USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 498 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 Single : A 81 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.6!) USER MOD Single : A 85 SER OG : rot 87:sc= 0.41 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.031 USER MOD Single : A 92 TYR OH : rot -165:sc= 0.235 USER MOD Single : A 94 THR OG1 : rot 109:sc= 1.26 USER MOD Single : A 96 SER OG : rot -150:sc= -1.22 USER MOD Single : A 100 LYS NZ :NH3+ -159:sc= -0.0225 (180deg=-0.288) USER MOD Single : A 107 GLN : amide:sc= 0.618 K(o=0.62,f=-0.0052) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.718 K(o=-0.72,f=-1.6!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 CYS SG : rot 160:sc= -7.57! USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.496) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl -153:sc= 0 (180deg=-0.682) USER MOD Single : A 125 ASN :FLIP amide:sc= -0.0208 F(o=-0.55,f=-0.021) USER MOD Single : A 126 GLN : amide:sc= -0.0446 X(o=-0.045,f=-0.43) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot -161:sc= -0.374 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 31:sc= 1.11 USER MOD Single : A 144 GLN :FLIP amide:sc= -1.39 F(o=-2.5,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 130 N HIS A 81 -5.637 8.278 2.755 1.00 1.00 N ATOM 131 CA HIS A 81 -5.639 7.028 3.496 1.00 1.00 C ATOM 132 C HIS A 81 -4.200 6.633 3.838 1.00 1.00 C ATOM 133 O HIS A 81 -3.252 7.254 3.360 1.00 1.00 O ATOM 134 CB HIS A 81 -6.385 5.939 2.723 1.00 1.00 C ATOM 135 CG HIS A 81 -7.376 6.471 1.716 1.00 1.00 C ATOM 136 ND1 HIS A 81 -8.237 7.519 1.991 1.00 1.00 N ATOM 137 CD2 HIS A 81 -7.633 6.089 0.431 1.00 1.00 C ATOM 138 CE1 HIS A 81 -8.974 7.749 0.916 1.00 1.00 C ATOM 139 NE2 HIS A 81 -8.599 6.862 -0.051 1.00 1.00 N ATOM 0 HA HIS A 81 -6.177 7.158 4.435 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -5.658 5.312 2.206 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -6.911 5.300 3.432 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -7.135 5.293 -0.103 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -9.738 8.506 0.821 1.00 1.00 H new ATOM 0 HE2 HIS A 81 -8.995 6.803 -0.989 1.00 1.00 H new ATOM 146 N ILE A 82 -4.083 5.601 4.661 1.00 1.00 N ATOM 147 CA ILE A 82 -2.777 5.116 5.072 1.00 1.00 C ATOM 148 C ILE A 82 -2.849 3.605 5.300 1.00 1.00 C ATOM 149 O ILE A 82 -3.578 3.139 6.175 1.00 1.00 O ATOM 150 CB ILE A 82 -2.272 5.898 6.286 1.00 1.00 C ATOM 151 CG1 ILE A 82 -1.952 7.346 5.910 1.00 1.00 C ATOM 152 CG2 ILE A 82 -1.076 5.195 6.933 1.00 1.00 C ATOM 153 CD1 ILE A 82 -3.160 8.255 6.146 1.00 1.00 C ATOM 0 H ILE A 82 -4.872 5.087 5.054 1.00 1.00 H new ATOM 0 HA ILE A 82 -2.042 5.286 4.285 1.00 1.00 H new ATOM 0 HB ILE A 82 -3.068 5.927 7.030 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -1.106 7.700 6.499 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -1.654 7.396 4.863 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -0.737 5.772 7.793 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -1.373 4.198 7.259 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -0.266 5.114 6.208 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -2.905 9.278 5.871 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -3.997 7.913 5.537 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -3.440 8.222 7.199 1.00 1.00 H new ATOM 164 N VAL A 83 -2.081 2.880 4.499 1.00 1.00 N ATOM 165 CA VAL A 83 -2.048 1.432 4.603 1.00 1.00 C ATOM 166 C VAL A 83 -1.243 1.032 5.841 1.00 1.00 C ATOM 167 O VAL A 83 -0.047 1.310 5.925 1.00 1.00 O ATOM 168 CB VAL A 83 -1.497 0.827 3.310 1.00 1.00 C ATOM 169 CG1 VAL A 83 -1.314 -0.686 3.448 1.00 1.00 C ATOM 170 CG2 VAL A 83 -2.396 1.164 2.120 1.00 1.00 C ATOM 0 H VAL A 83 -1.477 3.269 3.775 1.00 1.00 H new ATOM 0 HA VAL A 83 -3.055 1.035 4.728 1.00 1.00 H new ATOM 0 HB VAL A 83 -0.518 1.268 3.125 1.00 1.00 H new ATOM 0 HG11 VAL A 83 -0.921 -1.092 2.516 1.00 1.00 H new ATOM 0 HG12 VAL A 83 -0.615 -0.896 4.258 1.00 1.00 H new ATOM 0 HG13 VAL A 83 -2.275 -1.150 3.669 1.00 1.00 H new ATOM 0 HG21 VAL A 83 -1.981 0.722 1.214 1.00 1.00 H new ATOM 0 HG22 VAL A 83 -3.395 0.765 2.294 1.00 1.00 H new ATOM 0 HG23 VAL A 83 -2.453 2.246 2.002 1.00 1.00 H new ATOM 180 N ARG A 84 -1.930 0.384 6.770 1.00 1.00 N ATOM 181 CA ARG A 84 -1.293 -0.057 8.000 1.00 1.00 C ATOM 182 C ARG A 84 -1.139 -1.579 8.001 1.00 1.00 C ATOM 183 O ARG A 84 -2.125 -2.307 7.897 1.00 1.00 O ATOM 184 CB ARG A 84 -2.107 0.367 9.224 1.00 1.00 C ATOM 185 CG ARG A 84 -1.972 1.870 9.478 1.00 1.00 C ATOM 186 CD ARG A 84 -2.659 2.268 10.786 1.00 1.00 C ATOM 187 NE ARG A 84 -1.782 3.174 11.561 1.00 1.00 N ATOM 188 CZ ARG A 84 -1.971 3.478 12.864 1.00 1.00 C ATOM 189 NH1 ARG A 84 -3.007 2.949 13.548 1.00 1.00 N ATOM 190 NH2 ARG A 84 -1.124 4.299 13.459 1.00 1.00 N ATOM 0 H ARG A 84 -2.921 0.154 6.696 1.00 1.00 H new ATOM 0 HA ARG A 84 -0.310 0.411 8.051 1.00 1.00 H new ATOM 0 HB2 ARG A 84 -3.156 0.113 9.073 1.00 1.00 H new ATOM 0 HB3 ARG A 84 -1.768 -0.186 10.100 1.00 1.00 H new ATOM 0 HG2 ARG A 84 -0.917 2.142 9.519 1.00 1.00 H new ATOM 0 HG3 ARG A 84 -2.412 2.424 8.649 1.00 1.00 H new ATOM 0 HD2 ARG A 84 -3.608 2.760 10.573 1.00 1.00 H new ATOM 0 HD3 ARG A 84 -2.886 1.378 11.373 1.00 1.00 H new ATOM 0 HE ARG A 84 -0.986 3.595 11.082 1.00 1.00 H new ATOM 0 HH11 ARG A 84 -3.655 2.314 13.082 1.00 1.00 H new ATOM 0 HH12 ARG A 84 -3.142 3.184 14.531 1.00 1.00 H new ATOM 0 HH21 ARG A 84 -0.342 4.693 12.935 1.00 1.00 H new ATOM 0 HH22 ARG A 84 -1.252 4.539 14.442 1.00 1.00 H new ATOM 199 N SER A 85 0.107 -2.016 8.119 1.00 1.00 N ATOM 200 CA SER A 85 0.403 -3.438 8.135 1.00 1.00 C ATOM 201 C SER A 85 -0.568 -4.164 9.069 1.00 1.00 C ATOM 202 O SER A 85 -0.431 -4.095 10.289 1.00 1.00 O ATOM 203 CB SER A 85 1.847 -3.695 8.569 1.00 1.00 C ATOM 204 OG SER A 85 2.404 -2.579 9.259 1.00 1.00 O ATOM 0 H SER A 85 0.923 -1.410 8.204 1.00 1.00 H new ATOM 0 HA SER A 85 0.282 -3.824 7.123 1.00 1.00 H new ATOM 0 HB2 SER A 85 1.881 -4.573 9.213 1.00 1.00 H new ATOM 0 HB3 SER A 85 2.455 -3.919 7.692 1.00 1.00 H new ATOM 0 HG SER A 85 2.184 -2.641 10.212 1.00 1.00 H new ATOM 209 N PRO A 86 -1.553 -4.862 8.442 1.00 1.00 N ATOM 210 CA PRO A 86 -2.546 -5.601 9.203 1.00 1.00 C ATOM 211 C PRO A 86 -1.952 -6.888 9.777 1.00 1.00 C ATOM 212 O PRO A 86 -2.646 -7.652 10.447 1.00 1.00 O ATOM 213 CB PRO A 86 -3.682 -5.856 8.225 1.00 1.00 C ATOM 214 CG PRO A 86 -3.089 -5.662 6.839 1.00 1.00 C ATOM 215 CD PRO A 86 -1.746 -4.967 6.999 1.00 1.00 C ATOM 0 HA PRO A 86 -2.903 -5.050 10.073 1.00 1.00 H new ATOM 0 HB2 PRO A 86 -4.080 -6.864 8.342 1.00 1.00 H new ATOM 0 HB3 PRO A 86 -4.508 -5.166 8.397 1.00 1.00 H new ATOM 0 HG2 PRO A 86 -2.964 -6.623 6.339 1.00 1.00 H new ATOM 0 HG3 PRO A 86 -3.757 -5.064 6.219 1.00 1.00 H new ATOM 0 HD2 PRO A 86 -0.945 -5.541 6.533 1.00 1.00 H new ATOM 0 HD3 PRO A 86 -1.750 -3.984 6.527 1.00 1.00 H new ATOM 220 N MET A 87 -0.673 -7.089 9.495 1.00 1.00 N ATOM 221 CA MET A 87 0.023 -8.271 9.975 1.00 1.00 C ATOM 222 C MET A 87 1.539 -8.084 9.894 1.00 1.00 C ATOM 223 O MET A 87 2.059 -7.635 8.873 1.00 1.00 O ATOM 224 CB MET A 87 -0.389 -9.482 9.136 1.00 1.00 C ATOM 225 CG MET A 87 -0.924 -10.608 10.024 1.00 1.00 C ATOM 226 SD MET A 87 -0.939 -12.145 9.117 1.00 1.00 S ATOM 227 CE MET A 87 0.334 -13.036 9.996 1.00 1.00 C ATOM 0 H MET A 87 -0.100 -6.453 8.940 1.00 1.00 H new ATOM 0 HA MET A 87 -0.249 -8.432 11.018 1.00 1.00 H new ATOM 0 HB2 MET A 87 -1.153 -9.187 8.416 1.00 1.00 H new ATOM 0 HB3 MET A 87 0.467 -9.841 8.564 1.00 1.00 H new ATOM 0 HG2 MET A 87 -0.302 -10.707 10.914 1.00 1.00 H new ATOM 0 HG3 MET A 87 -1.931 -10.367 10.364 1.00 1.00 H new ATOM 0 HE1 MET A 87 0.456 -14.026 9.556 1.00 1.00 H new ATOM 0 HE2 MET A 87 1.275 -12.490 9.926 1.00 1.00 H new ATOM 0 HE3 MET A 87 0.050 -13.137 11.043 1.00 1.00 H new ATOM 235 N VAL A 88 2.206 -8.440 10.982 1.00 1.00 N ATOM 236 CA VAL A 88 3.652 -8.318 11.047 1.00 1.00 C ATOM 237 C VAL A 88 4.287 -9.286 10.046 1.00 1.00 C ATOM 238 O VAL A 88 3.749 -10.362 9.792 1.00 1.00 O ATOM 239 CB VAL A 88 4.133 -8.542 12.482 1.00 1.00 C ATOM 240 CG1 VAL A 88 5.617 -8.194 12.625 1.00 1.00 C ATOM 241 CG2 VAL A 88 3.285 -7.744 13.475 1.00 1.00 C ATOM 0 H VAL A 88 1.771 -8.813 11.826 1.00 1.00 H new ATOM 0 HA VAL A 88 3.963 -7.311 10.768 1.00 1.00 H new ATOM 0 HB