USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 335 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 32 HIS HD1 : A 32 HIS ND1 : A 38 ZNZN :(H bumps) USER MOD Set 1.1: A 1 MET CE :methyl 174:sc= -1.32 (180deg=-0.932) USER MOD Set 1.2: A 36 GLN : amide:sc= -1.04 K(o=-2.4,f=-5.3!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.512 X(o=-0.51,f=-0.042) USER MOD Single : A 24 TYR OH : rot 15:sc= -0.156 USER MOD Single : A 29 ASN : amide:sc= -4.38! C(o=-4.4!,f=-15!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= -0.189 (180deg=-0.688) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 36.191 10.664 9.851 1.00 0.00 N ATOM 2 CA MET A 1 36.966 10.546 8.583 1.00 0.00 C ATOM 3 C MET A 1 36.357 11.457 7.511 1.00 0.00 C ATOM 4 O MET A 1 35.180 11.381 7.218 1.00 0.00 O ATOM 5 CB MET A 1 36.839 9.075 8.180 1.00 0.00 C ATOM 6 CG MET A 1 37.804 8.768 7.034 1.00 0.00 C ATOM 7 SD MET A 1 37.757 6.997 6.673 1.00 0.00 S ATOM 8 CE MET A 1 36.115 6.962 5.912 1.00 0.00 C ATOM 0 H1 MET A 1 36.610 10.044 10.573 1.00 0.00 H new ATOM 0 H2 MET A 1 36.217 11.649 10.184 1.00 0.00 H new ATOM 0 H3 MET A 1 35.204 10.382 9.682 1.00 0.00 H new ATOM 0 HA MET A 1 38.007 10.846 8.700 1.00 0.00 H new ATOM 0 HB2 MET A 1 37.058 8.434 9.034 1.00 0.00 H new ATOM 0 HB3 MET A 1 35.815 8.859 7.874 1.00 0.00 H new ATOM 0 HG2 MET A 1 37.528 9.339 6.148 1.00 0.00 H new ATOM 0 HG3 MET A 1 38.816 9.069 7.305 1.00 0.00 H new ATOM 0 HE1 MET A 1 35.921 5.967 5.512 1.00 0.00 H new ATOM 0 HE2 MET A 1 35.362 7.206 6.661 1.00 0.00 H new ATOM 0 HE3 MET A 1 36.073 7.692 5.104 1.00 0.00 H new ATOM 20 N LYS A 2 37.152 12.319 6.930 1.00 0.00 N ATOM 21 CA LYS A 2 36.628 13.243 5.878 1.00 0.00 C ATOM 22 C LYS A 2 37.652 13.382 4.750 1.00 0.00 C ATOM 23 O LYS A 2 38.057 14.469 4.385 1.00 0.00 O ATOM 24 CB LYS A 2 36.437 14.578 6.585 1.00 0.00 C ATOM 25 CG LYS A 2 35.135 14.559 7.398 1.00 0.00 C ATOM 26 CD LYS A 2 35.449 14.345 8.885 1.00 0.00 C ATOM 27 CE LYS A 2 35.591 15.701 9.589 1.00 0.00 C ATOM 28 NZ LYS A 2 35.104 15.472 10.980 1.00 0.00 N ATOM 0 H LYS A 2 38.145 12.423 7.139 1.00 0.00 H new ATOM 0 HA LYS A 2 35.702 12.881 5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 2 37.283 14.775 7.243 1.00 0.00 H new ATOM 0 HB3 LYS A 2 36.407 15.385 5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 2 34.598 15.498 7.262 1.00 0.00 H new ATOM 0 HG3 LYS A 2 34.483 13.764 7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 2 34.655 13.764 9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 2 36.370 13.771 8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 2 36.627 16.040 9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 2 35.002 16.469 9.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 35.172 16.357 11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 34.113 15.157 10.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 35.687 14.742 11.436 1.00 0.00 H new ATOM 42 N VAL A 3 38.071 12.280 4.210 1.00 0.00 N ATOM 43 CA VAL A 3 39.075 12.303 3.103 1.00 0.00 C ATOM 44 C VAL A 3 38.433 12.851 1.818 1.00 0.00 C ATOM 45 O VAL A 3 38.289 14.047 1.651 1.00 0.00 O ATOM 46 CB VAL A 3 39.502 10.836 2.930 1.00 0.00 C ATOM 47 CG1 VAL A 3 40.600 10.734 1.865 1.00 0.00 C ATOM 48 CG2 VAL A 3 40.042 10.292 4.259 1.00 0.00 C ATOM 0 H VAL A 3 37.761 11.349 4.487 1.00 0.00 H new ATOM 0 HA VAL A 3 39.927 12.947 3.321 1.00 0.00 H new ATOM 0 HB VAL A 3 38.636 10.252 2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 3 40.898 9.692 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 3 40.222 11.112 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 3 41.462 11.325 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 3 40.343 9.252 4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 3 40.903 10.883 4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 3 39.264 10.353 5.020 1.00 0.00 H new ATOM 58 N ARG A 4 38.048 11.989 0.911 1.00 0.00 N ATOM 59 CA ARG A 4 37.417 12.460 -0.360 1.00 0.00 C ATOM 60 C ARG A 4 36.753 11.286 -1.082 1.00 0.00 C ATOM 61 O ARG A 4 35.833 11.462 -1.857 1.00 0.00 O ATOM 62 CB ARG A 4 38.572 13.023 -1.198 1.00 0.00 C ATOM 63 CG ARG A 4 38.018 13.706 -2.457 1.00 0.00 C ATOM 64 CD ARG A 4 37.474 15.092 -2.100 1.00 0.00 C ATOM 65 NE ARG A 4 38.682 15.923 -1.827 1.00 0.00 N ATOM 66 CZ ARG A 4 38.573 17.041 -1.161 1.00 0.00 C ATOM 67 NH1 ARG A 4 37.404 17.443 -0.738 1.00 0.00 N ATOM 68 NH2 ARG A 4 39.634 17.762 -0.922 1.00 0.00 N ATOM 0 H ARG A 4 38.144 10.977 0.996 1.00 0.00 H new ATOM 0 HA ARG A 4 36.643 13.207 -0.184 1.00 0.00 H new ATOM 0 HB2 ARG A 4 39.146 13.738 -0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 4 39.254 12.221 -1.479 1.00 0.00 H new ATOM 0 HG2 ARG A 4 38.803 