USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 599 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 224 ASN : amide:sc= -1.72! C(o=-2.2!,f=-2.2!) USER MOD Set 1.2: A 232 THR OG1 : rot 180:sc= -0.447 USER MOD Set 2.1: A 206 THR OG1 : rot 37:sc= 0.292 USER MOD Set 2.2: A 208 GLN : amide:sc= -4.53! C(o=-4.2!,f=-8.9!) USER MOD Set 3.1: A 194 HIS : no HD1:sc= -3.18! C(o=-2.4!,f=-2!) USER MOD Set 3.2: A 197 TYR OH : rot 73:sc= 0.826 USER MOD Set 4.1: A 182 HIS : no HD1:sc=-0.00847 X(o=-0.0085,f=-0.091) USER MOD Set 4.2: A 186 MET CE :methyl -165:sc= 0 (180deg=0) USER MOD Single : A 180 LYS NZ :NH3+ 166:sc= -0.0338 (180deg=-0.318) USER MOD Single : A 181 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.39) USER MOD Single : A 189 SER OG : rot -53:sc= 0.517 USER MOD Single : A 193 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.124) USER MOD Single : A 195 GLN : amide:sc= -6.19! C(o=-6.2!,f=-5.5!) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 198 ASN : amide:sc= -4.28! C(o=-4.3!,f=-18!) USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 207 LYS NZ :NH3+ 158:sc= -0.0635 (180deg=-0.563) USER MOD Single : A 212 TYR OH : rot 14:sc= -2.51! USER MOD Single : A 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ 161:sc= -0.0613 (180deg=-0.447) USER MOD Single : A 223 GLN : amide:sc= -14.2! C(o=-14!,f=-2.3!) USER MOD Single : A 226 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 229 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 230 LYS NZ :NH3+ -105:sc= -2.45! (180deg=-5.49!) USER MOD Single : A 231 ASN : amide:sc= -0.0798 X(o=-0.08,f=-0.08) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 239 TYR OH : rot -16:sc= -0.137 USER MOD Single : A 241 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 242 TYR OH : rot 132:sc= 0.852 USER MOD Single : A 243 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 4.324 -8.549 -13.797 1.00 0.00 N ATOM 2 CA ARG A 175 4.153 -9.428 -12.608 1.00 0.00 C ATOM 3 C ARG A 175 2.997 -8.908 -11.748 1.00 0.00 C ATOM 4 O ARG A 175 2.534 -7.797 -11.920 1.00 0.00 O ATOM 5 CB ARG A 175 5.460 -9.472 -11.804 1.00 0.00 C ATOM 6 CG ARG A 175 5.690 -8.161 -11.052 1.00 0.00 C ATOM 7 CD ARG A 175 5.569 -6.961 -12.000 1.00 0.00 C ATOM 8 NE ARG A 175 6.310 -7.242 -13.259 1.00 0.00 N ATOM 9 CZ ARG A 175 6.080 -6.527 -14.327 1.00 0.00 C ATOM 10 NH1 ARG A 175 5.212 -5.552 -14.294 1.00 0.00 N ATOM 11 NH2 ARG A 175 6.721 -6.788 -15.433 1.00 0.00 N ATOM 0 HA ARG A 175 3.915 -10.442 -12.930 1.00 0.00 H new ATOM 0 HB2 ARG A 175 5.427 -10.300 -11.096 1.00 0.00 H new ATOM 0 HB3 ARG A 175 6.297 -9.661 -12.476 1.00 0.00 H new ATOM 0 HG2 ARG A 175 4.964 -8.067 -10.245 1.00 0.00 H new ATOM 0 HG3 ARG A 175 6.678 -8.169 -10.592 1.00 0.00 H new ATOM 0 HD2 ARG A 175 4.520 -6.763 -12.220 1.00 0.00 H new ATOM 0 HD3 ARG A 175 5.969 -6.066 -11.523 1.00 0.00 H new ATOM 0 HE ARG A 175 6.998 -7.994 -13.288 1.00 0.00 H new ATOM 0 HH11 ARG A 175 4.710 -5.346 -13.431 1.00 0.00 H new ATOM 0 HH12 ARG A 175 5.037 -4.997 -15.132 1.00 0.00 H new ATOM 0 HH21 ARG A 175 7.400 -7.549 -15.462 1.00 0.00 H new ATOM 0 HH22 ARG A 175 6.543 -6.231 -16.269 1.00 0.00 H new ATOM 25 N ALA A 176 2.496 -9.719 -10.848 1.00 0.00 N ATOM 26 CA ALA A 176 1.343 -9.290 -9.990 1.00 0.00 C ATOM 27 C ALA A 176 1.777 -9.149 -8.531 1.00 0.00 C ATOM 28 O ALA A 176 1.750 -8.078 -7.960 1.00 0.00 O ATOM 29 CB ALA A 176 0.246 -10.350 -10.072 1.00 0.00 C ATOM 0 H ALA A 176 2.836 -10.664 -10.669 1.00 0.00 H new ATOM 0 HA ALA A 176 0.980 -8.326 -10.347 1.00 0.00 H new ATOM 0 HB1 ALA A 176 -0.598 -10.049 -9.452 1.00 0.00 H new ATOM 0 HB2 ALA A 176 -0.083 -10.454 -11.106 1.00 0.00 H new ATOM 0 HB3 ALA A 176 0.635 -11.304 -9.717 1.00 0.00 H new ATOM 35 N ARG A 177 2.135 -10.239 -7.920 1.00 0.00 N ATOM 36 CA ARG A 177 2.527 -10.211 -6.485 1.00 0.00 C ATOM 37 C ARG A 177 3.865 -9.501 -6.272 1.00 0.00 C ATOM 38 O ARG A 177 4.071 -8.858 -5.265 1.00 0.00 O ATOM 39 CB ARG A 177 2.630 -11.648 -5.971 1.00 0.00 C ATOM 40 CG ARG A 177 2.899 -11.661 -4.449 1.00 0.00 C ATOM 41 CD ARG A 177 4.383 -11.357 -4.127 1.00 0.00 C ATOM 42 NE ARG A 177 4.958 -12.456 -3.292 1.00 0.00 N ATOM 43 CZ ARG A 177 4.364 -12.865 -2.207 1.00 0.00 C ATOM 44 NH1 ARG A 177 3.294 -12.257 -1.774 1.00 0.00 N ATOM 45 NH2 ARG A 177 4.855 -13.875 -1.546 1.00 0.00 N ATOM 0 H ARG A 177 2.174 -11.160 -8.357 1.00 0.00 H new ATOM 0 HA ARG A 177 1.766 -9.657 -5.936 1.00 0.00 H new ATOM 0 HB2 ARG A 177 1.706 -12.185 -6.188 1.00 0.00 H new ATOM 0 HB3 ARG A 177 3.432 -12.170 -6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 177 2.262 -10.923 -3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 177 2.630 -12.635 -4.040 1.00 0.00 H new ATOM 0 HD2 ARG A 177 4.951 -11.256 -5.052 1.00 0.00 H new ATOM 0 HD3 ARG A 177 4.462 -10.407 -3.598 1.00 0.00 H new ATOM 0 HE ARG A 177 5.833 -12.895 -3.578 1.00 0.00 H new ATOM 0 HH11 ARG A 177 2.919 -11.458 -2.285 1.00 0.00 H new ATOM 0 HH12 ARG A 177 2.832 -12.581 -0.924 1.00 0.00 H new ATOM 0 HH21 ARG A 177 5.699 -14.340 -1.879 1.00 0.00 H new ATOM 0 HH22 ARG A 177 4.395 -14.200 -0.696 1.00 0.00 H new ATOM 59 N ALA A 178 4.799 -9.625 -7.164 1.00 0.00 N ATOM 60 CA ALA A 178 6.110 -8.963 -6.907 1.00 0.00 C ATOM 61 C ALA A 178 5.859 -7.476 -6.666 1.00 0.00 C ATOM 62 O ALA A 178 6.285 -6.917 -5.674 1.00 0.00 O ATOM 63 CB ALA A 178 7.037 -9.177 -8.117 1.00 0.00 C ATOM 0 H ALA A 178 4.722 -10.141 -8.040 1.00 0.00 H new ATOM 0 HA ALA A 178 6.594 -9.391 -6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 178 7.996 -8.694 -7.931 1.00 0.00 H new ATOM 0 HB2 ALA A 178 7.193 -10.245 -8.272 1.00 0.00 H new ATOM 0 HB3 ALA A 178 6.580 -8.745 -9.007 1.00 0.00 H new ATOM 69 N ASP A 179 5.147 -6.841 -7.545 1.00 0.00 N ATOM 70 CA ASP A 179 4.840 -5.402 -7.343 1.00 0.00 C ATOM 71 C ASP A 179 4.038 -5.248 -6.051 1.00 0.00 C ATOM 72 O ASP A 179 4.269 -4.366 -5.269 1.00 0.00 O ATOM 73 CB ASP A 179 4.017 -4.887 -8.526 1.00 0.00 C ATOM 74 CG ASP A 179 4.934 -4.599 -9.719 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.137 -4.559 -9.527 1.00 0.00 O ATOM 76 OD2 ASP A 179 4.412 -4.423 -10.806 1.00 0.00 O ATOM 0 H ASP A 179 4.763 -7.254 -8.395 1.00 0.00 H new ATOM 0 HA ASP A 179 5.764 -4.828 -7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.265 -5.625 -8.805 1.00 0.00 H new ATOM 0 HB3 ASP A 179 3.483 -3.981 -8.241 1.00 0.00 H new ATOM 81 N LYS A 180 3.094 -6.109 -5.824 1.00 0.00 N ATOM 82 CA LYS A 180 2.279 -6.007 -4.580 1.00 0.00 C ATOM 83 C LYS A 180 3.190 -5.884 -3.370 1.00 0.00 C ATOM 84 O LYS A 180 3.208 -4.882 -2.692 1.00 0.00 O ATOM 85 CB LYS A 180 1.448 -7.287 -4.440 1.00 0.00 C ATOM 86 CG LYS A 180 0.527 -7.223 -3.214 1.00 0.00 C ATOM 87 CD LYS A 180 -0.008 -8.630 -2.923 1.00 0.00 C ATOM 88 CE LYS A 180 -0.807 -8.620 -1.617 1.00 0.00 C ATOM 89 NZ LYS A 180 -1.970 -7.697 -1.746 1.00 0.00 N ATOM 0 H LYS A 180 2.848 -6.881 -6.443 1.00 0.00 H new ATOM 0 HA LYS A 180 1.635 -5.130 -4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 180 0.850 -7.435 -5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.112 -8.147 -4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 180 1.073 -6.841 -2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 180 -0.299 -6.536 -3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -0.641 -8.966 -3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 180 0.819 -9.336 -2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -1.154 -9.627 -1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -0.169 -8.304 -0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -2.635 -7.866 -0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -1.637 -6.712 -1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -2.450 -7.868 -2.653 1.00 0.00 H new ATOM 103 N GLN A 181 3.937 -6.908 -3.084 1.00 0.00 N ATOM 104 CA GLN A 181 4.826 -6.867 -1.899 1.00 0.00 C ATOM 105 C GLN A 181 5.821 -5.721 -2.027 1.00 0.00 C ATOM 106 O GLN A 181 6.068 -4.999 -1.083 1.00 0.00 O ATOM 107 CB GLN A 181 5.553 -8.206 -1.773 1.00 0.00 C ATOM 108 CG GLN A 181 6.530 -8.169 -0.597 1.00 0.00 C ATOM 109 CD GLN A 181 5.814 -7.751 0.690 1.00 0.00 C ATOM 110 OE1 GLN A 181 6.394 -7.096 1.535 1.00 0.00 O ATOM 111 NE2 GLN A 181 4.573 -8.099 0.878 1.00 0.00 N ATOM 0 H GLN A 181 3.970 -7.774 -3.622 1.00 0.00 H new ATOM 0 HA GLN A 181 4.233 -6.698 -1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 181 4.830 -9.008 -1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.091 -8.424 -2.695 1.00 0.00 H new ATOM 0 HG2 GLN A 181 6.984 -9.151 -0.464 1.00 0.00 H new ATOM 0 HG3 GLN A 181 7.339 -7.471 -0.812 1.00 0.00 H new ATOM 0 HE21 GLN A 181 4.085 -8.648 0.171 1.00 0.00 H new ATOM 0 HE22 GLN A 181 4.090 -7.822 1.732 1.00 0.00 H new ATOM 120 N HIS A 182 6.383 -5.529 -3.178 1.00 0.00 N ATOM 121 CA HIS A 182 7.343 -4.417 -3.346 1.00 0.00 C ATOM 122 C HIS A 182 6.606 -3.081 -3.204 1.00 0.00 C ATOM 123 O HIS A 182 7.107 -2.140 -2.620 1.00 0.00 O ATOM 124 CB HIS A 182 7.967 -4.522 -4.728 1.00 0.00 C ATOM 125 CG HIS A 182 8.937 -3.400 -4.935 1.00 0.00 C ATOM 126 ND1 HIS A 182 9.833 -2.997 -3.959 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.154 -2.584 -6.009 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.544 -1.973 -4.463 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.169 -1.679 -5.714 1.00 0.00 N ATOM 0 H HIS A 182 6.219 -6.095 -4.011 