VAL A 88 4.014 -9.600 12.713 1.00 1.00 H new ATOM 0 HG11 VAL A 88 5.933 -8.362 13.655 1.00 1.00 H new ATOM 0 HG12 VAL A 88 6.205 -8.825 11.958 1.00 1.00 H new ATOM 0 HG13 VAL A 88 5.772 -7.147 12.365 1.00 1.00 H new ATOM 0 HG21 VAL A 88 3.648 -7.921 14.488 1.00 1.00 H new ATOM 0 HG22 VAL A 88 3.358 -6.681 13.244 1.00 1.00 H new ATOM 0 HG23 VAL A 88 2.245 -8.061 13.402 1.00 1.00 H new ATOM 251 N GLY A 89 5.421 -8.868 9.505 1.00 1.00 N ATOM 252 CA GLY A 89 6.135 -9.684 8.537 1.00 1.00 C ATOM 253 C GLY A 89 7.022 -8.820 7.639 1.00 1.00 C ATOM 254 O GLY A 89 7.918 -8.131 8.124 1.00 1.00 O ATOM 0 H GLY A 89 5.864 -7.974 9.718 1.00 1.00 H new ATOM 0 HA2 GLY A 89 6.747 -10.421 9.058 1.00 1.00 H new ATOM 0 HA3 GLY A 89 5.422 -10.237 7.926 1.00 1.00 H new ATOM 258 N THR A 90 6.742 -8.887 6.346 1.00 1.00 N ATOM 259 CA THR A 90 7.504 -8.118 5.375 1.00 1.00 C ATOM 260 C THR A 90 6.562 -7.395 4.410 1.00 1.00 C ATOM 261 O THR A 90 5.385 -7.738 4.312 1.00 1.00 O ATOM 262 CB THR A 90 8.475 -9.072 4.676 1.00 1.00 C ATOM 263 OG1 THR A 90 9.173 -9.702 5.746 1.00 1.00 O ATOM 264 CG2 THR A 90 9.568 -8.330 3.903 1.00 1.00 C ATOM 0 H THR A 90 5.999 -9.461 5.948 1.00 1.00 H new ATOM 0 HA THR A 90 8.086 -7.334 5.859 1.00 1.00 H new ATOM 0 HB THR A 90 7.922 -9.718 3.994 1.00 1.00 H new ATOM 0 HG1 THR A 90 9.823 -10.339 5.382 1.00 1.00 H new ATOM 0 HG21 THR A 90 10.230 -9.052 3.426 1.00 1.00 H new ATOM 0 HG22 THR A 90 9.110 -7.699 3.141 1.00 1.00 H new ATOM 0 HG23 THR A 90 10.143 -7.710 4.591 1.00 1.00 H new ATOM 272 N PHE A 91 7.116 -6.407 3.722 1.00 1.00 N ATOM 273 CA PHE A 91 6.341 -5.633 2.769 1.00 1.00 C ATOM 274 C PHE A 91 7.112 -5.442 1.461 1.00 1.00 C ATOM 275 O PHE A 91 8.306 -5.149 1.479 1.00 1.00 O ATOM 276 CB PHE A 91 6.089 -4.263 3.404 1.00 1.00 C ATOM 277 CG PHE A 91 5.421 -3.256 2.466 1.00 1.00 C ATOM 278 CD1 PHE A 91 6.112 -2.747 1.411 1.00 1.00 C ATOM 279 CD2 PHE A 91 4.136 -2.870 2.689 1.00 1.00 C ATOM 280 CE1 PHE A 91 5.491 -1.812 0.541 1.00 1.00 C ATOM 281 CE2 PHE A 91 3.516 -1.934 1.818 1.00 1.00 C ATOM 282 CZ PHE A 91 4.207 -1.425 0.763 1.00 1.00 C ATOM 0 H PHE A 91 8.093 -6.125 3.806 1.00 1.00 H new ATOM 0 HA PHE A 91 5.410 -6.152 2.538 1.00 1.00 H new ATOM 0 HB2 PHE A 91 5.463 -4.393 4.287 1.00 1.00 H new ATOM 0 HB3 PHE A 91 7.039 -3.852 3.745 1.00 1.00 H new ATOM 0 HD1 PHE A 91 7.132 -3.054 1.235 1.00 1.00 H new ATOM 0 HD2 PHE A 91 3.588 -3.274 3.527 1.00 1.00 H new ATOM 0 HE1 PHE A 91 6.039 -1.408 -0.297 1.00 1.00 H new ATOM 0 HE2 PHE A 91 2.496 -1.627 1.994 1.00 1.00 H new ATOM 0 HZ PHE A 91 3.736 -0.713 0.102 1.00 1.00 H new ATOM 291 N TYR A 92 6.397 -5.615 0.360 1.00 1.00 N ATOM 292 CA TYR A 92 6.999 -5.465 -0.954 1.00 1.00 C ATOM 293 C TYR A 92 6.160 -4.542 -1.840 1.00 1.00 C ATOM 294 O TYR A 92 4.953 -4.414 -1.642 1.00 1.00 O ATOM 295 CB TYR A 92 7.018 -6.866 -1.571 1.00 1.00 C ATOM 296 CG TYR A 92 8.092 -7.787 -0.991 1.00 1.00 C ATOM 297 CD1 TYR A 92 9.420 -7.583 -1.307 1.00 1.00 C ATOM 298 CD2 TYR A 92 7.734 -8.822 -0.151 1.00 1.00 C ATOM 299 CE1 TYR A 92 10.432 -8.451 -0.761 1.00 1.00 C ATOM 300 CE2 TYR A 92 8.745 -9.689 0.396 1.00 1.00 C ATOM 301 CZ TYR A 92 10.043 -9.461 0.064 1.00 1.00 C ATOM 302 OH TYR A 92 10.999 -10.280 0.580 1.00 1.00 O ATOM 0 H TYR A 92 5.406 -5.858 0.350 1.00 1.00 H new ATOM 0 HA TYR A 92 7.995 -5.030 -0.872 1.00 1.00 H new ATOM 0 HB2 TYR A 92 6.041 -7.328 -1.427 1.00 1.00 H new ATOM 0 HB3 TYR A 92 7.173 -6.776 -2.646 1.00 1.00 H new ATOM 0 HD1 TYR A 92 9.701 -6.773 -1.964 1.00 1.00 H new ATOM 0 HD2 TYR A 92 6.695 -8.982 0.096 1.00 1.00 H new ATOM 0 HE1 TYR A 92 11.475 -8.304 -1.001 1.00 1.00 H new ATOM 0 HE2 TYR A 92 8.478 -10.502 1.055 1.00 1.00 H new ATOM 0 HH TYR A 92 10.577 -11.084 0.948 1.00 1.00 H new ATOM 311 N ARG A 93 6.833 -3.922 -2.798 1.00 1.00 N ATOM 312 CA ARG A 93 6.164 -3.014 -3.715 1.00 1.00 C ATOM 313 C ARG A 93 5.959 -3.687 -5.074 1.00 1.00 C ATOM 314 O ARG A 93 5.206 -3.191 -5.908 1.00 1.00 O ATOM 315 CB ARG A 93 6.975 -1.730 -3.906 1.00 1.00 C ATOM 316 CG ARG A 93 7.317 -1.091 -2.560 1.00 1.00 C ATOM 317 CD ARG A 93 6.324 0.021 -2.213 1.00 1.00 C ATOM 318 NE ARG A 93 6.263 1.007 -3.314 1.00 1.00 N ATOM 319 CZ ARG A 93 5.241 1.869 -3.504 1.00 1.00 C ATOM 320 NH1 ARG A 93 4.184 1.873 -2.665 1.00 1.00 N ATOM 321 NH2 ARG A 93 5.292 2.707 -4.522 1.00 1.00 N ATOM 0 H ARG A 93 7.834 -4.030 -2.959 1.00 1.00 H new ATOM 0 HA ARG A 93 5.196 -2.759 -3.283 1.00 1.00 H new ATOM 0 HB2 ARG A 93 7.893 -1.953 -4.450 1.00 1.00 H new ATOM 0 HB3 ARG A 93 6.408 -1.025 -4.514 1.00 1.00 H new ATOM 0 HG2 ARG A 93 7.305 -1.851 -1.779 1.00 1.00 H new ATOM 0 HG3 ARG A 93 8.328 -0.684 -2.593 1.00 1.00 H new ATOM 0 HD2 ARG A 93 5.335 -0.404 -2.039 1.00 1.00 H new ATOM 0 HD3 ARG A 93 6.626 0.514 -1.289 1.00 1.00 H new ATOM 0 HE ARG A 93 7.042 1.038 -3.971 1.00 1.00 H new ATOM 0 HH11 ARG A 93 4.153 1.222 -1.881 1.00 1.00 H new ATOM 0 HH12 ARG A 93 3.416 2.527 -2.815 1.00 1.00 H new ATOM 0 HH21 ARG A 93 6.095 2.697 -5.151 1.00 1.00 H new ATOM 0 HH22 ARG A 93 4.528 3.365 -4.680 1.00 1.00 H new ATOM 330 N THR A 94 6.645 -4.807 -5.252 1.00 1.00 N ATOM 331 CA THR A 94 6.547 -5.554 -6.495 1.00 1.00 C ATOM 332 C THR A 94 6.421 -7.051 -6.209 1.00 1.00 C ATOM 333 O THR A 94 6.842 -7.524 -5.155 1.00 1.00 O ATOM 334 CB THR A 94 7.762 -5.200 -7.356 1.00 1.00 C ATOM 335 OG1 THR A 94 8.877 -5.489 -6.517 1.00 1.00 O ATOM 336 CG2 THR A 94 7.873 -3.697 -7.621 1.00 1.00 C ATOM 0 H THR A 94 7.270 -5.215 -4.557 1.00 1.00 H new ATOM 0 HA THR A 94 5.648 -5.284 -7.049 1.00 1.00 H new ATOM 0 HB THR A 94 7.703 -5.732 -8.305 1.00 1.00 H new ATOM 0 HG1 THR A 94 9.340 -6.286 -6.851 1.00 1.00 H new ATOM 0 HG21 THR A 94 8.751 -3.500 -8.236 1.00 1.00 H new ATOM 0 HG22 THR A 94 6.980 -3.353 -8.143 1.00 1.00 H new ATOM 0 HG23 THR A 94 7.967 -3.166 -6.673 1.00 1.00 H new ATOM 344 N PRO A 95 5.823 -7.776 -7.193 1.00 1.00 N ATOM 345 CA PRO A 95 5.635 -9.210 -7.058 1.00 1.00 C ATOM 346 C PRO A 95 6.954 -9.957 -7.261 1.00 1.00 C ATOM 347 O PRO A 95 7.038 -11.158 -7.007 1.00 1.00 O ATOM 348 CB PRO A 95 4.583 -9.569 -8.094 1.00 1.00 C ATOM 349 CG PRO A 95 4.559 -8.413 -9.081 1.00 1.00 C ATOM 350 CD PRO A 95 5.311 -7.250 -8.456 1.00 1.00 C ATOM 0 HA PRO A 95 5.306 -9.499 -6.060 1.00 1.00 H new ATOM 0 HB2 PRO A 95 4.831 -10.505 -8.595 1.00 1.00 H new ATOM 0 HB3 PRO A 95 3.607 -9.706 -7.628 1.00 1.00 H new ATOM 0 HG2 PRO A 95 5.023 -8.706 -10.023 1.00 1.00 H new ATOM 0 HG3 PRO A 95 3.532 -8.126 -9.308 1.00 1.00 H new ATOM 0 HD2 PRO A 95 6.121 -6.910 -9.101 1.00 1.00 H new ATOM 0 HD3 PRO A 95 4.654 -6.396 -8.292 1.00 1.00 H new ATOM 355 N SER A 96 7.953 -9.216 -7.720 1.00 1.00 N ATOM 356 CA SER A 96 9.264 -9.793 -7.963 1.00 1.00 C ATOM 357 C SER A 96 10.328 -8.694 -7.958 1.00 1.00 C ATOM 358 O SER A 96 10.008 -7.515 -7.815 1.00 1.00 O ATOM 359 CB SER A 96 9.294 -10.556 -9.288 1.00 1.00 C ATOM 360 OG SER A 96 9.727 -11.903 -9.120 1.00 1.00 O ATOM 0 H SER A 96 7.880 -8.221 -7.930 1.00 1.00 H new ATOM 0 HA SER A 96 9.479 -10.502 -7.163 1.00 1.00 H new ATOM 0 HB2 SER A 96 8.299 -10.548 -9.733 1.00 1.00 H new ATOM 0 HB3 SER A 96 9.959 -10.046 -9.985 1.00 1.00 H new ATOM 0 HG SER A 96 10.181 -12.205 -9.934 1.00 1.00 H new ATOM 365 N PRO A 97 11.606 -9.131 -8.119 1.00 1.00 N ATOM 366 CA PRO A 97 12.719 -8.197 -8.135 1.00 1.00 C ATOM 367 C PRO A 97 12.776 -7.434 -9.460 1.00 1.00 C ATOM 368 O PRO A 97 13.030 -6.231 -9.476 1.00 1.00 O ATOM 369 CB PRO A 97 13.952 -9.052 -7.889 1.00 1.00 C ATOM 370 CG PRO A 97 13.540 -10.480 -8.207 1.00 1.00 C ATOM 371 CD PRO A 97 12.023 -10.519 -8.291 1.00 1.00 C ATOM 0 HA PRO A 97 12.629 -7.422 -7.374 1.00 1.00 H new ATOM 0 HB2 PRO A 97 14.780 -8.734 -8.523 1.00 1.00 H new ATOM 0 HB3 PRO A 97 14.289 -8.964 -6.856 1.00 1.00 H new ATOM 0 HG2 PRO A 97 13.983 -10.805 -9.149 1.00 1.00 H new ATOM 0 HG3 PRO A 97 13.897 -11.161 -7.435 1.00 1.00 H new ATOM 0 HD2 PRO A 97 11.690 -10.917 -9.250 1.00 1.00 H new ATOM 0 HD3 PRO A 97 11.600 -11.158 -7.516 1.00 1.00 H new ATOM 376 N ASP A 98 12.535 -8.165 -10.539 1.00 1.00 N ATOM 377 CA ASP A 98 12.555 -7.571 -11.865 1.00 1.00 C ATOM 378 C ASP A 98 11.126 -7.488 -12.403 1.00 1.00 C ATOM 379 O ASP A 98 10.919 -7.372 -13.610 1.00 1.00 O ATOM 380 CB ASP A 98 13.378 -8.421 -12.836 1.00 1.00 C ATOM 381 CG ASP A 98 14.650 -9.031 -12.243 1.00 1.00 C ATOM 382 OD1 ASP A 98 14.609 -10.080 -11.584 1.00 1.00 O ATOM 383 OD2 ASP A 98 15.733 -8.373 -12.486 1.00 1.00 O ATOM 0 H ASP A 98 12.325 -9.163 -10.522 1.00 1.00 H new ATOM 0 HA ASP A 98 13.002 -6.580 -11.785 1.00 1.00 H new ATOM 0 HB2 ASP A 98 12.748 -9.227 -13.213 1.00 1.00 H new ATOM 0 HB3 ASP A 98 13.653 -7.804 -13.692 1.00 1.00 H new ATOM 388 N ALA A 99 10.175 -7.552 -11.482 1.00 1.00 N ATOM 389 CA ALA A 99 8.772 -7.485 -11.849 1.00 1.00 C ATOM 390 C ALA A 99 8.288 -6.037 -11.742 1.00 1.00 C ATOM 391 O ALA A 99 8.877 -5.235 -11.018 1.00 1.00 O ATOM 392 CB ALA A 99 7.966 -8.435 -10.961 1.00 1.00 C ATOM 0 H ALA A 99 10.350 -7.650 -10.482 1.00 1.00 H new ATOM 0 HA ALA A 99 8.631 -7.804 -12.882 1.00 1.00 H new ATOM 0 HB1 ALA A 99 6.913 -8.385 -11.236 1.00 1.00 H new ATOM 0 HB2 ALA A 99 8.328 -9.454 -11.096 1.00 1.00 H new ATOM 0 HB3 ALA A 99 8.082 -8.144 -9.917 1.00 1.00 H new ATOM 398 N LYS A 100 7.223 -5.746 -12.474 1.00 1.00 N ATOM 399 CA LYS A 100 6.655 -4.409 -12.470 1.00 1.00 C ATOM 400 C LYS A 100 6.261 -4.030 -11.042 1.00 1.00 C ATOM 401 O LYS A 100 6.256 -4.878 -10.150 1.00 1.00 O ATOM 402 CB LYS A 100 5.502 -4.314 -13.472 1.00 1.00 C ATOM 403 CG LYS A 100 5.832 -5.068 -14.762 1.00 1.00 C ATOM 404 CD LYS A 100 5.286 -4.330 -15.985 1.00 1.00 C ATOM 405 CE LYS A 100 3.799 -4.629 -16.186 1.00 1.00 C ATOM 406 NZ LYS A 100 3.609 -6.020 -16.656 1.00 1.00 N ATOM 0 H LYS A 100 6.738 -6.413 -13.074 1.00 1.00 H new ATOM 0 HA LYS A 100 7.395 -3.680 -12.800 1.00 1.00 H new ATOM 0 HB2 LYS A 100 4.595 -4.725 -13.028 1.00 1.00 H new ATOM 0 HB3 LYS A 100 5.299 -3.268 -13.700 1.00 1.00 H new ATOM 0 HG2 LYS A 100 6.912 -5.182 -14.854 1.00 1.00 H new ATOM 0 HG3 LYS A 100 5.408 -6.071 -14.719 1.00 1.00 H new ATOM 0 HD2 LYS A 100 5.432 -3.257 -15.862 1.00 1.00 H new ATOM 0 HD3 LYS A 100 5.844 -4.627 -16.873 1.00 1.00 H new ATOM 0 HE2 LYS A 100 3.262 -4.479 -15.249 1.00 1.00 H new ATOM 0 HE3 LYS A 100 3.377 -3.933 -16.911 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 2.682 -6.106 -17.119 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 4.359 -6.263 -17.335 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 3.653 -6.670 -15.845 1.00 1.00 H new ATOM 415 N ALA A 101 5.940 -2.757 -10.868 1.00 1.00 N ATOM 416 CA ALA A 101 5.545 -2.257 -9.562 1.00 1.00 C ATOM 417 C ALA A 101 4.018 -2.253 -9.462 1.00 1.00 C ATOM 418 O ALA A 101 3.333 -1.819 -10.387 1.00 1.00 O ATOM 419 CB ALA A 101 6.146 -0.866 -9.344 1.00 1.00 C ATOM 0 H ALA A 101 5.945 -2.056 -11.609 1.00 1.00 H new ATOM 0 HA ALA A 101 5.926 -2.905 -8.773 1.00 1.00 H new ATOM 0 HB1 ALA A 101 5.850 -0.491 -8.364 1.00 1.00 H new ATOM 0 HB2 ALA A 101 7.233 -0.927 -9.395 1.00 1.00 H new ATOM 0 HB3 ALA A 101 5.784 -0.188 -10.117 1.00 1.00 H new ATOM 425 N PHE A 102 3.529 -2.741 -8.332 1.00 1.00 N ATOM 426 CA PHE A 102 2.097 -2.801 -8.099 1.00 1.00 C ATOM 427 C PHE A 102 1.468 -1.408 -8.196 1.00 1.00 C ATOM 428 O PHE A 102 0.362 -1.257 -8.714 1.00 1.00 O ATOM 429 CB PHE A 102 1.895 -3.340 -6.682 1.00 1.00 C ATOM 430 CG PHE A 102 1.941 -4.867 -6.585 1.00 1.00 C ATOM 431 CD1 PHE A 102 0.902 -5.609 -7.053 1.00 1.00 C ATOM 432 CD2 PHE A 102 3.021 -5.481 -6.032 1.00 1.00 C ATOM 433 CE1 PHE A 102 0.945 -7.026 -6.964 1.00 1.00 C ATOM 434 CE2 PHE A 102 3.063 -6.898 -5.942 1.00 1.00 C ATOM 435 CZ PHE A 102 2.024 -7.640 -6.410 1.00 1.00 C ATOM 0 H PHE A 102 4.100 -3.099 -7.567 1.00 1.00 H new ATOM 0 HA PHE A 102 1.625 -3.438 -8.847 1.00 1.00 H new ATOM 0 HB2 PHE A 102 2.663 -2.921 -6.032 1.00 1.00 H new ATOM 0 HB3 PHE A 102 0.934 -2.991 -6.305 1.00 1.00 H new ATOM 0 HD1 PHE A 102 0.044 -5.121 -7.492 1.00 1.00 H new ATOM 0 HD2 PHE A 102 3.847 -4.891 -5.661 1.00 1.00 H new ATOM 0 HE1 PHE A 102 0.120 -7.616 -7.336 1.00 1.00 H new ATOM 0 HE2 PHE A 102 3.920 -7.386 -5.502 1.00 1.00 H new ATOM 0 HZ PHE A 102 2.056 -8.717 -6.342 1.00 1.00 H new ATOM 444 N ILE A 103 2.199 -0.428 -7.688 1.00 1.00 N ATOM 445 CA ILE A 103 1.728 0.946 -7.711 1.00 1.00 C ATOM 446 C ILE A 103 2.922 1.890 -7.868 1.00 1.00 C ATOM 447 O ILE A 103 3.681 2.098 -6.923 1.00 1.00 O ATOM 448 CB ILE A 103 0.871 1.239 -6.477 1.00 1.00 C ATOM 449 CG1 ILE A 103 1.680 1.056 -5.192 1.00 1.00 C ATOM 450 CG2 ILE A 103 -0.402 0.390 -6.479 1.00 1.00 C ATOM 451 CD1 ILE A 103 1.659 2.329 -4.343 1.00 1.00 C ATOM 0 H ILE A 103 3.115 -0.558 -7.258 1.00 1.00 H new ATOM 0 HA ILE A 103 1.078 1.110 -8.570 1.00 1.00 H new ATOM 0 HB ILE A 103 0.561 2.283 -6.516 1.00 1.00 H new ATOM 0 HG12 ILE A 103 1.272 0.225 -4.617 1.00 1.00 H new ATOM 0 HG13 ILE A 103 2.709 0.797 -5.440 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -0.993 0.618 -5.592 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -0.987 0.613 -7.371 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -0.135 -0.667 -6.475 1.00 1.00 H new ATOM 0 HD11 ILE A 103 2.242 2.171 -3.436 1.00 1.00 H new ATOM 0 HD12 ILE A 103 2.090 3.153 -4.912 1.00 1.00 H new ATOM 0 HD13 ILE A 103 0.630 2.571 -4.076 1.00 1.00 H new ATOM 462 N GLU A 104 3.051 2.434 -9.068 1.00 1.00 N ATOM 463 CA GLU A 104 4.141 3.350 -9.362 1.00 1.00 C ATOM 464 C GLU A 104 3.770 4.771 -8.931 1.00 1.00 C ATOM 465 O GLU A 104 2.756 5.311 -9.370 1.00 1.00 O ATOM 466 CB GLU A 104 4.511 3.305 -10.846 1.00 1.00 C ATOM 467 CG GLU A 104 3.391 3.892 -11.707 1.00 1.00 C ATOM 468 CD GLU A 104 3.696 3.718 -13.197 1.00 1.00 C ATOM 469 OE1 GLU A 104 3.656 2.589 -13.710 1.00 1.00 O ATOM 470 OE2 GLU A 104 3.984 4.807 -13.825 1.00 1.00 O ATOM 0 H GLU A 104 2.419 2.259 -9.849 1.00 1.00 H new ATOM 0 HA GLU A 104 5.017 3.036 -8.795 1.00 1.00 H new ATOM 0 HB2 GLU A 104 5.433 3.863 -11.012 1.00 1.00 H new ATOM 0 HB3 GLU A 104 4.703 2.275 -11.146 1.00 1.00 H new ATOM 0 HG2 GLU A 104 2.447 3.403 -11.466 1.00 1.00 H new ATOM 0 HG3 GLU A 104 3.269 4.951 -11.478 1.00 1.00 H new ATOM 476 N VAL A 105 4.613 5.335 -8.078 1.00 1.00 N ATOM 477 CA VAL A 105 4.387 6.683 -7.584 1.00 1.00 C ATOM 478 C VAL A 105 3.884 7.564 -8.729 1.00 1.00 C ATOM 479 O VAL A 105 4.599 7.786 -9.705 1.00 1.00 O ATOM 480 CB VAL A 105 5.661 7.221 -6.930 1.00 1.00 C ATOM 481 CG1 VAL A 105 5.435 8.622 -6.361 1.00 1.00 C ATOM 482 CG2 VAL A 105 6.168 6.266 -5.848 1.00 1.00 C ATOM 0 H VAL A 105 5.453 4.883 -7.717 1.00 1.00 H new ATOM 0 HA VAL A 105 3.617 6.683 -6.812 1.00 1.00 H new ATOM 0 HB VAL A 105 6.428 7.292 -7.701 1.00 1.00 H new ATOM 0 HG11 VAL A 105 6.356 8.981 -5.902 1.00 1.00 H new ATOM 0 HG12 VAL A 105 5.142 9.298 -7.164 1.00 1.00 H new ATOM 0 HG13 VAL A 105 4.645 8.587 -5.611 1.00 1.00 H new ATOM 0 HG21 VAL A 105 7.074 6.673 -5.399 1.00 1.00 H new ATOM 0 HG22 VAL A 105 5.404 6.148 -5.079 1.00 1.00 H new ATOM 0 HG23 VAL A 105 6.387 5.295 -6.293 1.00 1.00 H new ATOM 492 N GLY A 106 2.659 8.041 -8.572 1.00 1.00 N ATOM 493 CA GLY A 106 2.052 8.893 -9.581 1.00 1.00 C ATOM 494 C GLY A 106 0.921 8.163 -10.307 1.00 1.00 C ATOM 495 O GLY A 106 0.437 8.629 -11.338 1.00 1.00 O ATOM 0 H GLY A 106 2.069 7.854 -7.761 1.00 1.00 H new ATOM 0 HA2 GLY A 106 1.664 9.798 -9.113 1.00 1.00 H new ATOM 0 HA3 GLY A 106 2.808 9.206 -10.301 1.00 1.00 H new ATOM 499 N GLN A 107 0.532 7.030 -9.742 1.00 1.00 N ATOM 500 CA GLN A 107 -0.534 6.231 -10.322 1.00 1.00 C ATOM 501 C GLN A 107 -1.745 6.200 -9.387 1.00 1.00 C ATOM 502 O GLN A 107 -1.617 6.464 -8.192 1.00 1.00 O ATOM 503 CB GLN A 107 -0.048 4.815 -10.636 1.00 1.00 C ATOM 504 CG GLN A 107 -0.702 4.281 -11.912 1.00 1.00 C ATOM 505 CD GLN A 107 -0.888 2.763 -11.839 1.00 1.00 C ATOM 506 OE1 GLN A 107 -0.299 2.003 -12.589 1.00 1.00 O ATOM 507 NE2 GLN A 107 -1.739 2.368 -10.896 1.00 1.00 N ATOM 0 H GLN A 107 0.936 6.646 -8.888 1.00 1.00 H new ATOM 0 HA GLN A 107 -0.837 6.693 -11.261 1.00 1.00 H new ATOM 0 HB2 GLN A 107 1.036 4.816 -10.752 1.00 1.00 H new ATOM 0 HB3 GLN A 107 -0.279 4.154 -9.801 1.00 1.00 H new ATOM 0 HG2 GLN A 107 -1.669 4.763 -12.059 1.00 1.00 H new ATOM 0 HG3 GLN A 107 -0.086 4.534 -12.774 1.00 1.00 H new ATOM 0 HE21 GLN A 107 -2.198 3.058 -10.302 1.00 1.00 H new ATOM 0 HE22 GLN A 107 -1.932 1.375 -10.767 1.00 1.00 H new ATOM 514 N LYS A 108 -2.891 5.876 -9.967 1.00 1.00 N ATOM 515 CA LYS A 108 -4.124 5.808 -9.200 1.00 1.00 C ATOM 516 C LYS A 108 -4.511 4.342 -8.994 1.00 1.00 C ATOM 517 O LYS A 108 -3.985 3.457 -9.669 1.00 1.00 O ATOM 518 CB LYS A 108 -5.217 6.645 -9.867 1.00 1.00 C ATOM 519 CG LYS A 108 -5.609 6.053 -11.222 1.00 1.00 C ATOM 520 CD LYS