USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 750 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 215 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 217 ASN : amide:sc= 0.748 K(o=0.87,f=-3.3!) USER MOD Set 1.3: A 218 THR OG1 : rot -35:sc= 0.124 USER MOD Set 2.1: A 191 HIS :FLIP no HE2:sc= -8.84! C(o=-20!,f=-16!) USER MOD Set 2.2: A 201 HIS :FLIP no HD1:sc= -7.62! C(o=-17!,f=-16!) USER MOD Set 3.1: A 157 MET CE :methyl -158:sc= -0.0539 (180deg=0) USER MOD Set 3.2: A 182 MET CE :methyl -144:sc= -0.106 (180deg=-1.99!) USER MOD Set 3.3: A 183 THR OG1 : rot 180:sc= 0.0524 USER MOD Set 3.4: A 186 HIS : no HD1:sc= -0.316 X(o=-0.42,f=-0.56) USER MOD Set 4.1: A 141 HIS : no HE2:sc= -2.79 K(o=-5.2,f=-9.1!) USER MOD Set 4.2: A 196 TYR OH : rot 180:sc= 0 USER MOD Set 4.3: A 223 GLN : amide:sc= -2.39 K(o=-5.2,f=-6.3) USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 147 THR OG1 : rot 92:sc= 0.34 USER MOD Single : A 149 LYS NZ :NH3+ -148:sc= -0.105 (180deg=-0.905) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 ASN : amide:sc= -0.0415 K(o=-0.042,f=-1.2!) USER MOD Single : A 156 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 163 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.8!) USER MOD Single : A 170 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 172 ASN : amide:sc= -1.11 K(o=-1.1,f=-3.6!) USER MOD Single : A 173 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 174 ASN : amide:sc= -0.0839 K(o=-0.084,f=-2.1!) USER MOD Single : A 175 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 SER OG : rot 180:sc= 0 USER MOD Single : A 185 TYR OH : rot 180:sc= 0 USER MOD Single : A 188 MET CE :methyl -166:sc= -1.18 (180deg=-2!) USER MOD Single : A 199 MET CE :methyl -176:sc= -0.962 (180deg=-1.04) USER MOD Single : A 202 ASN : amide:sc= -0.0574 X(o=-0.057,f=-0.51) USER MOD Single : A 205 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 206 THR OG1 : rot -21:sc= 0.676 USER MOD Single : A 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 213 ASN : amide:sc= -2.05! C(o=-2!,f=-5.3!) USER MOD Single : A 214 LYS NZ :NH3+ -169:sc= -0.0191 (180deg=-0.131) USER MOD Single : A 216 SER OG : rot 180:sc= 0 USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 143 N ASP A 139 10.684 -4.051 10.589 1.00 0.00 N ATOM 144 CA ASP A 139 11.334 -4.717 9.467 1.00 0.00 C ATOM 145 C ASP A 139 10.360 -4.905 8.308 1.00 0.00 C ATOM 146 O ASP A 139 9.747 -5.964 8.164 1.00 0.00 O ATOM 147 CB ASP A 139 11.893 -6.072 9.905 1.00 0.00 C ATOM 148 CG ASP A 139 13.000 -5.937 10.932 1.00 0.00 C ATOM 149 OD1 ASP A 139 14.000 -5.249 10.638 1.00 0.00 O ATOM 150 OD2 ASP A 139 12.867 -6.520 12.028 1.00 0.00 O ATOM 0 HA ASP A 139 12.156 -4.086 9.128 1.00 0.00 H new ATOM 0 HB2 ASP A 139 11.087 -6.677 10.321 1.00 0.00 H new ATOM 0 HB3 ASP A 139 12.273 -6.604 9.033 1.00 0.00 H new ATOM 155 N LEU A 140 10.222 -3.872 7.485 1.00 0.00 N ATOM 156 CA LEU A 140 9.321 -3.922 6.338 1.00 0.00 C ATOM 157 C LEU A 140 9.975 -4.643 5.164 1.00 0.00 C ATOM 158 O LEU A 140 9.459 -5.648 4.673 1.00 0.00 O ATOM 159 CB LEU A 140 8.915 -2.508 5.921 1.00 0.00 C ATOM 160 CG LEU A 140 8.132 -1.701 6.957 1.00 0.00 C ATOM 161 CD1 LEU A 140 8.025 -0.246 6.531 1.00 0.00 C ATOM 162 CD2 LEU A 140 6.749 -2.301 7.166 1.00 0.00 C ATOM 0 H LEU A 140 10.722 -2.989 7.590 1.00 0.00 H new ATOM 0 HA LEU A 140 8.430 -4.477 6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 140 9.818 -1.953 5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 140 8.314 -2.577 5.014 1.00 0.00 H new ATOM 0 HG LEU A 140 8.671 -1.742 7.904 1.00 0.00 H new ATOM 0 HD11 LEU A 140 7.464 0.312 7.281 1.00 0.00 H new ATOM 0 HD12 LEU A 140 9.024 0.179 6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 140 7.510 -0.184 5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 140 6.206 -1.714 7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 140 6.202 -2.292 6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 140 6.847 -3.328 7.518 1.00 0.00 H new ATOM 174 N HIS A 141 11.115 -4.125 4.718 1.00 0.00 N ATOM 175 CA HIS A 141 11.842 -4.721 3.602 1.00 0.00 C ATOM 176 C HIS A 141 11.786 -6.244 3.670 1.00 0.00 C ATOM 177 O HIS A 141 11.597 -6.912 2.654 1.00 0.00 O ATOM 178 CB HIS A 141 13.297 -4.252 3.605 1.00 0.00 C ATOM 179 CG HIS A 141 13.957 -4.339 2.263 1.00 0.00 C ATOM 180 ND1 HIS A 141 15.188 -4.929 2.067 1.00 0.00 N ATOM 181 CD2 HIS A 141 13.549 -3.909 1.047 1.00 0.00 C ATOM 182 CE1 HIS A 141 15.509 -4.855 0.788 1.00 0.00 C ATOM 183 NE2 HIS A 141 14.531 -4.241 0.147 1.00 0.00 N ATOM 0 H HIS A 141 11.556 -3.294 5.112 1.00 0.00 H new ATOM 0 HA HIS A 141 11.366 -4.398 2.676 1.00 0.00 H new ATOM 0 HB2 HIS A 141 13.337 -3.220 3.954 1.00 0.00 H new ATOM 0 HB3 HIS A 141 13.862 -4.852 4.318 1.00 0.00 H new ATOM 0 HD1 HIS A 141 15.761 -5.356 2.795 1.00 0.00 H new ATOM 0 HD2 HIS A 141 12.623 -3.399 0.825 1.00 0.00 H new ATOM 0 HE1 HIS A 141 16.417 -5.233 0.342 1.00 0.00 H new ATOM 192 N GLU A 142 11.951 -6.785 4.873 1.00 0.00 N ATOM 193 CA GLU A 142 11.921 -8.230 5.070 1.00 0.00 C ATOM 194 C GLU A 142 10.556 -8.802 4.697 1.00 0.00 C ATOM 195 O GLU A 142 10.422 -9.520 3.706 1.00 0.00 O ATOM 196 CB GLU A 142 12.250 -8.575 6.524 1.00 0.00 C ATOM 197 CG GLU A 142 13.697 -8.306 6.901 1.00 0.00 C ATOM 198 CD GLU A 142 14.023 -8.746 8.315 1.00 0.00 C ATOM 199 OE1 GLU A 142 13.092 -8.822 9.143 1.00 0.00 O ATOM 200 OE2 GLU A 142 15.211 -9.014 8.593 1.00 0.00 O ATOM 0 H GLU A 142 12.107 -6.246 5.725 1.00 0.00 H new ATOM 0 HA GLU A 142 12.673 -8.676 4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 142 11.599 -7.999 7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 142 12.028 -9.628 6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 142 14.353 -8.825 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 142 13.903 -7.240 6.799 1.00 0.00 H new ATOM 207 N PHE A 143 9.546 -8.478 5.497 1.00 0.00 N ATOM 208 CA PHE A 143 8.192 -8.960 5.253 1.00 0.00 C ATOM 209 C PHE A 143 7.877 -8.963 3.760 1.00 0.00 C ATOM 210 O PHE A 143 7.274 -9.904 3.243 1.00 0.00 O ATOM 211 CB PHE A 143 7.176 -8.091 5.998 1.00 0.00 C ATOM 212 CG PHE A 143 5.749 -8.468 5.723 1.00 0.00 C ATOM 213 CD1 PHE A 143 5.190 -9.591 6.311 1.00 0.00 C ATOM 214 CD2 PHE A 143 4.966 -7.700 4.877 1.00 0.00 C ATOM 215 CE1 PHE A 143 3.877 -9.941 6.059 1.00 0.00 C ATOM 216 CE2 PHE A 143 3.652 -8.045 4.621 1.00 0.00 C ATOM 217 CZ PHE A 143 3.106 -9.166 5.214 1.00 0.00 C ATOM 0 H PHE A 143 9.640 -7.883 6.320 1.00 0.00 H new ATOM 0 HA PHE A 143 8.125 -9.983 5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 143 7.363 -8.165 7.069 1.00 0.00 H new ATOM 0 HB3 PHE A 143 7.328 -7.048 5.719 1.00 0.00 H new ATOM 0 HD1 PHE A 143 5.787 -10.200 6.974 1.00 0.00 H new ATOM 0 HD2 PHE A 143 5.387 -6.821 4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 143 3.454 -10.820 6.522 1.00 0.00 H new ATOM 0 HE2 PHE A 143 3.053 -7.438 3.958 1.00 0.00 H new ATOM 0 HZ PHE A 143 2.079 -9.436 5.018 1.00 0.00 H new ATOM 227 N LEU A 144 8.290 -7.904 3.072 1.00 0.00 N ATOM 228 CA LEU A 144 8.052 -7.783 1.638 1.00 0.00 C ATOM 229 C LEU A 144 8.855 -8.823 0.863 1.00 0.00 C ATOM 230 O LEU A 144 8.328 -9.497 -0.022 1.00 0.00 O ATOM 231 CB LEU A 144 8.418 -6.378 1.157 1.00 0.00 C ATOM 232 CG LEU A 144 7.393 -5.281 1.450 1.00 0.00 C ATOM 233 CD1 LEU A 144 7.999 -3.907 1.207 1.00 0.00 C ATOM 234 CD2 LEU A 144 6.147 -5.474 0.599 1.00 0.00 C ATOM 0 H LEU A 144 8.791 -7.117 3.484 1.00 0.00 H new ATOM 0 HA LEU A 144 6.992 -7.959 1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 144 9.366 -6.094 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 144 8.583 -6.416 0.080 1.00 0.00 H new ATOM 0 HG LEU A 144 7.106 -5.349 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 144 7.256 -3.139 1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 144 8.861 -3.769 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 144 8.315 -3.827 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 144 5.429 -4.685 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 144 6.417 -5.433 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 144 5.701 -6.443 0.822 1.00 0.00 H new ATOM 246 N VAL A 145 10.134 -8.949 1.204 1.00 0.00 N ATOM 247 CA VAL A 145 11.010 -9.910 0.543 1.00 0.00 C ATOM 248 C VAL A 145 10.459 -11.326 0.659 1.00 0.00 C ATOM 249 O VAL A 145 10.203 -11.988 -0.346 1.00 0.00 O ATOM 250 CB VAL A 145 12.431 -9.873 1.134 1.00 0.00 C ATOM 251 CG1 VAL A 145 13.278 -10.998 0.560 1.00 0.00 C ATOM 252 CG2 VAL A 145 13.080 -8.521 0.877 1.00 0.00 C ATOM 0 H VAL A 145 10.586 -8.398 1.934 1.00 0.00 H new ATOM 0 HA VAL A 145 11.055 -9.626 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 145 12.361 -10.018 2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 145 14.279 -10.955 0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 145 12.820 -11.957 0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 145 13.343 -10.889 -0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 145 14.084 -8.513 1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 145 13.139 -8.344 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 145 12.483 -7.737 1.342 1.00 0.00 H new ATOM 262 N ASN A 146 10.278 -11.786 1.893 1.00 0.00 N ATOM 263 CA ASN A 146 9.757 -13.125 2.141 1.00 0.00 C ATOM 264 C ASN A 146 8.436 -13.339 1.410 1.00 0.00 C ATOM 265 O ASN A 146 8.330 -14.195 0.531 1.00 0.00 O ATOM 266 CB ASN A 146 9.565 -13.350 3.643 1.00 0.00 C ATOM 267 CG ASN A 146 9.248 -14.795 3.975 1.00 0.00 C ATOM 268 OD1 ASN A 146 10.057 -15.691 3.735 1.00 0.00 O ATOM 269 ND2 ASN A 146 8.065 -15.028 4.531 1.00 0.00 N ATOM 0 H ASN A 146 10.485 -11.251 2.737 1.00 0.00 H new ATOM 0 HA ASN A 146 10.482 -13.846 1.762 1.00 0.00 H new ATOM 0 HB2 ASN A 146 10.470 -13.049 4.171 1.00 0.00 H new ATOM 0 HB3 ASN A 146 8.758 -12.712 4.003 1.00 0.00 H new ATOM 0 HD21 ASN A 146 7.796 -15.981 4.777 1.00 0.00 H new ATOM 0 HD22 ASN A 146 7.425 -14.254 4.712 1.00 0.00 H new ATOM 276 N THR A 147 7.427 -12.555 1.780 1.00 0.00 N ATOM 277 CA THR A 147 6.112 -12.658 1.160 1.00 0.00 C ATOM 278 C THR A 147 6.217 -12.636 -0.360 1.00 0.00 C ATOM 279 O THR A 147 5.497 -13.356 -1.053 1.00 0.00 O ATOM 280 CB THR A 147 5.186 -11.515 1.616 1.00 0.00 C ATOM 281 OG1 THR A 147 4.929 -11.623 3.021 1.00 0.00 O ATOM 282 CG2 THR A 147 3.871 -11.547 0.851 1.00 0.00 C ATOM 0 H THR A 147 7.496 -11.842 2.506 1.00 0.00 H new ATOM 0 HA THR A 147 5.686 -13.610 1.478 1.00 0.00 H new ATOM 0 HB THR A 147 5.685 -10.568 1.410 1.00 0.00 H new ATOM 0 HG1 THR A 147 5.590 -11.096 3.516 1.00 0.00 H new ATOM 0 HG21 THR A 147 3.233 -10.731 1.190 1.00 0.00 H new ATOM 0 HG22 THR A 147 4.068 -11.435 -0.215 1.00 0.00 H new ATOM 0 HG23 THR A 147 3.369 -12.498 1.030 1.00 0.00 H new ATOM 290 N LEU A 148 7.119 -11.807 -0.874 1.00 0.00 N ATOM 291 CA LEU A 148 7.319 -11.692 -2.315 1.00 0.00 C ATOM 292 C LEU A 148 7.881 -12.987 -2.892 1.00 0.00 C ATOM 293 O LEU A 148 7.605 -13.340 -4.039 1.00 0.00 O ATOM 294 CB LEU A 148 8.264 -10.530 -2.627 1.00 0.00 C ATOM 295 CG LEU A 148 7.645 -9.132 -2.585 1.00 0.00 C ATOM 296 CD1 LEU A 148 8.727 -8.073 -2.448 1.00 0.00 C ATOM 297 CD2 LEU A 148 6.807 -8.882 -3.831 1.00 0.00 C ATOM 0 H LEU A 148 7.723 -11.205 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 