1.00 0.00 H new ATOM 0 HA HIS A 182 8.122 -4.472 -2.585 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.477 -5.480 -4.835 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.190 -4.488 -5.491 1.00 0.00 H new ATOM 0 HD2 HIS A 182 8.619 -2.634 -6.946 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.322 -1.452 -3.925 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.546 -0.950 -6.320 1.00 0.00 H new ATOM 137 N VAL A 183 5.423 -2.987 -3.742 1.00 0.00 N ATOM 138 CA VAL A 183 4.661 -1.713 -3.645 1.00 0.00 C ATOM 139 C VAL A 183 4.093 -1.533 -2.238 1.00 0.00 C ATOM 140 O VAL A 183 3.997 -0.426 -1.747 1.00 0.00 O ATOM 141 CB VAL A 183 3.534 -1.694 -4.678 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.653 -0.455 -4.460 1.00 0.00 C ATOM 143 CG2 VAL A 183 4.152 -1.641 -6.080 1.00 0.00 C ATOM 0 H VAL A 183 4.951 -3.738 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 183 5.341 -0.886 -3.850 1.00 0.00 H new ATOM 0 HB VAL A 183 2.922 -2.590 -4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.851 -0.445 -5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 183 2.224 -0.485 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 183 3.258 0.445 -4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 183 3.358 -1.627 -6.827 1.00 0.00 H new ATOM 0 HG22 VAL A 183 4.758 -0.740 -6.177 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.780 -2.518 -6.234 1.00 0.00 H new ATOM 153 N LEU A 184 3.720 -2.588 -1.563 1.00 0.00 N ATOM 154 CA LEU A 184 3.187 -2.383 -0.191 1.00 0.00 C ATOM 155 C LEU A 184 4.260 -1.676 0.613 1.00 0.00 C ATOM 156 O LEU A 184 3.989 -0.746 1.345 1.00 0.00 O ATOM 157 CB LEU A 184 2.847 -3.720 0.463 1.00 0.00 C ATOM 158 CG LEU A 184 1.540 -4.267 -0.122 1.00 0.00 C ATOM 159 CD1 LEU A 184 1.360 -5.716 0.338 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.339 -3.418 0.345 1.00 0.00 C ATOM 0 H LEU A 184 3.760 -3.553 -1.891 1.00 0.00 H new ATOM 0 HA LEU A 184 2.273 -1.790 -0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.656 -4.432 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 184 2.749 -3.593 1.541 1.00 0.00 H new ATOM 0 HG LEU A 184 1.588 -4.223 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.433 -6.116 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.200 -6.316 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.319 -5.750 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.580 -3.822 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.277 -3.443 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.470 -2.388 0.013 1.00 0.00 H new ATOM 172 N ASP A 185 5.486 -2.082 0.454 1.00 0.00 N ATOM 173 CA ASP A 185 6.575 -1.402 1.192 1.00 0.00 C ATOM 174 C ASP A 185 6.532 0.091 0.843 1.00 0.00 C ATOM 175 O ASP A 185 6.713 0.940 1.694 1.00 0.00 O ATOM 176 CB ASP A 185 7.922 -1.996 0.780 1.00 0.00 C ATOM 177 CG ASP A 185 8.036 -3.420 1.326 1.00 0.00 C ATOM 178 OD1 ASP A 185 7.313 -3.740 2.255 1.00 0.00 O ATOM 179 OD2 ASP A 185 8.842 -4.170 0.799 1.00 0.00 O ATOM 0 H ASP A 185 5.777 -2.850 -0.151 1.00 0.00 H new ATOM 0 HA ASP A 185 6.448 -1.538 2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.012 -2.003 -0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 185 8.736 -1.381 1.164 1.00 0.00 H new ATOM 184 N MET A 186 6.280 0.422 -0.403 1.00 0.00 N ATOM 185 CA MET A 186 6.213 1.867 -0.784 1.00 0.00 C ATOM 186 C MET A 186 5.069 2.539 -0.012 1.00 0.00 C ATOM 187 O MET A 186 5.162 3.687 0.369 1.00 0.00 O ATOM 188 CB MET A 186 5.966 2.024 -2.298 1.00 0.00 C ATOM 189 CG MET A 186 7.151 1.468 -3.103 1.00 0.00 C ATOM 190 SD MET A 186 8.642 2.443 -2.762 1.00 0.00 S ATOM 191 CE MET A 186 9.668 1.779 -4.104 1.00 0.00 C ATOM 0 H MET A 186 6.120 -0.239 -1.163 1.00 0.00 H new ATOM 0 HA MET A 186 7.164 2.338 -0.536 1.00 0.00 H new ATOM 0 HB2 MET A 186 5.052 1.500 -2.578 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.818 3.076 -2.540 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.321 0.424 -2.841 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.923 1.497 -4.169 1.00 0.00 H new ATOM 0 HE1 MET A 186 10.712 2.040 -3.927 1.00 0.00 H new ATOM 0 HE2 MET A 186 9.565 0.694 -4.138 1.00 0.00 H new ATOM 0 HE3 MET A 186 9.344 2.204 -5.054 1.00 0.00 H new ATOM 201 N LEU A 187 3.984 1.841 0.220 1.00 0.00 N ATOM 202 CA LEU A 187 2.842 2.462 0.966 1.00 0.00 C ATOM 203 C LEU A 187 3.266 2.770 2.402 1.00 0.00 C ATOM 204 O LEU A 187 2.988 3.834 2.922 1.00 0.00 O ATOM 205 CB LEU A 187 1.648 1.498 1.009 1.00 0.00 C ATOM 206 CG LEU A 187 1.225 1.087 -0.407 1.00 0.00 C ATOM 207 CD1 LEU A 187 -0.048 0.227 -0.327 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.951 2.338 -1.260 1.00 0.00 C ATOM 0 H LEU A 187 3.839 0.875 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 187 2.556 3.380 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 187 1.912 0.612 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.810 1.973 1.520 1.00 0.00 H new ATOM 0 HG LEU A 187 2.028 0.513 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.352 -0.067 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.152 -0.665 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.847 0.803 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.651 2.036 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 187 0.152 2.922 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.855 2.944 -1.318 1.00 0.00 H new ATOM 220 N PHE A 188 3.935 1.861 3.056 1.00 0.00 N ATOM 221 CA PHE A 188 4.356 2.144 4.455 1.00 0.00 C ATOM 222 C PHE A 188 5.210 3.407 4.468 1.00 0.00 C ATOM 223 O PHE A 188 5.067 4.245 5.330 1.00 0.00 O ATOM 224 CB PHE A 188 5.140 0.955 5.027 1.00 0.00 C ATOM 225 CG PHE A 188 4.173 -0.149 5.399 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.518 -0.115 6.637 1.00 0.00 C ATOM 227 CD2 PHE A 188 3.925 -1.197 4.507 1.00 0.00 C ATOM 228 CE1 PHE A 188 2.616 -1.131 6.980 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.021 -2.210 4.851 1.00 0.00 C ATOM 230 CZ PHE A 188 2.368 -2.177 6.087 1.00 0.00 C ATOM 0 H PHE A 188 4.205 0.948 2.689 1.00 0.00 H new ATOM 0 HA PHE A 188 3.476 2.296 5.079 1.00 0.00 H new ATOM 0 HB2 PHE A 188 5.859 0.592 4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.708 1.267 5.903 1.00 0.00 H new ATOM 0 HD1 PHE A 188 3.708 0.694 7.327 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.430 -1.225 3.553 1.00 0.00 H new ATOM 0 HE1 PHE A 188 2.112 -1.106 7.935 1.00 0.00 H new ATOM 0 HE2 PHE A 188 2.828 -3.018 4.161 1.00 0.00 H new ATOM 0 HZ PHE A 188 1.672 -2.960 6.351 1.00 0.00 H new ATOM 240 N SER A 189 6.074 3.572 3.503 1.00 0.00 N ATOM 241 CA SER A 189 6.896 4.811 3.472 1.00 0.00 C ATOM 242 C SER A 189 5.945 5.997 3.338 1.00 0.00 C ATOM 243 O SER A 189 6.064 6.996 4.023 1.00 0.00 O ATOM 244 CB SER A 189 7.842 4.779 2.271 1.00 0.00 C ATOM 245 OG SER A 189 7.084 4.841 1.071 1.00 0.00 O ATOM 0 H SER A 189 6.244 2.911 2.745 1.00 0.00 H new ATOM 0 HA SER A 189 7.491 4.893 4.382 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.537 5.618 2.319 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.440 3.868 2.290 1.00 0.00 H new ATOM 0 HG SER A 189 6.395 4.144 1.083 1.00 0.00 H new ATOM 251 N ALA A 190 4.976 5.872 2.474 1.00 0.00 N ATOM 252 CA ALA A 190 3.987 6.966 2.301 1.00 0.00 C ATOM 253 C ALA A 190 3.211 7.118 3.603 1.00 0.00 C ATOM 254 O ALA A 190 3.089 8.195 4.149 1.00 0.00 O ATOM 255 CB ALA A 190 3.020 6.611 1.163 1.00 0.00 C ATOM 0 H ALA A 190 4.828 5.056 1.880 1.00 0.00 H new ATOM 0 HA ALA A 190 4.495 7.898 2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.295 7.415 1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.580 6.480 0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.497 5.686 1.405 1.00 0.00 H new ATOM 261 N PHE A 191 2.691 6.032 4.104 1.00 0.00 N ATOM 262 CA PHE A 191 1.918 6.091 5.374 1.00 0.00 C ATOM 263 C PHE A 191 2.847 6.417 6.545 1.00 0.00 C ATOM 264 O PHE A 191 2.403 6.841 7.595 1.00 0.00 O ATOM 265 CB PHE A 191 1.194 4.758 5.613 1.00 0.00 C ATOM 266 CG PHE A 191 -0.063 4.720 4.772 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.158 5.514 5.128 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.126 3.909 3.637 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.320 5.495 4.351 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.287 3.887 2.853 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.386 4.681 3.211 1.00 0.00 C ATOM 0 H PHE A 191 2.769 5.104 3.687 1.00 0.00 H new ATOM 0 HA PHE A 191 1.172 6.882 5.297 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.846 3.924 5.353 1.00 0.00 H new ATOM 0 HB3 PHE A 191 0.944 4.650 6.668 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.106 6.143 6.005 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.721 3.298 3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.166 6.107 4.628 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.335 3.260 1.975 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.283 4.666 2.609 1.00 0.00 H new ATOM 281 N GLU A 192 4.128 6.244 6.389 1.00 0.00 N ATOM 282 CA GLU A 192 5.042 6.577 7.517 1.00 0.00 C ATOM 283 C GLU A 192 5.059 8.093 7.697 1.00 0.00 C ATOM 284 O GLU A 192 5.260 8.598 8.782 1.00 0.00 O ATOM 285 CB GLU A 192 6.467 6.101 7.220 1.00 0.00 C ATOM 286 CG GLU A 192 7.344 6.346 8.453 1.00 0.00 C ATOM 287 CD GLU A 192 8.768 5.872 8.169 1.00 0.00 C ATOM 288 OE1 GLU A 192 8.961 5.215 7.160 1.00 0.00 