A 108 -5.749 7.151 -12.280 1.00 1.00 C ATOM 521 CE LYS A 108 -5.632 6.570 -13.690 1.00 1.00 C ATOM 522 NZ LYS A 108 -4.286 6.825 -14.247 1.00 1.00 N ATOM 0 H LYS A 108 -2.992 5.658 -10.958 1.00 1.00 H new ATOM 0 HA LYS A 108 -3.982 6.243 -8.211 1.00 1.00 H new ATOM 0 HB2 LYS A 108 -6.092 6.690 -9.219 1.00 1.00 H new ATOM 0 HB3 LYS A 108 -4.866 7.668 -10.001 1.00 1.00 H new ATOM 0 HG2 LYS A 108 -4.856 5.331 -11.539 1.00 1.00 H new ATOM 0 HG3 LYS A 108 -6.550 5.511 -11.128 1.00 1.00 H new ATOM 0 HD2 LYS A 108 -6.712 7.650 -12.167 1.00 1.00 H new ATOM 0 HD3 LYS A 108 -4.979 7.907 -12.129 1.00 1.00 H new ATOM 0 HE2 LYS A 108 -5.824 5.497 -13.664 1.00 1.00 H new ATOM 0 HE3 LYS A 108 -6.389 7.014 -14.336 1.00 1.00 H new ATOM 0 HZ1 LYS A 108 -4.225 6.424 -15.204 1.00 1.00 H new ATOM 0 HZ2 LYS A 108 -4.117 7.850 -14.290 1.00 1.00 H new ATOM 0 HZ3 LYS A 108 -3.569 6.381 -13.639 1.00 1.00 H new ATOM 531 N VAL A 109 -5.428 4.130 -8.062 1.00 1.00 N ATOM 532 CA VAL A 109 -5.891 2.786 -7.759 1.00 1.00 C ATOM 533 C VAL A 109 -7.388 2.827 -7.444 1.00 1.00 C ATOM 534 O VAL A 109 -7.859 3.738 -6.765 1.00 1.00 O ATOM 535 CB VAL A 109 -5.058 2.189 -6.623 1.00 1.00 C ATOM 536 CG1 VAL A 109 -3.601 2.001 -7.053 1.00 1.00 C ATOM 537 CG2 VAL A 109 -5.151 3.050 -5.363 1.00 1.00 C ATOM 0 H VAL A 109 -5.863 4.866 -7.506 1.00 1.00 H new ATOM 0 HA VAL A 109 -5.757 2.132 -8.621 1.00 1.00 H new ATOM 0 HB VAL A 109 -5.468 1.207 -6.387 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -3.030 1.575 -6.228 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -3.558 1.328 -7.909 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -3.176 2.966 -7.329 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -4.550 2.603 -4.571 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -4.780 4.052 -5.579 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -6.190 3.110 -5.039 1.00 1.00 H new ATOM 547 N ASN A 110 -8.095 1.829 -7.954 1.00 1.00 N ATOM 548 CA ASN A 110 -9.528 1.739 -7.736 1.00 1.00 C ATOM 549 C ASN A 110 -9.836 0.491 -6.905 1.00 1.00 C ATOM 550 O ASN A 110 -9.149 -0.522 -7.023 1.00 1.00 O ATOM 551 CB ASN A 110 -10.280 1.621 -9.064 1.00 1.00 C ATOM 552 CG ASN A 110 -9.945 0.305 -9.769 1.00 1.00 C ATOM 553 OD1 ASN A 110 -8.866 0.117 -10.306 1.00 1.00 O ATOM 554 ND2 ASN A 110 -10.927 -0.590 -9.738 1.00 1.00 N ATOM 0 H ASN A 110 -7.701 1.076 -8.518 1.00 1.00 H new ATOM 0 HA ASN A 110 -9.848 2.643 -7.219 1.00 1.00 H new ATOM 0 HB2 ASN A 110 -11.354 1.678 -8.884 1.00 1.00 H new ATOM 0 HB3 ASN A 110 -10.019 2.460 -9.709 1.00 1.00 H new ATOM 0 HD21 ASN A 110 -10.802 -1.500 -10.182 1.00 1.00 H new ATOM 0 HD22 ASN A 110 -11.806 -0.367 -9.271 1.00 1.00 H new ATOM 560 N VAL A 111 -10.870 0.606 -6.086 1.00 1.00 N ATOM 561 CA VAL A 111 -11.278 -0.500 -5.236 1.00 1.00 C ATOM 562 C VAL A 111 -11.170 -1.808 -6.022 1.00 1.00 C ATOM 563 O VAL A 111 -11.954 -2.053 -6.938 1.00 1.00 O ATOM 564 CB VAL A 111 -12.683 -0.247 -4.685 1.00 1.00 C ATOM 565 CG1 VAL A 111 -13.365 -1.561 -4.297 1.00 1.00 C ATOM 566 CG2 VAL A 111 -12.643 0.721 -3.502 1.00 1.00 C ATOM 0 H VAL A 111 -11.438 1.448 -5.992 1.00 1.00 H new ATOM 0 HA VAL A 111 -10.616 -0.583 -4.374 1.00 1.00 H new ATOM 0 HB VAL A 111 -13.274 0.216 -5.475 1.00 1.00 H new ATOM 0 HG11 VAL A 111 -14.362 -1.353 -3.908 1.00 1.00 H new ATOM 0 HG12 VAL A 111 -13.444 -2.203 -5.175 1.00 1.00 H new ATOM 0 HG13 VAL A 111 -12.775 -2.065 -3.531 1.00 1.00 H new ATOM 0 HG21 VAL A 111 -13.655 0.883 -3.130 1.00 1.00 H new ATOM 0 HG22 VAL A 111 -12.027 0.299 -2.707 1.00 1.00 H new ATOM 0 HG23 VAL A 111 -12.218 1.672 -3.824 1.00 1.00 H new ATOM 576 N GLY A 112 -10.192 -2.614 -5.636 1.00 1.00 N ATOM 577 CA GLY A 112 -9.971 -3.891 -6.293 1.00 1.00 C ATOM 578 C GLY A 112 -8.627 -3.908 -7.023 1.00 1.00 C ATOM 579 O GLY A 112 -8.437 -4.675 -7.965 1.00 1.00 O ATOM 0 H GLY A 112 -9.543 -2.407 -4.876 1.00 1.00 H new ATOM 0 HA2 GLY A 112 -9.998 -4.693 -5.555 1.00 1.00 H new ATOM 0 HA3 GLY A 112 -10.776 -4.083 -7.002 1.00 1.00 H new ATOM 583 N ASP A 113 -7.728 -3.051 -6.560 1.00 1.00 N ATOM 584 CA ASP A 113 -6.406 -2.957 -7.156 1.00 1.00 C ATOM 585 C ASP A 113 -5.346 -3.154 -6.071 1.00 1.00 C ATOM 586 O ASP A 113 -5.429 -2.552 -5.001 1.00 1.00 O ATOM 587 CB ASP A 113 -6.184 -1.583 -7.791 1.00 1.00 C ATOM 588 CG ASP A 113 -6.552 -1.487 -9.272 1.00 1.00 C ATOM 589 OD1 ASP A 113 -7.591 -2.005 -9.708 1.00 1.00 O ATOM 590 OD2 ASP A 113 -5.708 -0.839 -10.002 1.00 1.00 O ATOM 0 H ASP A 113 -7.890 -2.415 -5.779 1.00 1.00 H new ATOM 0 HA ASP A 113 -6.328 -3.726 -7.925 1.00 1.00 H new ATOM 0 HB2 ASP A 113 -6.767 -0.846 -7.239 1.00 1.00 H new ATOM 0 HB3 ASP A 113 -5.135 -1.311 -7.675 1.00 1.00 H new ATOM 595 N THR A 114 -4.375 -3.998 -6.383 1.00 1.00 N ATOM 596 CA THR A 114 -3.300 -4.281 -5.448 1.00 1.00 C ATOM 597 C THR A 114 -2.561 -2.994 -5.078 1.00 1.00 C ATOM 598 O THR A 114 -2.371 -2.119 -5.922 1.00 1.00 O ATOM 599 CB THR A 114 -2.394 -5.343 -6.076 1.00 1.00 C ATOM 600 OG1 THR A 114 -3.284 -6.401 -6.416 1.00 1.00 O ATOM 601 CG2 THR A 114 -1.438 -5.971 -5.060 1.00 1.00 C ATOM 0 H THR A 114 -4.310 -4.496 -7.271 1.00 1.00 H new ATOM 0 HA THR A 114 -3.687 -4.677 -4.509 1.00 1.00 H new ATOM 0 HB THR A 114 -1.819 -4.897 -6.887 1.00 1.00 H new ATOM 0 HG1 THR A 114 -2.780 -7.132 -6.831 1.00 1.00 H new ATOM 0 HG21 THR A 114 -0.818 -6.717 -5.557 1.00 1.00 H new ATOM 0 HG22 THR A 114 -0.801 -5.196 -4.633 1.00 1.00 H new ATOM 0 HG23 THR A 114 -2.013 -6.447 -4.266 1.00 1.00 H new ATOM 609 N LEU A 115 -2.164 -2.918 -3.817 1.00 1.00 N ATOM 610 CA LEU A 115 -1.451 -1.752 -3.325 1.00 1.00 C ATOM 611 C LEU A 115 -0.012 -2.146 -2.983 1.00 1.00 C ATOM 612 O LEU A 115 0.905 -1.336 -3.113 1.00 1.00 O ATOM 613 CB LEU A 115 -2.207 -1.113 -2.159 1.00 1.00 C ATOM 614 CG LEU A 115 -2.329 -1.963 -0.892 1.00 1.00 C ATOM 615 CD1 LEU A 115 -1.335 -1.502 0.175 1.00 1.00 C ATOM 616 CD2 LEU A 115 -3.768 -1.968 -0.372 1.00 1.00 C ATOM 0 H LEU A 115 -2.323 -3.646 -3.120 1.00 1.00 H new ATOM 0 HA LEU A 115 -1.397 -0.985 -4.098 1.00 1.00 H new ATOM 0 HB2 LEU A 115 -1.711 -0.178 -1.899 1.00 1.00 H new ATOM 0 HB3 LEU A 115 -3.211 -0.857 -2.499 1.00 1.00 H new ATOM 0 HG LEU A 115 -2.075 -2.992 -1.145 1.00 1.00 H new ATOM 0 HD11 LEU A 115 -1.443 -2.122 1.065 1.00 1.00 H new ATOM 0 HD12 LEU A 115 -0.319 -1.593 -0.210 1.00 1.00 H new ATOM 0 HD13 LEU A 115 -1.534 -0.462 0.432 1.00 1.00 H new ATOM 0 HD21 LEU A 115 -3.827 -2.579 0.529 1.00 1.00 H new ATOM 0 HD22 LEU A 115 -4.074 -0.948 -0.139 1.00 1.00 H new ATOM 0 HD23 LEU A 115 -4.429 -2.380 -1.134 1.00 1.00 H new ATOM 627 N CYS A 116 0.140 -3.389 -2.552 1.00 1.00 N ATOM 628 CA CYS A 116 1.451 -3.901 -2.191 1.00 1.00 C ATOM 629 C CYS A 116 1.297 -5.364 -1.769 1.00 1.00 C ATOM 630 O CYS A 116 0.204 -5.923 -1.844 1.00 1.00 O ATOM 631 CB CYS A 116 2.105 -3.057 -1.094 1.00 1.00 C ATOM 632 SG CYS A 116 1.342 -3.435 0.526 1.00 1.00 S ATOM 0 H CYS A 116 -0.623 -4.057 -2.445 1.00 1.00 H new ATOM 0 HA CYS A 116 2.117 -3.841 -3.052 1.00 1.00 H new ATOM 0 HB2 CYS A 116 3.175 -3.260 -1.057 1.00 1.00 H new ATOM 0 HB3 CYS A 116 1.989 -1.997 -1.321 1.00 1.00 H new ATOM 0 HG CYS A 116 2.149 -3.075 1.480 1.00 1.00 H new ATOM 637 N ILE A 117 2.408 -5.941 -1.335 1.00 1.00 N ATOM 638 CA ILE A 117 2.409 -7.328 -0.901 1.00 1.00 C ATOM 639 C ILE A 117 2.985 -7.414 0.514 1.00 1.00 C ATOM 640 O ILE A 117 3.772 -6.562 0.921 1.00 1.00 O ATOM 641 CB ILE A 117 3.141 -8.206 -1.917 1.00 1.00 C ATOM 642 CG1 ILE A 117 2.701 -7.876 -3.345 1.00 1.00 C ATOM 643 CG2 ILE A 117 2.961 -9.690 -1.590 1.00 1.00 C ATOM 644 CD1 ILE A 117 1.185 -8.021 -3.499 1.00 1.00 C ATOM 0 H ILE A 117 3.313 -5.474 -1.275 1.00 1.00 H new ATOM 0 HA ILE A 117 1.391 -7.714 -0.855 1.00 1.00 H new ATOM 0 HB ILE A 117 4.207 -7.989 -1.850 1.00 1.00 H new ATOM 0 HG12 ILE A 117 3.000 -6.858 -3.595 1.00 1.00 H new ATOM 0 HG13 ILE A 117 3.207 -8.539 -4.047 1.00 1.00 H new ATOM 0 HG21 ILE A 117 3.491 -10.292 -2.328 1.00 1.00 H new ATOM 0 HG22 ILE A 117 3.363 -9.895 -0.598 1.00 1.00 H new ATOM 0 HG23 ILE A 117 1.901 -9.941 -1.611 1.00 1.00 H new ATOM 0 HD11 ILE A 117 0.899 -7.781 -4.523 1.00 1.00 H new ATOM 0 HD12 ILE A 117 0.893 -9.046 -3.271 1.00 1.00 H new ATOM 0 HD13 ILE A 117 0.683 -7.340 -2.812 1.00 1.00 H new ATOM 655 N VAL A 118 2.570 -8.453 1.225 1.00 1.00 N ATOM 656 CA VAL A 118 3.035 -8.663 2.585 1.00 1.00 