13.796 -3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 4 37.227 13.097 -2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 4 36.886 15.508 -2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 4 36.821 15.047 -1.229 1.00 0.00 H new ATOM 0 HE ARG A 4 39.596 15.617 -2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 4 36.573 16.883 -0.928 1.00 0.00 H new ATOM 0 HH12 ARG A 4 37.323 18.317 -0.218 1.00 0.00 H new ATOM 0 HH21 ARG A 4 40.547 17.452 -1.255 1.00 0.00 H new ATOM 0 HH22 ARG A 4 39.550 18.635 -0.402 1.00 0.00 H new ATOM 82 N ALA A 5 37.214 10.089 -0.829 1.00 0.00 N ATOM 83 CA ALA A 5 36.616 8.894 -1.494 1.00 0.00 C ATOM 84 C ALA A 5 35.147 8.736 -1.080 1.00 0.00 C ATOM 85 O ALA A 5 34.751 9.137 -0.003 1.00 0.00 O ATOM 86 CB ALA A 5 37.447 7.710 -0.994 1.00 0.00 C ATOM 0 H ALA A 5 37.982 9.887 -0.188 1.00 0.00 H new ATOM 0 HA ALA A 5 36.630 8.973 -2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 5 37.071 6.788 -1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 5 38.490 7.851 -1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 5 37.373 7.646 0.092 1.00 0.00 H new ATOM 92 N SER A 6 34.343 8.150 -1.930 1.00 0.00 N ATOM 93 CA SER A 6 32.900 7.955 -1.598 1.00 0.00 C ATOM 94 C SER A 6 32.431 6.607 -2.147 1.00 0.00 C ATOM 95 O SER A 6 32.234 6.444 -3.336 1.00 0.00 O ATOM 96 CB SER A 6 32.172 9.112 -2.287 1.00 0.00 C ATOM 97 OG SER A 6 30.873 9.255 -1.723 1.00 0.00 O ATOM 0 H SER A 6 34.626 7.797 -2.844 1.00 0.00 H new ATOM 0 HA SER A 6 32.709 7.950 -0.525 1.00 0.00 H new ATOM 0 HB2 SER A 6 32.737 10.036 -2.165 1.00 0.00 H new ATOM 0 HB3 SER A 6 32.097 8.923 -3.358 1.00 0.00 H new ATOM 0 HG SER A 6 30.406 9.996 -2.162 1.00 0.00 H new ATOM 103 N VAL A 7 32.269 5.636 -1.287 1.00 0.00 N ATOM 104 CA VAL A 7 31.831 4.285 -1.746 1.00 0.00 C ATOM 105 C VAL A 7 30.516 4.360 -2.520 1.00 0.00 C ATOM 106 O VAL A 7 29.500 4.784 -2.004 1.00 0.00 O ATOM 107 CB VAL A 7 31.647 3.456 -0.474 1.00 0.00 C ATOM 108 CG1 VAL A 7 33.009 2.935 -0.010 1.00 0.00 C ATOM 109 CG2 VAL A 7 31.010 4.307 0.633 1.00 0.00 C ATOM 0 H VAL A 7 32.422 5.721 -0.282 1.00 0.00 H new ATOM 0 HA VAL A 7 32.565 3.845 -2.421 1.00 0.00 H new ATOM 0 HB VAL A 7 30.986 2.616 -0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 7 32.883 2.343 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 7 33.446 2.313 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 7 33.670 3.777 0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 7 30.886 3.702 1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 7 31.655 5.158 0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 7 30.036 4.667 0.301 1.00 0.00 H new ATOM 119 N LYS A 8 30.532 3.933 -3.752 1.00 0.00 N ATOM 120 CA LYS A 8 29.290 3.951 -4.574 1.00 0.00 C ATOM 121 C LYS A 8 28.927 2.524 -4.986 1.00 0.00 C ATOM 122 O LYS A 8 29.776 1.658 -5.066 1.00 0.00 O ATOM 123 CB LYS A 8 29.637 4.797 -5.801 1.00 0.00 C ATOM 124 CG LYS A 8 28.481 4.742 -6.805 1.00 0.00 C ATOM 125 CD LYS A 8 28.701 5.785 -7.903 1.00 0.00 C ATOM 126 CE LYS A 8 27.416 5.945 -8.722 1.00 0.00 C ATOM 127 NZ LYS A 8 26.762 7.168 -8.177 1.00 0.00 N ATOM 0 H LYS A 8 31.358 3.570 -4.228 1.00 0.00 H new ATOM 0 HA LYS A 8 28.435 4.359 -4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 8 29.825 5.829 -5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 8 30.552 4.427 -6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 8 28.415 3.746 -7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 8 27.535 4.930 -6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 8 28.984 6.740 -7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 8 29.522 5.478 -8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 8 27.636 6.055 -9.784 1.00 0.00 H new ATOM 0 HE3 LYS A 8 26.771 5.073 -8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 25.874 7.344 -8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 26.559 7.032 -7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 27.397 7.983 -8.296 1.00 0.00 H new ATOM 141 N ARG A 9 27.673 2.271 -5.244 1.00 0.00 N ATOM 142 CA ARG A 9 27.262 0.898 -5.645 1.00 0.00 C ATOM 143 C ARG A 9 27.559 0.662 -7.130 1.00 0.00 C ATOM 144 O ARG A 9 27.745 1.584 -7.899 1.00 0.00 O ATOM 145 CB ARG A 9 25.761 0.827 -5.371 1.00 0.00 C ATOM 146 CG ARG A 9 25.492 1.188 -3.905 1.00 0.00 C ATOM 147 CD ARG A 9 24.083 0.741 -3.510 1.00 0.00 C ATOM 148 NE ARG A 9 24.128 0.583 -2.025 1.00 0.00 N ATOM 149 CZ ARG A 9 23.876 1.599 -1.237 1.00 0.00 C ATOM 150 NH1 ARG A 9 23.601 2.774 -1.739 1.00 0.00 N ATOM 151 NH2 ARG A 9 23.910 1.438 0.057 1.00 0.00 N ATOM 0 H ARG A 9 26.918 2.955 -5.194 1.00 0.00 H new ATOM 0 HA ARG A 9 27.806 0.132 -5.093 1.00 0.00 H new ATOM 0 HB2 ARG A 9 25.227 