O ATOM 289 OE2 GLU A 192 9.643 6.176 8.963 1.00 0.00 O ATOM 0 H GLU A 192 4.578 5.892 5.544 1.00 0.00 H new ATOM 0 HA GLU A 192 4.687 6.080 8.420 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.464 5.041 6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 192 6.870 6.635 6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 192 7.346 7.406 8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 192 6.937 5.814 9.313 1.00 0.00 H new ATOM 296 N LYS A 193 4.870 8.828 6.629 1.00 0.00 N ATOM 297 CA LYS A 193 4.900 10.316 6.733 1.00 0.00 C ATOM 298 C LYS A 193 3.523 10.857 7.135 1.00 0.00 C ATOM 299 O LYS A 193 3.421 11.921 7.711 1.00 0.00 O ATOM 300 CB LYS A 193 5.289 10.902 5.375 1.00 0.00 C ATOM 301 CG LYS A 193 6.759 10.590 5.074 1.00 0.00 C ATOM 302 CD LYS A 193 7.134 11.170 3.707 1.00 0.00 C ATOM 303 CE LYS A 193 8.433 10.528 3.214 1.00 0.00 C ATOM 304 NZ LYS A 193 9.543 10.872 4.148 1.00 0.00 N ATOM 0 H LYS A 193 4.697 8.461 5.693 1.00 0.00 H new ATOM 0 HA LYS A 193 5.626 10.602 7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.653 10.486 4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 193 5.130 11.980 5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 193 7.398 11.014 5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 193 6.922 9.512 5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 193 6.332 10.988 2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 193 7.256 12.251 3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 193 8.316 9.446 3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 193 8.667 10.880 2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 10.452 10.599 3.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 9.540 11.896 4.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 9.413 10.362 5.045 1.00 0.00 H new ATOM 318 N HIS A 194 2.465 10.141 6.850 1.00 0.00 N ATOM 319 CA HIS A 194 1.108 10.634 7.234 1.00 0.00 C ATOM 320 C HIS A 194 0.128 9.460 7.340 1.00 0.00 C ATOM 321 O HIS A 194 0.240 8.476 6.648 1.00 0.00 O ATOM 322 CB HIS A 194 0.604 11.637 6.192 1.00 0.00 C ATOM 323 CG HIS A 194 1.394 12.908 6.306 1.00 0.00 C ATOM 324 ND1 HIS A 194 2.214 13.369 5.289 1.00 0.00 N ATOM 325 CD2 HIS A 194 1.497 13.824 7.317 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.771 14.520 5.709 1.00 0.00 C ATOM 327 NE2 HIS A 194 2.368 14.843 6.941 1.00 0.00 N ATOM 0 H HIS A 194 2.482 9.241 6.370 1.00 0.00 H new ATOM 0 HA HIS A 194 1.175 11.127 8.204 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.706 11.220 5.190 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.456 11.839 6.347 1.00 0.00 H new ATOM 0 HD2 HIS A 194 0.981 13.765 8.264 1.00 0.00 H new ATOM 0 HE1 HIS A 194 3.459 15.110 5.122 1.00 0.00 H new ATOM 0 HE2 HIS A 194 2.640 15.660 7.488 1.00 0.00 H new ATOM 335 N GLN A 195 -0.825 9.554 8.220 1.00 0.00 N ATOM 336 CA GLN A 195 -1.811 8.445 8.388 1.00 0.00 C ATOM 337 C GLN A 195 -2.789 8.358 7.203 1.00 0.00 C ATOM 338 O GLN A 195 -3.420 7.340 7.009 1.00 0.00 O ATOM 339 CB GLN A 195 -2.588 8.666 9.697 1.00 0.00 C ATOM 340 CG GLN A 195 -3.835 7.763 9.770 1.00 0.00 C ATOM 341 CD GLN A 195 -3.506 6.320 9.361 1.00 0.00 C ATOM 342 OE1 GLN A 195 -4.327 5.646 8.769 1.00 0.00 O ATOM 343 NE2 GLN A 195 -2.344 5.811 9.640 1.00 0.00 N ATOM 0 H GLN A 195 -0.968 10.355 8.836 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.265 7.502 8.424 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -1.938 8.460 10.547 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -2.889 9.711 9.771 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -4.235 7.773 10.784 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -4.612 8.160 9.117 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -1.649 6.369 10.136 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -2.127 4.854 9.363 1.00 0.00 H new ATOM 352 N TYR A 196 -2.963 9.410 6.434 1.00 0.00 N ATOM 353 CA TYR A 196 -3.962 9.351 5.306 1.00 0.00 C ATOM 354 C TYR A 196 -3.335 9.677 3.944 1.00 0.00 C ATOM 355 O TYR A 196 -2.436 10.484 3.825 1.00 0.00 O ATOM 356 CB TYR A 196 -5.053 10.383 5.576 1.00 0.00 C ATOM 357 CG TYR A 196 -5.807 10.021 6.831 1.00 0.00 C ATOM 358 CD1 TYR A 196 -6.884 9.134 6.768 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.438 10.591 8.054 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.597 8.810 7.927 1.00 0.00 C ATOM 361 CE2 TYR A 196 -6.152 10.271 9.216 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.231 9.381 9.154 1.00 0.00 C ATOM 363 OH TYR A 196 -7.935 9.069 10.300 1.00 0.00 O ATOM 0 H TYR A 196 -2.467 10.296 6.533 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.352 8.334 5.265 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.610 11.373 5.681 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.739 10.429 4.730 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.167 8.697 5.822 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.605 11.276 8.102 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.428 8.122 7.877 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -5.870 10.711 10.161 1.00 0.00 H new ATOM 0 HH TYR A 196 -7.550 9.550 11.062 1.00 0.00 H new ATOM 373 N TYR A 197 -3.858 9.060 2.910 1.00 0.00 N ATOM 374 CA TYR A 197 -3.375 9.315 1.518 1.00 0.00 C ATOM 375 C TYR A 197 -4.527 9.106 0.527 1.00 0.00 C ATOM 376 O TYR A 197 -5.221 8.108 0.573 1.00 0.00 O ATOM 377 CB TYR A 197 -2.224 8.358 1.175 1.00 0.00 C ATOM 378 CG TYR A 197 -0.918 8.897 1.707 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.553 8.697 3.037 1.00 0.00 C ATOM 380 CD2 TYR A 197 -0.069 9.602 0.848 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.664 9.205 3.508 1.00 0.00 C ATOM 382 CE2 TYR A 197 1.144 10.107 1.317 1.00 0.00 C ATOM 383 CZ TYR A 197 1.512 9.909 2.648 1.00 0.00 C ATOM 384 OH TYR A 197 2.711 10.410 3.114 1.00 0.00 O ATOM 0 H TYR A 197 -4.614 8.378 2.976 1.00 0.00 H new ATOM 0 HA TYR A 197 -3.017 10.342 1.450 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.420 7.375 1.602 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.159 8.229 0.095 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.206 8.152 3.702 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.353 9.756 -0.182 1.00 0.00 H new ATOM 0 HE1 TYR A 197 0.948 9.052 4.539 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.797 10.651 0.651 1.00 0.00 H new ATOM 0 HH TYR A 197 3.343 9.673 3.250 1.00 0.00 H new ATOM 394 N ASN A 198 -4.727 10.027 -0.386 1.00 0.00 N ATOM 395 CA ASN A 198 -5.821 9.856 -1.387 1.00 0.00 C ATOM 396 C ASN A 198 -5.263 9.123 -2.615 1.00 0.00 C ATOM 397 O ASN A 198 -4.074 8.894 -2.724 1.00 0.00 O ATOM 398 CB ASN A 198 -6.380 11.225 -1.791 1.00 0.00 C ATOM 399 CG ASN A 198 -5.382 11.986 -2.659 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.194 11.738 -2.604 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.830 12.909 -3.468 1.00 0.00 N ATOM 0 H ASN A 198 -4.182 10.884 -0.479 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.630 9.270 -0.952 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.315 11.094 -2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.609 11.807 -0.898 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.181 13.428 -4.060 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.829 13.111 -3.508 1.00 0.00 H new ATOM 408 N LEU A 199 -6.106 8.743 -3.538 1.00 0.00 N ATOM 409 CA LEU A 199 -5.620 8.017 -4.750 1.00 0.00 C ATOM 410 C LEU A 199 -4.581 8.863 -5.497 1.00 0.00 C ATOM 411 O LEU A 199 -3.547 8.373 -5.907 1.00 0.00 O ATOM 412 CB LEU A 199 -6.804 7.762 -5.686 1.00 0.00 C ATOM 413 CG LEU A 199 -7.814 6.826 -5.014 1.00 0.00 C ATOM 414 CD1 LEU A 199 -9.070 6.738 -5.886 1.00 0.00 C ATOM 415 CD2 LEU A 199 -7.199 5.420 -4.833 1.00 0.00 C ATOM 0 H LEU A 199 -7.113 8.904 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 199 -5.165 7.076 -4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.285 8.706 -5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.452 7.321 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 199 -8.075 7.219 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.794 6.074 -5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.506 7.731 -5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.804 6.347 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.926 4.764 -4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.929 5.013 -5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.308 5.490 -4.209 1.00 0.00 H new ATOM 427 N LYS A 200 -4.865 10.120 -5.699 1.00 0.00 N ATOM 428 CA LYS A 200 -3.916 10.999 -6.445 1.00 0.00 C ATOM 429 C LYS A 200 -2.552 11.086 -5.754 1.00 0.00 C ATOM 430 O LYS A 200 -1.528 11.120 -6.399 1.00 0.00 O ATOM 431 CB LYS A 200 -4.492 12.403 -6.596 1.00 0.00 C ATOM 432 CG LYS A 200 -3.482 13.263 -7.370 1.00 0.00 C ATOM 433 CD LYS A 200 -4.121 14.580 -7.822 1.00 0.00 C ATOM 434 CE LYS A 200 -4.901 14.378 -9.126 1.00 0.00 C ATOM 435 NZ LYS A 200 -5.385 15.700 -9.617 1.00 0.00 N ATOM 0 H LYS A 200 -5.717 10.580 -5.379 1.00 0.00 H new ATOM 0 HA LYS A 200 -3.774 10.550 -7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.444 12.367 -7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.689 12.839 -5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -2.617 13.471 -6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -3.119 12.713 -8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -4.789 14.952 -7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -3.348 15.335 -7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -4.264 13.909 -9.876 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -5.744 13.707 -8.