C ATOM 657 C VAL A 118 3.468 -10.120 2.753 1.00 1.00 C ATOM 658 O VAL A 118 2.694 -11.037 2.485 1.00 1.00 O ATOM 659 CB VAL A 118 1.950 -8.243 3.579 1.00 1.00 C ATOM 660 CG1 VAL A 118 2.227 -8.819 4.969 1.00 1.00 C ATOM 661 CG2 VAL A 118 1.814 -6.720 3.633 1.00 1.00 C ATOM 0 H VAL A 118 1.917 -9.158 0.884 1.00 1.00 H new ATOM 0 HA VAL A 118 3.905 -8.040 2.791 1.00 1.00 H new ATOM 0 HB VAL A 118 1.001 -8.651 3.231 1.00 1.00 H new ATOM 0 HG11 VAL A 118 1.441 -8.505 5.656 1.00 1.00 H new ATOM 0 HG12 VAL A 118 2.248 -9.907 4.914 1.00 1.00 H new ATOM 0 HG13 VAL A 118 3.190 -8.455 5.328 1.00 1.00 H new ATOM 0 HG21 VAL A 118 1.036 -6.449 4.347 1.00 1.00 H new ATOM 0 HG22 VAL A 118 2.762 -6.281 3.945 1.00 1.00 H new ATOM 0 HG23 VAL A 118 1.547 -6.343 2.646 1.00 1.00 H new ATOM 671 N GLU A 119 4.706 -10.289 3.196 1.00 1.00 N ATOM 672 CA GLU A 119 5.252 -11.620 3.403 1.00 1.00 C ATOM 673 C GLU A 119 5.174 -12.001 4.882 1.00 1.00 C ATOM 674 O GLU A 119 5.469 -11.185 5.754 1.00 1.00 O ATOM 675 CB GLU A 119 6.690 -11.708 2.889 1.00 1.00 C ATOM 676 CG GLU A 119 6.915 -13.005 2.108 1.00 1.00 C ATOM 677 CD GLU A 119 8.117 -12.879 1.171 1.00 1.00 C ATOM 678 OE1 GLU A 119 9.235 -12.601 1.629 1.00 1.00 O ATOM 679 OE2 GLU A 119 7.859 -13.083 -0.078 1.00 1.00 O ATOM 0 H GLU A 119 5.346 -9.526 3.417 1.00 1.00 H new ATOM 0 HA GLU A 119 4.653 -12.330 2.833 1.00 1.00 H new ATOM 0 HB2 GLU A 119 6.904 -10.852 2.249 1.00 1.00 H new ATOM 0 HB3 GLU A 119 7.384 -11.660 3.728 1.00 1.00 H new ATOM 0 HG2 GLU A 119 7.076 -13.829 2.803 1.00 1.00 H new ATOM 0 HG3 GLU A 119 6.023 -13.245 1.530 1.00 1.00 H new ATOM 685 N ALA A 120 4.776 -13.242 5.120 1.00 1.00 N ATOM 686 CA ALA A 120 4.656 -13.742 6.479 1.00 1.00 C ATOM 687 C ALA A 120 5.348 -15.102 6.581 1.00 1.00 C ATOM 688 O ALA A 120 5.956 -15.567 5.618 1.00 1.00 O ATOM 689 CB ALA A 120 3.178 -13.810 6.870 1.00 1.00 C ATOM 0 H ALA A 120 4.532 -13.916 4.394 1.00 1.00 H new ATOM 0 HA ALA A 120 5.148 -13.068 7.180 1.00 1.00 H new ATOM 0 HB1 ALA A 120 3.088 -14.185 7.889 1.00 1.00 H new ATOM 0 HB2 ALA A 120 2.740 -12.814 6.810 1.00 1.00 H new ATOM 0 HB3 ALA A 120 2.652 -14.480 6.189 1.00 1.00 H new ATOM 695 N MET A 121 5.232 -15.703 7.756 1.00 1.00 N ATOM 696 CA MET A 121 5.840 -17.002 7.996 1.00 1.00 C ATOM 697 C MET A 121 5.559 -17.961 6.838 1.00 1.00 C ATOM 698 O MET A 121 4.543 -18.655 6.834 1.00 1.00 O ATOM 699 CB MET A 121 5.286 -17.593 9.294 1.00 1.00 C ATOM 700 CG MET A 121 3.756 -17.609 9.280 1.00 1.00 C ATOM 701 SD MET A 121 3.157 -19.186 9.864 1.00 1.00 S ATOM 702 CE MET A 121 1.397 -18.912 9.748 1.00 1.00 C ATOM 0 H MET A 121 4.726 -15.315 8.552 1.00 1.00 H new ATOM 0 HA MET A 121 6.919 -16.868 8.079 1.00 1.00 H new ATOM 0 HB2 MET A 121 5.663 -18.607 9.426 1.00 1.00 H new ATOM 0 HB3 MET A 121 5.639 -17.009 10.144 1.00 1.00 H new ATOM 0 HG2 MET A 121 3.370 -16.808 9.910 1.00 1.00 H new ATOM 0 HG3 MET A 121 3.391 -17.424 8.270 1.00 1.00 H new ATOM 0 HE1 MET A 121 0.867 -19.806 10.077 1.00 1.00 H new ATOM 0 HE2 MET A 121 1.117 -18.070 10.381 1.00 1.00 H new ATOM 0 HE3 MET A 121 1.130 -18.693 8.714 1.00 1.00 H new ATOM 710 N LYS A 122 6.476 -17.969 5.882 1.00 1.00 N ATOM 711 CA LYS A 122 6.340 -18.832 4.722 1.00 1.00 C ATOM 712 C LYS A 122 4.914 -18.728 4.179 1.00 1.00 C ATOM 713 O LYS A 122 4.274 -19.743 3.905 1.00 1.00 O ATOM 714 CB LYS A 122 6.766 -20.261 5.063 1.00 1.00 C ATOM 715 CG LYS A 122 7.471 -20.922 3.877 1.00 1.00 C ATOM 716 CD LYS A 122 7.888 -22.354 4.215 1.00 1.00 C ATOM 717 CE LYS A 122 6.813 -23.355 3.787 1.00 1.00 C ATOM 718 NZ LYS A 122 5.851 -23.586 4.888 1.00 1.00 N ATOM 0 H LYS A 122 7.316 -17.391 5.887 1.00 1.00 H new ATOM 0 HA LYS A 122 7.009 -18.507 3.925 1.00 1.00 H new ATOM 0 HB2 LYS A 122 7.432 -20.249 5.926 1.00 1.00 H new ATOM 0 HB3 LYS A 122 5.891 -20.848 5.343 1.00 1.00 H new ATOM 0 HG2 LYS A 122 6.808 -20.927 3.012 1.00 1.00 H new ATOM 0 HG3 LYS A 122 8.350 -20.339 3.601 1.00 1.00 H new ATOM 0 HD2 LYS A 122 8.828 -22.590 3.717 1.00 1.00 H new ATOM 0 HD3 LYS A 122 8.065 -22.441 5.287 1.00 1.00 H new ATOM 0 HE2 LYS A 122 6.287 -22.979 2.909 1.00 1.00 H new ATOM 0 HE3 LYS A 122 7.279 -24.298 3.500 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 5.373 -24.498 4.745 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 6.359 -23.599 5.796 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 5.145 -22.823 4.898 1.00 1.00 H new ATOM 727 N MET A 123 4.456 -17.493 4.039 1.00 1.00 N ATOM 728 CA MET A 123 3.116 -17.244 3.534 1.00 1.00 C ATOM 729 C MET A 123 3.013 -15.845 2.922 1.00 1.00 C ATOM 730 O MET A 123 3.131 -14.844 3.627 1.00 1.00 O ATOM 731 CB MET A 123 2.107 -17.377 4.676 1.00 1.00 C ATOM 732 CG MET A 123 1.253 -18.635 4.510 1.00 1.00 C ATOM 733 SD MET A 123 -0.299 -18.221 3.731 1.00 1.00 S ATOM 734 CE MET A 123 -0.421 -19.556 2.553 1.00 1.00 C ATOM 0 H MET A 123 4.989 -16.653 4.266 1.00 1.00 H new ATOM 0 HA MET A 123 2.898 -17.977 2.758 1.00 1.00 H new ATOM 0 HB2 MET A 123 2.634 -17.414 5.629 1.00 1.00 H new ATOM 0 HB3 MET A 123 1.464 -16.497 4.702 1.00 1.00 H new ATOM 0 HG2 MET A 123 1.787 -19.370 3.908 1.00 1.00 H new ATOM 0 HG3 MET A 123 1.071 -19.092 5.483 1.00 1.00 H new ATOM 0 HE1 MET A 123 -1.341 -19.450 1.977 1.00 1.00 H new ATOM 0 HE2 MET A 123 0.435 -19.526 1.879 1.00 1.00 H new ATOM 0 HE3 MET A 123 -0.432 -20.509 3.083 1.00 1.00 H new ATOM 742 N MET A 124 2.795 -15.821 1.615 1.00 1.00 N ATOM 743 CA MET A 124 2.674 -14.563 0.898 1.00 1.00 C ATOM 744 C MET A 124 1.229 -14.062 0.911 1.00 1.00 C ATOM 745 O MET A 124 0.293 -14.851 0.802 1.00 1.00 O ATOM 746 CB MET A 124 3.138 -14.751 -0.547 1.00 1.00 C ATOM 747 CG MET A 124 3.957 -13.549 -1.021 1.00 1.00 C ATOM 748 SD MET A 124 4.487 -13.799 -2.708 1.00 1.00 S ATOM 749 CE MET A 124 5.897 -12.704 -2.755 1.00 1.00 C ATOM 0 H MET A 124 2.699 -16.654 1.034 1.00 1.00 H new ATOM 0 HA MET A 124 3.300 -13.822 1.395 1.00 1.00 H new ATOM 0 HB2 MET A 124 3.738 -15.658 -0.625 1.00 1.00 H new ATOM 0 HB3 MET A 124 2.273 -14.885 -1.196 1.00 1.00 H new ATOM 0 HG2 MET A 124 3.359 -12.640 -0.950 1.00 1.00 H new ATOM 0 HG3 MET A 124 4.824 -13.412 -0.375 1.00 1.00 H new ATOM 0 HE1 MET A 124 6.057 -12.360 -3.777 1.00 1.00 H new ATOM 0 HE2 MET A 124 5.713 -11.846 -2.108 1.00 1.00 H new ATOM 0 HE3 MET A 124 6.783 -13.236 -2.409 1.00 1.00 H new ATOM 757 N ASN A 125 1.092 -12.750 1.045 1.00 1.00 N ATOM 758 CA ASN A 125 -0.224 -12.134 1.073 1.00 1.00 C ATOM 759 C ASN A 125 -0.208 -10.868 0.214 1.00 1.00 C ATOM 760 O ASN A 125 0.847 -10.272 0.001 1.00 1.00 O ATOM 761 CB ASN A 125 -0.615 -11.734 2.497 1.00 1.00 C ATOM 762 CG ASN A 125 -0.705 -12.961 3.407 1.00 1.00 C ATOM 763 OD1 ASN A 125 0.473 -13.404 3.837 1.00 1.00 O flip ATOM 764 ND2 ASN A 125 -1.773 -13.472 3.698 1.00 1.00 N flip ATOM 0 H ASN A 125 1.871 -12.097 1.135 1.00 1.00 H new ATOM 0 HA ASN A 125 -0.943 -12.859 0.692 1.00 1.00 H new ATOM 0 HB2 ASN A 125 0.119 -11.034 2.896 1.00 1.00 H new ATOM 0 HB3 ASN A 125 -1.574 -11.216 2.483 1.00 1.00 H new ATOM 0 HD21 ASN A 125 -2.642 -13.081 3.333 1.00 1.00 H new ATOM 0 HD22 ASN A 125 -1.798 -14.290 4.306 1.00 1.00 H new ATOM 770 N GLN A 126 -1.389 -10.495 -0.255 1.00 1.00 N ATOM 771 CA GLN A 126 -1.523 -9.310 -1.086 1.00 1.00 C ATOM 772 C GLN A 126 -2.497 -8.320 -0.445 1.00 1.00 C ATOM 773 O GLN A 126 -3.499 -8.723 0.146 1.00 1.00 O ATOM 774 CB GLN A 126 -1.972 -9.681 -2.502 1.00 1.00 C ATOM 775 CG GLN A 126 -0.843 -10.371 -3.271 1.00 1.00 C ATOM 776 CD GLN A 126 -1.202 -11.823 -3.590 1.00 1.00 C ATOM 777 OE1 GLN A 126 -1.825 -12.521 -2.807 1.00 1.00 O ATOM 778 NE2 GLN A 126 -0.779 -12.236 -4.781 1.00 1.00 N ATOM 0 H GLN A 126 -2.262 -10.992 -0.076 1.00 1.00 H new ATOM 0 HA GLN A 126 -0.547 -8.832 -1.163 1.00 1.00 H new ATOM 0 HB2 GLN A 126 -2.839 -10.340 -2.452 1.00 1.00 H new ATOM 0 HB3 GLN A 126 -2.285 -8.783 -3.035 1.00 1.00 H new ATOM 0 HG2 GLN A 126 -0.646 -9.830 -4.197 1.00 1.00 H new ATOM 0 HG3 GLN A 126 0.074 -10.341 -2.682 1.00 1.00 H new ATOM 0 HE21 GLN A 126 -0.262 -11.599 -5.388 1.00 1.00 H new ATOM 0 HE22 GLN A 126 -0.971 -13.189 -5.088 1.00 1.00 H new ATOM 785 N ILE A 127 -2.170 -7.044 -0.583 1.00 1.00 N ATOM 786 CA ILE A 127 -3.003 -5.992 -0.025 1.00 1.00 C ATOM 787 C ILE A 127 -3.770 -5.302 -1.154 1.00 1.00 C ATOM 788 O ILE A 127 -3.169 -4.682 -2.030 1.00 1.00 O ATOM 789 CB ILE A 127 -2.162 -5.036 