148 6.351 -11.500 -2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 148 9.092 -10.561 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 148 8.688 -10.688 -3.619 1.00 0.00 H new ATOM 0 HG LEU A 148 6.993 -9.071 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 148 8.268 -7.085 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 148 9.285 -8.240 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 148 9.405 -8.134 -3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 148 6.374 -7.883 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 148 7.438 -8.963 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 148 6.008 -9.621 -3.886 1.00 0.00 H new ATOM 309 N LYS A 149 8.668 -13.695 -2.088 1.00 0.00 N ATOM 310 CA LYS A 149 9.266 -14.954 -2.516 1.00 0.00 C ATOM 311 C LYS A 149 8.368 -16.133 -2.155 1.00 0.00 C ATOM 312 O LYS A 149 7.824 -16.804 -3.032 1.00 0.00 O ATOM 313 CB LYS A 149 10.643 -15.132 -1.873 1.00 0.00 C ATOM 314 CG LYS A 149 11.585 -13.966 -2.119 1.00 0.00 C ATOM 315 CD LYS A 149 12.602 -13.825 -1.000 1.00 0.00 C ATOM 316 CE LYS A 149 13.643 -14.933 -1.050 1.00 0.00 C ATOM 317 NZ LYS A 149 13.181 -16.161 -0.345 1.00 0.00 N ATOM 0 H LYS A 149 8.906 -13.418 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 149 9.379 -14.925 -3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 149 10.518 -15.267 -0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 149 11.099 -16.044 -2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 149 12.103 -14.110 -3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 149 11.009 -13.045 -2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 149 13.096 -12.856 -1.076 1.00 0.00 H new ATOM 0 HD3 LYS A 149 12.091 -13.848 -0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 149 13.867 -15.174 -2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 149 14.570 -14.581 -0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 13.998 -16.649 0.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 12.511 -15.899 0.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 12.710 -16.794 -1.023 1.00 0.00 H new ATOM 331 N LYS A 150 8.215 -16.379 -0.858 1.00 0.00 N ATOM 332 CA LYS A 150 7.381 -17.475 -0.380 1.00 0.00 C ATOM 333 C LYS A 150 5.968 -17.371 -0.946 1.00 0.00 C ATOM 334 O LYS A 150 5.256 -18.368 -1.050 1.00 0.00 O ATOM 335 CB LYS A 150 7.331 -17.476 1.149 1.00 0.00 C ATOM 336 CG LYS A 150 8.499 -18.199 1.796 1.00 0.00 C ATOM 337 CD LYS A 150 8.325 -19.707 1.733 1.00 0.00 C ATOM 338 CE LYS A 150 9.570 -20.433 2.219 1.00 0.00 C ATOM 339 NZ LYS A 150 9.621 -21.838 1.728 1.00 0.00 N ATOM 0 H LYS A 150 8.658 -15.833 -0.119 1.00 0.00 H new ATOM 0 HA LYS A 150 7.823 -18.411 -0.723 1.00 0.00 H new ATOM 0 HB2 LYS A 150 7.311 -16.446 1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 150 6.401 -17.943 1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 150 9.425 -17.917 1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 150 8.591 -17.886 2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 150 7.470 -20.001 2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 150 8.105 -20.006 0.708 1.00 0.00 H new ATOM 0 HE2 LYS A 150 10.457 -19.898 1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 150 9.591 -20.428 3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 10.484 -22.298 2.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 8.787 -22.356 2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 9.627 -21.842 0.688 1.00 0.00 H new ATOM 353 N ASN A 151 5.570 -16.156 -1.311 1.00 0.00 N ATOM 354 CA ASN A 151 4.243 -15.922 -1.867 1.00 0.00 C ATOM 355 C ASN A 151 4.321 -15.037 -3.107 1.00 0.00 C ATOM 356 O ASN A 151 4.091 -13.828 -3.053 1.00 0.00 O ATOM 357 CB ASN A 151 3.335 -15.273 -0.820 1.00 0.00 C ATOM 358 CG ASN A 151 2.586 -16.298 0.010 1.00 0.00 C ATOM 359 OD1 ASN A 151 3.115 -17.364 0.325 1.00 0.00 O ATOM 360 ND2 ASN A 151 1.349 -15.977 0.369 1.00 0.00 N ATOM 0 H ASN A 151 6.148 -15.319 -1.232 1.00 0.00 H new ATOM 0 HA ASN A 151 3.823 -16.885 -2.156 1.00 0.00 H new ATOM 0 HB2 ASN A 151 3.935 -14.645 -0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 151 2.619 -14.620 -1.319 1.00 0.00 H new ATOM 0 HD21 ASN A 151 0.796 -16.626 0.929 1.00 0.00 H new ATOM 0 HD22 ASN A 151 0.952 -15.082 0.085 1.00 0.00 H new ATOM 367 N PRO A 152 4.652 -15.651 -4.253 1.00 0.00 N ATOM 368 CA PRO A 152 4.767 -14.938 -5.529 1.00 0.00 C ATOM 369 C PRO A 152 3.415 -14.471 -6.056 1.00 0.00 C ATOM 370 O PRO A 152 3.328 -13.877 -7.131 1.00 0.00 O ATOM 371 CB PRO A 152 5.375 -15.984 -6.466 1.00 0.00 C ATOM 372 CG PRO A 152 4.976 -17.295 -5.880 1.00 0.00 C ATOM 373 CD PRO A 152 4.940 -17.088 -4.391 1.00 0.00 C ATOM 0 HA PRO A 152 5.364 -14.031 -5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 152 4.997 -15.873 -7.482 1.00 0.00 H new ATOM 0 HB3 PRO A 152 6.459 -15.887 -6.517 1.00 0.00 H new ATOM 0 HG2 PRO A 152 4.002 -17.610 -6.254 1.00 0.00 H new ATOM 0 HG3 PRO A 152 5.688 -18.076 -6.149 1.00 0.00 H new ATOM 0 HD2 PRO A 152 4.171 -17.699 -3.919 1.00 0.00 H new ATOM 0 HD3 PRO A 152 5.889 -17.354 -3.925 1.00 0.00 H new ATOM 381 N ARG A 153 2.361 -14.743 -5.293 1.00 0.00 N ATOM 382 CA ARG A 153 1.013 -14.352 -5.684 1.00 0.00 C ATOM 383 C ARG A 153 0.672 -12.965 -5.146 1.00 0.00 C ATOM 384 O ARG A 153 -0.220 -12.291 -5.661 1.00 0.00 O ATOM 385 CB ARG A 153 -0.006 -15.373 -5.174 1.00 0.00 C ATOM 386 CG ARG A 153 -1.298 -15.396 -5.974 1.00 0.00 C ATOM 387 CD ARG A 153 -2.067 -16.689 -5.754 1.00 0.00 C ATOM 388 NE ARG A 153 -2.992 -16.591 -4.628 1.00 0.00 N ATOM 389 CZ ARG A 153 -4.011 -17.421 -4.440 1.00 0.00 C ATOM 390 NH1 ARG A 153 -4.235 -18.406 -5.298 1.00 0.00 N ATOM 391 NH2 ARG A 153 -4.809 -17.268 -3.391 1.00 0.00 N ATOM 0 H ARG A 153 2.415 -15.233 -4.400 1.00 0.00 H new ATOM 0 HA ARG A 153 0.972 -14.321 -6.773 1.00 0.00 H new ATOM 0 HB2 ARG A 153 0.444 -16.366 -5.198 1.00 0.00 H new ATOM 0 HB3 ARG A 153 -0.238 -15.153 -4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 153 -1.920 -14.548 -5.687 1.00 0.00 H new ATOM 0 HG3 ARG A 153 -1.073 -15.281 -7.034 1.00 0.00 H new ATOM 0 HD2 ARG A 153 -2.622 -16.939 -6.658 1.00 0.00 H new ATOM 0 HD3 ARG A 153 -1.364 -17.503 -5.576 1.00 0.00 H new ATOM 0 HE ARG A 153 -2.847 -15.844 -3.949 1.00 0.00 H new ATOM 0 HH11 ARG A 153 -3.624 -18.528 -6.105 1.00 0.00 H new ATOM 0 HH12 ARG A 153 -5.019 -19.042 -5.151 1.00 0.00 H new ATOM 0 HH21 ARG A 153 -4.640 -16.512 -2.728 1.00 0.00 H new ATOM 0 HH22 ARG A 153 -5.591 -17.907 -3.248 1.00 0.00 H new ATOM 405 N ASP A 154 1.387 -12.546 -4.108 1.00 0.00 N ATOM 406 CA ASP A 154 1.161 -11.240 -3.501 1.00 0.00 C ATOM 407 C ASP A 154 1.793 -10.134 -4.340 1.00 0.00 C ATOM 408 O ASP A 154 1.195 -9.077 -4.544 1.00 0.00 O ATOM 409 CB ASP A 154 1.729 -11.208 -2.082 1.00 0.00 C ATOM 410 CG ASP A 154 1.051 -10.170 -1.209 1.00 0.00 C ATOM 411 OD1 ASP A 154 1.309 -8.966 -1.412 1.00 0.00 O ATOM 412 OD2 ASP A 154 0.263 -10.563 -0.323 1.00 0.00 O ATOM 0 H ASP A 154 2.128 -13.092 -3.669 1.00 0.00 H new ATOM 0 HA ASP A 154 0.085 -11.069 -3.457 1.00 0.00 H new ATOM 0 HB2 ASP A 154 1.615 -12.192 -1.626 1.00 0.00 H new ATOM 0 HB3 ASP A 154 2.798 -10.999 -2.126 1.00 0.00 H new ATOM 417 N ARG A 155 3.006 -10.384 -4.823 1.00 0.00 N ATOM 418 CA ARG A 155 3.720 -9.408 -5.637 1.00 0.00 C ATOM 419 C ARG A 155 2.765 -8.684 -6.581 1.00 0.00 C ATOM 420 O ARG A 155 3.003 -7.539 -6.964 1.00 0.00 O ATOM 421 CB ARG A 155 4.825 -10.095 -6.442 1.00 0.00 C ATOM 422 CG ARG A 155 4.416 -11.443 -7.012 1.00 0.00 C ATOM 423 CD ARG A 155 5.336 -11.873 -8.144 1.00 0.00 C ATOM 424 NE ARG A 155 4.656 -12.738 -9.103 1.00 0.00 N ATOM 425 CZ ARG A 155 5.169 -13.074 -10.282 1.00 0.00 C ATOM 426 NH1 ARG A 155 6.360 -12.619 -10.644 1.00 0.00 N ATOM 427 NH2 ARG A 155 4.489 -13.866 -11.101 1.00 0.00 N ATOM 0 H ARG A 155 3.514 -11.254 -4.665 1.00 0.00 H new ATOM 0 HA ARG A 155 4.169 -8.674 -4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 155 5.127 -9.441 -7.260 1.00 0.00 H new ATOM 0 HB3 ARG A 155 5.698 -10.230 -5.803 1.00 0.00 H new ATOM 0 HG2 ARG A 155 4.434 -12.194 -6.222 1.00 0.00 H new ATOM 0 HG3 ARG A 155 3.390 -11.389 -7.376 1.00 0.00 H new ATOM 0 HD2 ARG A 155 5.715 -10.990 -8.658 1.00 0.00 H new ATOM 0 HD3 ARG A 155 6.198 -12.397 -7.731 1.00 0.00 H new ATOM 0 HE ARG A 155 3.737 -13.105 -8.855 1.00 0.00 H new ATOM 0 HH11 ARG A 155 6.885 -12.009 -10.017 1.00 0.00 H new ATOM 0 HH12 ARG A 155 6.751 -12.878 -11.549 1.00 0.00 H new ATOM 0 HH21 ARG A 155 3.572 -14.217 -10.826 1.00 0.00 H new ATOM 0 HH22 ARG A 155 4.883 -14.123 -12.006 1.00 0.00 H new ATOM 441 N MET A 156 1.682 -9.361 -6.952 1.00 0.00 N ATOM 442 CA MET A 156 0.691 -8.781 -7.851 1.00 0.00 C ATOM 443 C MET A 156 0.331 -7.362 -7.422 1.00 0.00 C ATOM 444 O MET A 156 0.561 -6.404 -8.159 1.00 0.00 O ATOM 445 CB MET A 156 -0.568 -9.651 -7.885 1.00 0.00 C ATOM 446 CG MET A 156 -0.494 -10.788 -8.891 1.00 0.00 C ATOM 447 SD MET A 156 -2.013 -11.756 -8.957 1.00 0.00 S ATOM 448 CE MET A 156 -2.876 -10.943 -10.300 1.00 0.00 C ATOM 0 H MET A 156 1.469 -10.310 -6.644 1.00 0.00 H new ATOM 0 HA MET A 156 1.124 -8.740 -8.851 1.00 0.00 H new ATOM 0 HB2 MET A 156 -0.740 -10.066 -6.892 1.00 0.00 H new ATOM 0 HB3 MET A 156 -1.427 -9.023 -8.121 1.00 0.00 H new ATOM 0 HG2 MET A 156 -0.284 -10.380 -9.880 1.00 0.00 H new ATOM 0 HG3 MET A 156 0.339 -11.443 -8.633 1.00 0.00 H new ATOM 0 HE1 MET A 156 -3.838 -11.430 -10.462 1.00 0.00 H new ATOM 0 HE2 MET A 156 -3.038 -9.895 -10.047 1.00 0.00 H new ATOM 0 HE3 MET A 156 -2.278 -11.008 -11.209 1.00 0.00 H new ATOM 458 N MET A 157 -0.234 -7.236 -6.225 1.00 0.00 N ATOM 459 CA MET A 157 -0.624 -5.933 -5.698 1.00 0.00 C ATOM 460 C MET A 157 0.603 -5.076 -5.406 1.00 0.00 C ATOM 461 O MET A 157 0.772 -3.999 -5.981 1.00 0.00 O ATOM 462 CB MET A 157 -1.457 -6.103 -4.426 1.00 0.00 C ATOM 463 CG MET A 157 -2.945 -6.264 -4.692 1.00 0.00 C ATOM 464 SD MET A 157 -3.767 -4.693 -5.015 1.00 0.00 S ATOM 465 CE MET A 157 -4.881 -4.599 -3.615 1.00 0.00 C ATOM 0 H MET A 157 -0.432 -8.019 -5.603 1.00 0.00 H new ATOM 0 HA MET A 157 -1.226 -5.428 -6.453 1.00 0.00 H new ATOM 0 HB2 MET A 157 -1.097 -6.975 -3.880 1.00 0.00 H new ATOM 0 HB3 MET A 157 -1.303 -5.237 -3.782 1.00 0.00 H new ATOM 0 HG2 MET A 157 -3.088 -6.927 -5.546 1.00 0.00 H new ATOM 0 HG3 MET A 157 -3.414 -6.745 -3.833 1.00 0.00 H new ATOM 0 HE1 MET A 157 -5.706 -3.927 -3.851 1.00 0.00 H new ATOM 0 HE2 MET A 157 -5.273 -5.592 -3.395 1.00 0.00 H new ATOM 0 HE3 MET A 157 -4.342 -4.220 -2.746 1.00 0.00 H new ATOM 475 N LEU A 158 1.457 -5.558 -4.511 1.00 0.00 N ATOM 476 CA LEU A 158 2.669 -4.835 -4.142 1.00 0.00 C ATOM 477 C LEU A 158 3.281 -4.142 -5.356 1.00 0.00 C ATOM 478 O LEU A 158 3.600 -2.953 -5.311 1.00 0.00 O ATOM 479 CB LEU A 158 3.688 -5.791 -3.520 1.00 0.00 C ATOM 480 CG LEU A 158 3.178 -6.659 -2.369 1.00 0.00 C ATOM 481 CD1 LEU A 158 4.267 -7.607 -1.891 1.00 0.00 C ATOM 482 CD2 LEU A 158 2.686 -5.789 -1.222 1.00 0.00 C ATOM 0 H LEU A 158 1.333 -6.447 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 158 2.399 -4.074 -3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 158 4.066 -6.447 -4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 158 4.533 -5.205 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 158 