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -5.915 15.569 -10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -6.006 16.130 -8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -4.572 16.325 -9.790 1.00 0.00 H new ATOM 449 N ASP A 201 -2.521 11.167 -4.457 1.00 0.00 N ATOM 450 CA ASP A 201 -1.201 11.285 -3.769 1.00 0.00 C ATOM 451 C ASP A 201 -0.407 9.987 -3.938 1.00 0.00 C ATOM 452 O ASP A 201 0.801 9.994 -4.071 1.00 0.00 O ATOM 453 CB ASP A 201 -1.405 11.550 -2.276 1.00 0.00 C ATOM 454 CG ASP A 201 -1.930 12.971 -2.066 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.843 13.758 -2.993 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.403 13.249 -0.976 1.00 0.00 O ATOM 0 H ASP A 201 -3.338 11.157 -3.846 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.652 12.115 -4.214 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -2.109 10.828 -1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.464 11.418 -1.743 1.00 0.00 H new ATOM 461 N LEU A 202 -1.074 8.872 -3.901 1.00 0.00 N ATOM 462 CA LEU A 202 -0.360 7.574 -4.027 1.00 0.00 C ATOM 463 C LEU A 202 0.281 7.432 -5.411 1.00 0.00 C ATOM 464 O LEU A 202 1.375 6.920 -5.535 1.00 0.00 O ATOM 465 CB LEU A 202 -1.353 6.427 -3.789 1.00 0.00 C ATOM 466 CG LEU A 202 -1.786 6.391 -2.311 1.00 0.00 C ATOM 467 CD1 LEU A 202 -2.837 5.293 -2.129 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.578 6.102 -1.392 1.00 0.00 C ATOM 0 H LEU A 202 -2.085 8.802 -3.789 1.00 0.00 H new ATOM 0 HA LEU A 202 0.435 7.536 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.227 6.555 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -0.894 5.477 -4.064 1.00 0.00 H new ATOM 0 HG LEU A 202 -2.201 7.362 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.151 5.259 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.699 5.507 -2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -2.410 4.331 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -0.908 6.081 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.144 5.137 -1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.171 6.883 -1.519 1.00 0.00 H new ATOM 480 N VAL A 203 -0.373 7.867 -6.455 1.00 0.00 N ATOM 481 CA VAL A 203 0.242 7.724 -7.806 1.00 0.00 C ATOM 482 C VAL A 203 1.486 8.600 -7.917 1.00 0.00 C ATOM 483 O VAL A 203 2.475 8.207 -8.505 1.00 0.00 O ATOM 484 CB VAL A 203 -0.746 8.096 -8.907 1.00 0.00 C ATOM 485 CG1 VAL A 203 -1.807 7.005 -9.033 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.427 9.405 -8.558 1.00 0.00 C ATOM 0 H VAL A 203 -1.292 8.309 -6.433 1.00 0.00 H new ATOM 0 HA VAL A 203 0.522 6.678 -7.933 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.208 8.199 -9.849 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.512 7.272 -9.820 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.328 6.058 -9.282 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.340 6.905 -8.087 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.133 9.669 -9.346 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -1.961 9.297 -7.614 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.678 10.191 -8.463 1.00 0.00 H new ATOM 496 N ASP A 204 1.460 9.786 -7.368 1.00 0.00 N ATOM 497 CA ASP A 204 2.663 10.652 -7.469 1.00 0.00 C ATOM 498 C ASP A 204 3.855 9.877 -6.907 1.00 0.00 C ATOM 499 O ASP A 204 4.939 9.903 -7.452 1.00 0.00 O ATOM 500 CB ASP A 204 2.438 11.937 -6.668 1.00 0.00 C ATOM 501 CG ASP A 204 3.547 12.945 -6.979 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.452 12.597 -7.720 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.469 14.052 -6.473 1.00 0.00 O ATOM 0 H ASP A 204 0.669 10.185 -6.862 1.00 0.00 H new ATOM 0 HA ASP A 204 2.855 10.923 -8.507 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.466 12.364 -6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.426 11.714 -5.601 1.00 0.00 H new ATOM 508 N ILE A 205 3.646 9.161 -5.834 1.00 0.00 N ATOM 509 CA ILE A 205 4.750 8.352 -5.243 1.00 0.00 C ATOM 510 C ILE A 205 5.091 7.215 -6.218 1.00 0.00 C ATOM 511 O ILE A 205 6.231 6.810 -6.338 1.00 0.00 O ATOM 512 CB ILE A 205 4.289 7.775 -3.894 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.848 8.922 -2.978 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.438 7.011 -3.221 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.417 8.360 -1.621 1.00 0.00 C ATOM 0 H ILE A 205 2.755 9.102 -5.341 1.00 0.00 H new ATOM 0 HA ILE A 205 5.633 8.970 -5.077 1.00 0.00 H new ATOM 0 HB ILE A 205 3.458 7.091 -4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.666 9.630 -2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 205 3.023 9.469 -3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 205 5.098 6.608 -2.267 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.759 6.193 -3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 205 6.275 7.688 -3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 205 3.104 9.177 -0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.586 7.669 -1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 205 4.254 7.833 -1.163 1.00 0.00 H new ATOM 527 N THR A 206 4.106 6.697 -6.917 1.00 0.00 N ATOM 528 CA THR A 206 4.360 5.586 -7.891 1.00 0.00 C ATOM 529 C THR A 206 3.443 5.740 -9.114 1.00 0.00 C ATOM 530 O THR A 206 2.245 5.789 -9.000 1.00 0.00 O ATOM 531 CB THR A 206 4.068 4.243 -7.216 1.00 0.00 C ATOM 532 OG1 THR A 206 2.766 4.272 -6.649 1.00 0.00 O ATOM 533 CG2 THR A 206 5.106 3.979 -6.121 1.00 0.00 C ATOM 0 H THR A 206 3.133 6.998 -6.854 1.00 0.00 H new ATOM 0 HA THR A 206 5.401 5.625 -8.211 1.00 0.00 H new ATOM 0 HB THR A 206 4.121 3.445 -7.957 1.00 0.00 H new ATOM 0 HG1 THR A 206 2.166 4.781 -7.233 1.00 0.00 H new ATOM 0 HG21 THR A 206 4.895 3.022 -5.643 1.00 0.00 H new ATOM 0 HG22 THR A 206 6.102 3.952 -6.563 1.00 0.00 H new ATOM 0 HG23 THR A 206 5.060 4.774 -5.377 1.00 0.00 H new ATOM 541 N LYS A 207 4.004 5.807 -10.286 1.00 0.00 N ATOM 542 CA LYS A 207 3.167 5.960 -11.515 1.00 0.00 C ATOM 543 C LYS A 207 2.576 4.605 -11.928 1.00 0.00 C ATOM 544 O LYS A 207 2.391 4.336 -13.099 1.00 0.00 O ATOM 545 CB LYS A 207 4.029 6.508 -12.663 1.00 0.00 C ATOM 546 CG LYS A 207 4.508 7.939 -12.345 1.00 0.00 C ATOM 547 CD LYS A 207 3.431 8.960 -12.731 1.00 0.00 C ATOM 548 CE LYS A 207 3.965 10.377 -12.502 1.00 0.00 C ATOM 549 NZ LYS A 207 5.087 10.642 -13.445 1.00 0.00 N ATOM 0 H LYS A 207 5.010 5.763 -10.451 1.00 0.00 H new ATOM 0 HA LYS A 207 2.354 6.654 -11.301 1.00 0.00 H new ATOM 0 HB2 LYS A 207 4.889 5.857 -12.822 1.00 0.00 H new ATOM 0 HB3 LYS A 207 3.454 6.508 -13.589 1.00 0.00 H new ATOM 0 HG2 LYS A 207 4.736 8.025 -11.283 1.00 0.00 H new ATOM 0 HG3 LYS A 207 5.430 8.150 -12.887 1.00 0.00 H new ATOM 0 HD2 LYS A 207 3.150 8.830 -13.776 1.00 0.00 H new ATOM 0 HD3 LYS A 207 2.532 8.798 -12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 207 3.169 11.106 -12.653 1.00 0.00 H new ATOM 0 HE3 LYS A 207 4.307 10.487 -11.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 5.205 11.668 -13.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 5.965 10.235 -13.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 4.876 10.208 -14.366 1.00 0.00 H new ATOM 563 N GLN A 208 2.279 3.750 -10.983 1.00 0.00 N ATOM 564 CA GLN A 208 1.708 2.417 -11.338 1.00 0.00 C ATOM 565 C GLN A 208 0.189 2.554 -11.557 1.00 0.00 C ATOM 566 O GLN A 208 -0.444 3.384 -10.936 1.00 0.00 O ATOM 567 CB GLN A 208 1.957 1.448 -10.183 1.00 0.00 C ATOM 568 CG GLN A 208 3.461 1.274 -9.989 1.00 0.00 C ATOM 569 CD GLN A 208 3.724 0.563 -8.663 1.00 0.00 C ATOM 570 OE1 GLN A 208 4.180 -0.564 -8.640 1.00 0.00 O ATOM 571 NE2 GLN A 208 3.443 1.179 -7.547 1.00 0.00 N ATOM 0 H GLN A 208 2.407 3.917 -9.985 1.00 0.00 H new ATOM 0 HA GLN A 208 2.179 2.045 -12.248 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.502 1.829 -9.269 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.492 0.485 -10.394 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.880 0.697 -10.813 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.954 2.246 -9.997 1.00 0.00 H new ATOM 0 HE21 GLN A 208 3.061 2.124 -7.569 1.00 0.00 H new ATOM 0 HE22 GLN A 208 3.606 0.715 -6.653 1.00 0.00 H new ATOM 580 N PRO A 209 -0.407 1.753 -12.423 1.00 0.00 N ATOM 581 CA PRO A 209 -1.878 1.830 -12.679 1.00 0.00 C ATOM 582 C PRO A 209 -2.693 1.877 -11.375 1.00 0.00 C ATOM 583 O PRO A 209 -2.499 1.069 -10.489 1.00 0.00 O ATOM 584 CB PRO A 209 -2.188 0.542 -13.462 1.00 0.00 C ATOM 585 CG PRO A 209 -0.900 0.156 -14.124 1.00 0.00 C ATOM 586 CD PRO A 209 0.236 0.706 -13.246 1.00 0.00 C ATOM 0 HA PRO A 209 -2.146 2.738 -13.219 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -2.539 -0.247 -12.797 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -2.973 0.710 -14.199 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -0.824 -0.927 -14.219 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -0.844 0.569 -15.131 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.671 -0.076 -12.624 1.00 0.00 H new ATOM 0 HD3 PRO A 209 1.043 1.117 -13.852 1.00 0.00 H new ATOM 594 N VAL A 210 -3.604 2.813 -11.254 1.00 0.00 N ATOM 595 CA VAL A 210 -4.424 2.897 -10.013 1.00 0.00 C ATOM 