1.512 -6.029 1.00 0.00 H new ATOM 0 HB3 ARG A 9 25.388 -0.175 -5.584 1.00 0.00 H new ATOM 0 HG2 ARG A 9 26.229 0.708 -3.262 1.00 0.00 H new ATOM 0 HG3 ARG A 9 25.596 2.263 -3.761 1.00 0.00 H new ATOM 0 HD2 ARG A 9 23.338 1.479 -3.806 1.00 0.00 H new ATOM 0 HD3 ARG A 9 23.815 -0.196 -3.998 1.00 0.00 H new ATOM 0 HE ARG A 9 24.357 -0.325 -1.621 1.00 0.00 H new ATOM 0 HH11 ARG A 9 23.582 2.905 -2.750 1.00 0.00 H new ATOM 0 HH12 ARG A 9 23.406 3.560 -1.119 1.00 0.00 H new ATOM 0 HH21 ARG A 9 24.132 0.524 0.452 1.00 0.00 H new ATOM 0 HH22 ARG A 9 23.715 2.226 0.674 1.00 0.00 H new ATOM 165 N ILE A 10 27.617 -0.578 -7.519 1.00 0.00 N ATOM 166 CA ILE A 10 27.917 -0.942 -8.923 1.00 0.00 C ATOM 167 C ILE A 10 27.034 -2.126 -9.348 1.00 0.00 C ATOM 168 O ILE A 10 26.335 -2.067 -10.340 1.00 0.00 O ATOM 169 CB ILE A 10 29.381 -1.358 -8.876 1.00 0.00 C ATOM 170 CG1 ILE A 10 30.214 -0.210 -8.304 1.00 0.00 C ATOM 171 CG2 ILE A 10 29.860 -1.708 -10.280 1.00 0.00 C ATOM 172 CD1 ILE A 10 31.701 -0.519 -8.470 1.00 0.00 C ATOM 0 H ILE A 10 27.464 -1.375 -6.902 1.00 0.00 H new ATOM 0 HA ILE A 10 27.731 -0.136 -9.633 1.00 0.00 H new ATOM 0 HB ILE A 10 29.494 -2.235 -8.238 1.00 0.00 H new ATOM 0 HG12 ILE A 10 29.967 0.721 -8.815 1.00 0.00 H new ATOM 0 HG13 ILE A 10 29.978 -0.067 -7.249 1.00 0.00 H new ATOM 0 HG21 ILE A 10 30.908 -2.005 -10.243 1.00 0.00 H new ATOM 0 HG22 ILE A 10 29.263 -2.531 -10.674 1.00 0.00 H new ATOM 0 HG23 ILE A 10 29.752 -0.839 -10.929 1.00 0.00 H new ATOM 0 HD11 ILE A 10 32.291 0.301 -8.061 1.00 0.00 H new ATOM 0 HD12 ILE A 10 31.943 -1.440 -7.939 1.00 0.00 H new ATOM 0 HD13 ILE A 10 31.932 -0.639 -9.528 1.00 0.00 H new ATOM 184 N CYS A 11 27.063 -3.201 -8.591 1.00 0.00 N ATOM 185 CA CYS A 11 26.225 -4.394 -8.937 1.00 0.00 C ATOM 186 C CYS A 11 24.888 -4.336 -8.197 1.00 0.00 C ATOM 187 O CYS A 11 24.549 -3.343 -7.582 1.00 0.00 O ATOM 188 CB CYS A 11 27.028 -5.626 -8.487 1.00 0.00 C ATOM 189 SG CYS A 11 27.109 -5.711 -6.676 1.00 0.00 S ATOM 0 H CYS A 11 27.631 -3.302 -7.750 1.00 0.00 H new ATOM 0 HA CYS A 11 26.006 -4.429 -10.004 1.00 0.00 H new ATOM 0 HB2 CYS A 11 26.564 -6.532 -8.878 1.00 0.00 H new ATOM 0 HB3 CYS A 11 28.036 -5.580 -8.900 1.00 0.00 H new ATOM 194 N ASP A 12 24.130 -5.398 -8.249 1.00 0.00 N ATOM 195 CA ASP A 12 22.814 -5.417 -7.546 1.00 0.00 C ATOM 196 C ASP A 12 23.018 -5.815 -6.083 1.00 0.00 C ATOM 197 O ASP A 12 22.140 -5.658 -5.259 1.00 0.00 O ATOM 198 CB ASP A 12 21.980 -6.476 -8.278 1.00 0.00 C ATOM 199 CG ASP A 12 22.009 -6.211 -9.787 1.00 0.00 C ATOM 200 OD1 ASP A 12 22.961 -6.634 -10.425 1.00 0.00 O ATOM 201 OD2 ASP A 12 21.078 -5.594 -10.279 1.00 0.00 O ATOM 0 H ASP A 12 24.366 -6.255 -8.749 1.00 0.00 H new ATOM 0 HA ASP A 12 22.324 -4.443 -7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 12 22.373 -7.471 -8.067 1.00 0.00 H new ATOM 0 HB3 ASP A 12 20.952 -6.456 -7.916 1.00 0.00 H new ATOM 206 N LYS A 13 24.173 -6.339 -5.760 1.00 0.00 N ATOM 207 CA LYS A 13 24.445 -6.763 -4.353 1.00 0.00 C ATOM 208 C LYS A 13 25.460 -5.828 -3.684 1.00 0.00 C ATOM 209 O LYS A 13 26.076 -6.179 -2.697 1.00 0.00 O ATOM 210 CB LYS A 13 25.025 -8.175 -4.473 1.00 0.00 C ATOM 211 CG LYS A 13 23.887 -9.198 -4.604 1.00 0.00 C ATOM 212 CD LYS A 13 23.741 -9.635 -6.068 1.00 0.00 C ATOM 213 CE LYS A 13 24.260 -11.070 -6.231 1.00 0.00 C ATOM 214 NZ LYS A 13 24.137 -11.366 -7.686 1.00 0.00 N ATOM 0 H LYS A 13 24.942 -6.492 -6.412 1.00 0.00 H new ATOM 0 HA LYS A 13 23.544 -6.733 -3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 13 25.682 -8.235 -5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 13 25.632 -8.404 -3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 13 24.092 -10.065 -3.976 1.00 0.00 H new ATOM 0 HG3 LYS A 13 22.952 -8.762 -4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 13 22.696 -9.579 -6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 13 24.299 -8.960 -6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 13 25.294 -11.155 -5.898 1.00 0.00 H new ATOM 0 HE3 LYS A 13 23.675 -11.771 -5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 24.474 -12.332 -7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 23.141 -11.285 -7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 24.710 -10.688 -8.228 1.00 0.00 H new ATOM 228 N CYS A 14 25.640 -4.641 -4.204 1.00 0.00 N ATOM 229 CA CYS A 14 26.618 -3.696 -3.576 1.00 0.00 C ATOM 230 C CYS A 14 26.161 -3.367 -2.152 1.00 0.00 C ATOM 231 O CYS A 14 25.116 -2.777 -1.952 1.00 0.00 O ATOM 232 CB CYS A 14 26.580 -2.424 -4.437 1.00 0.00 C ATOM 233 SG CYS A 14 28.064 -2.308 -5.469 1.00 0.00 S ATOM 0 H CYS A 14 25.158 -4.285 -5.029 1.00 0.00 H new ATOM 0 HA CYS A 14 27.621 -4.119 -3.525 1.00 0.00 H