2.341 -7.254 -2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 158 3.885 -8.216 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 158 4.572 -8.254 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 158 5.125 -7.031 -1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 158 2.327 -6.424 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 158 3.505 -5.167 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 158 1.873 -5.152 -1.571 1.00 0.00 H new ATOM 494 N LEU A 159 3.439 -4.892 -6.441 1.00 0.00 N ATOM 495 CA LEU A 159 4.010 -4.350 -7.669 1.00 0.00 C ATOM 496 C LEU A 159 3.114 -3.262 -8.252 1.00 0.00 C ATOM 497 O LEU A 159 3.508 -2.100 -8.342 1.00 0.00 O ATOM 498 CB LEU A 159 4.212 -5.465 -8.696 1.00 0.00 C ATOM 499 CG LEU A 159 5.367 -6.430 -8.422 1.00 0.00 C ATOM 500 CD1 LEU A 159 5.271 -7.649 -9.326 1.00 0.00 C ATOM 501 CD2 LEU A 159 6.704 -5.728 -8.609 1.00 0.00 C ATOM 0 H LEU A 159 3.180 -5.877 -6.495 1.00 0.00 H new ATOM 0 HA LEU A 159 4.977 -3.908 -7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.290 -6.043 -8.761 1.00 0.00 H new ATOM 0 HB3 LEU A 159 4.371 -5.008 -9.672 1.00 0.00 H new ATOM 0 HG LEU A 159 5.297 -6.765 -7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 159 6.101 -8.324 -9.116 1.00 0.00 H new ATOM 0 HD12 LEU A 159 4.329 -8.165 -9.142 1.00 0.00 H new ATOM 0 HD13 LEU A 159 5.314 -7.333 -10.368 1.00 0.00 H new ATOM 0 HD21 LEU A 159 7.514 -6.429 -8.410 1.00 0.00 H new ATOM 0 HD22 LEU A 159 6.783 -5.363 -9.633 1.00 0.00 H new ATOM 0 HD23 LEU A 159 6.774 -4.888 -7.918 1.00 0.00 H new ATOM 513 N LYS A 160 1.905 -3.647 -8.646 1.00 0.00 N ATOM 514 CA LYS A 160 0.949 -2.705 -9.217 1.00 0.00 C ATOM 515 C LYS A 160 0.863 -1.438 -8.372 1.00 0.00 C ATOM 516 O LYS A 160 1.272 -0.361 -8.807 1.00 0.00 O ATOM 517 CB LYS A 160 -0.433 -3.352 -9.327 1.00 0.00 C ATOM 518 CG LYS A 160 -0.664 -4.073 -10.644 1.00 0.00 C ATOM 519 CD LYS A 160 -2.121 -4.469 -10.815 1.00 0.00 C ATOM 520 CE LYS A 160 -2.954 -3.314 -11.348 1.00 0.00 C ATOM 521 NZ LYS A 160 -4.335 -3.744 -11.704 1.00 0.00 N ATOM 0 H LYS A 160 1.563 -4.606 -8.580 1.00 0.00 H new ATOM 0 HA LYS A 160 1.296 -2.433 -10.214 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.560 -4.060 -8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -1.196 -2.583 -9.205 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -0.362 -3.429 -11.470 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -0.037 -4.963 -10.687 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -2.191 -5.315 -11.498 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -2.524 -4.798 -9.857 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.001 -2.524 -10.598 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.468 -2.891 -12.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -4.871 -2.928 -12.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -4.291 -4.480 -12.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -4.809 -4.125 -10.860 1.00 0.00 H new ATOM 535 N LEU A 161 0.330 -1.574 -7.163 1.00 0.00 N ATOM 536 CA LEU A 161 0.192 -0.440 -6.256 1.00 0.00 C ATOM 537 C LEU A 161 1.430 0.450 -6.305 1.00 0.00 C ATOM 538 O LEU A 161 1.342 1.634 -6.630 1.00 0.00 O ATOM 539 CB LEU A 161 -0.041 -0.930 -4.826 1.00 0.00 C ATOM 540 CG LEU A 161 -1.428 -1.504 -4.531 1.00 0.00 C ATOM 541 CD1 LEU A 161 -1.393 -2.369 -3.281 1.00 0.00 C ATOM 542 CD2 LEU A 161 -2.447 -0.384 -4.378 1.00 0.00 C ATOM 0 H LEU A 161 -0.014 -2.458 -6.788 1.00 0.00 H new ATOM 0 HA LEU A 161 -0.668 0.147 -6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 161 0.702 -1.694 -4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 161 0.139 -0.099 -4.144 1.00 0.00 H new ATOM 0 HG LEU A 161 -1.728 -2.129 -5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 161 -2.388 -2.769 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 161 -0.694 -3.192 -3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 161 -1.072 -1.767 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 161 -3.428 -0.811 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 161 -2.151 0.267 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 161 -2.493 0.195 -5.300 1.00 0.00 H new ATOM 554 N GLU A 162 2.582 -0.128 -5.981 1.00 0.00 N ATOM 555 CA GLU A 162 3.837 0.613 -5.989 1.00 0.00 C ATOM 556 C GLU A 162 3.941 1.493 -7.232 1.00 0.00 C ATOM 557 O GLU A 162 3.969 2.720 -7.134 1.00 0.00 O ATOM 558 CB GLU A 162 5.025 -0.350 -5.933 1.00 0.00 C ATOM 559 CG GLU A 162 6.344 0.328 -5.606 1.00 0.00 C ATOM 560 CD GLU A 162 7.084 0.795 -6.845 1.00 0.00 C ATOM 561 OE1 GLU A 162 6.416 1.111 -7.851 1.00 0.00 O ATOM 562 OE2 GLU A 162 8.331 0.844 -6.807 1.00 0.00 O ATOM 0 H GLU A 162 2.672 -1.107 -5.710 1.00 0.00 H new ATOM 0 HA GLU A 162 3.856 1.254 -5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 162 4.825 -1.117 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 162 5.116 -0.858 -6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 162 6.157 1.182 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 162 6.976 -0.364 -5.050 1.00 0.00 H new ATOM 569 N GLN A 163 3.998 0.857 -8.397 1.00 0.00 N ATOM 570 CA GLN A 163 4.100 1.582 -9.658 1.00 0.00 C ATOM 571 C GLN A 163 3.168 2.789 -9.669 1.00 0.00 C ATOM 572 O GLN A 163 3.585 3.904 -9.979 1.00 0.00 O ATOM 573 CB GLN A 163 3.771 0.657 -10.831 1.00 0.00 C ATOM 574 CG GLN A 163 3.445 1.398 -12.118 1.00 0.00 C ATOM 575 CD GLN A 163 4.579 2.293 -12.579 1.00 0.00 C ATOM 576 OE1 GLN A 163 4.550 3.507 -12.375 1.00 0.00 O ATOM 577 NE2 GLN A 163 5.587 1.696 -13.204 1.00 0.00 N ATOM 0 H GLN A 163 3.975 -0.158 -8.494 1.00 0.00 H new ATOM 0 HA GLN A 163 5.125 1.937 -9.762 1.00 0.00 H new ATOM 0 HB2 GLN A 163 4.618 -0.006 -11.008 1.00 0.00 H new ATOM 0 HB3 GLN A 163 2.924 0.027 -10.560 1.00 0.00 H new ATOM 0 HG2 GLN A 163 3.216 0.675 -12.901 1.00 0.00 H new ATOM 0 HG3 GLN A 163 2.549 2.001 -11.969 1.00 0.00 H new ATOM 0 HE21 GLN A 163 5.570 0.687 -13.352 1.00 0.00 H new ATOM 0 HE22 GLN A 163 6.379 2.247 -13.536 1.00 0.00 H new ATOM 586 N GLU A 164 1.903 2.557 -9.330 1.00 0.00 N ATOM 587 CA GLU A 164 0.912 3.626 -9.302 1.00 0.00 C ATOM 588 C GLU A 164 1.344 4.744 -8.358 1.00 0.00 C ATOM 589 O GLU A 164 1.294 5.923 -8.712 1.00 0.00 O ATOM 590 CB GLU A 164 -0.450 3.077 -8.871 1.00 0.00 C ATOM 591 CG GLU A 164 -1.059 2.107 -9.870 1.00 0.00 C ATOM 592 CD GLU A 164 -1.146 2.688 -11.268 1.00 0.00 C ATOM 593 OE1 GLU A 164 -1.518 3.873 -11.397 1.00 0.00 O ATOM 594 OE2 GLU A 164 -0.841 1.956 -12.233 1.00 0.00 O ATOM 0 H GLU A 164 1.541 1.639 -9.071 1.00 0.00 H new ATOM 0 HA GLU A 164 0.829 4.036 -10.308 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -0.342 2.575 -7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -1.137 3.910 -8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -0.462 1.195 -9.896 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -2.057 1.825 -9.535 1.00 0.00 H new ATOM 601 N ILE A 165 1.767 4.366 -7.157 1.00 0.00 N ATOM 602 CA ILE A 165 2.208 5.336 -6.162 1.00 0.00 C ATOM 603 C ILE A 165 3.287 6.253 -6.729 1.00 0.00 C ATOM 604 O ILE A 165 3.211 7.475 -6.597 1.00 0.00 O ATOM 605 CB ILE A 165 2.751 4.641 -4.900 1.00 0.00 C ATOM 606 CG1 ILE A 165 1.600 4.065 -4.073 1.00 0.00 C ATOM 607 CG2 ILE A 165 3.571 5.618 -4.069 1.00 0.00 C ATOM 608 CD1 ILE A 165 2.048 3.429 -2.776 1.00 0.00 C ATOM 0 H ILE A 165 1.814 3.395 -6.849 1.00 0.00 H new ATOM 0 HA ILE A 165 1.335 5.930 -5.892 1.00 0.00 H new ATOM 0 HB ILE A 165 3.400 3.820 -5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 165 0.889 4.861 -3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 165 1.071 3.321 -4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 165 3.948 5.112 -3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 165 4.409 5.985 -4.661 1.00 0.00 H new ATOM 0 HG23 ILE A 165 2.943 6.457 -3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 165 1.180 3.042 -2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 165 2.736 2.611 -2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 165 2.551 4.174 -2.160 1.00 0.00 H new ATOM 620 N LEU A 166 4.290 5.655 -7.362 1.00 0.00 N ATOM 621 CA LEU A 166 5.385 6.417 -7.952 1.00 0.00 C ATOM 622 C LEU A 166 4.856 7.476 -8.914 1.00 0.00 C ATOM 623 O LEU A 166 5.167 8.659 -8.782 1.00 0.00 O ATOM 624 CB LEU A 166 6.348 5.481 -8.685 1.00 0.00 C ATOM 625 CG LEU A 166 7.147 4.518 -7.806 1.00 0.00 C ATOM 626 CD1 LEU A 166 7.894 3.509 -8.663 1.00 0.00 C ATOM 627 CD2 LEU A 166 8.114 5.286 -6.917 1.00 0.00 C ATOM 0 H LEU A 166 4.368 4.645 -7.480 1.00 0.00 H new ATOM 0 HA LEU A 166 5.920 6.920 -7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 166 5.776 4.895 -9.405 1.00 0.00 H new ATOM 0 HB3 LEU A 166 7.051 6.089 -9.255 1.00 0.00 H new ATOM 0 HG LEU A 166 6.450 3.975 -7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 166 8.457 2.832 -8.021 1.00 0.00 H new ATOM 0 HD12 LEU A 166 7.181 2.937 -9.256 1.00 0.00 H new ATOM 0 HD13 LEU A 166 8.581 4.034 -9.327 1.00 0.00 H new ATOM 0 HD21 LEU A 166 8.674 4.585 -6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 166 8.806 5.855 -7.538 1.00 0.00 H new ATOM 0 HD23 LEU A 166 7.556 5.969 -6.277 1.00 0.00 H new ATOM 639 N GLU A 167 4.052 7.041 -9.880 1.00 0.00 N ATOM 640 CA GLU A 167 3.479 7.952 -10.863 1.00 0.00 C ATOM 641 C GLU A 167 2.738 9.097 -10.178 1.00 0.00 C ATOM 642 O GLU A 167 2.822 10.249 -10.604 1.00 0.00 O ATOM 643 CB GLU A 167 2.526 7.199 -11.794 1.00 0.00 C ATOM 644 CG GLU A 167 3.227 6.221 -12.722 1.00 0.00 C ATOM 645 CD GLU A 167 3.946 6.913 -13.864 1.00 0.00 C ATOM 646 OE1 GLU A 167 3.456 7.967 -14.321 1.00 0.00 O ATOM 647 OE2 GLU A 167 4.998 6.401 -14.301 1.00 0.00 O ATOM 0 H GLU A 167 3.783 6.065 -10.002 1.00 0.00 H new ATOM 0 HA GLU A 167 4.296 8.371 -11.451 1.00 0.00 H new ATOM 0 HB2 GLU A 167 1.797 6.657 -11.192 1.00 0.00 H new ATOM 0 HB3 GLU A 167 1.971 7.921 -12.393 1.00 0.00 H new ATOM 0 HG2 GLU A 167 3.944 5.633 -12.149 1.00 0.00 H new ATOM 0 HG3 GLU A 167 2.495 5.523 -13.128 1.00 0.00 H new ATOM 654 N PHE A 168 2.014 8.771 -9.112 1.00 0.00 N ATOM 655 CA PHE A 168 1.257 9.771 -8.367 1.00 0.00 C ATOM 656 C PHE A 168 2.185 10.833 -7.786 1.00 0.00 C ATOM 657 O PHE A 168 1.964 12.031 -7.966 1.00 0.00 O ATOM 658 CB PHE A 168 0.459 9.105 -7.245 1.00 0.00 C ATOM 659 CG PHE A 168 0.034 10.058 -6.164 1.00 0.00 C ATOM 660 CD1 PHE A 168 -0.789 11.133 -6.456 1.00 0.00 C ATOM 661 CD2 PHE A 168 0.459 9.879 -4.858 1.00 0.00 C ATOM 662 CE1 PHE A 168 -1.182 12.012 -5.464 1.00 0.00 C ATOM 663 CE2 PHE A 168 0.069 10.754 -3.862 1.00 0.00 C ATOM 664 CZ PHE A 168 -0.752 11.823 -4.165 1.00 0.00 C ATOM 0 H PHE A 168 1.935 7.823 -8.745 1.00 0.00 H new ATOM 0 HA PHE A 168 0.566 10.256 -9.056 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -0.426 8.633 -7.671 1.00 0.00 H new ATOM 0 HB3 PHE A 168 1.062 8.312 -6.803 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -1.128 11.286 -7.470 1.00 0.00 H new ATOM 0 HD2 PHE A 168 1.102 9.046 -4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -1.825 12.846 -5.705 1.00 0.00 H new ATOM 0 HE2 PHE A 168 0.406 10.602 -2.847 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.057 12.509 -3.388 1.00 0.00 H new ATOM 674 N ILE A 169 3.224 10.386 -7.088 1.00 0.00 N ATOM 675 CA ILE A 169 4.185 11.297 -6.481 1.00 