATOM 1441 O LEU A 96 13.129 11.329 0.498 1.00 0.00 O ATOM 1442 CB LEU A 96 12.514 10.096 -2.669 1.00 0.00 C ATOM 1443 CG LEU A 96 11.404 9.312 -1.947 1.00 0.00 C ATOM 1444 CD1 LEU A 96 10.582 10.251 -1.050 1.00 0.00 C ATOM 1445 CD2 LEU A 96 10.485 8.668 -2.989 1.00 0.00 C ATOM 0 H LEU A 96 13.311 8.610 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 96 14.473 10.881 -2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.098 10.996 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.926 9.494 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 96 11.859 8.542 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.801 9.682 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.235 10.708 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.126 11.031 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.696 8.111 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.040 9.445 -3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.064 7.990 -3.615 1.00 0.00 H new ATOM 1457 N ALA A 97 12.632 12.630 -1.197 1.00 0.00 N ATOM 1458 CA ALA A 97 12.109 13.685 -0.284 1.00 0.00 C ATOM 1459 C ALA A 97 11.314 14.713 -1.090 1.00 0.00 C ATOM 1460 O ALA A 97 11.358 14.735 -2.303 1.00 0.00 O ATOM 1461 CB ALA A 97 13.278 14.380 0.417 1.00 0.00 C ATOM 0 H ALA A 97 12.584 12.851 -2.192 1.00 0.00 H new ATOM 0 HA ALA A 97 11.458 13.228 0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.895 15.152 1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.843 13.648 0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.930 14.836 -0.328 1.00 0.00 H new ATOM 1467 N ALA A 98 10.584 15.566 -0.423 1.00 0.00 N ATOM 1468 CA ALA A 98 9.786 16.593 -1.150 1.00 0.00 C ATOM 1469 C ALA A 98 8.923 15.909 -2.213 1.00 0.00 C ATOM 1470 O ALA A 98 9.184 16.013 -3.395 1.00 0.00 O ATOM 1471 CB ALA A 98 10.731 17.590 -1.823 1.00 0.00 C ATOM 0 H ALA A 98 10.506 15.595 0.594 1.00 0.00 H new ATOM 0 HA ALA A 98 9.144 17.121 -0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.148 18.342 -2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.346 18.077 -1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.374 17.063 -2.528 1.00 0.00 H new ATOM 1477 N PRO A 99 7.902 15.215 -1.791 1.00 0.00 N ATOM 1478 CA PRO A 99 6.976 14.496 -2.714 1.00 0.00 C ATOM 1479 C PRO A 99 6.491 15.390 -3.861 1.00 0.00 C ATOM 1480 O PRO A 99 6.813 16.567 -3.844 1.00 0.00 O ATOM 1481 CB PRO A 99 5.805 14.091 -1.813 1.00 0.00 C ATOM 1482 CG PRO A 99 6.381 14.013 -0.435 1.00 0.00 C ATOM 1483 CD PRO A 99 7.517 15.037 -0.381 1.00 0.00 C ATOM 1484 OXT PRO A 99 5.807 14.882 -4.734 1.00 0.00 O ATOM 0 HA PRO A 99 7.462 13.650 -3.199 1.00 0.00 H new ATOM 0 HB2 PRO A 99 4.999 14.823 -1.862 1.00 0.00 H new ATOM 0 HB3 PRO A 99 5.385 13.133 -2.119 1.00 0.00 H new ATOM 0 HG2 PRO A 99 5.623 14.235 0.316 1.00 0.00 H new ATOM 0 HG3 PRO A 99 6.753 13.010 -0.226 1.00 0.00 H new ATOM 0 HD2 PRO A 99 7.188 15.976 0.065 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.352 14.675 0.218 1.00 0.00 H new TER 1492 PRO A 99 HETATM 1493 ZN ZN A 101 7.629 -7.118 3.213 1.00 0.00 ZN HETATM 1494 ZN ZN A 102 -12.980 -3.166 -0.166 1.00 0.00 ZN HETATM 1495 ZN ZN A 103 -3.019 -6.846 -4.782 1.00 0.00 ZN