new ATOM 0 HB2 CYS A 14 25.691 -2.432 -5.068 1.00 0.00 H new ATOM 0 HB3 CYS A 14 26.507 -1.546 -3.795 1.00 0.00 H new ATOM 238 N LYS A 15 26.926 -3.744 -1.164 1.00 0.00 N ATOM 239 CA LYS A 15 26.517 -3.453 0.239 1.00 0.00 C ATOM 240 C LYS A 15 27.393 -2.360 0.855 1.00 0.00 C ATOM 241 O LYS A 15 28.503 -2.609 1.283 1.00 0.00 O ATOM 242 CB LYS A 15 26.714 -4.762 0.996 1.00 0.00 C ATOM 243 CG LYS A 15 25.763 -5.831 0.452 1.00 0.00 C ATOM 244 CD LYS A 15 25.357 -6.767 1.591 1.00 0.00 C ATOM 245 CE LYS A 15 24.256 -7.717 1.114 1.00 0.00 C ATOM 246 NZ LYS A 15 23.211 -7.649 2.173 1.00 0.00 N ATOM 0 H LYS A 15 27.812 -4.238 -1.267 1.00 0.00 H new ATOM 0 HA LYS A 15 25.488 -3.095 0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 15 27.746 -5.097 0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 15 26.530 -4.608 2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 15 24.880 -5.363 0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 15 26.248 -6.396 -0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 15 26.221 -7.338 1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 15 25.005 -6.186 2.443 1.00 0.00 H new ATOM 0 HE2 LYS A 15 23.860 -7.409 0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 15 24.634 -8.733 0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 22.419 -8.274 1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 23.617 -7.954 3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 22.866 -6.671 2.258 1.00 0.00 H new ATOM 260 N VAL A 16 26.884 -1.162 0.929 1.00 0.00 N ATOM 261 CA VAL A 16 27.662 -0.053 1.554 1.00 0.00 C ATOM 262 C VAL A 16 27.344 -0.039 3.052 1.00 0.00 C ATOM 263 O VAL A 16 26.278 0.382 3.462 1.00 0.00 O ATOM 264 CB VAL A 16 27.165 1.231 0.875 1.00 0.00 C ATOM 265 CG1 VAL A 16 27.707 2.447 1.630 1.00 0.00 C ATOM 266 CG2 VAL A 16 27.654 1.278 -0.580 1.00 0.00 C ATOM 0 H VAL A 16 25.961 -0.901 0.583 1.00 0.00 H new ATOM 0 HA VAL A 16 28.740 -0.158 1.434 1.00 0.00 H new ATOM 0 HB VAL A 16 26.075 1.243 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 16 27.355 3.360 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 16 27.356 2.421 2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 16 28.797 2.427 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 16 27.297 2.192 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 16 28.744 1.261 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 16 27.269 0.414 -1.121 1.00 0.00 H new ATOM 276 N ILE A 17 28.240 -0.527 3.869 1.00 0.00 N ATOM 277 CA ILE A 17 27.962 -0.573 5.338 1.00 0.00 C ATOM 278 C ILE A 17 28.809 0.456 6.091 1.00 0.00 C ATOM 279 O ILE A 17 29.977 0.644 5.807 1.00 0.00 O ATOM 280 CB ILE A 17 28.312 -2.006 5.797 1.00 0.00 C ATOM 281 CG1 ILE A 17 28.908 -2.835 4.642 1.00 0.00 C ATOM 282 CG2 ILE A 17 27.041 -2.698 6.298 1.00 0.00 C ATOM 283 CD1 ILE A 17 30.354 -2.418 4.392 1.00 0.00 C ATOM 0 H ILE A 17 29.149 -0.894 3.586 1.00 0.00 H new ATOM 0 HA ILE A 17 26.920 -0.331 5.546 1.00 0.00 H new ATOM 0 HB ILE A 17 29.053 -1.937 6.593 1.00 0.00 H new ATOM 0 HG12 ILE A 17 28.864 -3.897 4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 17 28.318 -2.690 3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 17 27.282 -3.710 6.623 1.00 0.00 H new ATOM 0 HG22 ILE A 17 26.627 -2.136 7.135 1.00 0.00 H new ATOM 0 HG23 ILE A 17 26.308 -2.741 5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 17 30.767 -3.009 3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 17 30.387 -1.361 4.129 1.00 0.00 H new ATOM 0 HD13 ILE A 17 30.942 -2.586 5.294 1.00 0.00 H new ATOM 295 N ARG A 18 28.222 1.119 7.056 1.00 0.00 N ATOM 296 CA ARG A 18 28.976 2.138 7.846 1.00 0.00 C ATOM 297 C ARG A 18 29.456 1.532 9.169 1.00 0.00 C ATOM 298 O ARG A 18 28.823 0.655 9.727 1.00 0.00 O ATOM 299 CB ARG A 18 27.972 3.263 8.113 1.00 0.00 C ATOM 300 CG ARG A 18 27.708 4.047 6.821 1.00 0.00 C ATOM 301 CD ARG A 18 27.030 5.382 7.159 1.00 0.00 C ATOM 302 NE ARG A 18 26.154 5.695 5.989 1.00 0.00 N ATOM 303 CZ ARG A 18 24.992 5.107 5.853 1.00 0.00 C ATOM 304 NH1 ARG A 18 24.601 4.214 6.721 1.00 0.00 N ATOM 305 NH2 ARG A 18 24.221 5.414 4.845 1.00 0.00 N ATOM 0 H ARG A 18 27.247 0.997 7.331 1.00 0.00 H new ATOM 0 HA ARG A 18 29.859 2.495 7.316 1.00 0.00 H new ATOM 0 HB2 ARG A 18 27.039 2.847 8.493 1.00 0.00 H new ATOM 0 HB3 ARG A 18 28.359 3.932 8.882 1.00 0.00 H new ATOM 0 HG2 ARG A 18 28.645 4.227 6.295 1.00 0.00 H new ATOM 0 HG3 ARG A 18 27.074 3.464 6.153 1.00 0.00 H new ATOM 0 HD2 ARG A 18 26.446 5.304 8.076 1.00 0.00 H new ATOM 0 HD3 ARG A 18 27.769 6.168 7.317 1.00 0.00 H new ATOM 0 HE ARG A 18 26.464 6.372 5.291 1.00 0.00 H new ATOM 0 HH11 ARG A 18 25.201 3.972 7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 