USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 532 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 193 ASN : amide:sc= -0.856 K(o=-2.5,f=-4.1) USER MOD Set 1.2: A 201 MET CE :methyl 147:sc= -1.67 (180deg=-3.91) USER MOD Set 2.1: A 172 TYR OH : rot -132:sc= 1.17 USER MOD Set 2.2: A 215 ASN : amide:sc= 0.952 K(o=2.1,f=1) USER MOD Set 3.1: A 165 HIS : no HD1:sc= -1.88! C(o=-1.2!,f=-3.6!) USER MOD Set 3.2: A 208 LYS NZ :NH3+ -155:sc= 0.68 (180deg=-0.353!) USER MOD Single : A 150 SER OG : rot 86:sc= 1.16 USER MOD Single : A 151 SER OG : rot 99:sc= 1.21 USER MOD Single : A 153 GLN : amide:sc= -0.0197 X(o=-0.02,f=0.43) USER MOD Single : A 160 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot -168:sc= 1.29 USER MOD Single : A 174 THR OG1 : rot -82:sc= 1.25 USER MOD Single : A 176 THR OG1 : rot 180:sc= 0.0646 USER MOD Single : A 177 ASN : amide:sc= 0.093 K(o=0.093,f=-8.9!) USER MOD Single : A 178 TYR OH : rot 180:sc= 0 USER MOD Single : A 179 LYS NZ :NH3+ -164:sc= -0.0507 (180deg=-0.247) USER MOD Single : A 182 SER OG : rot -79:sc= 1.17 USER MOD Single : A 183 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 192 LYS NZ :NH3+ -164:sc= 1.28 (180deg=1.04) USER MOD Single : A 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 200 LYS NZ :NH3+ 164:sc= 0.00378 (180deg=-0.276) USER MOD Single : A 202 MET CE :methyl -169:sc= -0.0907 (180deg=-0.401) USER MOD Single : A 203 MET CE :methyl 167:sc= -0.187 (180deg=-0.542) USER MOD Single : A 213 SER OG : rot -85:sc= 2.02 USER MOD Single : A 214 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 216 ASN : amide:sc= -0.584 K(o=-0.58,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 145 N SER A 150 5.676 -7.757 0.449 1.00 0.00 N ATOM 146 CA SER A 150 4.946 -6.735 1.148 1.00 0.00 C ATOM 147 C SER A 150 5.587 -5.389 0.821 1.00 0.00 C ATOM 148 O SER A 150 6.757 -5.339 0.375 1.00 0.00 O ATOM 149 CB SER A 150 5.018 -7.021 2.674 1.00 0.00 C ATOM 150 OG SER A 150 4.364 -6.028 3.456 1.00 0.00 O ATOM 0 HA SER A 150 3.899 -6.721 0.846 1.00 0.00 H new ATOM 0 HB2 SER A 150 4.567 -7.992 2.878 1.00 0.00 H new ATOM 0 HB3 SER A 150 6.063 -7.085 2.977 1.00 0.00 H new ATOM 0 HG SER A 150 3.410 -6.243 3.526 1.00 0.00 H new ATOM 156 N SER A 151 4.857 -4.321 1.041 1.00 0.00 N ATOM 157 CA SER A 151 5.339 -2.987 0.782 1.00 0.00 C ATOM 158 C SER A 151 6.582 -2.688 1.625 1.00 0.00 C ATOM 159 O SER A 151 7.592 -2.186 1.111 1.00 0.00 O ATOM 160 CB SER A 151 4.247 -2.011 1.107 1.00 0.00 C ATOM 161 OG SER A 151 3.063 -2.365 0.437 1.00 0.00 O ATOM 0 H SER A 151 3.906 -4.355 1.407 1.00 0.00 H new ATOM 0 HA SER A 151 5.617 -2.899 -0.268 1.00 0.00 H new ATOM 0 HB2 SER A 151 4.073 -1.994 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 151 4.550 -1.005 0.817 1.00 0.00 H new ATOM 0 HG SER A 151 2.472 -2.850 1.051 1.00 0.00 H new ATOM 