596 C VAL A 210 -5.167 1.587 -9.806 1.00 0.00 C ATOM 597 O VAL A 210 -5.212 1.051 -8.718 1.00 0.00 O ATOM 598 CB VAL A 210 -5.433 4.035 -10.136 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.687 5.332 -10.428 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.426 3.736 -11.269 1.00 0.00 C ATOM 0 H VAL A 210 -3.812 3.518 -11.961 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.768 3.085 -9.163 1.00 0.00 H new ATOM 0 HB VAL A 210 -5.987 4.134 -9.203 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.401 6.150 -10.517 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -3.993 5.543 -9.615 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.133 5.231 -11.361 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -7.143 4.553 -11.350 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -5.885 3.634 -12.210 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -6.956 2.809 -11.053 1.00 0.00 H new ATOM 610 N VAL A 211 -5.747 1.062 -10.844 1.00 0.00 N ATOM 611 CA VAL A 211 -6.489 -0.220 -10.711 1.00 0.00 C ATOM 612 C VAL A 211 -5.608 -1.226 -9.977 1.00 0.00 C ATOM 613 O VAL A 211 -6.067 -1.984 -9.151 1.00 0.00 O ATOM 614 CB VAL A 211 -6.833 -0.754 -12.105 1.00 0.00 C ATOM 615 CG1 VAL A 211 -5.552 -0.896 -12.928 1.00 0.00 C ATOM 616 CG2 VAL A 211 -7.509 -2.122 -11.974 1.00 0.00 C ATOM 0 H VAL A 211 -5.740 1.465 -11.781 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.410 -0.062 -10.150 1.00 0.00 H new ATOM 0 HB VAL A 211 -7.509 -0.059 -12.603 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -5.797 -1.276 -13.920 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -5.070 0.077 -13.021 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -4.875 -1.590 -12.430 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -7.754 -2.503 -12.965 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -6.832 -2.816 -11.476 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -8.422 -2.022 -11.388 1.00 0.00 H new ATOM 626 N TYR A 212 -4.337 -1.224 -10.261 1.00 0.00 N ATOM 627 CA TYR A 212 -3.431 -2.176 -9.563 1.00 0.00 C ATOM 628 C TYR A 212 -3.318 -1.759 -8.100 1.00 0.00 C ATOM 629 O TYR A 212 -3.452 -2.562 -7.198 1.00 0.00 O ATOM 630 CB TYR A 212 -2.048 -2.138 -10.218 1.00 0.00 C ATOM 631 CG TYR A 212 -1.126 -3.100 -9.505 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.251 -4.480 -9.724 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.153 -2.615 -8.623 1.00 0.00 C ATOM 634 CE1 TYR A 212 -0.404 -5.375 -9.057 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.695 -3.509 -7.960 1.00 0.00 C ATOM 636 CZ TYR A 212 0.566 -4.889 -8.176 1.00 0.00 C ATOM 637 OH TYR A 212 1.390 -5.770 -7.509 1.00 0.00 O ATOM 0 H TYR A 212 -3.889 -0.610 -10.941 1.00 0.00 H new ATOM 0 HA TYR A 212 -3.829 -3.189 -9.630 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.126 -2.405 -11.272 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.641 -1.128 -10.175 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.000 -4.853 -10.407 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.057 -1.553 -8.455 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -0.500 -6.438 -9.223 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.449 -3.137 -7.282 1.00 0.00 H new ATOM 0 HH TYR A 212 1.322 -6.657 -7.921 1.00 0.00 H new ATOM 647 N LEU A 213 -3.092 -0.498 -7.864 1.00 0.00 N ATOM 648 CA LEU A 213 -2.987 0.001 -6.465 1.00 0.00 C ATOM 649 C LEU A 213 -4.330 -0.171 -5.764 1.00 0.00 C ATOM 650 O LEU A 213 -4.399 -0.534 -4.606 1.00 0.00 O ATOM 651 CB LEU A 213 -2.641 1.491 -6.489 1.00 0.00 C ATOM 652 CG LEU A 213 -1.234 1.709 -7.063 1.00 0.00 C ATOM 653 CD1 LEU A 213 -1.000 3.214 -7.247 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.174 1.135 -6.106 1.00 0.00 C ATOM 0 H LEU A 213 -2.975 0.214 -8.585 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.215 -0.559 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.373 2.030 -7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.695 1.899 -5.480 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.151 1.198 -8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 213 -0.003 3.380 -7.654 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -1.744 3.617 -7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -1.086 3.716 -6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.819 1.296 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.246 1.636 -5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.343 0.066 -5.974 1.00 0.00 H new ATOM 666 N LYS A 214 -5.401 0.114 -6.453 1.00 0.00 N ATOM 667 CA LYS A 214 -6.748 -0.008 -5.827 1.00 0.00 C ATOM 668 C LYS A 214 -6.993 -1.445 -5.356 1.00 0.00 C ATOM 669 O LYS A 214 -7.559 -1.672 -4.307 1.00 0.00 O ATOM 670 CB LYS A 214 -7.831 0.395 -6.835 1.00 0.00 C ATOM 671 CG LYS A 214 -7.807 1.914 -7.057 1.00 0.00 C ATOM 672 CD LYS A 214 -8.986 2.315 -7.955 1.00 0.00 C ATOM 673 CE LYS A 214 -9.084 3.840 -8.041 1.00 0.00 C ATOM 674 NZ LYS A 214 -10.122 4.217 -9.046 1.00 0.00 N ATOM 0 H LYS A 214 -5.401 0.427 -7.424 1.00 0.00 H new ATOM 0 HA LYS A 214 -6.790 0.657 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.668 -0.121 -7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -8.811 0.089 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.870 2.434 -6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -6.866 2.211 -7.519 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -8.854 1.894 -8.952 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -9.914 1.905 -7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -9.340 4.254 -7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -8.119 4.262 -8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -10.189 5.253 -9.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -9.860 3.834 -9.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -11.042 3.827 -8.758 1.00 0.00 H new ATOM 688 N GLU A 215 -6.584 -2.420 -6.121 1.00 0.00 N ATOM 689 CA GLU A 215 -6.816 -3.832 -5.697 1.00 0.00 C ATOM 690 C GLU A 215 -6.018 -4.127 -4.429 1.00 0.00 C ATOM 691 O GLU A 215 -6.486 -4.801 -3.533 1.00 0.00 O ATOM 692 CB GLU A 215 -6.380 -4.769 -6.820 1.00 0.00 C ATOM 693 CG GLU A 215 -7.350 -4.626 -7.994 1.00 0.00 C ATOM 694 CD GLU A 215 -6.796 -5.362 -9.212 1.00 0.00 C ATOM 695 OE1 GLU A 215 -5.596 -5.576 -9.254 1.00 0.00 O ATOM 696 OE2 GLU A 215 -7.581 -5.695 -10.081 1.00 0.00 O ATOM 0 H GLU A 215 -6.104 -2.303 -7.013 1.00 0.00 H new ATOM 0 HA GLU A 215 -7.875 -3.985 -5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.366 -4.528 -7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.367 -5.800 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -8.325 -5.032 -7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -7.498 -3.572 -8.230 1.00 0.00 H new ATOM 703 N ILE A 216 -4.823 -3.615 -4.338 1.00 0.00 N ATOM 704 CA ILE A 216 -3.999 -3.855 -3.123 1.00 0.00 C ATOM 705 C ILE A 216 -4.652 -3.132 -1.953 1.00 0.00 C ATOM 706 O ILE A 216 -4.778 -3.660 -0.864 1.00 0.00 O ATOM 707 CB ILE A 216 -2.603 -3.285 -3.366 1.00 0.00 C ATOM 708 CG1 ILE A 216 -1.975 -4.028 -4.544 1.00 0.00 C ATOM 709 CG2 ILE A 216 -1.738 -3.453 -2.112 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.661 -3.363 -4.945 1.00 0.00 C ATOM 0 H ILE A 216 -4.381 -3.039 -5.055 1.00 0.00 H new ATOM 0 HA ILE A 216 -3.926 -4.920 -2.904 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.670 -2.221 -3.592 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.797 -5.069 -4.274 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.663 -4.031 -5.390 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -0.745 -3.043 -2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.199 -2.924 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -1.653 -4.512 -1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.223 -3.901 -5.785 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -0.850 -2.329 -5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 216 0.029 -3.383 -4.102 1.00 0.00 H new ATOM 722 N LEU A 217 -5.081 -1.928 -2.182 1.00 0.00 N ATOM 723 CA LEU A 217 -5.749 -1.152 -1.108 1.00 0.00 C ATOM 724 C LEU A 217 -7.127 -1.768 -0.840 1.00 0.00 C ATOM 725 O LEU A 217 -7.640 -1.726 0.252 1.00 0.00 O ATOM 726 CB LEU A 217 -5.912 0.296 -1.569 1.00 0.00 C ATOM 727 CG LEU A 217 -4.529 0.944 -1.774 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.696 2.304 -2.471 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.823 1.149 -0.417 1.00 0.00 C ATOM 0 H LEU A 217 -4.997 -1.443 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.153 -1.176 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.479 0.328 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.481 0.860 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 217 -3.922 0.283 -2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.717 2.761 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.176 2.160 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.314 2.956 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -2.848 1.608 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.429 1.799 0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.693 0.185 0.075 1.00 0.00 H new ATOM 741 N LYS A 218 -7.738 -2.335 -1.840 1.00 0.00 N ATOM 742 CA LYS A 218 -9.080 -2.950 -1.639 1.00 0.00 C ATOM 743 C LYS A 218 -8.983 -4.096 -0.634 1.00 0.00 C ATOM 744 O LYS A 218 -9.872 -4.304 0.170 1.00 