18 23.695 3.758 6.611 1.00 0.00 H new ATOM 0 HH21 ARG A 18 24.524 6.111 4.165 1.00 0.00 H new ATOM 0 HH22 ARG A 18 23.316 4.957 4.738 1.00 0.00 H new ATOM 319 N ARG A 19 30.568 2.001 9.673 1.00 0.00 N ATOM 320 CA ARG A 19 31.105 1.472 10.963 1.00 0.00 C ATOM 321 C ARG A 19 31.903 2.571 11.684 1.00 0.00 C ATOM 322 O ARG A 19 31.645 3.745 11.508 1.00 0.00 O ATOM 323 CB ARG A 19 32.013 0.298 10.571 1.00 0.00 C ATOM 324 CG ARG A 19 32.022 -0.752 11.694 1.00 0.00 C ATOM 325 CD ARG A 19 32.105 -2.161 11.091 1.00 0.00 C ATOM 326 NE ARG A 19 31.598 -3.071 12.161 1.00 0.00 N ATOM 327 CZ ARG A 19 31.694 -4.371 12.029 1.00 0.00 C ATOM 328 NH1 ARG A 19 32.246 -4.887 10.963 1.00 0.00 N ATOM 329 NH2 ARG A 19 31.238 -5.155 12.969 1.00 0.00 N ATOM 0 H ARG A 19 31.132 2.734 9.243 1.00 0.00 H new ATOM 0 HA ARG A 19 30.317 1.153 11.645 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.660 -0.152 9.643 1.00 0.00 H new ATOM 0 HB3 ARG A 19 33.026 0.656 10.387 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.870 -0.580 12.357 1.00 0.00 H new ATOM 0 HG3 ARG A 19 31.120 -0.658 12.299 1.00 0.00 H new ATOM 0 HD2 ARG A 19 31.501 -2.240 10.187 1.00 0.00 H new ATOM 0 HD3 ARG A 19 33.129 -2.411 10.813 1.00 0.00 H new ATOM 0 HE ARG A 19 31.174 -2.678 13.001 1.00 0.00 H new ATOM 0 HH11 ARG A 19 32.605 -4.277 10.228 1.00 0.00 H new ATOM 0 HH12 ARG A 19 32.318 -5.900 10.865 1.00 0.00 H new ATOM 0 HH21 ARG A 19 30.808 -4.755 13.803 1.00 0.00 H new ATOM 0 HH22 ARG A 19 31.311 -6.167 12.869 1.00 0.00 H new ATOM 343 N HIS A 20 32.859 2.188 12.495 1.00 0.00 N ATOM 344 CA HIS A 20 33.689 3.183 13.258 1.00 0.00 C ATOM 345 C HIS A 20 34.119 4.364 12.375 1.00 0.00 C ATOM 346 O HIS A 20 35.203 4.373 11.824 1.00 0.00 O ATOM 347 CB HIS A 20 34.921 2.394 13.699 1.00 0.00 C ATOM 348 CG HIS A 20 34.563 1.470 14.832 1.00 0.00 C ATOM 349 ND1 HIS A 20 35.471 1.134 15.824 1.00 0.00 N ATOM 350 CD2 HIS A 20 33.404 0.802 15.142 1.00 0.00 C ATOM 351 CE1 HIS A 20 34.849 0.299 16.676 1.00 0.00 C ATOM 352 NE2 HIS A 20 33.586 0.063 16.307 1.00 0.00 N ATOM 0 H HIS A 20 33.106 1.213 12.666 1.00 0.00 H new ATOM 0 HA HIS A 20 33.129 3.612 14.089 1.00 0.00 H new ATOM 0 HB2 HIS A 20 35.314 1.819 12.860 1.00 0.00 H new ATOM 0 HB3 HIS A 20 35.709 3.079 14.013 1.00 0.00 H new ATOM 0 HD2 HIS A 20 32.490 0.844 14.569 1.00 0.00 H new ATOM 0 HE1 HIS A 20 35.314 -0.129 17.552 1.00 0.00 H new ATOM 0 HE2 HIS A 20 32.903 -0.531 16.778 1.00 0.00 H new ATOM 360 N GLY A 21 33.280 5.361 12.249 1.00 0.00 N ATOM 361 CA GLY A 21 33.627 6.551 11.412 1.00 0.00 C ATOM 362 C GLY A 21 34.166 6.102 10.049 1.00 0.00 C ATOM 363 O GLY A 21 34.771 6.876 9.331 1.00 0.00 O ATOM 0 H GLY A 21 32.363 5.402 12.693 1.00 0.00 H new ATOM 0 HA2 GLY A 21 32.745 7.177 11.274 1.00 0.00 H new ATOM 0 HA3 GLY A 21 34.373 7.159 11.924 1.00 0.00 H new ATOM 367 N ARG A 22 33.958 4.861 9.689 1.00 0.00 N ATOM 368 CA ARG A 22 34.465 4.365 8.373 1.00 0.00 C ATOM 369 C ARG A 22 33.368 3.588 7.646 1.00 0.00 C ATOM 370 O ARG A 22 32.454 3.082 8.257 1.00 0.00 O ATOM 371 CB ARG A 22 35.635 3.440 8.720 1.00 0.00 C ATOM 372 CG ARG A 22 36.959 4.177 8.499 1.00 0.00 C ATOM 373 CD ARG A 22 38.107 3.163 8.407 1.00 0.00 C ATOM 374 NE ARG A 22 39.009 3.688 7.338 1.00 0.00 N ATOM 375 CZ ARG A 22 39.887 4.622 7.607 1.00 0.00 C ATOM 376 NH1 ARG A 22 39.971 5.120 8.814 1.00 0.00 N ATOM 377 NH2 ARG A 22 40.675 5.062 6.662 1.00 0.00 N ATOM 0 H ARG A 22 33.459 4.170 10.249 1.00 0.00 H new ATOM 0 HA ARG A 22 34.770 5.179 7.715 1.00 0.00 H new ATOM 0 HB2 ARG A 22 35.558 3.114 9.757 1.00 0.00 H new ATOM 0 HB3 ARG A 22 35.599 2.544 8.101 1.00 0.00 H new ATOM 0 HG2 ARG A 22 36.909 4.768 7.584 1.00 0.00 H new ATOM 0 HG3 ARG A 22 37.140 4.873 9.318 1.00 0.00 H new ATOM 0 HD2 ARG A 22 38.633 3.076 9.358 1.00 0.00 H new ATOM 0 HD3 ARG A 22 37.736 2.169 8.156 1.00 0.00 H new ATOM 0 HE ARG A 22 38.941 3.316 6.391 1.00 0.00 H new ATOM 0 HH11 ARG A 22 39.351 4.781 9.550 1.00 0.00 H new ATOM 0 HH12 ARG A 22 40.656 5.847 9.019 1.00 0.00 H new ATOM 0 HH21 ARG A 22 40.605 4.678 5.720 1.00 0.00 H new ATOM 0 HH22 ARG A 22 41.360 5.789 6.867 1.00 0.00 H new ATOM 391 N VAL A 23 33.452 3.491 6.346 1.00 0.00 N ATOM 392 CA VAL A 23 32.411 2.744 5.579 1.00 0.00 C ATOM 393 C VAL A 23 33.084 1.795 4.585 1.00 0.00 C ATOM 394 O VAL A 23 34.211 2.006 4.188 1.00 0.00 O ATOM 395 CB VAL A 23 31.615 3.818 4.830 1.00 0.00 C ATOM 396 CG1 VAL A 23 30.318 3.214 4.284 1.00 0.00 C ATOM 397 CG2 VAL A 23 31.277 4.975 5.778 1.00 0.00 C ATOM 0 H VAL A 23 34.197 3.897 5.781 1.00 0.00 H new ATOM 0 HA VAL A 23 31.772 2.143 6.226 1.00 0.00 H new ATOM 0 HB VAL A 23 32.218 4.193 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 23 29.755 3.981 