0.00 C ATOM 676 C ILE A 169 4.732 12.283 -7.508 1.00 0.00 C ATOM 677 O ILE A 169 4.780 13.488 -7.262 1.00 0.00 O ATOM 678 CB ILE A 169 5.360 10.533 -5.843 1.00 0.00 C ATOM 679 CG1 ILE A 169 4.848 9.569 -4.771 1.00 0.00 C ATOM 680 CG2 ILE A 169 6.367 11.508 -5.251 1.00 0.00 C ATOM 681 CD1 ILE A 169 5.855 8.510 -4.380 1.00 0.00 C ATOM 0 H ILE A 169 3.421 9.398 -6.929 1.00 0.00 H new ATOM 0 HA ILE A 169 3.653 11.844 -5.703 1.00 0.00 H new ATOM 0 HB ILE A 169 5.860 9.952 -6.618 1.00 0.00 H new ATOM 0 HG12 ILE A 169 4.569 10.139 -3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 169 3.943 9.082 -5.134 1.00 0.00 H new ATOM 0 HG21 ILE A 169 7.191 10.953 -4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 169 6.751 12.157 -6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 169 5.881 12.114 -4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 169 5.424 7.863 -3.616 1.00 0.00 H new ATOM 0 HD12 ILE A 169 6.116 7.915 -5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 169 6.752 8.988 -3.986 1.00 0.00 H new ATOM 693 N ASN A 170 5.142 11.763 -8.660 1.00 0.00 N ATOM 694 CA ASN A 170 5.684 12.598 -9.726 1.00 0.00 C ATOM 695 C ASN A 170 4.617 13.537 -10.278 1.00 0.00 C ATOM 696 O ASN A 170 4.878 14.714 -10.524 1.00 0.00 O ATOM 697 CB ASN A 170 6.244 11.725 -10.851 1.00 0.00 C ATOM 698 CG ASN A 170 6.578 12.528 -12.093 1.00 0.00 C ATOM 699 OD1 ASN A 170 7.377 13.463 -12.045 1.00 0.00 O ATOM 700 ND2 ASN A 170 5.966 12.165 -13.215 1.00 0.00 N ATOM 0 H ASN A 170 5.109 10.767 -8.879 1.00 0.00 H new ATOM 0 HA ASN A 170 6.490 13.200 -9.307 1.00 0.00 H new ATOM 0 HB2 ASN A 170 7.141 11.215 -10.499 1.00 0.00 H new ATOM 0 HB3 ASN A 170 5.517 10.953 -11.105 1.00 0.00 H new ATOM 0 HD21 ASN A 170 6.151 12.668 -14.083 1.00 0.00 H new ATOM 0 HD22 ASN A 170 5.311 11.383 -13.209 1.00 0.00 H new ATOM 707 N ASP A 171 3.413 13.008 -10.470 1.00 0.00 N ATOM 708 CA ASP A 171 2.305 13.798 -10.992 1.00 0.00 C ATOM 709 C ASP A 171 2.122 15.079 -10.183 1.00 0.00 C ATOM 710 O ASP A 171 1.901 15.034 -8.973 1.00 0.00 O ATOM 711 CB ASP A 171 1.013 12.980 -10.973 1.00 0.00 C ATOM 712 CG ASP A 171 -0.116 13.661 -11.721 1.00 0.00 C ATOM 713 OD1 ASP A 171 -0.237 14.899 -11.614 1.00 0.00 O ATOM 714 OD2 ASP A 171 -0.877 12.955 -12.415 1.00 0.00 O ATOM 0 H ASP A 171 3.180 12.035 -10.272 1.00 0.00 H new ATOM 0 HA ASP A 171 2.539 14.069 -12.021 1.00 0.00 H new ATOM 0 HB2 ASP A 171 1.200 12.002 -11.416 1.00 0.00 H new ATOM 0 HB3 ASP A 171 0.710 12.810 -9.940 1.00 0.00 H new ATOM 719 N ASN A 172 2.217 16.219 -10.859 1.00 0.00 N ATOM 720 CA ASN A 172 2.064 17.512 -10.203 1.00 0.00 C ATOM 721 C ASN A 172 0.614 17.982 -10.257 1.00 0.00 C ATOM 722 O ASN A 172 0.069 18.465 -9.266 1.00 0.00 O ATOM 723 CB ASN A 172 2.974 18.552 -10.860 1.00 0.00 C ATOM 724 CG ASN A 172 4.445 18.247 -10.651 1.00 0.00 C ATOM 725 OD1 ASN A 172 4.807 17.163 -10.195 1.00 0.00 O ATOM 726 ND2 ASN A 172 5.300 19.207 -10.985 1.00 0.00 N ATOM 0 H ASN A 172 2.399 16.274 -11.861 1.00 0.00 H new ATOM 0 HA ASN A 172 2.351 17.397 -9.158 1.00 0.00 H new ATOM 0 HB2 ASN A 172 2.762 18.593 -11.928 1.00 0.00 H new ATOM 0 HB3 ASN A 172 2.748 19.537 -10.452 1.00 0.00 H new ATOM 0 HD21 ASN A 172 6.303 19.061 -10.867 1.00 0.00 H new ATOM 0 HD22 ASN A 172 4.954 20.090 -11.360 1.00 0.00 H new ATOM 733 N ASN A 173 -0.006 17.835 -11.424 1.00 0.00 N ATOM 734 CA ASN A 173 -1.394 18.244 -11.609 1.00 0.00 C ATOM 735 C ASN A 173 -2.252 17.807 -10.426 1.00 0.00 C ATOM 736 O ASN A 173 -3.128 18.544 -9.975 1.00 0.00 O ATOM 737 CB ASN A 173 -1.953 17.654 -12.905 1.00 0.00 C ATOM 738 CG ASN A 173 -3.424 17.971 -13.097 1.00 0.00 C ATOM 739 OD1 ASN A 173 -4.286 17.119 -12.884 1.00 0.00 O ATOM 740 ND2 ASN A 173 -3.716 19.201 -13.502 1.00 0.00 N ATOM 0 H ASN A 173 0.431 17.436 -12.255 1.00 0.00 H new ATOM 0 HA ASN A 173 -1.421 19.332 -11.672 1.00 0.00 H new ATOM 0 HB2 ASN A 173 -1.387 18.042 -13.752 1.00 0.00 H new ATOM 0 HB3 ASN A 173 -1.815 16.573 -12.898 1.00 0.00 H new ATOM 0 HD21 ASN A 173 -4.688 19.472 -13.649 1.00 0.00 H new ATOM 0 HD22 ASN A 173 -2.968 19.875 -13.666 1.00 0.00 H new ATOM 747 N ASN A 174 -1.994 16.602 -9.928 1.00 0.00 N ATOM 748 CA ASN A 174 -2.742 16.065 -8.797 1.00 0.00 C ATOM 749 C ASN A 174 -2.016 16.341 -7.484 1.00 0.00 C ATOM 750 O ASN A 174 -0.833 16.680 -7.478 1.00 0.00 O ATOM 751 CB ASN A 174 -2.957 14.560 -8.968 1.00 0.00 C ATOM 752 CG ASN A 174 -4.164 14.242 -9.829 1.00 0.00 C ATOM 753 OD1 ASN A 174 -4.908 15.137 -10.229 1.00 0.00 O ATOM 754 ND2 ASN A 174 -4.363 12.961 -10.118 1.00 0.00 N ATOM 0 H ASN A 174 -1.272 15.979 -10.290 1.00 0.00 H new ATOM 0 HA ASN A 174 -3.712 16.562 -8.767 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -2.068 14.117 -9.417 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -3.082 14.100 -7.988 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -5.159 12.686 -10.693 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -3.720 12.253 -9.764 1.00 0.00 H new ATOM 761 N GLN A 175 -2.733 16.191 -6.375 1.00 0.00 N ATOM 762 CA GLN A 175 -2.157 16.424 -5.056 1.00 0.00 C ATOM 763 C GLN A 175 -2.472 15.269 -4.112 1.00 0.00 C ATOM 764 O GLN A 175 -1.613 14.822 -3.352 1.00 0.00 O ATOM 765 CB GLN A 175 -2.684 17.735 -4.470 1.00 0.00 C ATOM 766 CG GLN A 175 -2.123 18.974 -5.149 1.00 0.00 C ATOM 767 CD GLN A 175 -2.879 20.235 -4.780 1.00 0.00 C ATOM 768 OE1 GLN A 175 -3.641 20.256 -3.813 1.00 0.00 O ATOM 769 NE2 GLN A 175 -2.672 21.297 -5.551 1.00 0.00 N ATOM 0 H GLN A 175 -3.713 15.909 -6.364 1.00 0.00 H new ATOM 0 HA GLN A 175 -1.075 16.493 -5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 175 -3.771 17.748 -4.550 1.00 0.00 H new ATOM 0 HB3 GLN A 175 -2.442 17.772 -3.408 1.00 0.00 H new ATOM 0 HG2 GLN A 175 -1.074 19.090 -4.875 1.00 0.00 H new ATOM 0 HG3 GLN A 175 -2.157 18.838 -6.230 1.00 0.00 H new ATOM 0 HE21 GLN A 175 -2.032 21.236 -6.343 1.00 0.00 H new ATOM 0 HE22 GLN A 175 -3.153 22.174 -5.351 1.00 0.00 H new ATOM 778 N PHE A 176 -3.710 14.789 -4.166 1.00 0.00 N ATOM 779 CA PHE A 176 -4.140 13.685 -3.315 1.00 0.00 C ATOM 780 C PHE A 176 -4.499 12.461 -4.151 1.00 0.00 C ATOM 781 O PHE A 176 -4.751 12.567 -5.352 1.00 0.00 O ATOM 782 CB PHE A 176 -5.341 14.107 -2.465 1.00 0.00 C ATOM 783 CG PHE A 176 -4.958 14.797 -1.187 1.00 0.00 C ATOM 784 CD1 PHE A 176 -4.700 16.159 -1.171 1.00 0.00 C ATOM 785 CD2 PHE A 176 -4.856 14.086 -0.003 1.00 0.00 C ATOM 786 CE1 PHE A 176 -4.347 16.797 0.003 1.00 0.00 C ATOM 787 CE2 PHE A 176 -4.504 14.718 1.174 1.00 0.00 C ATOM 788 CZ PHE A 176 -4.250 16.076 1.178 1.00 0.00 C ATOM 0 H PHE A 176 -4.433 15.147 -4.790 1.00 0.00 H new ATOM 0 HA PHE A 176 -3.312 13.422 -2.657 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -5.975 14.772 -3.051 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -5.936 13.225 -2.228 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -4.776 16.728 -2.086 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -5.054 13.024 0.000 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -4.147 17.858 0.002 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.427 14.151 2.090 1.00 0.00 H new ATOM 0 HZ PHE A 176 -3.976 16.573 2.097 1.00 0.00 H new ATOM 798 N LYS A 177 -4.520 11.298 -3.509 1.00 0.00 N ATOM 799 CA LYS A 177 -4.849 10.052 -4.191 1.00 0.00 C ATOM 800 C LYS A 177 -5.734 9.170 -3.316 1.00 0.00 C ATOM 801 O LYS A 177 -5.468 8.991 -2.127 1.00 0.00 O ATOM 802 CB LYS A 177 -3.570 9.299 -4.565 1.00 0.00 C ATOM 803 CG LYS A 177 -3.825 7.910 -5.124 1.00 0.00 C ATOM 804 CD LYS A 177 -3.991 7.939 -6.634 1.00 0.00 C ATOM 805 CE LYS A 177 -3.748 6.568 -7.248 1.00 0.00 C ATOM 806 NZ LYS A 177 -4.544 6.369 -8.491 1.00 0.00 N ATOM 0 H LYS A 177 -4.313 11.192 -2.516 1.00 0.00 H new ATOM 0 HA LYS A 177 -5.398 10.298 -5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 177 -3.017 9.882 -5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -2.936 9.216 -3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 177 -2.996 7.253 -4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -4.721 7.491 -4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 177 -4.996 8.278 -6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 177 -3.295 8.660 -7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 177 -2.688 6.454 -7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 177 -4.005 5.795 -6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 -4.351 5.424 -8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 -5.557 6.453 -8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 -4.280 7.091 -9.191 1.00 0.00 H new ATOM 820 N LYS A 178 -6.786 8.620 -3.912 1.00 0.00 N ATOM 821 CA LYS A 178 -7.710 7.754 -3.188 1.00 0.00 C ATOM 822 C LYS A 178 -7.835 6.397 -3.875 1.00 0.00 C ATOM 823 O LYS A 178 -7.967 6.319 -5.096 1.00 0.00 O ATOM 824 CB LYS A 178 -9.086 8.414 -3.085 1.00 0.00 C ATOM 825 CG LYS A 178 -10.158 7.500 -2.517 1.00 0.00 C ATOM 826 CD LYS A 178 -11.537 7.863 -3.042 1.00 0.00 C ATOM 827 CE LYS A 178 -12.627 7.500 -2.045 1.00 0.00 C ATOM 828 NZ LYS A 178 -13.845 8.338 -2.226 1.00 0.00 N ATOM 0 H LYS A 178 -7.021 8.758 -4.895 1.00 0.00 H new ATOM 0 HA LYS A 178 -7.313 7.599 -2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 178 -9.008 9.302 -2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 178 -9.394 8.750 -4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 178 -9.930 6.466 -2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 178 -10.153 7.565 -1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 178 -11.577 8.932 -3.253 1.00 0.00 H new ATOM 0 HD3 LYS A 178 -11.717 7.345 -3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 178 -12.889 6.448 -2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 178 -12.248 7.625 -1.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 -14.564 8.060 -1.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 -13.600 9.340 -2.