0.823 1.00 1.00 C ATOM 790 CG1 ILE A 127 -1.182 -5.806 1.710 1.00 1.00 C ATOM 791 CG2 ILE A 127 -3.055 -4.096 1.636 1.00 1.00 C ATOM 792 CD1 ILE A 127 -0.495 -4.872 2.707 1.00 1.00 C ATOM 0 H ILE A 127 -1.339 -6.714 -1.074 1.00 1.00 H new ATOM 0 HA ILE A 127 -3.745 -6.413 0.653 1.00 1.00 H new ATOM 0 HB ILE A 127 -1.568 -4.416 0.152 1.00 1.00 H new ATOM 0 HG12 ILE A 127 -1.713 -6.591 2.248 1.00 1.00 H new ATOM 0 HG13 ILE A 127 -0.432 -6.296 1.089 1.00 1.00 H new ATOM 0 HG21 ILE A 127 -2.433 -3.427 2.230 1.00 1.00 H new ATOM 0 HG22 ILE A 127 -3.676 -3.509 0.960 1.00 1.00 H new ATOM 0 HG23 ILE A 127 -3.693 -4.682 2.298 1.00 1.00 H new ATOM 0 HD11 ILE A 127 0.196 -5.445 3.325 1.00 1.00 H new ATOM 0 HD12 ILE A 127 0.055 -4.102 2.165 1.00 1.00 H new ATOM 0 HD13 ILE A 127 -1.246 -4.402 3.342 1.00 1.00 H new ATOM 803 N GLU A 128 -5.087 -5.432 -1.097 1.00 1.00 N ATOM 804 CA GLU A 128 -5.944 -4.828 -2.105 1.00 1.00 C ATOM 805 C GLU A 128 -6.530 -3.514 -1.584 1.00 1.00 C ATOM 806 O GLU A 128 -7.104 -3.475 -0.497 1.00 1.00 O ATOM 807 CB GLU A 128 -7.053 -5.792 -2.532 1.00 1.00 C ATOM 808 CG GLU A 128 -8.109 -5.074 -3.374 1.00 1.00 C ATOM 809 CD GLU A 128 -9.294 -5.995 -3.668 1.00 1.00 C ATOM 810 OE1 GLU A 128 -9.341 -6.625 -4.735 1.00 1.00 O ATOM 811 OE2 GLU A 128 -10.189 -6.044 -2.740 1.00 1.00 O ATOM 0 H GLU A 128 -5.582 -5.947 -0.369 1.00 1.00 H new ATOM 0 HA GLU A 128 -5.339 -4.610 -2.985 1.00 1.00 H new ATOM 0 HB2 GLU A 128 -6.624 -6.615 -3.104 1.00 1.00 H new ATOM 0 HB3 GLU A 128 -7.521 -6.228 -1.649 1.00 1.00 H new ATOM 0 HG2 GLU A 128 -8.456 -4.185 -2.847 1.00 1.00 H new ATOM 0 HG3 GLU A 128 -7.665 -4.737 -4.310 1.00 1.00 H new ATOM 817 N ALA A 129 -6.365 -2.471 -2.384 1.00 1.00 N ATOM 818 CA ALA A 129 -6.871 -1.159 -2.019 1.00 1.00 C ATOM 819 C ALA A 129 -8.248 -1.312 -1.370 1.00 1.00 C ATOM 820 O ALA A 129 -9.106 -2.027 -1.887 1.00 1.00 O ATOM 821 CB ALA A 129 -6.905 -0.262 -3.257 1.00 1.00 C ATOM 0 H ALA A 129 -5.887 -2.508 -3.285 1.00 1.00 H new ATOM 0 HA ALA A 129 -6.215 -0.683 -1.291 1.00 1.00 H new ATOM 0 HB1 ALA A 129 -7.285 0.722 -2.983 1.00 1.00 H new ATOM 0 HB2 ALA A 129 -5.898 -0.163 -3.662 1.00 1.00 H new ATOM 0 HB3 ALA A 129 -7.557 -0.705 -4.010 1.00 1.00 H new ATOM 827 N ASP A 130 -8.418 -0.626 -0.249 1.00 1.00 N ATOM 828 CA ASP A 130 -9.677 -0.677 0.476 1.00 1.00 C ATOM 829 C ASP A 130 -10.389 0.671 0.346 1.00 1.00 C ATOM 830 O ASP A 130 -11.330 0.954 1.086 1.00 1.00 O ATOM 831 CB ASP A 130 -9.446 -0.949 1.963 1.00 1.00 C ATOM 832 CG ASP A 130 -10.718 -1.164 2.786 1.00 1.00 C ATOM 833 OD1 ASP A 130 -11.738 -1.647 2.271 1.00 1.00 O ATOM 834 OD2 ASP A 130 -10.634 -0.809 4.023 1.00 1.00 O ATOM 0 H ASP A 130 -7.705 -0.032 0.175 1.00 1.00 H new ATOM 0 HA ASP A 130 -10.278 -1.481 0.052 1.00 1.00 H new ATOM 0 HB2 ASP A 130 -8.814 -1.831 2.062 1.00 1.00 H new ATOM 0 HB3 ASP A 130 -8.893 -0.112 2.389 1.00 1.00 H new ATOM 839 N LYS A 131 -9.912 1.468 -0.599 1.00 1.00 N ATOM 840 CA LYS A 131 -10.490 2.780 -0.835 1.00 1.00 C ATOM 841 C LYS A 131 -9.739 3.467 -1.976 1.00 1.00 C ATOM 842 O LYS A 131 -8.670 4.038 -1.765 1.00 1.00 O ATOM 843 CB LYS A 131 -10.518 3.594 0.460 1.00 1.00 C ATOM 844 CG LYS A 131 -11.835 4.361 0.598 1.00 1.00 C ATOM 845 CD LYS A 131 -11.581 5.822 0.974 1.00 1.00 C ATOM 846 CE LYS A 131 -12.843 6.465 1.554 1.00 1.00 C ATOM 847 NZ LYS A 131 -13.865 6.643 0.498 1.00 1.00 N ATOM 0 H LYS A 131 -9.131 1.230 -1.211 1.00 1.00 H new ATOM 0 HA LYS A 131 -11.530 2.686 -1.149 1.00 1.00 H new ATOM 0 HB2 LYS A 131 -10.389 2.929 1.314 1.00 1.00 H new ATOM 0 HB3 LYS A 131 -9.683 4.294 0.472 1.00 1.00 H new ATOM 0 HG2 LYS A 131 -12.388 4.314 -0.340 1.00 1.00 H new ATOM 0 HG3 LYS A 131 -12.457 3.889 1.358 1.00 1.00 H new ATOM 0 HD2 LYS A 131 -10.772 5.879 1.702 1.00 1.00 H new ATOM 0 HD3 LYS A 131 -11.257 6.377 0.094 1.00 1.00 H new ATOM 0 HE2 LYS A 131 -13.242 5.841 2.353 1.00 1.00 H new ATOM 0 HE3 LYS A 131 -12.596 7.430 1.996 1.00 1.00 H new ATOM 0 HZ1 LYS A 131 -14.715 7.080 0.908 1.00 1.00 H new ATOM 0 HZ2 LYS A 131 -13.487 7.257 -0.251 1.00 1.00 H new ATOM 0 HZ3 LYS A 131 -14.112 5.717 0.095 1.00 1.00 H new ATOM 856 N SER A 132 -10.325 3.387 -3.162 1.00 1.00 N ATOM 857 CA SER A 132 -9.725 3.994 -4.337 1.00 1.00 C ATOM 858 C SER A 132 -9.104 5.344 -3.969 1.00 1.00 C ATOM 859 O SER A 132 -9.648 6.076 -3.145 1.00 1.00 O ATOM 860 CB SER A 132 -10.755 4.169 -5.454 1.00 1.00 C ATOM 861 OG SER A 132 -11.538 2.995 -5.647 1.00 1.00 O ATOM 0 H SER A 132 -11.210 2.910 -3.334 1.00 1.00 H new ATOM 0 HA SER A 132 -8.943 3.330 -4.704 1.00 1.00 H new ATOM 0 HB2 SER A 132 -11.410 5.006 -5.215 1.00 1.00 H new ATOM 0 HB3 SER A 132 -10.243 4.420 -6.383 1.00 1.00 H new ATOM 0 HG SER A 132 -11.959 3.024 -6.531 1.00 1.00 H new ATOM 866 N GLY A 133 -7.976 5.632 -4.600 1.00 1.00 N ATOM 867 CA GLY A 133 -7.276 6.881 -4.351 1.00 1.00 C ATOM 868 C GLY A 133 -5.962 6.938 -5.131 1.00 1.00 C ATOM 869 O GLY A 133 -5.670 6.049 -5.929 1.00 1.00 O ATOM 0 H GLY A 133 -7.529 5.022 -5.284 1.00 1.00 H new ATOM 0 HA2 GLY A 133 -7.910 7.720 -4.637 1.00 1.00 H new ATOM 0 HA3 GLY A 133 -7.075 6.983 -3.285 1.00 1.00 H new ATOM 873 N THR A 134 -5.204 7.995 -4.874 1.00 1.00 N ATOM 874 CA THR A 134 -3.927 8.180 -5.543 1.00 1.00 C ATOM 875 C THR A 134 -2.781 8.113 -4.532 1.00 1.00 C ATOM 876 O THR A 134 -2.988 8.322 -3.338 1.00 1.00 O ATOM 877 CB THR A 134 -3.983 9.502 -6.311 1.00 1.00 C ATOM 878 OG1 THR A 134 -4.937 9.264 -7.343 1.00 1.00 O ATOM 879 CG2 THR A 134 -2.686 9.796 -7.066 1.00 1.00 C ATOM 0 H THR A 134 -5.450 8.731 -4.212 1.00 1.00 H new ATOM 0 HA THR A 134 -3.735 7.380 -6.258 1.00 1.00 H new ATOM 0 HB THR A 134 -4.192 10.316 -5.617 1.00 1.00 H new ATOM 0 HG1 THR A 134 -5.037 10.072 -7.889 1.00 1.00 H new ATOM 0 HG21 THR A 134 -2.779 10.745 -7.594 1.00 1.00 H new ATOM 0 HG22 THR A 134 -1.858 9.854 -6.359 1.00 1.00 H new ATOM 0 HG23 THR A 134 -2.494 8.999 -7.784 1.00 1.00 H new ATOM 887 N VAL A 135 -1.595 7.821 -5.048 1.00 1.00 N ATOM 888 CA VAL A 135 -0.416 7.723 -4.205 1.00 1.00 C ATOM 889 C VAL A 135 -0.330 8.963 -3.312 1.00 1.00 C ATOM 890 O VAL A 135 -0.976 9.974 -3.582 1.00 1.00 O ATOM 891 CB VAL A 135 0.830 7.522 -5.070 1.00 1.00 C ATOM 892 CG1 VAL A 135 1.182 8.802 -5.832 1.00 1.00 C ATOM 893 CG2 VAL A 135 2.012 7.045 -4.225 1.00 1.00 C ATOM 0 H VAL A 135 -1.426 7.649 -6.039 1.00 1.00 H new ATOM 0 HA VAL A 135 -0.485 6.854 -3.550 1.00 1.00 H new ATOM 0 HB VAL A 135 0.607 6.747 -5.803 1.00 1.00 H new ATOM 0 HG11 VAL A 135 2.071 8.631 -6.439 1.00 1.00 H new ATOM 0 HG12 VAL A 135 0.350 9.081 -6.478 1.00 1.00 H new ATOM 0 HG13 VAL A 135 1.376 9.606 -5.122 1.00 1.00 H new ATOM 0 HG21 VAL A 135 2.885 6.910 -4.864 1.00 1.00 H new ATOM 0 HG22 VAL A 135 2.235 7.788 -3.459 1.00 1.00 H new ATOM 0 HG23 VAL A 135 1.760 6.097 -3.749 1.00 1.00 H new ATOM 903 N LYS A 136 0.474 8.843 -2.265 1.00 1.00 N ATOM 904 CA LYS A 136 0.654 9.942 -1.331 1.00 1.00 C ATOM 905 C LYS A 136 2.105 9.961 -0.847 1.00 1.00 C ATOM 906 O LYS A 136 2.762 11.001 -0.886 1.00 1.00 O ATOM 907 CB LYS A 136 -0.370 9.854 -0.198 1.00 1.00 C ATOM 908 CG LYS A 136 -0.946 11.234 0.129 1.00 1.00 C ATOM 909 CD LYS A 136 0.142 12.169 0.660 1.00 1.00 C ATOM 910 CE LYS A 136 -0.472 13.374 1.376 1.00 1.00 C ATOM 911 NZ LYS A 136 0.584 14.202 1.999 1.00 1.00 N ATOM 0 H LYS A 136 1.007 8.002 -2.043 1.00 1.00 H new ATOM 0 HA LYS A 136 0.469 10.896 -1.825 1.00 1.00 H new ATOM 0 HB2 LYS A 136 -1.176 9.178 -0.483 1.00 1.00 H new ATOM 0 HB3 LYS A 136 0.100 9.433 0.690 1.00 1.00 H new ATOM 0 HG2 LYS A 136 -1.397 11.665 -0.765 1.00 1.00 H new ATOM 0 HG3 LYS A 136 -1.739 11.135 0.870 1.00 1.00 H new ATOM 0 HD2 LYS A 136 0.791 11.625 1.347 1.00 1.00 H new ATOM 0 HD3 LYS A 136 0.767 12.511 -0.165 1.00 1.00 H new ATOM 0 HE2 LYS A 136 -1.041 13.974 0.666 1.00 1.00 H new ATOM 0 HE3 LYS A 136 -1.172 13.033 2.139 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 0.149 15.015 2.480 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 1.110 13.631 2.691 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 1.236 14.543 1.264 1.00 1.00 H new ATOM 920 N ALA A 137 2.563 8.800 -0.402 1.00 1.00 N ATOM 921 CA ALA A 137 3.924 8.672 0.089 1.00 1.00 C ATOM 922 C ALA A 137 4.121 7.271 0.674 1.00 1.00 C ATOM 923 O ALA A 137 3.289 6.794 1.445 1.00 1.00 O ATOM 924 CB ALA A 137 4.205 9.775 1.111 1.00 1.00 C