3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 23 30.556 2.399 3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 23 29.719 2.832 5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 23 30.711 5.734 5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 23 30.680 4.601 6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 23 32.199 5.413 6.161 1.00 0.00 H new ATOM 407 N TYR A 24 32.399 0.762 4.172 1.00 0.00 N ATOM 408 CA TYR A 24 33.004 -0.194 3.189 1.00 0.00 C ATOM 409 C TYR A 24 31.979 -0.606 2.140 1.00 0.00 C ATOM 410 O TYR A 24 30.803 -0.322 2.251 1.00 0.00 O ATOM 411 CB TYR A 24 33.429 -1.443 3.976 1.00 0.00 C ATOM 412 CG TYR A 24 33.860 -1.083 5.375 1.00 0.00 C ATOM 413 CD1 TYR A 24 34.982 -0.275 5.581 1.00 0.00 C ATOM 414 CD2 TYR A 24 33.136 -1.571 6.466 1.00 0.00 C ATOM 415 CE1 TYR A 24 35.381 0.050 6.880 1.00 0.00 C ATOM 416 CE2 TYR A 24 33.533 -1.246 7.767 1.00 0.00 C ATOM 417 CZ TYR A 24 34.655 -0.435 7.975 1.00 0.00 C ATOM 418 OH TYR A 24 35.047 -0.115 9.258 1.00 0.00 O ATOM 0 H TYR A 24 31.450 0.536 4.469 1.00 0.00 H new ATOM 0 HA TYR A 24 33.847 0.276 2.683 1.00 0.00 H new ATOM 0 HB2 TYR A 24 32.600 -2.149 4.018 1.00 0.00 H new ATOM 0 HB3 TYR A 24 34.247 -1.942 3.457 1.00 0.00 H new ATOM 0 HD1 TYR A 24 35.541 0.098 4.736 1.00 0.00 H new ATOM 0 HD2 TYR A 24 32.272 -2.198 6.305 1.00 0.00 H new ATOM 0 HE1 TYR A 24 36.248 0.674 7.039 1.00 0.00 H new ATOM 0 HE2 TYR A 24 32.974 -1.621 8.612 1.00 0.00 H new ATOM 0 HH TYR A 24 35.682 0.631 9.230 1.00 0.00 H new ATOM 428 N VAL A 25 32.432 -1.306 1.139 1.00 0.00 N ATOM 429 CA VAL A 25 31.523 -1.795 0.070 1.00 0.00 C ATOM 430 C VAL A 25 31.816 -3.264 -0.173 1.00 0.00 C ATOM 431 O VAL A 25 32.803 -3.601 -0.794 1.00 0.00 O ATOM 432 CB VAL A 25 31.882 -0.991 -1.172 1.00 0.00 C ATOM 433 CG1 VAL A 25 31.085 -1.521 -2.364 1.00 0.00 C ATOM 434 CG2 VAL A 25 31.548 0.476 -0.937 1.00 0.00 C ATOM 0 H VAL A 25 33.411 -1.564 1.016 1.00 0.00 H new ATOM 0 HA VAL A 25 30.470 -1.683 0.330 1.00 0.00 H new ATOM 0 HB VAL A 25 32.948 -1.088 -1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 25 31.339 -0.948 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 25 31.328 -2.571 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 25 30.019 -1.423 -2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.804 1.054 -1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 25 30.482 0.578 -0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 25 32.118 0.847 -0.085 1.00 0.00 H new ATOM 444 N ILE A 26 30.992 -4.142 0.316 1.00 0.00 N ATOM 445 CA ILE A 26 31.266 -5.583 0.111 1.00 0.00 C ATOM 446 C ILE A 26 30.221 -6.210 -0.825 1.00 0.00 C ATOM 447 O ILE A 26 29.035 -5.960 -0.716 1.00 0.00 O ATOM 448 CB ILE A 26 31.219 -6.194 1.522 1.00 0.00 C ATOM 449 CG1 ILE A 26 29.788 -6.142 2.074 1.00 0.00 C ATOM 450 CG2 ILE A 26 32.152 -5.406 2.460 1.00 0.00 C ATOM 451 CD1 ILE A 26 29.753 -6.756 3.477 1.00 0.00 C ATOM 0 H ILE A 26 30.147 -3.925 0.845 1.00 0.00 H new ATOM 0 HA ILE A 26 32.228 -5.763 -0.369 1.00 0.00 H new ATOM 0 HB ILE A 26 31.545 -7.233 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 26 29.439 -5.110 2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 26 29.113 -6.684 1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 26 32.116 -5.841 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 26 33.173 -5.452 2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 26 31.828 -4.366 2.506 1.00 0.00 H new ATOM 0 HD11 ILE A 26 28.735 -6.717 3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 26 30.084 -7.793 3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 26 30.415 -6.195 4.136 1.00 0.00 H new ATOM 463 N CYS A 27 30.670 -7.019 -1.752 1.00 0.00 N ATOM 464 CA CYS A 27 29.730 -7.682 -2.711 1.00 0.00 C ATOM 465 C CYS A 27 30.129 -9.143 -2.891 1.00 0.00 C ATOM 466 O CYS A 27 31.251 -9.518 -2.610 1.00 0.00 O ATOM 467 CB CYS A 27 29.934 -6.984 -4.052 1.00 0.00 C ATOM 468 SG CYS A 27 29.632 -5.225 -3.892 1.00 0.00 S ATOM 0 H CYS A 27 31.654 -7.251 -1.887 1.00 0.00 H new ATOM 0 HA CYS A 27 28.702 -7.624 -2.353 1.00 0.00 H new ATOM 0 HB2 CYS A 27 30.950 -7.154 -4.407 1.00 0.00 H new ATOM 0 HB3 CYS A 27 29.261 -7.409 -4.797 1.00 0.00 H new ATOM 473 N GLU A 28 29.258 -9.959 -3.428 1.00 0.00 N ATOM 474 CA GLU A 28 29.657 -11.371 -3.696 1.00 0.00 C ATOM 475 C GLU A 28 30.813 -11.303 -4.699 1.00 0.00 C ATOM 476 O GLU A 28 31.621 -12.202 -4.828 1.00 0.00 O ATOM 477 CB GLU A 28 28.413 -12.033 -4.309 1.00 0.00 C ATOM 478 CG GLU A 28 28.798 -13.339 -5.015 1.00 0.00 C ATOM 479 CD GLU A 28 27.533 -14.029 -5.535 1.00 0.00 C ATOM 480 OE1 GLU A 28 26.971 -13.543 -6.505 1.00 0.00 O ATOM 481 OE2 GLU A 28 27.144 -15.029 -4.952 1.00 0.00 O ATOM 