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 -14.222 8.200 -3.185 1.00 0.00 H new ATOM 842 N PHE A 179 -7.793 5.332 -3.082 1.00 0.00 N ATOM 843 CA PHE A 179 -7.902 3.978 -3.614 1.00 0.00 C ATOM 844 C PHE A 179 -9.326 3.450 -3.470 1.00 0.00 C ATOM 845 O PHE A 179 -10.082 3.862 -2.589 1.00 0.00 O ATOM 846 CB PHE A 179 -6.925 3.045 -2.896 1.00 0.00 C ATOM 847 CG PHE A 179 -5.499 3.216 -3.336 1.00 0.00 C ATOM 848 CD1 PHE A 179 -5.071 2.709 -4.553 1.00 0.00 C ATOM 849 CD2 PHE A 179 -4.588 3.884 -2.535 1.00 0.00 C ATOM 850 CE1 PHE A 179 -3.759 2.864 -4.960 1.00 0.00 C ATOM 851 CE2 PHE A 179 -3.275 4.042 -2.937 1.00 0.00 C ATOM 852 CZ PHE A 179 -2.861 3.533 -4.152 1.00 0.00 C ATOM 0 H PHE A 179 -7.684 5.380 -2.069 1.00 0.00 H new ATOM 0 HA PHE A 179 -7.651 4.010 -4.674 1.00 0.00 H new ATOM 0 HB2 PHE A 179 -6.989 3.222 -1.822 1.00 0.00 H new ATOM 0 HB3 PHE A 179 -7.228 2.012 -3.068 1.00 0.00 H new ATOM 0 HD1 PHE A 179 -5.770 2.187 -5.190 1.00 0.00 H new ATOM 0 HD2 PHE A 179 -4.907 4.286 -1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 179 -3.437 2.462 -5.909 1.00 0.00 H new ATOM 0 HE2 PHE A 179 -2.574 4.563 -2.302 1.00 0.00 H new ATOM 0 HZ PHE A 179 -1.836 3.658 -4.470 1.00 0.00 H new ATOM 862 N PRO A 180 -9.704 2.517 -4.356 1.00 0.00 N ATOM 863 CA PRO A 180 -11.039 1.912 -4.349 1.00 0.00 C ATOM 864 C PRO A 180 -11.255 0.999 -3.147 1.00 0.00 C ATOM 865 O PRO A 180 -10.316 0.689 -2.416 1.00 0.00 O ATOM 866 CB PRO A 180 -11.069 1.103 -5.648 1.00 0.00 C ATOM 867 CG PRO A 180 -9.639 0.800 -5.939 1.00 0.00 C ATOM 868 CD PRO A 180 -8.855 1.980 -5.433 1.00 0.00 C ATOM 0 HA PRO A 180 -11.826 2.663 -4.281 1.00 0.00 H new ATOM 0 HB2 PRO A 180 -11.652 0.189 -5.532 1.00 0.00 H new ATOM 0 HB3 PRO A 180 -11.526 1.672 -6.458 1.00 0.00 H new ATOM 0 HG2 PRO A 180 -9.326 -0.119 -5.443 1.00 0.00 H new ATOM 0 HG3 PRO A 180 -9.480 0.655 -7.008 1.00 0.00 H new ATOM 0 HD2 PRO A 180 -7.875 1.682 -5.061 1.00 0.00 H new ATOM 0 HD3 PRO A 180 -8.687 2.717 -6.218 1.00 0.00 H new ATOM 876 N GLN A 181 -12.498 0.571 -2.951 1.00 0.00 N ATOM 877 CA GLN A 181 -12.837 -0.307 -1.837 1.00 0.00 C ATOM 878 C GLN A 181 -11.763 -1.372 -1.638 1.00 0.00 C ATOM 879 O GLN A 181 -11.422 -2.104 -2.567 1.00 0.00 O ATOM 880 CB GLN A 181 -14.193 -0.972 -2.078 1.00 0.00 C ATOM 881 CG GLN A 181 -15.376 -0.095 -1.699 1.00 0.00 C ATOM 882 CD GLN A 181 -16.706 -0.802 -1.874 1.00 0.00 C ATOM 883 OE1 GLN A 181 -17.439 -0.542 -2.829 1.00 0.00 O ATOM 884 NE2 GLN A 181 -17.024 -1.701 -0.951 1.00 0.00 N ATOM 0 H GLN A 181 -13.287 0.818 -3.549 1.00 0.00 H new ATOM 0 HA GLN A 181 -12.894 0.300 -0.933 1.00 0.00 H new ATOM 0 HB2 GLN A 181 -14.274 -1.242 -3.131 1.00 0.00 H new ATOM 0 HB3 GLN A 181 -14.241 -1.899 -1.507 1.00 0.00 H new ATOM 0 HG2 GLN A 181 -15.271 0.222 -0.661 1.00 0.00 H new ATOM 0 HG3 GLN A 181 -15.365 0.807 -2.310 1.00 0.00 H new ATOM 0 HE21 GLN A 181 -16.386 -1.884 -0.177 1.00 0.00 H new ATOM 0 HE22 GLN A 181 -17.906 -2.209 -1.016 1.00 0.00 H new ATOM 893 N MET A 182 -11.235 -1.452 -0.422 1.00 0.00 N ATOM 894 CA MET A 182 -10.200 -2.429 -0.101 1.00 0.00 C ATOM 895 C MET A 182 -10.698 -3.426 0.941 1.00 0.00 C ATOM 896 O MET A 182 -11.395 -3.056 1.886 1.00 0.00 O ATOM 897 CB MET A 182 -8.943 -1.723 0.411 1.00 0.00 C ATOM 898 CG MET A 182 -8.402 -0.674 -0.547 1.00 0.00 C ATOM 899 SD MET A 182 -8.253 -1.288 -2.236 1.00 0.00 S ATOM 900 CE MET A 182 -6.609 -0.718 -2.660 1.00 0.00 C ATOM 0 H MET A 182 -11.506 -0.853 0.358 1.00 0.00 H new ATOM 0 HA MET A 182 -9.955 -2.975 -1.012 1.00 0.00 H new ATOM 0 HB2 MET A 182 -9.166 -1.249 1.367 1.00 0.00 H new ATOM 0 HB3 MET A 182 -8.169 -2.467 0.597 1.00 0.00 H new ATOM 0 HG2 MET A 182 -9.060 0.195 -0.537 1.00 0.00 H new ATOM 0 HG3 MET A 182 -7.425 -0.339 -0.199 1.00 0.00 H new ATOM 0 HE1 MET A 182 -6.585 -0.425 -3.709 1.00 0.00 H new ATOM 0 HE2 MET A 182 -6.349 0.138 -2.038 1.00 0.00 H new ATOM 0 HE3 MET A 182 -5.891 -1.520 -2.491 1.00 0.00 H new ATOM 910 N THR A 183 -10.335 -4.692 0.762 1.00 0.00 N ATOM 911 CA THR A 183 -10.746 -5.742 1.685 1.00 0.00 C ATOM 912 C THR A 183 -9.899 -5.723 2.952 1.00 0.00 C ATOM 913 O THR A 183 -8.965 -4.930 3.074 1.00 0.00 O ATOM 914 CB THR A 183 -10.643 -7.135 1.034 1.00 0.00 C ATOM 915 OG1 THR A 183 -9.283 -7.581 1.044 1.00 0.00 O ATOM 916 CG2 THR A 183 -11.162 -7.103 -0.396 1.00 0.00 C ATOM 0 H THR A 183 -9.757 -5.015 -0.014 1.00 0.00 H new ATOM 0 HA THR A 183 -11.787 -5.545 1.943 1.00 0.00 H new ATOM 0 HB THR A 183 -11.256 -7.828 1.611 1.00 0.00 H new ATOM 0 HG1 THR A 183 -9.226 -8.467 0.630 1.00 0.00 H new ATOM 0 HG21 THR A 183 -11.079 -8.097 -0.835 1.00 0.00 H new ATOM 0 HG22 THR A 183 -12.207 -6.791 -0.397 1.00 0.00 H new ATOM 0 HG23 THR A 183 -10.572 -6.398 -0.981 1.00 0.00 H new ATOM 924 N SER A 184 -10.231 -6.600 3.894 1.00 0.00 N ATOM 925 CA SER A 184 -9.502 -6.681 5.155 1.00 0.00 C ATOM 926 C SER A 184 -8.000 -6.788 4.907 1.00 0.00 C ATOM 927 O SER A 184 -7.203 -6.103 5.548 1.00 0.00 O ATOM 928 CB SER A 184 -9.983 -7.882 5.971 1.00 0.00 C ATOM 929 OG SER A 184 -9.342 -7.930 7.234 1.00 0.00 O ATOM 0 H SER A 184 -11.000 -7.265 3.808 1.00 0.00 H new ATOM 0 HA SER A 184 -9.696 -5.768 5.718 1.00 0.00 H new ATOM 0 HB2 SER A 184 -11.063 -7.823 6.110 1.00 0.00 H new ATOM 0 HB3 SER A 184 -9.782 -8.802 5.423 1.00 0.00 H new ATOM 0 HG SER A 184 -9.668 -8.706 7.737 1.00 0.00 H new ATOM 935 N TYR A 185 -7.621 -7.654 3.974 1.00 0.00 N ATOM 936 CA TYR A 185 -6.216 -7.855 3.643 1.00 0.00 C ATOM 937 C TYR A 185 -5.665 -6.666 2.862 1.00 0.00 C ATOM 938 O TYR A 185 -4.648 -6.080 3.235 1.00 0.00 O ATOM 939 CB TYR A 185 -6.040 -9.139 2.829 1.00 0.00 C ATOM 940 CG TYR A 185 -4.699 -9.807 3.035 1.00 0.00 C ATOM 941 CD1 TYR A 185 -4.462 -10.604 4.148 1.00 0.00 C ATOM 942 CD2 TYR A 185 -3.669 -9.639 2.117 1.00 0.00 C ATOM 943 CE1 TYR A 185 -3.238 -11.216 4.340 1.00 0.00 C ATOM 944 CE2 TYR A 185 -2.443 -10.249 2.301 1.00 0.00 C ATOM 945 CZ TYR A 185 -2.232 -11.036 3.414 1.00 0.00 C ATOM 946 OH TYR A 185 -1.012 -11.643 3.601 1.00 0.00 O ATOM 0 H TYR A 185 -8.268 -8.228 3.433 1.00 0.00 H new ATOM 0 HA TYR A 185 -5.659 -7.944 4.576 1.00 0.00 H new ATOM 0 HB2 TYR A 185 -6.831 -9.840 3.096 1.00 0.00 H new ATOM 0 HB3 TYR A 185 -6.163 -8.908 1.771 1.00 0.00 H new ATOM 0 HD1 TYR A 185 -5.247 -10.748 4.875 1.00 0.00 H new ATOM 0 HD2 TYR A 185 -3.830 -9.022 1.246 1.00 0.00 H new ATOM 0 HE1 TYR A 185 -3.070 -11.832 5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 185 -1.654 -10.110 1.577 1.00 0.00 H new ATOM 0 HH TYR A 185 -0.416 -11.415 2.857 1.00 0.00 H new ATOM 956 N HIS A 186 -6.345 -6.313 1.775 1.00 0.00 N ATOM 957 CA HIS A 186 -5.925 -5.193 0.941 1.00 0.00 C ATOM 958 C HIS A 186 -5.594 -3.973 1.795 1.00 0.00 C ATOM 959 O HIS A 186 -4.517 -3.391 1.672 1.00 0.00 O ATOM 960 CB HIS A 186 -7.021 -4.842 -0.067 1.00 0.00 C ATOM 961 CG HIS A 186 -7.237 -5.897 -1.107 1.00 0.00 C ATOM 962 ND1 HIS A 186 -7.779 -5.631 -2.347 1.00 0.00 N ATOM 963 CD2 HIS A 186 -6.980 -7.226 -1.088 1.00 0.00 C ATOM 964 CE1 HIS A 186 -7.848 -6.751 -3.044 1.00 0.00 C ATOM 965 NE2 HIS A 186 -7.369 -7.734 -2.303 1.00 0.00 N ATOM 0 H HIS A 186 -7.189 -6.786 1.452 1.00 0.00 H new ATOM 0 HA HIS A 186 -5.026 -5.491 0.401 1.00 0.00 H new ATOM 0 HB2 HIS A 186 -7.956 -4.674 0.468 1.00 0.00 H new ATOM 0 HB3 HIS A 186 -6.763 -3.905 -0.560 1.00 0.00 H new ATOM 0 HD2 HIS A 186 -6.549 -7.783 -0.269 1.00 0.00 H new ATOM 0 HE1 HIS A 186 -8.231 -6.847 -4.049 1.00 0.00 H new ATOM 0 HE2 HIS A 186 -7.299 -8.711 -2.587 1.00 0.00 H new ATOM 974 N ARG A 187 -6.528 -3.592 2.661 1.00 0.00 N ATOM 975 CA ARG A 187 -6.336 -2.440 3.534 1.00 0.00 C ATOM 976 C ARG A 187 -4.959 -2.479 4.189 1.00 0.00 C ATOM 977 O ARG A 187 -4.250 -1.473 4.226 1.00 0.00 O ATOM 978 CB ARG A 187 -7.423 -2.402 4.610 1.00 0.00 C ATOM 979 CG ARG A 187 -7.768 -0.997 5.077 1.00 0.00 C ATOM 980 CD ARG A 187 -8.686 -1.024 6.290 1.00 0.00 C ATOM 981 NE ARG A 187 -7.941 -1.177 7.536 1.00 0.00 N ATOM 982 CZ ARG A 187 -8.517 -1.374 8.717 1.00 0.00 C ATOM 983 NH1 ARG A 187 -9.838 -1.443 8.811 1.00 0.00 N ATOM 984 NH2 ARG A 187 -7.771 -1.505 9.807 1.00 0.00 N ATOM 0 H ARG A 187 -7.425 -4.064 2.777 1.00 0.00 H new ATOM 0 HA ARG A 187 -6.405 -1.538 2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 187 -8.323 -2.878 4.222 1.00 0.00 H new ATOM 0 HB3 ARG A 187 -7.095 -2.990 5.467 1.00 0.00 H new ATOM 0 HG2 ARG A 187 -6.853 -0.459 5.324 1.00 0.00 H new ATOM 0 HG3 ARG A 187 -8.250 -0.451 4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 187 -9.267 -0.102 6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 187 -9.396 -1.845 6.189 1.00 0.00 H new ATOM 0 HE ARG A 187 -6.923 -1.130 7.498 1.00 0.00 H new ATOM 0 HH11 ARG A 187 -10.415 -1.345 7.975 1.00 0.00 H new ATOM 0 HH12 ARG A 187 -10.277 -1.594 9.719 1.00 0.00 H new ATOM 0 HH21 ARG A 187 -6.755 -1.454 9.738 1.00 0.00 H new ATOM 0 HH22 ARG A 187 -8.214 -1.656 10.713 1.00 0.00 H new ATOM 998 N MET A 188 -4.587 -3.645 4.706 1.00 0.00 N ATOM 999 CA MET A 188 -3.294 -3.815 5.359 1.00 0.00 C ATOM 1000 C MET A 188 -2.154 -3.651 4.359 1.00 0.00 C ATOM 1001 O MET A 188 -1.307 -2.769 4.507 1.00 0.00 O ATOM 1002 CB MET A 188 -3.211 -5.190 6.024 1.00 0.00 C ATOM 1003 CG MET A 188 -1.959 -5.384 6.864 1.00 0.00 C ATOM 1004 SD MET A 188 -0.528 -5.863 5.877 1.00 0.00 S ATOM 1005 CE MET A 188 -1.184 -7.276 4.994 1.00 0.00 C ATOM 0 H MET A 188 -5.163 -4.487 4.686 1.00 0.00 H new ATOM 0 HA MET A 188 -3.197 -3.044 6.123 1.00 0.00 H new ATOM 0 HB2 MET A 188 -4.088 -5.333 6.655 1.00 0.00 H new ATOM 0 HB3 MET A 188 -3.244 -5.960 5.253 1.00 0.00 H new ATOM 0 HG2 MET A 188 -1.736 -4.459 7.395 1.00 0.00 H new ATOM 0 HG3 MET A 188 -2.147 -6.148 7.619 1.00 0.00 H new ATOM 0 HE1 MET A 188 -0.365 -7.831 4.537 1.00 0.00 H new ATOM 0 HE2 MET A 188 -1.718 -7.924 5.689 1.00 0.00 H new ATOM 0 HE3 MET A 188 -1.869 -6.934 4.218 1.00 0.00 H new ATOM 1015 N LEU A 189 -2.139 -4.505 3.342 1.00 0.00 N ATOM 1016 CA LEU A 189 -1.102 -4.455 2.317 1.00 0.00 C ATOM 1017 C LEU A 189 -0.791 -3.014 1.926 1.00 0.00 C ATOM 1018 O LEU A 189 0.371 -2.609 1.878 1.00 0.00 O ATOM 1019 CB LEU A 189 -1.538 -5.247 1.083 1.00 0.00 C ATOM 1020 CG LEU A 189 -1.423 -6.769 1.187 1.00 0.00 C ATOM 1021 CD1 LEU A 189 -1.980 -7.433 -0.063 1.00 0.00 C ATOM 1022 CD2 LEU A 189 0.024 -7.180 1.412 1.00 0.00 C ATOM 0 H LEU A 189 -2.833 -5.240 3.205 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.198 -4.904 2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -2.575 -4.995 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -0.942 -4.915 0.233 1.00 0.00 H new ATOM 0 HG LEU A 189 -2.011 -7.101 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -1.890 -8.515 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -3.030 -7.165 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -1.420 -7.095 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 189 0.087 -8.266 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 189 0.634 -6.835 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 189 0.389 -6.734 2.337 1.00 0.00 H new ATOM 1034 N LEU A 190 -1.837 -2.243 1.649 1.00 0.00 N ATOM 1035 CA LEU A 190 -1.677 -0.845 1.265 1.00 0.00 C ATOM 1036 C LEU A 190 -0.957 -0.059 2.356 1.00 0.00 C ATOM 1037 O LEU A 190 0.143 0.453 2.145 1.00 0.00 O ATOM 1038 CB LEU A 190 -3.041 -0.214 0.981 1.00 0.00 C ATOM 1039 CG LEU A 190 -3.041 1.291 0.711 1.00 0.00 C ATOM 1040 CD1 LEU A 190 -2.175 1.617 -0.496 1.00 0.00 C ATOM 1041 CD2 LEU A 190 -4.461 1.795 0.502 1.00 0.00 C ATOM 0 H LEU A 190 -2.805 -2.563 1.683 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.072 -0.810 0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -3.480 -0.717 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 190 -3.694 -0.410 1.831 1.00 0.00 H new ATOM 0 HG LEU A 190 -2.621 1.797 1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -2.187 2.693 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -1.152 1.292 -0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -2.565 1.101 -1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 190 -4.442 2.868 0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 190 -4.907 1.283 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 190 -5.053 1.596 1.395 1.00 0.00 H new ATOM 1053 N HIS A 191 -1.584 0.030 3.525 1.00 0.00 N ATOM 1054 CA HIS A 191 -1.002 0.751 4.652 1.00 0.00 C ATOM 1055 C HIS A 191 0.474 0.401 4.816 1.00 0.00 C ATOM 1056 O HIS A 191 1.283 1.246 5.202 1.00 0.00 O ATOM 1057 CB HIS A 191 -1.761 0.427 5.938 1.00 0.00 C ATOM 1058 CG HIS A 191 -3.147 0.993 5.974 1.00 0.00 C ATOM 1059 ND1 HIS A 191 -4.301 0.479 6.462 1.00 0.00 N flip ATOM 1060 CD2 HIS A 191 -3.468 