ATOM 0 H ALA A 137 2.016 7.940 -0.371 1.00 1.00 H new ATOM 0 HA ALA A 137 4.638 8.793 -0.725 1.00 1.00 H new ATOM 0 HB1 ALA A 137 5.226 9.678 1.479 1.00 1.00 H new ATOM 0 HB2 ALA A 137 4.080 10.749 0.638 1.00 1.00 H new ATOM 0 HB3 ALA A 137 3.509 9.684 1.945 1.00 1.00 H new ATOM 930 N ILE A 138 5.225 6.651 0.285 1.00 1.00 N ATOM 931 CA ILE A 138 5.541 5.315 0.760 1.00 1.00 C ATOM 932 C ILE A 138 6.604 5.408 1.856 1.00 1.00 C ATOM 933 O ILE A 138 7.662 6.002 1.653 1.00 1.00 O ATOM 934 CB ILE A 138 5.939 4.411 -0.408 1.00 1.00 C ATOM 935 CG1 ILE A 138 5.226 4.831 -1.694 1.00 1.00 C ATOM 936 CG2 ILE A 138 5.692 2.940 -0.070 1.00 1.00 C ATOM 937 CD1 ILE A 138 5.999 5.940 -2.413 1.00 1.00 C ATOM 0 H ILE A 138 5.912 7.050 -0.354 1.00 1.00 H new ATOM 0 HA ILE A 138 4.662 4.851 1.206 1.00 1.00 H new ATOM 0 HB ILE A 138 7.009 4.527 -0.581 1.00 1.00 H new ATOM 0 HG12 ILE A 138 5.121 3.970 -2.354 1.00 1.00 H new ATOM 0 HG13 ILE A 138 4.220 5.178 -1.459 1.00 1.00 H new ATOM 0 HG21 ILE A 138 5.983 2.318 -0.917 1.00 1.00 H new ATOM 0 HG22 ILE A 138 6.283 2.663 0.803 1.00 1.00 H new ATOM 0 HG23 ILE A 138 4.634 2.789 0.145 1.00 1.00 H new ATOM 0 HD11 ILE A 138 5.470 6.220 -3.324 1.00 1.00 H new ATOM 0 HD12 ILE A 138 6.081 6.809 -1.760 1.00 1.00 H new ATOM 0 HD13 ILE A 138 6.996 5.582 -2.668 1.00 1.00 H new ATOM 948 N LEU A 139 6.288 4.810 2.996 1.00 1.00 N ATOM 949 CA LEU A 139 7.202 4.816 4.125 1.00 1.00 C ATOM 950 C LEU A 139 8.010 3.517 4.128 1.00 1.00 C ATOM 951 O LEU A 139 9.224 3.537 4.328 1.00 1.00 O ATOM 952 CB LEU A 139 6.443 5.072 5.428 1.00 1.00 C ATOM 953 CG LEU A 139 5.005 5.570 5.279 1.00 1.00 C ATOM 954 CD1 LEU A 139 4.402 5.921 6.642 1.00 1.00 C ATOM 955 CD2 LEU A 139 4.929 6.743 4.299 1.00 1.00 C ATOM 0 H LEU A 139 5.410 4.318 3.161 1.00 1.00 H new ATOM 0 HA LEU A 139 7.915 5.635 4.033 1.00 1.00 H new ATOM 0 HB2 LEU A 139 6.428 4.147 6.005 1.00 1.00 H new ATOM 0 HB3 LEU A 139 7.001 5.803 6.013 1.00 1.00 H new ATOM 0 HG LEU A 139 4.406 4.762 4.860 1.00 1.00 H new ATOM 0 HD11 LEU A 139 3.379 6.272 6.508 1.00 1.00 H new ATOM 0 HD12 LEU A 139 4.401 5.036 7.278 1.00 1.00 H new ATOM 0 HD13 LEU A 139 4.996 6.705 7.112 1.00 1.00 H new ATOM 0 HD21 LEU A 139 3.895 7.078 4.212 1.00 1.00 H new ATOM 0 HD22 LEU A 139 5.546 7.563 4.665 1.00 1.00 H new ATOM 0 HD23 LEU A 139 5.291 6.424 3.321 1.00 1.00 H new ATOM 966 N VAL A 140 7.305 2.418 3.906 1.00 1.00 N ATOM 967 CA VAL A 140 7.941 1.112 3.881 1.00 1.00 C ATOM 968 C VAL A 140 8.765 0.975 2.598 1.00 1.00 C ATOM 969 O VAL A 140 8.541 1.702 1.632 1.00 1.00 O ATOM 970 CB VAL A 140 6.888 0.014 4.035 1.00 1.00 C ATOM 971 CG1 VAL A 140 5.844 0.094 2.919 1.00 1.00 C ATOM 972 CG2 VAL A 140 7.541 -1.370 4.076 1.00 1.00 C ATOM 0 H VAL A 140 6.298 2.405 3.742 1.00 1.00 H new ATOM 0 HA VAL A 140 8.627 1.005 4.721 1.00 1.00 H new ATOM 0 HB VAL A 140 6.376 0.172 4.984 1.00 1.00 H new ATOM 0 HG11 VAL A 140 5.107 -0.698 3.053 1.00 1.00 H new ATOM 0 HG12 VAL A 140 5.346 1.063 2.956 1.00 1.00 H new ATOM 0 HG13 VAL A 140 6.334 -0.026 1.953 1.00 1.00 H new ATOM 0 HG21 VAL A 140 6.770 -2.133 4.186 1.00 1.00 H new ATOM 0 HG22 VAL A 140 8.091 -1.540 3.150 1.00 1.00 H new ATOM 0 HG23 VAL A 140 8.228 -1.423 4.921 1.00 1.00 H new ATOM 982 N GLU A 141 9.701 0.038 2.631 1.00 1.00 N ATOM 983 CA GLU A 141 10.559 -0.204 1.484 1.00 1.00 C ATOM 984 C GLU A 141 10.433 -1.658 1.024 1.00 1.00 C ATOM 985 O GLU A 141 10.365 -2.569 1.848 1.00 1.00 O ATOM 986 CB GLU A 141 12.013 0.147 1.804 1.00 1.00 C ATOM 987 CG GLU A 141 12.613 1.041 0.716 1.00 1.00 C ATOM 988 CD GLU A 141 14.072 1.378 1.027 1.00 1.00 C ATOM 989 OE1 GLU A 141 14.352 2.062 2.023 1.00 1.00 O ATOM 990 OE2 GLU A 141 14.932 0.902 0.192 1.00 1.00 O ATOM 0 H GLU A 141 9.884 -0.563 3.435 1.00 1.00 H new ATOM 0 HA GLU A 141 10.235 0.443 0.669 1.00 1.00 H new ATOM 0 HB2 GLU A 141 12.065 0.655 2.767 1.00 1.00 H new ATOM 0 HB3 GLU A 141 12.600 -0.767 1.894 1.00 1.00 H new ATOM 0 HG2 GLU A 141 12.550 0.538 -0.249 1.00 1.00 H new ATOM 0 HG3 GLU A 141 12.033 1.960 0.635 1.00 1.00 H new ATOM 996 N SER A 142 10.406 -1.829 -0.289 1.00 1.00 N ATOM 997 CA SER A 142 10.290 -3.157 -0.868 1.00 1.00 C ATOM 998 C SER A 142 11.307 -4.101 -0.222 1.00 1.00 C ATOM 999 O SER A 142 12.488 -4.076 -0.567 1.00 1.00 O ATOM 1000 CB SER A 142 10.492 -3.117 -2.384 1.00 1.00 C ATOM 1001 OG SER A 142 11.821 -2.743 -2.736 1.00 1.00 O ATOM 0 H SER A 142 10.462 -1.071 -0.969 1.00 1.00 H new ATOM 0 HA SER A 142 9.284 -3.528 -0.672 1.00 1.00 H new ATOM 0 HB2 SER A 142 10.267 -4.097 -2.806 1.00 1.00 H new ATOM 0 HB3 SER A 142 9.788 -2.411 -2.825 1.00 1.00 H new ATOM 0 HG SER A 142 12.441 -3.047 -2.041 1.00 1.00 H new ATOM 1006 N GLY A 143 10.812 -4.910 0.703 1.00 1.00 N ATOM 1007 CA GLY A 143 11.664 -5.859 1.400 1.00 1.00 C ATOM 1008 C GLY A 143 11.651 -5.602 2.908 1.00 1.00 C ATOM 1009 O GLY A 143 11.710 -6.541 3.701 1.00 1.00 O ATOM 0 H GLY A 143 9.832 -4.928 0.986 1.00 1.00 H new ATOM 0 HA2 GLY A 143 11.325 -6.875 1.198 1.00 1.00 H new ATOM 0 HA3 GLY A 143 12.684 -5.783 1.023 1.00 1.00 H new ATOM 1013 N GLN A 144 11.571 -4.328 3.259 1.00 1.00 N ATOM 1014 CA GLN A 144 11.549 -3.936 4.658 1.00 1.00 C ATOM 1015 C GLN A 144 10.459 -4.705 5.407 1.00 1.00 C ATOM 1016 O GLN A 144 9.448 -5.087 4.819 1.00 1.00 O ATOM 1017 CB GLN A 144 11.353 -2.426 4.803 1.00 1.00 C ATOM 1018 CG GLN A 144 12.605 -1.763 5.382 1.00 1.00 C ATOM 1019 CD GLN A 144 13.687 -1.606 4.312 1.00 1.00 C ATOM 1020 OE1 GLN A 144 13.888 -0.348 3.928 1.00 1.00 O flip ATOM 1021 NE2 GLN A 144 14.299 -2.562 3.866 1.00 1.00 N flip ATOM 0 H GLN A 144 11.521 -3.553 2.598 1.00 1.00 H new ATOM 0 HA GLN A 144 12.513 -4.187 5.100 1.00 1.00 H new ATOM 0 HB2 GLN A 144 11.123 -1.991 3.830 1.00 1.00 H new ATOM 0 HB3 GLN A 144 10.499 -2.227 5.451 1.00 1.00 H new ATOM 0 HG2 GLN A 144 12.348 -0.786 5.790 1.00 1.00 H new ATOM 0 HG3 GLN A 144 12.989 -2.362 6.208 1.00 1.00 H new ATOM 0 HE21 GLN A 144 14.094 -3.502 4.205 1.00 1.00 H new ATOM 0 HE22 GLN A 144 15.015 -2.422 3.154 1.00 1.00 H new ATOM 1028 N PRO A 145 10.706 -4.913 6.728 1.00 1.00 N ATOM 1029 CA PRO A 145 9.756 -5.628 7.563 1.00 1.00 C ATOM 1030 C PRO A 145 8.545 -4.752 7.892 1.00 1.00 C ATOM 1031 O PRO A 145 8.559 -3.549 7.638 1.00 1.00 O ATOM 1032 CB PRO A 145 10.547 -6.036 8.796 1.00 1.00 C ATOM 1033 CG PRO A 145 11.775 -5.141 8.819 1.00 1.00 C ATOM 1034 CD PRO A 145 11.891 -4.474 7.459 1.00 1.00 C ATOM 0 HA PRO A 145 9.335 -6.503 7.067 1.00 1.00 H new ATOM 0 HB2 PRO A 145 9.953 -5.908 9.701 1.00 1.00 H new ATOM 0 HB3 PRO A 145 10.831 -7.087 8.748 1.00 1.00 H new ATOM 0 HG2 PRO A 145 11.686 -4.391 9.605 1.00 1.00 H new ATOM 0 HG3 PRO A 145 12.669 -5.725 9.035 1.00 1.00 H new ATOM 0 HD2 PRO A 145 11.919 -3.388 7.552 1.00 1.00 H new ATOM 0 HD3 PRO A 145 12.806 -4.774 6.948 1.00 1.00 H new ATOM 1039 N VAL A 146 7.529 -5.390 8.453 1.00 1.00 N ATOM 1040 CA VAL A 146 6.313 -4.683 8.819 1.00 1.00 C ATOM 1041 C VAL A 146 5.856 -5.149 10.204 1.00 1.00 C ATOM 1042 O VAL A 146 6.206 -6.243 10.642 1.00 1.00 O ATOM 1043 CB VAL A 146 5.247 -4.882 7.740 1.00 1.00 C ATOM 1044 CG1 VAL A 146 5.385 -3.832 6.635 1.00 1.00 C ATOM 1045 CG2 VAL A 146 5.308 -6.297 7.163 1.00 1.00 C ATOM 0 H VAL A 146 7.522 -6.388 8.663 1.00 1.00 H new ATOM 0 HA VAL A 146 6.498 -3.611 8.880 1.00 1.00 H new ATOM 0 HB VAL A 146 4.270 -4.753 8.205 1.00 1.00 H new ATOM 0 HG11 VAL A 146 4.616 -3.995 5.880 1.00 1.00 H new ATOM 0 HG12 VAL A 146 5.268 -2.836 7.063 1.00 1.00 H new ATOM 0 HG13 VAL A 146 6.369 -3.916 6.174 1.00 1.00 H new ATOM 0 HG21 VAL A 146 4.540 -6.412 6.398 1.00 1.00 H new ATOM 0 HG22 VAL A 146 6.289 -6.467 6.720 1.00 1.00 H new ATOM 0 HG23 VAL A 146 5.139 -7.022 7.959 1.00 1.00 H new ATOM 1055 N GLU A 147 5.081 -4.294 10.854 1.00 1.00 N ATOM 1056 CA GLU A 147 4.572 -4.602 12.179 1.00 1.00 C ATOM 1057 C GLU A 147 3.094 -4.221 12.283 1.00 1.00 C ATOM 1058 O GLU A 147 2.602 -3.412 11.497 1.00 1.00 O ATOM 1059 CB GLU A 147 5.396 -3.901 13.261 1.00 1.00 C ATOM 1060 CG GLU A 147 5.825 -4.887 14.350 1.00 1.00 C ATOM 1061 CD GLU A 147 6.406 -4.151 15.558 1.00 1.00 C ATOM 1062 OE1 GLU A 147 7.530 -3.632 15.487 1.00 1.00 O ATOM 1063 OE2 GLU A 147 5.645 -4.126 16.600 1.00 1.00 O ATOM 0 H GLU A 147 4.793 -3.387 10.487 1.00 1.00 H new ATOM 0 HA GLU A 147 4.662 -5.676 12.339 1.00 1.00 H new ATOM 0 HB2 GLU A 147 6.278 -3.443 