0.00 O ATOM 745 CB LYS A 218 -9.594 -3.498 -2.965 1.00 0.00 C ATOM 746 CG LYS A 218 -11.028 -4.007 -2.793 1.00 0.00 C ATOM 747 CD LYS A 218 -11.645 -4.243 -4.170 1.00 0.00 C ATOM 748 CE LYS A 218 -13.047 -4.830 -4.007 1.00 0.00 C ATOM 749 NZ LYS A 218 -13.920 -3.834 -3.325 1.00 0.00 N ATOM 0 H LYS A 218 -7.368 -2.400 -2.788 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.764 -2.190 -1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -9.563 -2.720 -3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -8.950 -4.307 -3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -11.032 -4.932 -2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -11.620 -3.281 -2.235 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -11.694 -3.305 -4.724 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -11.020 -4.923 -4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -13.462 -5.088 -4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -13.003 -5.751 -3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -14.918 -4.074 -3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -13.728 -3.846 -2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -13.724 -2.885 -3.702 1.00 0.00 H new ATOM 763 N GLU A 219 -7.931 -4.866 -0.691 1.00 0.00 N ATOM 764 CA GLU A 219 -7.812 -6.017 0.244 1.00 0.00 C ATOM 765 C GLU A 219 -7.435 -5.543 1.654 1.00 0.00 C ATOM 766 O GLU A 219 -8.052 -5.939 2.623 1.00 0.00 O ATOM 767 CB GLU A 219 -6.739 -6.977 -0.270 1.00 0.00 C ATOM 768 CG GLU A 219 -7.227 -7.661 -1.548 1.00 0.00 C ATOM 769 CD GLU A 219 -6.139 -8.600 -2.068 1.00 0.00 C ATOM 770 OE1 GLU A 219 -5.204 -8.859 -1.327 1.00 0.00 O ATOM 771 OE2 GLU A 219 -6.254 -9.043 -3.199 1.00 0.00 O ATOM 0 H GLU A 219 -7.154 -4.748 -1.341 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.776 -6.522 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -5.815 -6.433 -0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.512 -7.725 0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -8.141 -8.221 -1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -7.470 -6.914 -2.304 1.00 0.00 H new ATOM 778 N ILE A 220 -6.419 -4.716 1.785 1.00 0.00 N ATOM 779 CA ILE A 220 -5.995 -4.240 3.149 1.00 0.00 C ATOM 780 C ILE A 220 -6.253 -2.740 3.320 1.00 0.00 C ATOM 781 O ILE A 220 -6.216 -2.220 4.418 1.00 0.00 O ATOM 782 CB ILE A 220 -4.493 -4.492 3.332 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.684 -3.739 2.258 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.207 -5.990 3.221 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.219 -3.661 2.687 1.00 0.00 C ATOM 0 H ILE A 220 -5.866 -4.351 1.010 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.576 -4.788 3.891 1.00 0.00 H new ATOM 0 HB ILE A 220 -4.197 -4.130 4.317 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.767 -4.251 1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -4.088 -2.736 2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -3.139 -6.167 3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.760 -6.524 3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.517 -6.348 2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.646 -3.129 1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -2.146 -3.130 3.636 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.820 -4.669 2.803 1.00 0.00 H new ATOM 797 N GLY A 221 -6.471 -2.029 2.253 1.00 0.00 N ATOM 798 CA GLY A 221 -6.680 -0.557 2.377 1.00 0.00 C ATOM 799 C GLY A 221 -8.116 -0.252 2.799 1.00 0.00 C ATOM 800 O GLY A 221 -8.935 -1.133 2.971 1.00 0.00 O ATOM 0 H GLY A 221 -6.514 -2.398 1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -5.985 -0.146 3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.464 -0.072 1.425 1.00 0.00 H new ATOM 804 N VAL A 222 -8.414 1.005 2.971 1.00 0.00 N ATOM 805 CA VAL A 222 -9.779 1.422 3.390 1.00 0.00 C ATOM 806 C VAL A 222 -10.109 2.714 2.661 1.00 0.00 C ATOM 807 O VAL A 222 -9.282 3.252 1.972 1.00 0.00 O ATOM 808 CB VAL A 222 -9.783 1.649 4.907 1.00 0.00 C ATOM 809 CG1 VAL A 222 -11.199 1.986 5.388 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.299 0.366 5.586 1.00 0.00 C ATOM 0 H VAL A 222 -7.757 1.774 2.836 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.520 0.660 3.148 1.00 0.00 H new ATOM 0 HB VAL A 222 -9.126 2.482 5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -11.189 2.145 6.466 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.546 2.892 4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -11.870 1.161 5.149 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.294 0.506 6.667 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -9.967 -0.456 5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.290 0.133 5.246 1.00 0.00 H new ATOM 820 N GLN A 223 -11.305 3.211 2.791 1.00 0.00 N ATOM 821 CA GLN A 223 -11.672 4.475 2.081 1.00 0.00 C ATOM 822 C GLN A 223 -12.504 5.348 3.007 1.00 0.00 C ATOM 823 O GLN A 223 -13.138 4.869 3.925 1.00 0.00 O ATOM 824 CB GLN A 223 -12.483 4.137 0.826 1.00 0.00 C ATOM 825 CG GLN A 223 -12.948 5.426 0.134 1.00 0.00 C ATOM 826 CD GLN A 223 -11.751 6.343 -0.129 1.00 0.00 C ATOM 827 OE1 GLN A 223 -10.789 5.942 -0.754 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.765 7.563 0.335 1.00 0.00 N ATOM 0 H GLN A 223 -12.047 2.800 3.357 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.767 5.010 1.793 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -11.876 3.546 0.140 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.346 3.528 1.095 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.445 5.185 -0.806 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.679 5.940 0.758 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.572 7.900 0.860 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -10.969 8.179 0.173 1.00 0.00 H new ATOM 837 N ASN A 224 -12.500 6.635 2.784 1.00 0.00 N ATOM 838 CA ASN A 224 -13.285 7.536 3.664 1.00 0.00 C ATOM 839 C ASN A 224 -13.693 8.788 2.890 1.00 0.00 C ATOM 840 O ASN A 224 -12.864 9.525 2.385 1.00 0.00 O ATOM 841 CB ASN A 224 -12.420 7.971 4.853 1.00 0.00 C ATOM 842 CG ASN A 224 -11.541 6.808 5.297 1.00 0.00 C ATOM 843 OD1 ASN A 224 -11.864 6.098 6.228 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.428 6.583 4.652 1.00 0.00 N ATOM 0 H ASN A 224 -11.988 7.096 2.032 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.171 7.004 4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.800 8.822 4.573 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -13.054 8.296 5.678 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.826 5.808 4.929 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.161 7.182 3.871 1.00 0.00 H new ATOM 851 N VAL A 225 -14.961 9.045 2.843 1.00 0.00 N ATOM 852 CA VAL A 225 -15.472 10.266 2.167 1.00 0.00 C ATOM 853 C VAL A 225 -15.786 11.269 3.271 1.00 0.00 C ATOM 854 O VAL A 225 -16.278 10.904 4.321 1.00 0.00 O ATOM 855 CB VAL A 225 -16.731 9.915 1.384 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.369 8.945 0.258 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.733 9.247 2.321 1.00 0.00 C ATOM 0 H VAL A 225 -15.682 8.451 3.252 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.747 10.681 1.467 1.00 0.00 H new ATOM 0 HB VAL A 225 -17.168 10.820 0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -17.267 8.690 -0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.644 9.414 -0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -15.938 8.038 0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.636 8.993 1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.294 8.339 2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -17.985 9.931 3.132 1.00 0.00 H new ATOM 867 N LYS A 226 -15.455 12.513 3.077 1.00 0.00 N ATOM 868 CA LYS A 226 -15.684 13.535 4.145 1.00 0.00 C ATOM 869 C LYS A 226 -16.481 14.713 3.589 1.00 0.00 C ATOM 870 O LYS A 226 -17.113 14.601 2.559 1.00 0.00 O ATOM 871 CB LYS A 226 -14.320 13.993 4.646 1.00 0.00 C ATOM 872 CG LYS A 226 -13.521 12.741 5.040 1.00 0.00 C ATOM 873 CD LYS A 226 -12.140 13.120 5.571 1.00 0.00 C ATOM 874 CE LYS A 226 -12.229 13.568 7.034 1.00 0.00 C ATOM 875 NZ LYS A 226 -10.862 13.879 7.533 1.00 0.00 N ATOM 0 H LYS A 226 -15.033 12.872 2.221 1.00 0.00 H new ATOM 0 HA LYS A 226 -16.261 13.109 4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.796 14.552 3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -14.431 14.660 5.501 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -14.066 12.181 5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -13.415 12.085 4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -11.465 12.268 5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -11.719 13.922 4.964 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -12.869 14.446 7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -12.681 12.783 7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -10.916 14.184 8.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -10.265 13.030 7.