2.233 5.463 1.00 0.00 C flip ATOM 1061 CE1 HIS A 191 -5.287 1.409 6.241 1.00 0.00 C flip ATOM 1062 NE2 HIS A 191 -4.758 2.458 5.637 1.00 0.00 N flip ATOM 0 H HIS A 191 -2.495 -0.388 3.717 1.00 0.00 H new ATOM 0 HA HIS A 191 -1.084 1.819 4.450 1.00 0.00 H new ATOM 0 HB2 HIS A 191 -1.816 -0.655 6.055 1.00 0.00 H new ATOM 0 HB3 HIS A 191 -1.198 0.811 6.789 1.00 0.00 H new ATOM 0 HD1 HIS A 191 -4.416 -0.430 6.910 1.00 0.00 H new ATOM 0 HD2 HIS A 191 -2.773 2.914 4.994 1.00 0.00 H new ATOM 0 HE1 HIS A 191 -6.326 1.300 6.516 1.00 0.00 H new ATOM 1071 N ARG A 192 0.818 -0.849 4.522 1.00 0.00 N ATOM 1072 CA ARG A 192 2.196 -1.310 4.639 1.00 0.00 C ATOM 1073 C ARG A 192 3.079 -0.661 3.578 1.00 0.00 C ATOM 1074 O ARG A 192 4.095 -0.042 3.895 1.00 0.00 O ATOM 1075 CB ARG A 192 2.259 -2.833 4.508 1.00 0.00 C ATOM 1076 CG ARG A 192 3.464 -3.454 5.196 1.00 0.00 C ATOM 1077 CD ARG A 192 4.753 -3.138 4.454 1.00 0.00 C ATOM 1078 NE ARG A 192 4.620 -3.345 3.015 1.00 0.00 N ATOM 1079 CZ ARG A 192 5.366 -2.720 2.110 1.00 0.00 C ATOM 1080 NH1 ARG A 192 6.292 -1.853 2.495 1.00 0.00 N ATOM 1081 NH2 ARG A 192 5.186 -2.961 0.818 1.00 0.00 N ATOM 0 H ARG A 192 0.161 -1.560 4.201 1.00 0.00 H new ATOM 0 HA ARG A 192 2.567 -1.020 5.622 1.00 0.00 H new ATOM 0 HB2 ARG A 192 1.350 -3.263 4.928 1.00 0.00 H new ATOM 0 HB3 ARG A 192 2.278 -3.098 3.451 1.00 0.00 H new ATOM 0 HG2 ARG A 192 3.531 -3.083 6.219 1.00 0.00 H new ATOM 0 HG3 ARG A 192 3.333 -4.534 5.256 1.00 0.00 H new ATOM 0 HD2 ARG A 192 5.038 -2.104 4.647 1.00 0.00 H new ATOM 0 HD3 ARG A 192 5.556 -3.767 4.838 1.00 0.00 H new ATOM 0 HE ARG A 192 3.916 -4.006 2.686 1.00 0.00 H new ATOM 0 HH11 ARG A 192 6.433 -1.665 3.487 1.00 0.00 H new ATOM 0 HH12 ARG A 192 6.863 -1.374 1.799 1.00 0.00 H new ATOM 0 HH21 ARG A 192 4.474 -3.627 0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 192 5.759 -2.480 0.125 1.00 0.00 H new ATOM 1095 N VAL A 193 2.685 -0.806 2.317 1.00 0.00 N ATOM 1096 CA VAL A 193 3.439 -0.234 1.209 1.00 0.00 C ATOM 1097 C VAL A 193 3.778 1.229 1.472 1.00 0.00 C ATOM 1098 O VAL A 193 4.944 1.621 1.450 1.00 0.00 O ATOM 1099 CB VAL A 193 2.659 -0.339 -0.115 1.00 0.00 C ATOM 1100 CG1 VAL A 193 3.437 0.317 -1.246 1.00 0.00 C ATOM 1101 CG2 VAL A 193 2.355 -1.793 -0.440 1.00 0.00 C ATOM 0 H VAL A 193 1.847 -1.316 2.037 1.00 0.00 H new ATOM 0 HA VAL A 193 4.362 -0.808 1.125 1.00 0.00 H new ATOM 0 HB VAL A 193 1.713 0.190 -0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 193 2.871 0.233 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 193 3.599 1.370 -1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 193 4.400 -0.181 -1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 193 1.804 -1.848 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 193 3.289 -2.348 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 193 1.755 -2.227 0.360 1.00 0.00 H new ATOM 1111 N ALA A 194 2.749 2.033 1.722 1.00 0.00 N ATOM 1112 CA ALA A 194 2.937 3.453 1.993 1.00 0.00 C ATOM 1113 C ALA A 194 3.906 3.667 3.150 1.00 0.00 C ATOM 1114 O ALA A 194 4.807 4.502 3.072 1.00 0.00 O ATOM 1115 CB ALA A 194 1.600 4.115 2.291 1.00 0.00 C ATOM 0 H ALA A 194 1.777 1.725 1.742 1.00 0.00 H new ATOM 0 HA ALA A 194 3.367 3.914 1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 194 1.756 5.175 2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.938 4.001 1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 194 1.147 3.643 3.163 1.00 0.00 H new ATOM 1121 N ALA A 195 3.715 2.909 4.225 1.00 0.00 N ATOM 1122 CA ALA A 195 4.573 3.016 5.398 1.00 0.00 C ATOM 1123 C ALA A 195 6.045 3.032 5.002 1.00 0.00 C ATOM 1124 O ALA A 195 6.791 3.934 5.384 1.00 0.00 O ATOM 1125 CB ALA A 195 4.296 1.870 6.361 1.00 0.00 C ATOM 0 H ALA A 195 2.973 2.214 4.307 1.00 0.00 H new ATOM 0 HA ALA A 195 4.348 3.958 5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 195 4.944 1.963 7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 195 3.254 1.905 6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 195 4.492 0.921 5.863 1.00 0.00 H new ATOM 1131 N TYR A 196 6.458 2.029 4.235 1.00 0.00 N ATOM 1132 CA TYR A 196 7.842 1.926 3.790 1.00 0.00 C ATOM 1133 C TYR A 196 8.245 3.153 2.976 1.00 0.00 C ATOM 1134 O TYR A 196 9.315 3.725 3.183 1.00 0.00 O ATOM 1135 CB TYR A 196 8.039 0.660 2.955 1.00 0.00 C ATOM 1136 CG TYR A 196 9.490 0.335 2.680 1.00 0.00 C ATOM 1137 CD1 TYR A 196 10.285 1.193 1.930 1.00 0.00 C ATOM 1138 CD2 TYR A 196 10.067 -0.830 3.172 1.00 0.00 C ATOM 1139 CE1 TYR A 196 11.611 0.900 1.677 1.00 0.00 C ATOM 1140 CE2 TYR A 196 11.392 -1.130 2.925 1.00 0.00 C ATOM 1141 CZ TYR A 196 12.160 -0.263 2.176 1.00 0.00 C ATOM 1142 OH TYR A 196 13.480 -0.558 1.926 1.00 0.00 O ATOM 0 H TYR A 196 5.853 1.275 3.909 1.00 0.00 H new ATOM 0 HA TYR A 196 8.478 1.873 4.674 1.00 0.00 H new ATOM 0 HB2 TYR A 196 7.579 -0.182 3.473 1.00 0.00 H new ATOM 0 HB3 TYR A 196 7.515 0.776 2.006 1.00 0.00 H new ATOM 0 HD1 TYR A 196 9.859 2.105 1.538 1.00 0.00 H new ATOM 0 HD2 TYR A 196 9.469 -1.512 3.758 1.00 0.00 H new ATOM 0 HE1 TYR A 196 12.215 1.578 1.092 1.00 0.00 H new ATOM 0 HE2 TYR A 196 11.825 -2.039 3.316 1.00 0.00 H new ATOM 0 HH TYR A 196 13.710 -1.412 2.349 1.00 0.00 H new ATOM 1152 N PHE A 197 7.379 3.550 2.050 1.00 0.00 N ATOM 1153 CA PHE A 197 7.643 4.708 1.203 1.00 0.00 C ATOM 1154 C PHE A 197 7.614 5.997 2.020 1.00 0.00 C ATOM 1155 O PHE A 197 8.144 7.024 1.599 1.00 0.00 O ATOM 1156 CB PHE A 197 6.615 4.785 0.073 1.00 0.00 C ATOM 1157 CG PHE A 197 7.013 4.013 -1.153 1.00 0.00 C ATOM 1158 CD1 PHE A 197 7.772 4.609 -2.147 1.00 0.00 C ATOM 1159 CD2 PHE A 197 6.628 2.692 -1.311 1.00 0.00 C ATOM 1160 CE1 PHE A 197 8.140 3.902 -3.276 1.00 0.00 C ATOM 1161 CE2 PHE A 197 6.994 1.979 -2.437 1.00 0.00 C ATOM 1162 CZ PHE A 197 7.750 2.585 -3.421 1.00 0.00 C ATOM 0 H PHE A 197 6.489 3.087 1.867 1.00 0.00 H new ATOM 0 HA PHE A 197 8.638 4.593 0.773 1.00 0.00 H new ATOM 0 HB2 PHE A 197 5.659 4.408 0.436 1.00 0.00 H new ATOM 0 HB3 PHE A 197 6.463 5.830 -0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 197 8.080 5.638 -2.038 1.00 0.00 H new ATOM 0 HD2 PHE A 197 6.035 2.214 -0.546 1.00 0.00 H new ATOM 0 HE1 PHE A 197 8.732 4.379 -4.044 1.00 0.00 H new ATOM 0 HE2 PHE A 197 6.689 0.949 -2.547 1.00 0.00 H new ATOM 0 HZ PHE A 197 8.036 2.030 -4.302 1.00 0.00 H new ATOM 1172 N GLY A 198 6.990 5.934 3.193 1.00 0.00 N ATOM 1173 CA GLY A 198 6.902 7.101 4.050 1.00 0.00 C ATOM 1174 C GLY A 198 5.767 8.025 3.657 1.00 0.00 C ATOM 1175 O GLY A 198 5.970 9.226 3.479 1.00 0.00 O ATOM 0 H GLY A 198 6.544 5.095 3.564 1.00 0.00 H new ATOM 0 HA2 GLY A 198 6.764 6.780 5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 198 7.843 7.649 4.010 1.00 0.00 H new ATOM 1179 N MET A 199 4.570 7.465 3.520 1.00 0.00 N ATOM 1180 CA MET A 199 3.399 8.248 3.144 1.00 0.00 C ATOM 1181 C MET A 199 2.466 8.436 4.336 1.00 0.00 C ATOM 1182 O MET A 199 2.708 7.898 5.417 1.00 0.00 O ATOM 1183 CB MET A 199 2.649 7.567 1.998 1.00 0.00 C ATOM 1184 CG MET A 199 3.552 7.133 0.854 1.00 0.00 C ATOM 1185 SD MET A 199 2.646 6.852 -0.679 1.00 0.00 S ATOM 1186 CE MET A 199 3.243 8.211 -1.680 1.00 0.00 C ATOM 0 H MET A 199 4.385 6.472 3.664 1.00 0.00 H new ATOM 0 HA MET A 199 3.740 9.229 2.813 1.00 0.00 H new ATOM 0 HB2 MET A 199 2.123 6.695 2.386 1.00 0.00 H new ATOM 0 HB3 MET A 199 1.892 8.250 1.613 1.00 0.00 H new ATOM 0 HG2 MET A 199 4.312 7.896 0.687 1.00 0.00 H new ATOM 0 HG3 MET A 199 4.074 6.219 1.136 1.00 0.00 H new ATOM 0 HE1 MET A 199 2.720 8.216 -2.636 1.00 0.00 H new ATOM 0 HE2 MET A 199 3.060 9.152 -1.162 1.00 0.00 H new ATOM 0 HE3 MET A 199 4.313 8.094 -1.852 1.00 0.00 H new ATOM 1196 N ASP A 200 1.400 9.202 4.132 1.00 0.00 N ATOM 1197 CA ASP A 200 0.430 9.460 5.190 1.00 0.00 C ATOM 1198 C ASP A 200 -0.988 9.166 4.711 1.00 0.00 C ATOM 1199 O ASP A 200 -1.599 9.975 4.012 1.00 0.00 O ATOM 1200 CB ASP A 200 0.531 10.912 5.661 1.00 0.00 C ATOM 1201 CG ASP A 200 0.040 11.094 7.084 1.00 0.00 C ATOM 1202 OD1 ASP A 200 -1.121 10.728 7.362 1.00 0.00 O ATOM 1203 OD2 ASP A 200 0.816 11.604 7.919 1.00 0.00 O ATOM 0 H ASP A 200 1.186 9.655 3.244 1.00 0.00 H new ATOM 0 HA ASP A 200 0.657 8.798 6.026 1.00 0.00 H new ATOM 0 HB2 ASP A 200 1.568 11.242 5.592 1.00 0.00 H new ATOM 0 HB3 ASP A 200 -0.051 11.549 4.995 1.00 0.00 H new ATOM 1208 N HIS A 201 -1.506 8.002 5.091 1.00 0.00 N ATOM 1209 CA HIS A 201 -2.853 7.600 4.700 1.00 0.00 C ATOM 1210 C HIS A 201 -3.880 8.069 5.726 1.00 0.00 C ATOM 1211 O HIS A 201 -3.566 8.225 6.905 1.00 0.00 O ATOM 1212 CB HIS A 201 -2.929 6.081 4.542 1.00 0.00 C ATOM 1213 CG HIS A 201 -3.306 5.366 5.803 1.00 0.00 C ATOM 1214 ND1 HIS A 201 -2.555 4.659 6.678 1.00 0.00 N flip ATOM 1215 CD2 HIS A 201 -4.596 5.327 6.288 1.00 0.00 C flip ATOM 1216 CE1 HIS A 201 -3.395 4.211 7.667 1.00 0.00 C flip ATOM 1217 NE2 HIS A 201 -4.622 4.628 7.408 1.00 0.00 N flip ATOM 0 H HIS A 201 -1.014 7.321 5.669 1.00 0.00 H new ATOM 0 HA HIS A 201 -3.082 8.069 3.743 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -3.656 5.841 3.766 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -1.963 5.711 4.199 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -5.452 5.795 5.824 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -3.101 3.615 8.518 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -5.448 4.442 7.976 1.00 0.00 H new ATOM 1226 N ASN A 202 -5.107 8.292 5.268 1.00 0.00 N ATOM 1227 CA ASN A 202 -6.180 8.745 6.147 1.00 0.00 C ATOM 1228 C ASN A 202 -7.471 7.981 5.867 1.00 0.00 C ATOM 1229 O ASN A 202 -7.686 7.488 4.760 1.00 0.00 O ATOM 1230 CB ASN A 202 -6.414 10.246 5.969 1.00 0.00 C ATOM 1231 CG ASN A 202 -5.176 11.065 6.280 1.00 0.00 C ATOM 1232 OD1 ASN A 202 -4.231 11.106 5.492 1.00 0.00 O ATOM 1233 ND2 ASN A 202 -5.176 11.722 7.434 1.00 0.00 N ATOM 0 H ASN A 202 -5.384 8.167 4.294 1.00 0.00 H new ATOM 0 HA ASN A 202 -5.879 8.551 7.177 1.00 0.00 H new ATOM 0 HB2 ASN A 202 -6.729 10.443 4.944 1.00 0.00 H new ATOM 0 HB3 ASN A 202 -7.229 10.564 6.619 1.00 0.00 H new ATOM 0 HD21 ASN A 202 -4.371 12.290 7.698 1.00 0.00 H new ATOM 0 HD22 ASN A 202 -5.981 11.659 8.057 1.00 0.00 H new ATOM 1240 N VAL A 203 -8.327 7.887 6.879 1.00 0.00 N ATOM 1241 CA VAL A 203 -9.598 7.186 6.743 1.00 0.00 C ATOM 1242 C VAL A 203 -10.695 8.125 6.254 1.00 0.00 C ATOM 1243 O VAL A 203 -10.621 9.338 6.451 1.00 0.00 O ATOM 1244 CB VAL A 203 -10.036 6.552 8.077 1.00 0.00 C ATOM 1245 CG1 VAL A 203 -9.001 5.546 8.556 1.00 0.00 C ATOM 1246 CG2 VAL A 203 -10.269 7.629 9.126 1.00 0.00 C ATOM 0 H VAL A 203 -8.163 8.288 7.803 1.00 0.00 H new ATOM 0 HA VAL A 203 -9.446 6.396 6.007 1.00 0.00 H new ATOM 0 HB VAL A 203 -10.975 6.022 7.917 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -9.328 5.109 9.499 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -8.887 4.758 7.811 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -8.045 6.049 8.701 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -10.578 7.164 10.062 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -9.347 8.188 9.285 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -11.050 8.308 8.783 1.00 0.00 H new ATOM 1256 N ASP A 204 -11.713 7.556 5.618 1.00 0.00 N ATOM 1257 CA ASP A 204 -12.827 8.343 5.102 1.00 0.00 C ATOM 1258 C ASP A 204 -13.961 8.412 6.120 