167 N ALA A 152 6.516 -3.047 2.908 1.00 0.00 N ATOM 168 CA ALA A 152 7.629 -2.871 3.825 1.00 0.00 C ATOM 169 C ALA A 152 8.808 -3.677 3.361 1.00 0.00 C ATOM 170 O ALA A 152 9.914 -3.197 3.346 1.00 0.00 O ATOM 171 CB ALA A 152 7.243 -3.310 5.217 1.00 0.00 C ATOM 0 H ALA A 152 5.689 -3.466 3.334 1.00 0.00 H new ATOM 0 HA ALA A 152 7.893 -1.814 3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 152 8.089 -3.171 5.890 1.00 0.00 H new ATOM 0 HB2 ALA A 152 6.400 -2.714 5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 152 6.961 -4.363 5.201 1.00 0.00 H new ATOM 177 N GLN A 153 8.528 -4.885 2.924 1.00 0.00 N ATOM 178 CA GLN A 153 9.531 -5.822 2.452 1.00 0.00 C ATOM 179 C GLN A 153 10.314 -5.242 1.248 1.00 0.00 C ATOM 180 O GLN A 153 11.525 -5.437 1.131 1.00 0.00 O ATOM 181 CB GLN A 153 8.834 -7.142 2.128 1.00 0.00 C ATOM 182 CG GLN A 153 9.721 -8.258 1.643 1.00 0.00 C ATOM 183 CD GLN A 153 8.965 -9.571 1.547 1.00 0.00 C ATOM 184 OE1 GLN A 153 7.758 -9.589 1.330 1.00 0.00 O ATOM 185 NE2 GLN A 153 9.659 -10.668 1.700 1.00 0.00 N ATOM 0 H GLN A 153 7.578 -5.254 2.885 1.00 0.00 H new ATOM 0 HA GLN A 153 10.278 -6.003 3.225 1.00 0.00 H new ATOM 0 HB2 GLN A 153 8.312 -7.483 3.022 1.00 0.00 H new ATOM 0 HB3 GLN A 153 8.075 -6.952 1.369 1.00 0.00 H new ATOM 0 HG2 GLN A 153 10.129 -8.000 0.666 1.00 0.00 H new ATOM 0 HG3 GLN A 153 10.566 -8.373 2.322 1.00 0.00 H new ATOM 0 HE21 GLN A 153 10.662 -10.616 1.879 1.00 0.00 H new ATOM 0 HE22 GLN A 153 9.198 -11.576 1.640 1.00 0.00 H new ATOM 194 N LEU A 154 9.620 -4.524 0.382 1.00 0.00 N ATOM 195 CA LEU A 154 10.255 -3.835 -0.749 1.00 0.00 C ATOM 196 C LEU A 154 11.042 -2.610 -0.255 1.00 0.00 C ATOM 197 O LEU A 154 12.230 -2.459 -0.530 1.00 0.00 O ATOM 198 CB LEU A 154 9.190 -3.389 -1.774 1.00 0.00 C ATOM 199 CG LEU A 154 8.364 -4.501 -2.415 1.00 0.00 C ATOM 200 CD1 LEU A 154 7.280 -3.909 -3.289 1.00 0.00 C ATOM 201 CD2 LEU A 154 9.257 -5.418 -3.236 1.00 0.00 C ATOM 0 H LEU A 154 8.609 -4.397 0.434 1.00 0.00 H new ATOM 0 HA LEU A 154 10.943 -4.530 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 154 8.508 -2.697 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 154 9.690 -2.833 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 154 7.897 -5.087 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 154 6.698 -4.712 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 154 6.625 -3.283 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 154 7.735 -3.305 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 154 8.653 -6.206 -3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 154 9.746 -4.842 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 154 10.012 -5.865 -2.589 1.00 0.00 H new ATOM 213 N LEU A 155 10.366 -1.776 0.520 1.00 0.00 N ATOM 214 CA LEU A 155 10.884 -0.491 1.005 1.00 0.00 C ATOM 215 C LEU A 155 