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -10.448 14.641 6.959 1.00 0.00 H new ATOM 889 N GLY A 227 -16.471 15.831 4.281 1.00 0.00 N ATOM 890 CA GLY A 227 -17.242 17.036 3.824 1.00 0.00 C ATOM 891 C GLY A 227 -17.225 17.137 2.296 1.00 0.00 C ATOM 892 O GLY A 227 -18.168 16.750 1.637 1.00 0.00 O ATOM 0 H GLY A 227 -15.956 15.961 5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -18.271 16.973 4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -16.810 17.938 4.259 1.00 0.00 H new ATOM 896 N ILE A 228 -16.163 17.636 1.721 1.00 0.00 N ATOM 897 CA ILE A 228 -16.112 17.730 0.232 1.00 0.00 C ATOM 898 C ILE A 228 -15.818 16.347 -0.347 1.00 0.00 C ATOM 899 O ILE A 228 -15.278 16.224 -1.428 1.00 0.00 O ATOM 900 CB ILE A 228 -15.031 18.721 -0.222 1.00 0.00 C ATOM 901 CG1 ILE A 228 -13.640 18.254 0.234 1.00 0.00 C ATOM 902 CG2 ILE A 228 -15.317 20.105 0.365 1.00 0.00 C ATOM 903 CD1 ILE A 228 -12.582 19.195 -0.341 1.00 0.00 C ATOM 0 H ILE A 228 -15.337 17.979 2.211 1.00 0.00 H new ATOM 0 HA ILE A 228 -17.075 18.090 -0.129 1.00 0.00 H new ATOM 0 HB ILE A 228 -15.047 18.771 -1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -13.584 18.246 1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -13.457 17.233 -0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -14.547 20.804 0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -16.291 20.452 0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -15.317 20.046 1.453 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -11.592 18.869 -0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -12.635 19.180 -1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -12.763 20.208 0.017 1.00 0.00 H new ATOM 915 N HIS A 229 -16.150 15.311 0.381 1.00 0.00 N ATOM 916 CA HIS A 229 -15.882 13.927 -0.104 1.00 0.00 C ATOM 917 C HIS A 229 -14.388 13.754 -0.317 1.00 0.00 C ATOM 918 O HIS A 229 -13.937 13.378 -1.381 1.00 0.00 O ATOM 919 CB HIS A 229 -16.628 13.675 -1.417 1.00 0.00 C ATOM 920 CG HIS A 229 -18.083 13.957 -1.196 1.00 0.00 C ATOM 921 ND1 HIS A 229 -18.822 13.268 -0.252 1.00 0.00 N ATOM 922 CD2 HIS A 229 -18.944 14.860 -1.766 1.00 0.00 C ATOM 923 CE1 HIS A 229 -20.072 13.760 -0.278 1.00 0.00 C ATOM 924 NE2 HIS A 229 -20.201 14.735 -1.183 1.00 0.00 N ATOM 0 H HIS A 229 -16.598 15.367 1.296 1.00 0.00 H new ATOM 0 HA HIS A 229 -16.231 13.210 0.638 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -16.233 14.315 -2.206 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -16.487 12.644 -1.742 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -18.686 15.560 -2.547 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -20.874 13.410 0.355 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -21.041 15.272 -1.400 1.00 0.00 H new ATOM 932 N LYS A 230 -13.614 14.026 0.696 1.00 0.00 N ATOM 933 CA LYS A 230 -12.145 13.878 0.555 1.00 0.00 C ATOM 934 C LYS A 230 -11.805 12.392 0.471 1.00 0.00 C ATOM 935 O LYS A 230 -12.071 11.631 1.380 1.00 0.00 O ATOM 936 CB LYS A 230 -11.453 14.492 1.770 1.00 0.00 C ATOM 937 CG LYS A 230 -11.821 15.973 1.885 1.00 0.00 C ATOM 938 CD LYS A 230 -11.101 16.579 3.093 1.00 0.00 C ATOM 939 CE LYS A 230 -11.679 17.960 3.413 1.00 0.00 C ATOM 940 NZ LYS A 230 -11.276 18.924 2.351 1.00 0.00 N ATOM 0 H LYS A 230 -13.936 14.343 1.610 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.805 14.387 -0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.751 13.963 2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.372 14.383 1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -11.538 16.502 0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -12.900 16.084 1.996 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -11.208 15.923 3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -10.034 16.662 2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -12.766 17.906 3.477 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -11.320 18.301 4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -10.526 19.547 2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -10.922 18.402 1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -12.098 19.497 2.073 1.00 0.00 H new ATOM 954 N ASN A 231 -11.227 11.975 -0.616 1.00 0.00 N ATOM 955 CA ASN A 231 -10.876 10.540 -0.772 1.00 0.00 C ATOM 956 C ASN A 231 -9.606 10.244 0.014 1.00 0.00 C ATOM 957 O ASN A 231 -8.558 10.778 -0.278 1.00 0.00 O ATOM 958 CB ASN A 231 -10.621 10.242 -2.251 1.00 0.00 C ATOM 959 CG ASN A 231 -11.720 10.877 -3.095 1.00 0.00 C ATOM 960 OD1 ASN A 231 -12.851 10.439 -3.073 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.429 11.910 -3.837 1.00 0.00 N ATOM 0 H ASN A 231 -10.981 12.569 -1.408 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.695 9.922 -0.402 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.648 10.632 -2.549 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.597 9.165 -2.417 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -12.154 12.353 -4.402 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.477 12.275 -3.852 1.00 0.00 H new ATOM 968 N THR A 232 -9.677 9.390 0.997 1.00 0.00 N ATOM 969 CA THR A 232 -8.451 9.051 1.782 1.00 0.00 C ATOM 970 C THR A 232 -8.388 7.544 1.990 1.00 0.00 C ATOM 971 O THR A 232 -9.378 6.907 2.298 1.00 0.00 O ATOM 972 CB THR A 232 -8.499 9.755 3.131 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.657 9.346 3.842 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.534 11.261 2.907 1.00 0.00 C ATOM 0 H THR A 232 -10.528 8.912 1.292 1.00 0.00 H new ATOM 0 HA THR A 232 -7.565 9.379 1.238 1.00 0.00 H new ATOM 0 HB THR A 232 -7.615 9.494 3.713 1.00 0.00 H new ATOM 0 HG1 THR A 232 -9.685 9.799 4.711 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.568 11.771 3.870 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.640 11.569 2.365 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.419 11.522 2.326 1.00 0.00 H new ATOM 982 N TRP A 233 -7.219 6.974 1.812 1.00 0.00 N ATOM 983 CA TRP A 233 -7.041 5.501 1.981 1.00 0.00 C ATOM 984 C TRP A 233 -6.129 5.216 3.173 1.00 0.00 C ATOM 985 O TRP A 233 -5.207 5.957 3.457 1.00 0.00 O ATOM 986 CB TRP A 233 -6.429 4.908 0.709 1.00 0.00 C ATOM 987 CG TRP A 233 -7.451 4.897 -0.389 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.746 5.942 -1.198 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.315 3.800 -0.810 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.732 5.551 -2.090 1.00 0.00 N ATOM 991 CE2 TRP A 233 -9.114 4.238 -1.890 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.474 2.479 -0.361 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -10.043 3.394 -2.502 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.405 1.624 -0.970 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.189 2.079 -2.042 1.00 0.00 C ATOM 0 H TRP A 233 -6.370 7.477 1.553 1.00 0.00 H new ATOM 0 HA TRP A 233 -8.014 5.044 2.162 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.561 5.493 0.405 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.078 3.894 0.902 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.288 6.919 -1.155 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -9.128 6.159 -2.807 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -7.874 2.118 0.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.645 3.753 -3.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.519 0.611 -0.612 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -10.902 1.417 -2.511 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.389 4.140 3.876 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.552 3.780 5.066 1.00 0.00 C ATOM 1008 C GLU A 234 -5.280 2.273 5.055 1.00 0.00 C ATOM 1009 O GLU A 234 -6.168 1.485 4.793 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.321 4.111 6.350 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.476 5.621 6.513 1.00 0.00 C ATOM 1012 CD GLU A 234 -7.188 5.908 7.838 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -8.375 5.635 7.922 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -6.542 6.406 8.744 1.00 0.00 O ATOM 0 H GLU A 234 -7.150 3.491 3.676 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.617 4.339 5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.304 3.641 6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.795 3.700 7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -5.499 6.104 6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.048 6.033 5.681 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.077 1.856 5.364 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.791 0.391 5.395 1.00 0.00 C ATOM 1023 C LEU A 235 -4.511 -0.206 6.598 1.00 0.00 C ATOM 1024 O LEU A 235 -4.142 0.046 7.721 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.290 0.147 5.560 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.515 0.822 4.423 1.00 0.00 C ATOM 1027 CD1 LEU A 235 -0.007 0.634 4.653 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -1.918 0.205 3.072 1.00 0.00 C ATOM 0 H LEU A 235 -3.289 2.461 5.594 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.128 -0.066 4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.954 0.538 6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -2.087 -0.924 5.563 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.751 1.886 4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.547 1.113 3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.275 1.085 5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 235 0.228 -0.430 4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.362 0.691 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.691 -0.861 3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -2.987 0.348 2.911 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.530 -0.987 6.382 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.263 -1.582 7.532 1.00 0.00 C ATOM 1042 C LYS A 236 -5.280 -2.440 8.366 1.00 0.00 C ATOM 1043 O LYS A 236 -4.825 -3.468 7.902 1.00 0.00 O ATOM 1044 CB LYS A 236 -7.388 -2.462 6.966 1.00 0.00 C ATOM 1045 CG LYS A 236 -8.431 -2.755 8.046 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.688 -3.332 7.392 1.00 0.00 C ATOM 1047 CE LYS A 236 -10.700 -3.704 8.477 1.00 0.00 C ATOM 1048 NZ LYS A 236 -11.974 -4.141 7.840 1.00 0.00 N ATOM 0 H LYS A 236 -5.887 -1.239 5.460 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.684 -0.808 8.174 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -7.861 -1.960 6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -6.973 -3.397 6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -8.029 -3.460 8.774 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -8.676 -1.842 8.589 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -10.123 -2.603 6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -9.433 -4.211 6.800 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -10.301 -4.503 9.103 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -10.881 -2.849 9.