12.812 1.00 1.00 H new ATOM 0 HB3 GLU A 147 4.810 -3.096 13.705 1.00 1.00 H new ATOM 0 HG2 GLU A 147 4.969 -5.485 14.662 1.00 1.00 H new ATOM 0 HG3 GLU A 147 6.567 -5.577 13.949 1.00 1.00 H new ATOM 1069 N PHE A 148 2.428 -4.821 13.258 1.00 1.00 N ATOM 1070 CA PHE A 148 1.016 -4.554 13.476 1.00 1.00 C ATOM 1071 C PHE A 148 0.794 -3.109 13.925 1.00 1.00 C ATOM 1072 O PHE A 148 1.413 -2.652 14.884 1.00 1.00 O ATOM 1073 CB PHE A 148 0.547 -5.499 14.583 1.00 1.00 C ATOM 1074 CG PHE A 148 -0.939 -5.369 14.924 1.00 1.00 C ATOM 1075 CD1 PHE A 148 -1.370 -4.349 15.713 1.00 1.00 C ATOM 1076 CD2 PHE A 148 -1.829 -6.276 14.438 1.00 1.00 C ATOM 1077 CE1 PHE A 148 -2.749 -4.230 16.029 1.00 1.00 C ATOM 1078 CE2 PHE A 148 -3.208 -6.156 14.754 1.00 1.00 C ATOM 1079 CZ PHE A 148 -3.639 -5.136 15.543 1.00 1.00 C ATOM 0 H PHE A 148 2.840 -5.492 13.907 1.00 1.00 H new ATOM 0 HA PHE A 148 0.461 -4.707 12.550 1.00 1.00 H new ATOM 0 HB2 PHE A 148 0.751 -6.526 14.281 1.00 1.00 H new ATOM 0 HB3 PHE A 148 1.134 -5.309 15.482 1.00 1.00 H new ATOM 0 HD1 PHE A 148 -0.663 -3.629 16.099 1.00 1.00 H new ATOM 0 HD2 PHE A 148 -1.487 -7.087 13.812 1.00 1.00 H new ATOM 0 HE1 PHE A 148 -3.091 -3.420 16.656 1.00 1.00 H new ATOM 0 HE2 PHE A 148 -3.915 -6.875 14.367 1.00 1.00 H new ATOM 0 HZ PHE A 148 -4.688 -5.045 15.784 1.00 1.00 H new ATOM 1088 N ASP A 149 -0.092 -2.430 13.211 1.00 1.00 N ATOM 1089 CA ASP A 149 -0.403 -1.046 13.525 1.00 1.00 C ATOM 1090 C ASP A 149 0.662 -0.136 12.910 1.00 1.00 C ATOM 1091 O ASP A 149 0.612 1.082 13.073 1.00 1.00 O ATOM 1092 CB ASP A 149 -0.410 -0.812 15.037 1.00 1.00 C ATOM 1093 CG ASP A 149 -1.252 0.377 15.504 1.00 1.00 C ATOM 1094 OD1 ASP A 149 -0.798 1.530 15.478 1.00 1.00 O ATOM 1095 OD2 ASP A 149 -2.438 0.077 15.914 1.00 1.00 O ATOM 0 H ASP A 149 -0.604 -2.813 12.416 1.00 1.00 H new ATOM 0 HA ASP A 149 -1.391 -0.823 13.121 1.00 1.00 H new ATOM 0 HB2 ASP A 149 -0.778 -1.713 15.527 1.00 1.00 H new ATOM 0 HB3 ASP A 149 0.617 -0.664 15.371 1.00 1.00 H new ATOM 1100 N GLU A 150 1.601 -0.763 12.216 1.00 1.00 N ATOM 1101 CA GLU A 150 2.676 -0.023 11.576 1.00 1.00 C ATOM 1102 C GLU A 150 2.218 0.511 10.218 1.00 1.00 C ATOM 1103 O GLU A 150 1.437 -0.136 9.523 1.00 1.00 O ATOM 1104 CB GLU A 150 3.927 -0.893 11.429 1.00 1.00 C ATOM 1105 CG GLU A 150 5.195 -0.082 11.705 1.00 1.00 C ATOM 1106 CD GLU A 150 6.226 -0.919 12.465 1.00 1.00 C ATOM 1107 OE1 GLU A 150 7.209 -1.382 11.868 1.00 1.00 O ATOM 1108 OE2 GLU A 150 5.979 -1.082 13.721 1.00 1.00 O ATOM 0 H GLU A 150 1.640 -1.774 12.083 1.00 1.00 H new ATOM 0 HA GLU A 150 2.934 0.826 12.209 1.00 1.00 H new ATOM 0 HB2 GLU A 150 3.872 -1.735 12.119 1.00 1.00 H new ATOM 0 HB3 GLU A 150 3.969 -1.309 10.422 1.00 1.00 H new ATOM 0 HG2 GLU A 150 5.623 0.262 10.764 1.00 1.00 H new ATOM 0 HG3 GLU A 150 4.944 0.806 12.284 1.00 1.00 H new ATOM 1114 N PRO A 151 2.737 1.720 9.873 1.00 1.00 N ATOM 1115 CA PRO A 151 2.389 2.350 8.609 1.00 1.00 C ATOM 1116 C PRO A 151 3.105 1.670 7.442 1.00 1.00 C ATOM 1117 O PRO A 151 4.155 1.056 7.626 1.00 1.00 O ATOM 1118 CB PRO A 151 2.780 3.810 8.777 1.00 1.00 C ATOM 1119 CG PRO A 151 3.753 3.849 9.945 1.00 1.00 C ATOM 1120 CD PRO A 151 3.664 2.516 10.670 1.00 1.00 C ATOM 0 HA PRO A 151 1.329 2.260 8.372 1.00 1.00 H new ATOM 0 HB2 PRO A 151 3.243 4.197 7.870 1.00 1.00 H new ATOM 0 HB3 PRO A 151 1.905 4.428 8.977 1.00 1.00 H new ATOM 0 HG2 PRO A 151 4.769 4.024 9.590 1.00 1.00 H new ATOM 0 HG3 PRO A 151 3.506 4.668 10.620 1.00 1.00 H new ATOM 0 HD2 PRO A 151 4.640 2.036 10.737 1.00 1.00 H new ATOM 0 HD3 PRO A 151 3.300 2.644 11.690 1.00 1.00 H new ATOM 1125 N LEU A 152 2.509 1.801 6.266 1.00 1.00 N ATOM 1126 CA LEU A 152 3.077 1.206 5.068 1.00 1.00 C ATOM 1127 C LEU A 152 3.209 2.279 3.985 1.00 1.00 C ATOM 1128 O LEU A 152 4.285 2.843 3.793 1.00 1.00 O ATOM 1129 CB LEU A 152 2.257 -0.010 4.632 1.00 1.00 C ATOM 1130 CG LEU A 152 2.155 -1.150 5.648 1.00 1.00 C ATOM 1131 CD1 LEU A 152 1.229 -2.256 5.141 1.00 1.00 C ATOM 1132 CD2 LEU A 152 3.543 -1.685 6.010 1.00 1.00 C ATOM 0 H LEU A 152 1.638 2.311 6.117 1.00 1.00 H new ATOM 0 HA LEU A 152 4.080 0.829 5.269 1.00 1.00 H new ATOM 0 HB2 LEU A 152 1.249 0.325 4.389 1.00 1.00 H new ATOM 0 HB3 LEU A 152 2.691 -0.406 3.714 1.00 1.00 H new ATOM 0 HG LEU A 152 1.712 -0.755 6.562 1.00 1.00 H new ATOM 0 HD11 LEU A 152 1.175 -3.053 5.882 1.00 1.00 H new ATOM 0 HD12 LEU A 152 0.232 -1.848 4.973 1.00 1.00 H new ATOM 0 HD13 LEU A 152 1.619 -2.657 4.205 1.00 1.00 H new ATOM 0 HD21 LEU A 152 3.444 -2.494 6.733 1.00 1.00 H new ATOM 0 HD22 LEU A 152 4.034 -2.059 5.112 1.00 1.00 H new ATOM 0 HD23 LEU A 152 4.141 -0.883 6.443 1.00 1.00 H new ATOM 1143 N VAL A 153 2.099 2.528 3.305 1.00 1.00 N ATOM 1144 CA VAL A 153 2.078 3.522 2.247 1.00 1.00 C ATOM 1145 C VAL A 153 0.902 4.476 2.472 1.00 1.00 C ATOM 1146 O VAL A 153 -0.187 4.045 2.848 1.00 1.00 O ATOM 1147 CB VAL A 153 2.036 2.833 0.881 1.00 1.00 C ATOM 1148 CG1 VAL A 153 2.371 3.818 -0.241 1.00 1.00 C ATOM 1149 CG2 VAL A 153 2.974 1.625 0.848 1.00 1.00 C ATOM 0 H VAL A 153 1.208 2.058 3.467 1.00 1.00 H new ATOM 0 HA VAL A 153 2.990 4.119 2.267 1.00 1.00 H new ATOM 0 HB VAL A 153 1.020 2.473 0.718 1.00 1.00 H new ATOM 0 HG11 VAL A 153 2.334 3.303 -1.201 1.00 1.00 H new ATOM 0 HG12 VAL A 153 1.647 4.633 -0.238 1.00 1.00 H new ATOM 0 HG13 VAL A 153 3.371 4.222 -0.084 1.00 1.00 H new ATOM 0 HG21 VAL A 153 2.925 1.153 -0.133 1.00 1.00 H new ATOM 0 HG22 VAL A 153 3.995 1.952 1.043 1.00 1.00 H new ATOM 0 HG23 VAL A 153 2.671 0.908 1.611 1.00 1.00 H new ATOM 1159 N VAL A 154 1.162 5.752 2.230 1.00 1.00 N ATOM 1160 CA VAL A 154 0.139 6.769 2.402 1.00 1.00 C ATOM 1161 C VAL A 154 -0.523 7.054 1.053 1.00 1.00 C ATOM 1162 O VAL A 154 0.161 7.325 0.066 1.00 1.00 O ATOM 1163 CB VAL A 154 0.745 8.018 3.046 1.00 1.00 C ATOM 1164 CG1 VAL A 154 -0.311 9.112 3.222 1.00 1.00 C ATOM 1165 CG2 VAL A 154 1.411 7.679 4.381 1.00 1.00 C ATOM 0 H VAL A 154 2.066 6.105 1.916 1.00 1.00 H new ATOM 0 HA VAL A 154 -0.640 6.416 3.078 1.00 1.00 H new ATOM 0 HB VAL A 154 1.515 8.400 2.375 1.00 1.00 H new ATOM 0 HG11 VAL A 154 0.146 9.988 3.682 1.00 1.00 H new ATOM 0 HG12 VAL A 154 -0.719 9.384 2.248 1.00 1.00 H new ATOM 0 HG13 VAL A 154 -1.113 8.744 3.861 1.00 1.00 H new ATOM 0 HG21 VAL A 154 1.833 8.584 4.817 1.00 1.00 H new ATOM 0 HG22 VAL A 154 0.670 7.260 5.061 1.00 1.00 H new ATOM 0 HG23 VAL A 154 2.205 6.951 4.217 1.00 1.00 H new ATOM 1175 N ILE A 155 -1.846 6.982 1.051 1.00 1.00 N ATOM 1176 CA ILE A 155 -2.608 7.228 -0.161 1.00 1.00 C ATOM 1177 C ILE A 155 -3.426 8.510 0.007 1.00 1.00 C ATOM 1178 O ILE A 155 -3.610 8.991 1.124 1.00 1.00 O ATOM 1179 CB ILE A 155 -3.451 6.003 -0.522 1.00 1.00 C ATOM 1180 CG1 ILE A 155 -2.584 4.900 -1.131 1.00 1.00 C ATOM 1181 CG2 ILE A 155 -4.615 6.389 -1.439 1.00 1.00 C ATOM 1182 CD1 ILE A 155 -2.337 3.776 -0.122 1.00 1.00 C ATOM 0 H ILE A 155 -2.410 6.757 1.870 1.00 1.00 H new ATOM 0 HA ILE A 155 -1.938 7.386 -1.006 1.00 1.00 H new ATOM 0 HB ILE A 155 -3.882 5.603 0.396 1.00 1.00 H new ATOM 0 HG12 ILE A 155 -3.073 4.496 -2.018 1.00 1.00 H new ATOM 0 HG13 ILE A 155 -1.631 5.319 -1.455 1.00 1.00 H new ATOM 0 HG21 ILE A 155 -5.198 5.500 -1.680 1.00 1.00 H new ATOM 0 HG22 ILE A 155 -5.252 7.114 -0.933 1.00 1.00 H new ATOM 0 HG23 ILE A 155 -4.225 6.827 -2.357 1.00 1.00 H new ATOM 0 HD11 ILE A 155 -1.718 3.005 -0.581 1.00 1.00 H new ATOM 0 HD12 ILE A 155 -1.826 4.178 0.753 1.00 1.00 H new ATOM 0 HD13 ILE A 155 -3.290 3.343 0.181 1.00 1.00 H new ATOM 1193 N GLU A 156 -3.895 9.026 -1.120 1.00 1.00 N ATOM 1194 CA GLU A 156 -4.689 10.244 -1.111 1.00 1.00 C ATOM 1195 C GLU A 156 -5.706 10.221 -2.253 1.00 1.00 C ATOM 1196 O GLU A 156 -6.732 10.897 -2.189 1.00 1.00 O ATOM 1197 CB GLU A 156 -3.795 11.482 -1.196 1.00 1.00 C ATOM 1198 CG GLU A 156 -4.602 12.713 -1.613 1.00 1.00 C ATOM 1199 CD GLU A 156 -4.026 13.984 -0.986 1.00 1.00 C ATOM 1200 OE1 GLU A 156 -4.415 14.355 0.131 1.00 1.00 O ATOM 1201 OE2 GLU A 156 -3.142 14.594 -1.702 1.00 1.00 O ATOM 0 H GLU A 156 -3.741 8.624 -2.045 1.00 1.00 H new ATOM 0 HA GLU A 156 -5.232 10.295 -0.167 1.00 1.00 H new ATOM 0 HB2 GLU A 156 -3.324 11.662 -0.230 1.00 1.00 H new ATOM 0 HB3 GLU A 156 -2.994 11.308 -1.914 1.00 1.00 H new ATOM 0 HG2 GLU A 156 -4.597 12.805 -2.699 1.00 1.00 H new ATOM 0 HG3 GLU A 156 -5.641 12.591 -1.308 1.00 1.00 H new