0 H GLU A 28 28.303 -9.713 -3.689 1.00 0.00 H new ATOM 0 HA GLU A 28 29.980 -11.933 -2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 28 27.679 -12.236 -3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.943 -11.353 -5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 28 29.478 -13.132 -5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.326 -13.996 -4.324 1.00 0.00 H new ATOM 488 N ASN A 29 30.885 -10.188 -5.381 1.00 0.00 N ATOM 489 CA ASN A 29 31.962 -9.931 -6.375 1.00 0.00 C ATOM 490 C ASN A 29 33.075 -9.113 -5.687 1.00 0.00 C ATOM 491 O ASN A 29 32.841 -8.005 -5.237 1.00 0.00 O ATOM 492 CB ASN A 29 31.243 -9.128 -7.469 1.00 0.00 C ATOM 493 CG ASN A 29 32.198 -8.152 -8.155 1.00 0.00 C ATOM 494 OD1 ASN A 29 33.367 -8.435 -8.321 1.00 0.00 O ATOM 495 ND2 ASN A 29 31.732 -7.003 -8.564 1.00 0.00 N ATOM 0 H ASN A 29 30.218 -9.423 -5.283 1.00 0.00 H new ATOM 0 HA ASN A 29 32.439 -10.823 -6.782 1.00 0.00 H new ATOM 0 HB2 ASN A 29 30.823 -9.810 -8.208 1.00 0.00 H new ATOM 0 HB3 ASN A 29 30.409 -8.579 -7.032 1.00 0.00 H new ATOM 0 HD21 ASN A 29 32.351 -6.337 -9.026 1.00 0.00 H new ATOM 0 HD22 ASN A 29 30.749 -6.771 -8.421 1.00 0.00 H new ATOM 502 N PRO A 30 34.246 -9.697 -5.593 1.00 0.00 N ATOM 503 CA PRO A 30 35.385 -9.023 -4.905 1.00 0.00 C ATOM 504 C PRO A 30 35.851 -7.763 -5.643 1.00 0.00 C ATOM 505 O PRO A 30 36.566 -6.953 -5.089 1.00 0.00 O ATOM 506 CB PRO A 30 36.478 -10.092 -4.894 1.00 0.00 C ATOM 507 CG PRO A 30 36.135 -10.996 -6.032 1.00 0.00 C ATOM 508 CD PRO A 30 34.633 -11.014 -6.119 1.00 0.00 C ATOM 0 HA PRO A 30 35.113 -8.673 -3.909 1.00 0.00 H new ATOM 0 HB2 PRO A 30 37.466 -9.650 -5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 30 36.493 -10.634 -3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 30 36.574 -10.634 -6.962 1.00 0.00 H new ATOM 0 HG3 PRO A 30 36.527 -11.999 -5.863 1.00 0.00 H new ATOM 0 HD2 PRO A 30 34.291 -11.153 -7.145 1.00 0.00 H new ATOM 0 HD3 PRO A 30 34.206 -11.824 -5.528 1.00 0.00 H new ATOM 516 N LYS A 31 35.465 -7.576 -6.875 1.00 0.00 N ATOM 517 CA LYS A 31 35.917 -6.351 -7.600 1.00 0.00 C ATOM 518 C LYS A 31 35.256 -5.106 -7.001 1.00 0.00 C ATOM 519 O LYS A 31 35.563 -3.993 -7.382 1.00 0.00 O ATOM 520 CB LYS A 31 35.480 -6.539 -9.057 1.00 0.00 C ATOM 521 CG LYS A 31 36.045 -7.853 -9.611 1.00 0.00 C ATOM 522 CD LYS A 31 37.556 -7.718 -9.815 1.00 0.00 C ATOM 523 CE LYS A 31 38.107 -9.009 -10.425 1.00 0.00 C ATOM 524 NZ LYS A 31 39.585 -8.820 -10.459 1.00 0.00 N ATOM 0 H LYS A 31 34.865 -8.207 -7.406 1.00 0.00 H new ATOM 0 HA LYS A 31 36.995 -6.213 -7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 31 34.392 -6.547 -9.120 1.00 0.00 H new ATOM 0 HB3 LYS A 31 35.829 -5.701 -9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 31 35.833 -8.671 -8.922 1.00 0.00 H new ATOM 0 HG3 LYS A 31 35.561 -8.099 -10.556 1.00 0.00 H new ATOM 0 HD2 LYS A 31 37.771 -6.873 -10.470 1.00 0.00 H new ATOM 0 HD3 LYS A 31 38.046 -7.516 -8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 31 37.834 -9.877 -9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 31 37.707 -9.175 -11.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 40.034 -9.666 -10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 39.816 -7.991 -11.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 39.938 -8.671 -9.492 1.00 0.00 H new ATOM 538 N HIS A 32 34.344 -5.281 -6.075 1.00 0.00 N ATOM 539 CA HIS A 32 33.660 -4.096 -5.470 1.00 0.00 C ATOM 540 C HIS A 32 34.070 -3.892 -4.011 1.00 0.00 C ATOM 541 O HIS A 32 33.476 -3.093 -3.315 1.00 0.00 O ATOM 542 CB HIS A 32 32.170 -4.417 -5.533 1.00 0.00 C ATOM 543 CG HIS A 32 31.681 -4.339 -6.949 1.00 0.00 C ATOM 544 ND1 HIS A 32 30.329 -4.352 -7.248 1.00 0.00 N ATOM 545 CD2 HIS A 32 32.340 -4.280 -8.152 1.00 0.00 C ATOM 546 CE1 HIS A 32 30.226 -4.311 -8.594 1.00 0.00 C ATOM 547 NE2 HIS A 32 31.419 -4.267 -9.185 1.00 0.00 N ATOM 0 H HIS A 32 34.046 -6.187 -5.714 1.00 0.00 H new ATOM 0 HA HIS A 32 33.924 -3.183 -6.004 1.00 0.00 H new ATOM 0 HB2 HIS A 32 31.989 -5.414 -5.133 1.00 0.00 H new ATOM 0 HB3 HIS A 32 31.613 -3.717 -4.910 1.00 0.00 H new ATOM 0 HD2 HIS A 32 33.413 -4.249 -8.274 1.00 0.00 H new ATOM 0 HE1 HIS A 32 29.287 -4.314 -9.128 1.00 0.00 H new ATOM 0 HE2 HIS A 32 31.613 -4.231 -10.186 1.00 0.00 H new ATOM 555 N LYS A 33 35.064 -4.589 -3.528 1.00 0.00 N ATOM 556 CA LYS A 33 35.461 -4.388 -2.105 1.00 0.00 C ATOM 557 C LYS A 33 36.150 -3.026 -1.956 1.00 0.00 C ATOM 558 O LYS A 33 37.343 -2.894 -2.147 1.00 0.00 O ATOM 559 CB LYS A 33 36.399 -5.554 -1.768 1.00 0.00 C ATOM 560 CG LYS A 33 37.522 -5.660 -2.806 1.00 0.00 C ATOM 561 CD LYS A 33 38.854 -5.236 -2.182 1.00 0.00 C ATOM 562 CE LYS A 33 39.634 -6.475 -1.725 