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -12.662 -4.394 8.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -12.356 -3.366 7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -11.794 -4.968 7.236 1.00 0.00 H new ATOM 1062 N PRO A 237 -4.936 -2.039 9.582 1.00 0.00 N ATOM 1063 CA PRO A 237 -3.989 -2.810 10.442 1.00 0.00 C ATOM 1064 C PRO A 237 -4.715 -3.858 11.287 1.00 0.00 C ATOM 1065 O PRO A 237 -4.130 -4.530 12.115 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.399 -1.728 11.342 1.00 0.00 C ATOM 1067 CG PRO A 237 -4.528 -0.766 11.561 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.399 -0.822 10.291 1.00 0.00 C ATOM 0 HA PRO A 237 -3.250 -3.363 9.862 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -3.045 -2.145 12.284 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -2.547 -1.239 10.869 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -5.108 -1.041 12.442 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -4.152 0.243 11.730 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.459 -0.885 10.538 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -5.267 0.070 9.678 1.00 0.00 H new ATOM 1076 N GLU A 238 -5.996 -3.944 11.119 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.810 -4.881 11.940 1.00 0.00 C ATOM 1078 C GLU A 238 -6.272 -6.310 11.887 1.00 0.00 C ATOM 1079 O GLU A 238 -6.263 -6.993 12.892 1.00 0.00 O ATOM 1080 CB GLU A 238 -8.254 -4.889 11.422 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.916 -3.534 11.671 1.00 0.00 C ATOM 1082 CD GLU A 238 -8.981 -3.252 13.174 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -8.929 -4.202 13.938 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -9.073 -2.093 13.533 1.00 0.00 O ATOM 0 H GLU A 238 -6.526 -3.399 10.439 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.763 -4.534 12.972 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -8.264 -5.115 10.356 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.821 -5.675 11.920 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.353 -2.747 11.169 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -9.920 -3.527 11.247 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.858 -6.798 10.740 1.00 0.00 N ATOM 1092 CA TYR A 239 -5.369 -8.219 10.667 1.00 0.00 C ATOM 1093 C TYR A 239 -4.032 -8.333 9.917 1.00 0.00 C ATOM 1094 O TYR A 239 -3.669 -9.403 9.469 1.00 0.00 O ATOM 1095 CB TYR A 239 -6.434 -9.047 9.953 1.00 0.00 C ATOM 1096 CG TYR A 239 -6.570 -8.568 8.531 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -7.368 -7.460 8.244 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -5.892 -9.232 7.504 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -7.495 -7.010 6.926 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -6.015 -8.789 6.184 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.819 -7.675 5.893 1.00 0.00 C ATOM 1102 OH TYR A 239 -6.949 -7.234 4.592 1.00 0.00 O ATOM 0 H TYR A 239 -5.836 -6.283 9.860 1.00 0.00 H new ATOM 0 HA TYR A 239 -5.198 -8.585 11.679 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -6.161 -10.102 9.968 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -7.389 -8.957 10.472 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.888 -6.949 9.041 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -5.273 -10.087 7.731 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -8.112 -6.152 6.704 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -5.493 -9.302 5.390 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.722 -6.636 4.525 1.00 0.00 H new ATOM 1112 N ARG A 240 -3.280 -7.274 9.780 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.975 -7.411 9.061 1.00 0.00 C ATOM 1114 C ARG A 240 -0.964 -8.123 9.965 1.00 0.00 C ATOM 1115 O ARG A 240 -0.498 -7.575 10.946 1.00 0.00 O ATOM 1116 CB ARG A 240 -1.400 -6.030 8.684 1.00 0.00 C ATOM 1117 CG ARG A 240 -2.082 -5.462 7.416 1.00 0.00 C ATOM 1118 CD ARG A 240 -1.185 -4.385 6.740 1.00 0.00 C ATOM 1119 NE ARG A 240 -0.831 -4.785 5.337 1.00 0.00 N ATOM 1120 CZ ARG A 240 -0.354 -5.972 5.044 1.00 0.00 C ATOM 1121 NH1 ARG A 240 -0.176 -6.869 5.971 1.00 0.00 N ATOM 1122 NH2 ARG A 240 -0.055 -6.258 3.807 1.00 0.00 N ATOM 0 H ARG A 240 -3.503 -6.340 10.125 1.00 0.00 H new ATOM 0 HA ARG A 240 -2.152 -7.985 8.152 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.538 -5.338 9.514 1.00 0.00 H new ATOM 0 HB3 ARG A 240 -0.327 -6.115 8.515 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -2.281 -6.270 6.712 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -3.045 -5.025 7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -1.706 -3.427 6.729 1.00 0.00 H new ATOM 0 HD3 ARG A 240 -0.275 -4.246 7.323 1.00 0.00 H new ATOM 0 HE ARG A 240 -0.966 -4.110 4.584 1.00 0.00 H new ATOM 0 HH11 ARG A 240 -0.408 -6.653 6.941 1.00 0.00 H new ATOM 0 HH12 ARG A 240 0.196 -7.787 5.728 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -0.192 -5.561 3.075 1.00 0.00 H new ATOM 0 HH22 ARG A 240 0.316 -7.178 3.572 1.00 0.00 H new ATOM 1136 N HIS A 241 -0.589 -9.324 9.622 1.00 0.00 N ATOM 1137 CA HIS A 241 0.421 -10.046 10.439 1.00 0.00 C ATOM 1138 C HIS A 241 1.790 -9.471 10.059 1.00 0.00 C ATOM 1139 O HIS A 241 2.814 -9.821 10.610 1.00 0.00 O ATOM 1140 CB HIS A 241 0.379 -11.542 10.110 1.00 0.00 C ATOM 1141 CG HIS A 241 -1.015 -12.077 10.318 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -1.421 -12.638 11.519 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -2.106 -12.151 9.483 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -2.702 -13.024 11.374 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -3.169 -12.751 10.153 1.00 0.00 N ATOM 0 H HIS A 241 -0.939 -9.835 8.812 1.00 0.00 H new ATOM 0 HA HIS A 241 0.225 -9.925 11.504 1.00 0.00 H new ATOM 0 HB2 HIS A 241 0.689 -11.705 9.078 1.00 0.00 H new ATOM 0 HB3 HIS A 241 1.083 -12.082 10.743 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -2.134 -11.797 8.463 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -3.283 -13.498 12.152 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -4.103 -12.941 9.790 1.00 0.00 H new ATOM 1153 N TYR A 242 1.787 -8.585 9.096 1.00 0.00 N ATOM 1154 CA TYR A 242 3.046 -7.940 8.608 1.00 0.00 C ATOM 1155 C TYR A 242 2.992 -6.438 8.912 1.00 0.00 C ATOM 1156 O TYR A 242 2.023 -5.767 8.617 1.00 0.00 O ATOM 1157 CB TYR A 242 3.149 -8.168 7.093 1.00 0.00 C ATOM 1158 CG TYR A 242 4.236 -7.306 6.489 1.00 0.00 C ATOM 1159 CD1 TYR A 242 5.576 -7.718 6.527 1.00 0.00 C ATOM 1160 CD2 TYR A 242 3.895 -6.095 5.872 1.00 0.00 C ATOM 1161 CE1 TYR A 242 6.571 -6.916 5.948 1.00 0.00 C ATOM 1162 CE2 TYR A 242 4.886 -5.295 5.299 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.225 -5.704 5.334 1.00 0.00 C ATOM 1164 OH TYR A 242 7.203 -4.918 4.763 1.00 0.00 O ATOM 0 H TYR A 242 0.943 -8.273 8.615 1.00 0.00 H new ATOM 0 HA TYR A 242 3.916 -8.370 9.105 1.00 0.00 H new ATOM 0 HB2 TYR A 242 3.359 -9.219 6.893 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.194 -7.939 6.621 1.00 0.00 H new ATOM 0 HD1 TYR A 242 5.842 -8.651 7.001 1.00 0.00 H new ATOM 0 HD2 TYR A 242 2.863 -5.779 5.839 1.00 0.00 H new ATOM 0 HE1 TYR A 242 7.603 -7.232 5.975 1.00 0.00 H new ATOM 0 HE2 TYR A 242 4.620 -4.360 4.828 1.00 0.00 H new ATOM 0 HH TYR A 242 6.923 -4.650 3.863 1.00 0.00 H new ATOM 1174 N GLN A 243 4.027 -5.907 9.510 1.00 0.00 N ATOM 1175 CA GLN A 243 4.052 -4.448 9.850 1.00 0.00 C ATOM 1176 C GLN A 243 5.428 -3.878 9.507 1.00 0.00 C ATOM 1177 O GLN A 243 5.593 -3.166 8.537 1.00 0.00 O ATOM 1178 CB GLN A 243 3.798 -4.275 11.350 1.00 0.00 C ATOM 1179 CG GLN A 243 2.390 -4.770 11.697 1.00 0.00 C ATOM 1180 CD GLN A 243 1.350 -3.873 11.022 1.00 0.00 C ATOM 1181 OE1 GLN A 243 1.664 -2.784 10.582 1.00 0.00 O ATOM 1182 NE2 GLN A 243 0.117 -4.284 10.928 1.00 0.00 N ATOM 0 H GLN A 243 4.864 -6.424 9.780 1.00 0.00 H new ATOM 0 HA GLN A 243 3.282 -3.925 9.283 1.00 0.00 H new ATOM 0 HB2 GLN A 243 4.541 -4.832 11.921 1.00 0.00 H new ATOM 0 HB3 GLN A 243 3.904 -3.226 11.628 1.00 0.00 H new ATOM 0 HG2 GLN A 243 2.265 -5.801 11.367 1.00 0.00 H new ATOM 0 HG3 GLN A 243 2.246 -4.761 12.777 1.00 0.00 H new ATOM 0 HE21 GLN A 243 -0.146 -5.198 11.297 1.00 0.00 H new ATOM 0 HE22 GLN A 243 -0.586 -3.692 10.485 1.00 0.00 H new TER 1191 GLN A 243