1.00 0.00 C ATOM 1259 O ASP A 204 -13.951 7.698 7.123 1.00 0.00 O ATOM 1260 CB ASP A 204 -13.339 7.743 3.791 1.00 0.00 C ATOM 1261 CG ASP A 204 -13.538 6.243 3.879 1.00 0.00 C ATOM 1262 OD1 ASP A 204 -12.563 5.532 4.200 1.00 0.00 O ATOM 1263 OD2 ASP A 204 -14.670 5.780 3.628 1.00 0.00 O ATOM 0 H ASP A 204 -11.790 6.553 5.447 1.00 0.00 H new ATOM 0 HA ASP A 204 -12.468 9.355 4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 204 -14.283 8.217 3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 204 -12.632 7.966 2.992 1.00 0.00 H new ATOM 1268 N GLN A 205 -14.935 9.276 5.856 1.00 0.00 N ATOM 1269 CA GLN A 205 -16.075 9.439 6.751 1.00 0.00 C ATOM 1270 C GLN A 205 -16.526 8.093 7.308 1.00 0.00 C ATOM 1271 O GLN A 205 -16.665 7.925 8.520 1.00 0.00 O ATOM 1272 CB GLN A 205 -17.234 10.116 6.017 1.00 0.00 C ATOM 1273 CG GLN A 205 -17.681 9.372 4.769 1.00 0.00 C ATOM 1274 CD GLN A 205 -18.639 10.182 3.918 1.00 0.00 C ATOM 1275 OE1 GLN A 205 -18.373 11.340 3.596 1.00 0.00 O ATOM 1276 NE2 GLN A 205 -19.761 9.576 3.549 1.00 0.00 N ATOM 0 H GLN A 205 -14.958 9.874 5.030 1.00 0.00 H new ATOM 0 HA GLN A 205 -15.764 10.070 7.584 1.00 0.00 H new ATOM 0 HB2 GLN A 205 -18.080 10.208 6.698 1.00 0.00 H new ATOM 0 HB3 GLN A 205 -16.937 11.127 5.740 1.00 0.00 H new ATOM 0 HG2 GLN A 205 -16.806 9.109 4.174 1.00 0.00 H new ATOM 0 HG3 GLN A 205 -18.161 8.438 5.060 1.00 0.00 H new ATOM 0 HE21 GLN A 205 -19.941 8.615 3.839 1.00 0.00 H new ATOM 0 HE22 GLN A 205 -20.444 10.072 2.976 1.00 0.00 H new ATOM 1285 N THR A 206 -16.755 7.135 6.415 1.00 0.00 N ATOM 1286 CA THR A 206 -17.192 5.804 6.817 1.00 0.00 C ATOM 1287 C THR A 206 -16.016 4.959 7.291 1.00 0.00 C ATOM 1288 O THR A 206 -16.148 4.156 8.214 1.00 0.00 O ATOM 1289 CB THR A 206 -17.903 5.074 5.662 1.00 0.00 C ATOM 1290 OG1 THR A 206 -17.001 4.903 4.562 1.00 0.00 O ATOM 1291 CG2 THR A 206 -19.128 5.850 5.203 1.00 0.00 C ATOM 0 H THR A 206 -16.645 7.256 5.408 1.00 0.00 H new ATOM 0 HA THR A 206 -17.894 5.937 7.640 1.00 0.00 H new ATOM 0 HB THR A 206 -18.226 4.097 6.023 1.00 0.00 H new ATOM 0 HG1 THR A 206 -16.275 5.558 4.629 1.00 0.00 H new ATOM 0 HG21 THR A 206 -19.613 5.315 4.387 1.00 0.00 H new ATOM 0 HG22 THR A 206 -19.826 5.954 6.034 1.00 0.00 H new ATOM 0 HG23 THR A 206 -18.824 6.839 4.859 1.00 0.00 H new ATOM 1299 N GLY A 207 -14.864 5.144 6.653 1.00 0.00 N ATOM 1300 CA GLY A 207 -13.681 4.391 7.025 1.00 0.00 C ATOM 1301 C GLY A 207 -13.479 3.164 6.158 1.00 0.00 C ATOM 1302 O GLY A 207 -13.021 2.126 6.636 1.00 0.00 O ATOM 0 H GLY A 207 -14.729 5.802 5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 207 -12.805 5.035 6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 207 -13.761 4.086 8.068 1.00 0.00 H new ATOM 1306 N LYS A 208 -13.822 3.282 4.880 1.00 0.00 N ATOM 1307 CA LYS A 208 -13.676 2.174 3.943 1.00 0.00 C ATOM 1308 C LYS A 208 -12.458 2.375 3.048 1.00 0.00 C ATOM 1309 O LYS A 208 -11.543 1.552 3.035 1.00 0.00 O ATOM 1310 CB LYS A 208 -14.936 2.035 3.085 1.00 0.00 C ATOM 1311 CG LYS A 208 -16.174 1.657 3.879 1.00 0.00 C ATOM 1312 CD LYS A 208 -16.286 0.151 4.054 1.00 0.00 C ATOM 1313 CE LYS A 208 -15.539 -0.324 5.290 1.00 0.00 C ATOM 1314 NZ LYS A 208 -16.092 -1.602 5.816 1.00 0.00 N ATOM 0 H LYS A 208 -14.203 4.134 4.469 1.00 0.00 H new ATOM 0 HA LYS A 208 -13.534 1.260 4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -15.120 2.977 2.569 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -14.762 1.280 2.318 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -16.140 2.136 4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -17.062 2.032 3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -17.336 -0.130 4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -15.887 -0.349 3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -14.485 -0.457 5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -15.594 0.441 6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -15.555 -1.892 6.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -17.091 -1.469 6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -16.016 -2.339 5.087 1.00 0.00 H new ATOM 1328 N ALA A 209 -12.453 3.474 2.301 1.00 0.00 N ATOM 1329 CA ALA A 209 -11.345 3.784 1.406 1.00 0.00 C ATOM 1330 C ALA A 209 -10.429 4.842 2.012 1.00 0.00 C ATOM 1331 O ALA A 209 -10.879 5.923 2.393 1.00 0.00 O ATOM 1332 CB ALA A 209 -11.872 4.250 0.056 1.00 0.00 C ATOM 0 H ALA A 209 -13.204 4.164 2.298 1.00 0.00 H new ATOM 0 HA ALA A 209 -10.761 2.875 1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 209 -11.034 4.478 -0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 209 -12.479 3.462 -0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 209 -12.481 5.144 0.192 1.00 0.00 H new ATOM 1338 N VAL A 210 -9.141 4.524 2.098 1.00 0.00 N ATOM 1339 CA VAL A 210 -8.162 5.448 2.657 1.00 0.00 C ATOM 1340 C VAL A 210 -7.590 6.362 1.579 1.00 0.00 C ATOM 1341 O VAL A 210 -7.472 5.970 0.418 1.00 0.00 O ATOM 1342 CB VAL A 210 -7.006 4.693 3.341 1.00 0.00 C ATOM 1343 CG1 VAL A 210 -7.517 3.899 4.533 1.00 0.00 C ATOM 1344 CG2 VAL A 210 -6.302 3.783 2.346 1.00 0.00 C ATOM 0 H VAL A 210 -8.752 3.634 1.788 1.00 0.00 H new ATOM 0 HA VAL A 210 -8.684 6.051 3.400 1.00 0.00 H new ATOM 0 HB VAL A 210 -6.284 5.424 3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -6.686 3.373 5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -7.971 4.578 5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -8.261 3.176 4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -5.488 3.258 2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -7.013 3.058 1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -5.899 4.381 1.528 1.00 0.00 H new ATOM 1354 N ILE A 211 -7.237 7.581 1.972 1.00 0.00 N ATOM 1355 CA ILE A 211 -6.676 8.551 1.039 1.00 0.00 C ATOM 1356 C ILE A 211 -5.272 8.972 1.462 1.00 0.00 C ATOM 1357 O ILE A 211 -5.024 9.249 2.636 1.00 0.00 O ATOM 1358 CB ILE A 211 -7.564 9.804 0.928 1.00 0.00 C ATOM 1359 CG1 ILE A 211 -9.004 9.407 0.597 1.00 0.00 C ATOM 1360 CG2 ILE A 211 -7.014 10.751 -0.128 1.00 0.00 C ATOM 1361 CD1 ILE A 211 -9.851 9.132 1.820 1.00 0.00 C ATOM 0 H ILE A 211 -7.329 7.921 2.929 1.00 0.00 H new ATOM 0 HA ILE A 211 -6.629 8.062 0.066 1.00 0.00 H new ATOM 0 HB ILE A 211 -7.561 10.320 1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 211 -9.468 10.204 0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 211 -8.992 8.518 -0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 211 -7.652 11.632 -0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 211 -6.004 11.055 0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 211 -6.991 10.246 -1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 211 -10.859 8.856 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 211 -9.411 8.315 2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 211 -9.894 10.027 2.441 1.00 0.00 H new ATOM 1373 N ILE A 212 -4.359 9.019 0.498 1.00 0.00 N ATOM 1374 CA ILE A 212 -2.981 9.409 0.770 1.00 0.00 C ATOM 1375 C ILE A 212 -2.636 10.723 0.078 1.00 0.00 C ATOM 1376 O ILE A 212 -3.359 11.180 -0.806 1.00 0.00 O ATOM 1377 CB ILE A 212 -1.988 8.324 0.313 1.00 0.00 C ATOM 1378 CG1 ILE A 212 -1.916 8.279 -1.215 1.00 0.00 C ATOM 1379 CG2 ILE A 212 -2.393 6.967 0.869 1.00 0.00 C ATOM 1380 CD1 ILE A 212 -0.848 7.347 -1.742 1.00 0.00 C ATOM 0 H ILE A 212 -4.548 8.792 -0.478 1.00 0.00 H new ATOM 0 HA ILE A 212 -2.895 9.536 1.849 1.00 0.00 H new ATOM 0 HB ILE A 212 -0.999 8.572 0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 212 -2.884 7.968 -1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 212 -1.728 9.284 -1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 212 -1.682 6.211 0.537 1.00 0.00 H new ATOM 0 HG22 ILE A 212 -2.398 7.007 1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 212 -3.390 6.710 0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 212 -0.854 7.366 -2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 212 0.128 7.670 -1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 212 -1.047 6.333 -1.395 1.00 0.00 H new ATOM 1392 N ASN A 213 -1.523 11.325 0.486 1.00 0.00 N ATOM 1393 CA ASN A 213 -1.080 12.587 -0.096 1.00 0.00 C ATOM 1394 C ASN A 213 0.434 12.598 -0.282 1.00 0.00 C ATOM 1395 O ASN A 213 1.123 11.644 0.079 1.00 0.00 O ATOM 1396 CB ASN A 213 -1.505 13.759 0.791 1.00 0.00 C ATOM 1397 CG ASN A 213 -0.518 14.023 1.912 1.00 0.00 C ATOM 1398 OD1 ASN A 213 0.333 13.186 2.215 1.00 0.00 O ATOM 1399 ND2 ASN A 213 -0.628 15.191 2.534 1.00 0.00 N ATOM 0 H ASN A 213 -0.912 10.960 1.217 1.00 0.00 H new ATOM 0 HA ASN A 213 -1.549 12.692 -1.074 1.00 0.00 H new ATOM 0 HB2 ASN A 213 -1.605 14.656 0.180 1.00 0.00 H new ATOM 0 HB3 ASN A 213 -2.487 13.552 1.216 1.00 0.00 H new ATOM 0 HD21 ASN A 213 0.008 15.425 3.296 1.00 0.00 H new ATOM 0 HD22 ASN A 213 -1.348 15.855 2.249 1.00 0.00 H new ATOM 1406 N LYS A 214 0.948 13.686 -0.847 1.00 0.00 N ATOM 1407 CA LYS A 214 2.380 13.824 -1.080 1.00 0.00 C ATOM 1408 C LYS A 214 2.975 14.906 -0.184 1.00 0.00 C ATOM 1409 O LYS A 214 2.549 16.061 -0.221 1.00 0.00 O ATOM 1410 CB LYS A 214 2.649 14.158 -2.549 1.00 0.00 C ATOM 1411 CG LYS A 214 1.530 14.946 -3.208 1.00 0.00 C ATOM 1412 CD LYS A 214 1.740 15.062 -4.709 1.00 0.00 C ATOM 1413 CE LYS A 214 3.106 15.645 -5.037 1.00 0.00 C ATOM 1414 NZ LYS A 214 3.319 16.964 -4.380 1.00 0.00 N ATOM 0 H LYS A 214 0.393 14.485 -1.152 1.00 0.00 H new ATOM 0 HA LYS A 214 2.856 12.874 -0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 214 3.575 14.729 -2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 214 2.804 13.231 -3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 214 0.575 14.459 -3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 214 1.477 15.942 -2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 214 1.643 14.078 -5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 214 0.961 15.692 -5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 214 3.883 14.951 -4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 214 3.203 15.757 -6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 4.172 17.413 -4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 2.496 17.575 -4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 3.438 16.827 -3.356 1.00 0.00 H new ATOM 1428 N THR A 215 3.964 14.526 0.619 1.00 0.00 N ATOM 1429 CA THR A 215 4.617 15.463 1.524 1.00 0.00 C ATOM 1430 C THR A 215 6.133 15.397 1.383 1.00 0.00 C ATOM 1431 O THR A 215 6.670 14.475 0.768 1.00 0.00 O ATOM 1432 CB THR A 215 4.237 15.186 2.990 1.00 0.00 C ATOM 1433 OG1 THR A 215 4.709 13.893 3.383 1.00 0.00 O ATOM 1434 CG2 THR A 215 2.729 15.262 3.182 1.00 0.00 C ATOM 0 H THR A 215 4.330 13.575 0.661 1.00 0.00 H new ATOM 0 HA THR A 215 4.272 16.460 1.249 1.00 0.00 H new ATOM 0 HB THR A 215 4.705 15.947 3.614 1.00 0.00 H new ATOM 0 HG1 THR A 215 4.464 13.725 4.317 1.00 0.00 H new ATOM 0 HG21 THR A 215 2.485 15.063 4.225 1.00 0.00 H new ATOM 0 HG22 THR A 215 2.377 16.257 2.911 1.00 0.00 H new ATOM 0 HG23 THR A 215 2.244 14.520 2.548 1.00 0.00 H new ATOM 1442 N SER A 216 6.820 16.380 1.957 1.00 0.00 N ATOM 1443 CA SER A 216 8.276 16.434 1.892 1.00 0.00 C ATOM 1444 C SER A 216 8.890 15.113 2.344 1.00 0.00 C ATOM 1445 O SER A 216 9.791 14.582 1.697 1.00 0.00 O ATOM 1446 CB SER A 216 