1.00 0.00 C ATOM 563 NZ LYS A 33 38.910 -6.966 -0.518 1.00 0.00 N ATOM 0 H LYS A 33 35.610 -5.277 -4.047 1.00 0.00 H new ATOM 0 HA LYS A 33 34.611 -4.381 -1.423 1.00 0.00 H new ATOM 0 HB2 LYS A 33 36.826 -5.409 -0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 33 35.834 -6.486 -1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 33 37.593 -6.684 -3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 33 37.296 -5.028 -3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 33 39.442 -4.672 -2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 33 38.674 -4.575 -1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 33 39.659 -7.235 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 33 40.669 -6.225 -1.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.517 -7.629 0.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 38.670 -6.160 0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 38.038 -7.451 -0.810 1.00 0.00 H new ATOM 577 N GLN A 34 35.394 -2.004 -1.631 1.00 0.00 N ATOM 578 CA GLN A 34 35.994 -0.637 -1.486 1.00 0.00 C ATOM 579 C GLN A 34 35.787 -0.122 -0.062 1.00 0.00 C ATOM 580 O GLN A 34 34.670 0.095 0.366 1.00 0.00 O ATOM 581 CB GLN A 34 35.238 0.273 -2.470 1.00 0.00 C ATOM 582 CG GLN A 34 34.725 -0.529 -3.668 1.00 0.00 C ATOM 583 CD GLN A 34 34.743 0.347 -4.921 1.00 0.00 C ATOM 584 OE1 GLN A 34 35.748 0.443 -5.594 1.00 0.00 O ATOM 585 NE2 GLN A 34 33.664 0.996 -5.267 1.00 0.00 N ATOM 0 H GLN A 34 34.390 -2.056 -1.460 1.00 0.00 H new ATOM 0 HA GLN A 34 37.065 -0.655 -1.690 1.00 0.00 H new ATOM 0 HB2 GLN A 34 34.401 0.750 -1.961 1.00 0.00 H new ATOM 0 HB3 GLN A 34 35.897 1.070 -2.815 1.00 0.00 H new ATOM 0 HG2 GLN A 34 35.347 -1.411 -3.820 1.00 0.00 H new ATOM 0 HG3 GLN A 34 33.712 -0.883 -3.474 1.00 0.00 H new ATOM 0 HE21 GLN A 34 32.818 0.917 -4.703 1.00 0.00 H new ATOM 0 HE22 GLN A 34 33.667 1.582 -6.102 1.00 0.00 H new ATOM 594 N ARG A 35 36.845 0.090 0.674 1.00 0.00 N ATOM 595 CA ARG A 35 36.684 0.605 2.063 1.00 0.00 C ATOM 596 C ARG A 35 36.806 2.138 2.070 1.00 0.00 C ATOM 597 O ARG A 35 37.881 2.695 1.982 1.00 0.00 O ATOM 598 CB ARG A 35 37.780 -0.091 2.896 1.00 0.00 C ATOM 599 CG ARG A 35 39.166 0.503 2.610 1.00 0.00 C ATOM 600 CD ARG A 35 39.528 1.512 3.710 1.00 0.00 C ATOM 601 NE ARG A 35 40.840 1.052 4.256 1.00 0.00 N ATOM 602 CZ ARG A 35 41.953 1.322 3.622 1.00 0.00 C ATOM 603 NH1 ARG A 35 41.927 1.991 2.501 1.00 0.00 N ATOM 604 NH2 ARG A 35 43.094 0.919 4.113 1.00 0.00 N ATOM 0 H ARG A 35 37.807 -0.070 0.376 1.00 0.00 H new ATOM 0 HA ARG A 35 35.704 0.387 2.486 1.00 0.00 H new ATOM 0 HB2 ARG A 35 37.551 0.010 3.957 1.00 0.00 H new ATOM 0 HB3 ARG A 35 37.787 -1.158 2.672 1.00 0.00 H new ATOM 0 HG2 ARG A 35 39.912 -0.291 2.570 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.169 0.993 1.637 1.00 0.00 H new ATOM 0 HD2 ARG A 35 39.603 2.522 3.307 1.00 0.00 H new ATOM 0 HD3 ARG A 35 38.765 1.535 4.488 1.00 0.00 H new ATOM 0 HE ARG A 35 40.869 0.524 5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 35 41.037 2.306 2.115 1.00 0.00 H new ATOM 0 HH12 ARG A 35 42.797 2.199 2.011 1.00 0.00 H new ATOM 0 HH21 ARG A 35 43.116 0.395 4.988 1.00 0.00 H new ATOM 0 HH22 ARG A 35 43.963 1.128 3.621 1.00 0.00 H new ATOM 618 N GLN A 36 35.693 2.824 2.155 1.00 0.00 N ATOM 619 CA GLN A 36 35.722 4.320 2.161 1.00 0.00 C ATOM 620 C GLN A 36 36.806 4.831 3.120 1.00 0.00 C ATOM 621 O GLN A 36 36.992 4.299 4.199 1.00 0.00 O ATOM 622 CB GLN A 36 34.335 4.738 2.658 1.00 0.00 C ATOM 623 CG GLN A 36 34.036 6.176 2.226 1.00 0.00 C ATOM 624 CD GLN A 36 32.871 6.722 3.055 1.00 0.00 C ATOM 625 OE1 GLN A 36 31.731 6.652 2.642 1.00 0.00 O ATOM 626 NE2 GLN A 36 33.111 7.265 4.217 1.00 0.00 N ATOM 0 H GLN A 36 34.763 2.411 2.221 1.00 0.00 H new ATOM 0 HA GLN A 36 35.950 4.730 1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 36 33.578 4.064 2.257 1.00 0.00 H new ATOM 0 HB3 GLN A 36 34.290 4.659 3.744 1.00 0.00 H new ATOM 0 HG2 GLN A 36 34.919 6.800 2.363 1.00 0.00 H new ATOM 0 HG3 GLN A 36 33.787 6.205 1.165 1.00 0.00 H new ATOM 0 HE21 GLN A 36 34.068 7.324 4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 36 32.341 7.630 4.778 1.00 0.00 H new ATOM 635 N GLY A 37 37.521 5.855 2.733 1.00 0.00 N ATOM 636 CA GLY A 37 38.594 6.403 3.614 1.00 0.00 C ATOM 637 C GLY A 37 39.953 5.870 3.157 1.00 0.00 C ATOM 638 O GLY A 37 40.353 4.824 3.647 1.00 0.00 O ATOM 639 OXT GLY A 37 40.572 6.516 2.325 1.00 0.00 O ATOM 0 H GLY A 37 37.407 6.337 1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 37 38.588 7.492 3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 37 38.409 6.118 4.650 1.00 0.00 H new TER 643 GLY A 37 HETATM 644 ZN ZN A 38 28.845 -4.414 -5.894 1.00 0.00 ZN