8.803 17.578 2.760 1.00 0.00 C ATOM 1447 OG SER A 216 10.198 17.451 2.979 1.00 0.00 O ATOM 0 H SER A 216 6.392 17.149 2.472 1.00 0.00 H new ATOM 0 HA SER A 216 8.563 16.611 0.855 1.00 0.00 H new ATOM 0 HB2 SER A 216 8.593 18.532 2.277 1.00 0.00 H new ATOM 0 HB3 SER A 216 8.280 17.583 3.717 1.00 0.00 H new ATOM 0 HG SER A 216 10.511 18.195 3.535 1.00 0.00 H new ATOM 1453 N ASN A 217 8.393 14.588 3.460 1.00 0.00 N ATOM 1454 CA ASN A 217 8.892 13.329 4.000 1.00 0.00 C ATOM 1455 C ASN A 217 8.817 12.220 2.954 1.00 0.00 C ATOM 1456 O ASN A 217 9.713 11.381 2.856 1.00 0.00 O ATOM 1457 CB ASN A 217 8.092 12.929 5.241 1.00 0.00 C ATOM 1458 CG ASN A 217 7.758 14.119 6.121 1.00 0.00 C ATOM 1459 OD1 ASN A 217 6.991 14.999 5.729 1.00 0.00 O ATOM 1460 ND2 ASN A 217 8.334 14.150 7.317 1.00 0.00 N ATOM 0 H ASN A 217 7.646 15.015 4.007 1.00 0.00 H new ATOM 0 HA ASN A 217 9.936 13.471 4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 217 7.169 12.438 4.933 1.00 0.00 H new ATOM 0 HB3 ASN A 217 8.662 12.202 5.819 1.00 0.00 H new ATOM 0 HD21 ASN A 217 8.147 14.925 7.953 1.00 0.00 H new ATOM 0 HD22 ASN A 217 8.963 13.398 7.600 1.00 0.00 H new ATOM 1467 N THR A 218 7.741 12.223 2.173 1.00 0.00 N ATOM 1468 CA THR A 218 7.547 11.219 1.135 1.00 0.00 C ATOM 1469 C THR A 218 8.699 11.230 0.137 1.00 0.00 C ATOM 1470 O THR A 218 8.748 12.073 -0.760 1.00 0.00 O ATOM 1471 CB THR A 218 6.224 11.441 0.378 1.00 0.00 C ATOM 1472 OG1 THR A 218 5.121 11.372 1.288 1.00 0.00 O ATOM 1473 CG2 THR A 218 6.048 10.403 -0.721 1.00 0.00 C ATOM 0 H THR A 218 6.990 12.910 2.240 1.00 0.00 H new ATOM 0 HA THR A 218 7.512 10.251 1.635 1.00 0.00 H new ATOM 0 HB THR A 218 6.255 12.430 -0.080 1.00 0.00 H new ATOM 0 HG1 THR A 218 5.313 10.710 1.985 1.00 0.00 H new ATOM 0 HG21 THR A 218 5.107 10.580 -1.241 1.00 0.00 H new ATOM 0 HG22 THR A 218 6.874 10.479 -1.428 1.00 0.00 H new ATOM 0 HG23 THR A 218 6.037 9.406 -0.281 1.00 0.00 H new ATOM 1481 N ARG A 219 9.625 10.290 0.297 1.00 0.00 N ATOM 1482 CA ARG A 219 10.777 10.193 -0.590 1.00 0.00 C ATOM 1483 C ARG A 219 10.893 8.790 -1.180 1.00 0.00 C ATOM 1484 O ARG A 219 10.209 7.864 -0.742 1.00 0.00 O ATOM 1485 CB ARG A 219 12.060 10.548 0.164 1.00 0.00 C ATOM 1486 CG ARG A 219 12.428 9.546 1.246 1.00 0.00 C ATOM 1487 CD ARG A 219 13.552 10.066 2.128 1.00 0.00 C ATOM 1488 NE ARG A 219 14.326 8.980 2.725 1.00 0.00 N ATOM 1489 CZ ARG A 219 15.153 9.146 3.751 1.00 0.00 C ATOM 1490 NH1 ARG A 219 15.312 10.346 4.292 1.00 0.00 N ATOM 1491 NH2 ARG A 219 15.822 8.109 4.239 1.00 0.00 N ATOM 0 H ARG A 219 9.599 9.585 1.033 1.00 0.00 H new ATOM 0 HA ARG A 219 10.635 10.901 -1.406 1.00 0.00 H new ATOM 0 HB2 ARG A 219 12.882 10.619 -0.548 1.00 0.00 H new ATOM 0 HB3 ARG A 219 11.945 11.533 0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 219 11.552 9.333 1.859 1.00 0.00 H new ATOM 0 HG3 ARG A 219 12.731 8.606 0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 219 14.213 10.700 1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 219 13.134 10.690 2.918 1.00 0.00 H new ATOM 0 HE ARG A 219 14.226 8.044 2.333 1.00 0.00 H new ATOM 0 HH11 ARG A 219 14.798 11.145 3.920 1.00 0.00 H new ATOM 0 HH12 ARG A 219 15.948 10.470 5.080 1.00 0.00 H new ATOM 0 HH21 ARG A 219 15.701 7.184 3.826 1.00 0.00 H new ATOM 0 HH22 ARG A 219 16.457 8.237 5.027 1.00 0.00 H new ATOM 1505 N ILE A 220 11.760 8.642 -2.175 1.00 0.00 N ATOM 1506 CA ILE A 220 11.965 7.353 -2.823 1.00 0.00 C ATOM 1507 C ILE A 220 12.699 6.384 -1.902 1.00 0.00 C ATOM 1508 O ILE A 220 13.729 6.710 -1.311 1.00 0.00 O ATOM 1509 CB ILE A 220 12.762 7.502 -4.133 1.00 0.00 C ATOM 1510 CG1 ILE A 220 12.071 8.499 -5.065 1.00 0.00 C ATOM 1511 CG2 ILE A 220 12.918 6.151 -4.815 1.00 0.00 C ATOM 1512 CD1 ILE A 220 12.907 8.882 -6.267 1.00 0.00 C ATOM 0 H ILE A 220 12.332 9.399 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 220 10.977 6.954 -3.051 1.00 0.00 H new ATOM 0 HB ILE A 220 13.755 7.884 -3.896 1.00 0.00 H new ATOM 0 HG12 ILE A 220 11.130 8.070 -5.409 1.00 0.00 H new ATOM 0 HG13 ILE A 220 11.824 9.399 -4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 220 13.483 6.273 -5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 220 13.449 5.468 -4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 220 11.933 5.743 -5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 220 12.355 9.591 -6.883 1.00 0.00 H new ATOM 0 HD12 ILE A 220 13.837 9.340 -5.932 1.00 0.00 H new ATOM 0 HD13 ILE A 220 13.132 7.991 -6.853 1.00 0.00 H new ATOM 1524 N PRO A 221 12.159 5.163 -1.777 1.00 0.00 N ATOM 1525 CA PRO A 221 12.748 4.120 -0.931 1.00 0.00 C ATOM 1526 C PRO A 221 14.061 3.589 -1.494 1.00 0.00 C ATOM 1527 O PRO A 221 14.245 3.527 -2.709 1.00 0.00 O ATOM 1528 CB PRO A 221 11.683 3.021 -0.930 1.00 0.00 C ATOM 1529 CG PRO A 221 10.929 3.223 -2.199 1.00 0.00 C ATOM 1530 CD PRO A 221 10.933 4.705 -2.452 1.00 0.00 C ATOM 0 HA PRO A 221 12.996 4.493 0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 221 12.136 2.030 -0.892 1.00 0.00 H new ATOM 0 HB3 PRO A 221 11.028 3.105 -0.063 1.00 0.00 H new ATOM 0 HG2 PRO A 221 11.400 2.685 -3.022 1.00 0.00 H new ATOM 0 HG3 PRO A 221 9.910 2.845 -2.112 1.00 0.00 H new ATOM 0 HD2 PRO A 221 10.953 4.931 -3.518 1.00 0.00 H new ATOM 0 HD3 PRO A 221 10.045 5.185 -2.041 1.00 0.00 H new ATOM 1538 N GLU A 222 14.971 3.207 -0.603 1.00 0.00 N ATOM 1539 CA GLU A 222 16.268 2.682 -1.014 1.00 0.00 C ATOM 1540 C GLU A 222 16.132 1.807 -2.257 1.00 0.00 C ATOM 1541 O GLU A 222 16.855 1.986 -3.236 1.00 0.00 O ATOM 1542 CB GLU A 222 16.900 1.876 0.123 1.00 0.00 C ATOM 1543 CG GLU A 222 18.155 1.126 -0.287 1.00 0.00 C ATOM 1544 CD GLU A 222 19.380 2.019 -0.335 1.00 0.00 C ATOM 1545 OE1 GLU A 222 19.219 3.231 -0.590 1.00 0.00 O ATOM 1546 OE2 GLU A 222 20.497 1.507 -0.117 1.00 0.00 O ATOM 0 H GLU A 222 14.834 3.251 0.407 1.00 0.00 H new ATOM 0 HA GLU A 222 16.914 3.527 -1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 222 17.142 2.551 0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 222 16.168 1.163 0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 222 18.332 0.311 0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 222 18.000 0.675 -1.267 1.00 0.00 H new ATOM 1553 N GLN A 223 15.199 0.861 -2.208 1.00 0.00 N ATOM 1554 CA GLN A 223 14.969 -0.042 -3.330 1.00 0.00 C ATOM 1555 C GLN A 223 13.485 -0.362 -3.475 1.00 0.00 C ATOM 1556 O GLN A 223 12.727 -0.288 -2.508 1.00 0.00 O ATOM 1557 CB GLN A 223 15.766 -1.335 -3.142 1.00 0.00 C ATOM 1558 CG GLN A 223 15.622 -1.942 -1.757 1.00 0.00 C ATOM 1559 CD GLN A 223 16.544 -3.126 -1.540 1.00 0.00 C ATOM 1560 OE1 GLN A 223 17.440 -3.084 -0.696 1.00 0.00 O ATOM 1561 NE2 GLN A 223 16.330 -4.191 -2.304 1.00 0.00 N ATOM 0 H GLN A 223 14.591 0.700 -1.405 1.00 0.00 H new ATOM 0 HA GLN A 223 15.305 0.455 -4.240 1.00 0.00 H new ATOM 0 HB2 GLN A 223 15.441 -2.064 -3.885 1.00 0.00 H new ATOM 0 HB3 GLN A 223 16.820 -1.133 -3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 223 15.833 -1.180 -1.007 1.00 0.00 H new ATOM 0 HG3 GLN A 223 14.590 -2.258 -1.609 1.00 0.00 H new ATOM 0 HE21 GLN A 223 15.576 -4.183 -2.991 1.00 0.00 H new ATOM 0 HE22 GLN A 223 16.920 -5.017 -2.204 1.00 0.00 H new ATOM 1570 N ARG A 224 13.078 -0.717 -4.689 1.00 0.00 N ATOM 1571 CA ARG A 224 11.684 -1.047 -4.961 1.00 0.00 C ATOM 1572 C ARG A 224 11.511 -2.549 -5.171 1.00 0.00 C ATOM 1573 O ARG A 224 12.475 -3.311 -5.097 1.00 0.00 O ATOM 1574 CB ARG A 224 11.190 -0.289 -6.194 1.00 0.00 C ATOM 1575 CG ARG A 224 11.947 -0.634 -7.466 1.00 0.00 C ATOM 1576 CD ARG A 224 11.751 0.427 -8.537 1.00 0.00 C ATOM 1577 NE ARG A 224 12.541 0.150 -9.734 1.00 0.00 N ATOM 1578 CZ ARG A 224 12.288 0.687 -10.922 1.00 0.00 C ATOM 1579 NH1 ARG A 224 11.273 1.526 -11.072 1.00 0.00 N ATOM 1580 NH2 ARG A 224 13.053 0.386 -11.964 1.00 0.00 N ATOM 0 H ARG A 224 13.693 -0.784 -5.500 1.00 0.00 H new ATOM 0 HA ARG A 224 11.091 -0.748 -4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 224 10.132 -0.504 -6.342 1.00 0.00 H new ATOM 0 HB3 ARG A 224 11.275 0.782 -6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 224 13.009 -0.735 -7.242 1.00 0.00 H new ATOM 0 HG3 ARG A 224 11.607 -1.599 -7.842 1.00 0.00 H new ATOM 0 HD2 ARG A 224 10.696 0.482 -8.804 1.00 0.00 H new ATOM 0 HD3 ARG A 224 12.029 1.402 -8.137 1.00 0.00 H new ATOM 0 HE ARG A 224 13.330 -0.491 -9.653 1.00 0.00 H new ATOM 0 HH11 ARG A 224 10.683 1.761 -10.274 1.00 0.00 H new ATOM 0 HH12 ARG A 224 11.082 1.937 -11.986 1.00 0.00 H new ATOM 0 HH21 ARG A 224 13.836 -0.258 -11.853 1.00 0.00 H new ATOM 0 HH22 ARG A 224 12.858 0.799 -12.876 1.00 0.00 H new ATOM 1594 N PHE A 225 10.277 -2.966 -5.433 1.00 0.00 N ATOM 1595 CA PHE A 225 9.978 -4.376 -5.653 1.00 0.00 C ATOM 1596 C PHE A 225 10.237 -4.768 -7.104 1.00 0.00 C ATOM 1597 O PHE A 225 10.557 -5.920 -7.400 1.00 0.00 O ATOM 1598 CB PHE A 225 8.523 -4.674 -5.285 1.00 0.00 C ATOM 1599 CG PHE A 225 7.987 -3.789 -4.196 1.00 0.00 C ATOM 1600 CD1 PHE A 225 8.826 -3.295 -3.210 1.00 0.00 C ATOM 1601 CD2 PHE A 225 6.644 -3.450 -4.158 1.00 0.00 C ATOM 1602 CE1 PHE A 225 8.336 -2.480 -2.207 1.00 0.00 C ATOM 1603 CE2 PHE A 225 6.148 -2.635 -3.158 1.00 0.00 C ATOM 1604 CZ PHE A 225 6.995 -2.151 -2.181 1.00 0.00 C ATOM 0 H PHE A 225 9.468 -2.348 -5.498 1.00 0.00 H new ATOM 0 HA PHE A 225 10.636 -4.964 -5.013 1.00 0.00 H new ATOM 0 HB2 PHE A 225 7.901 -4.561 -6.173 1.00 0.00 H new ATOM 0 HB3 PHE A 225 8.442 -5.714 -4.970 1.00 0.00 H new ATOM 0 HD1 PHE A 225 9.875 -3.550 -3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 225 5.977 -3.827 -4.919 1.00 0.00 H new ATOM 0 HE1 PHE A 225 9.001 -2.101 -1.445 1.00 0.00 H new ATOM 0 HE2 PHE A 225 5.099 -2.377 -3.141 1.00 0.00 H new ATOM 0 HZ PHE A 225 6.609 -1.516 -1.397 1.00 0.00 H new ATOM 1614 N SER A 226 10.096 -3.802 -8.006 1.00 0.00 N ATOM 1615 CA SER A 226 10.311 -4.046 -9.428 1.00 0.00 C ATOM 1616 C SER A 226 11.658 -4.720 -9.666 1.00 0.00 C ATOM 1617 O SER A 226 11.734 -5.770 -10.304 1.00 0.00 O ATOM 1618 CB SER A 226 10.241 -2.732 -10.208 1.00 0.00 C ATOM 1619 OG SER A 226 10.439 -2.951 -11.594 1.00 0.00 O ATOM 0 H SER A 226 9.834 -2.843 -7.778 1.00 0.00 H new ATOM 0 HA SER A 226 9.524 -4.712 -9.780 1.00 0.00 H new ATOM 0 HB2 SER A 226 9.272 -2.260 -10.046 1.00 0.00 H new ATOM 0 HB3 SER A 226 10.998 -2.042 -9.834 1.00 0.00 H new ATOM 0 HG SER A 226 10.388 -2.096 -12.071 1.00 0.00 H new ATOM 1625 N GLU A 227 12.719 -4.109 -9.148 1.00 0.00 N ATOM 1626 CA GLU A 227 14.064 -4.650 -9.305 1.00 0.00 C ATOM 1627 C GLU A 227 14.069 -6.163 -9.102 1.00 0.00 C ATOM 1628 O GLU A 227 14.739 -6.896 -9.830 1.00 0.00 O ATOM 1629 CB GLU A 227 15.023 -3.989 -8.313 1.00 0.00 C ATOM 1630 CG GLU A 227 14.435 -3.812 -6.923 1.00 0.00 C ATOM 1631 CD GLU A 227 15.489 -3.502 -5.878 1.00 0.00 C ATOM 1632 OE1 GLU A 227 16.091 -2.411 -5.947 1.00 0.00 O ATOM 1633 OE2 GLU A 227 15.711 -4.353 -4.991 1.00 0.00 O ATOM 0 H GLU A 227 12.673 -3.240 -8.616 1.00 0.00 H new ATOM 0 HA GLU A 227 14.398 -4.435 -10.320 1.00 0.00 H new ATOM 0 HB2 GLU A 227 15.929 -4.590 -8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 227 15.318 -3.014 -8.700 1.00 0.00 H new ATOM 0 HG2 GLU A 227 13.701 -3.006 -6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 227 13.904 -4.720 -6.639 1.00 0.00 H new