12.130 -0.688 1.899 1.00 0.00 C ATOM 216 O LEU A 155 13.075 0.122 1.884 1.00 0.00 O ATOM 217 CB LEU A 155 9.748 0.211 1.778 1.00 0.00 C ATOM 218 CG LEU A 155 9.850 1.704 2.026 1.00 0.00 C ATOM 219 CD1 LEU A 155 10.011 2.453 0.715 1.00 0.00 C ATOM 220 CD2 LEU A 155 8.588 2.171 2.721 1.00 0.00 C ATOM 0 H LEU A 155 9.418 -1.972 0.841 1.00 0.00 H new ATOM 0 HA LEU A 155 11.202 0.125 0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 155 8.819 0.028 1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 155 9.655 -0.279 2.747 1.00 0.00 H new ATOM 0 HG LEU A 155 10.722 1.904 2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 155 10.082 3.522 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 155 10.917 2.116 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 155 9.149 2.259 0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 155 8.650 3.244 2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 155 7.725 1.960 2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 155 8.480 1.646 3.670 1.00 0.00 H new ATOM 232 N GLU A 156 12.123 -1.782 2.635 1.00 0.00 N ATOM 233 CA GLU A 156 13.187 -2.172 3.550 1.00 0.00 C ATOM 234 C GLU A 156 14.497 -2.381 2.810 1.00 0.00 C ATOM 235 O GLU A 156 15.573 -1.992 3.286 1.00 0.00 O ATOM 236 CB GLU A 156 12.787 -3.476 4.226 1.00 0.00 C ATOM 237 CG GLU A 156 13.740 -3.989 5.274 1.00 0.00 C ATOM 238 CD GLU A 156 13.284 -5.301 5.832 1.00 0.00 C ATOM 239 OE1 GLU A 156 12.386 -5.315 6.700 1.00 0.00 O1- ATOM 240 OE2 GLU A 156 13.788 -6.356 5.399 1.00 0.00 O ATOM 0 H GLU A 156 11.352 -2.449 2.614 1.00 0.00 H new ATOM 0 HA GLU A 156 13.330 -1.378 4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 156 11.809 -3.339 4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 156 12.674 -4.242 3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 156 14.734 -4.102 4.840 1.00 0.00 H new ATOM 0 HG3 GLU A 156 13.825 -3.259 6.079 1.00 0.00 H new ATOM 247 N ASP A 157 14.397 -2.939 1.620 1.00 0.00 N ATOM 248 CA ASP A 157 15.572 -3.293 0.839 1.00 0.00 C ATOM 249 C ASP A 157 16.288 -2.053 0.352 1.00 0.00 C ATOM 250 O ASP A 157 17.504 -2.048 0.156 1.00 0.00 O ATOM 251 CB ASP A 157 15.189 -4.173 -0.347 1.00 0.00 C ATOM 252 CG ASP A 157 16.400 -4.717 -1.068 1.00 0.00 C ATOM 253 OD1 ASP A 157 17.040 -5.648 -0.536 1.00 0.00 O1- ATOM 254 OD2 ASP A 157 16.742 -4.246 -2.175 1.00 0.00 O ATOM 0 H ASP A 157 13.510 -3.159 1.168 1.00 0.00 H new ATOM 0 HA ASP A 157 16.246 -3.853 1.487 1.00 0.00 H new ATOM 0 HB2 ASP A 157 14.573 -5.002 0.002 1.00 0.00 H new ATOM 0 HB3 ASP A 157 14.582 -3.596 -1.044 1.00 0.00 H new ATOM 259 N TRP A 158 15.547 -0.982 0.227 1.00 0.00 N ATOM 260 CA TRP A 158 16.091 0.256 -0.290 1.00 0.00 C ATOM 261 C TRP A 158 16.532 1.157 0.846 1.00 0.00 C ATOM 262 O TRP A 158 16.881 2.323 0.630 1.00 0.00 O ATOM 263 CB TRP A 158 15.064 0.973 -1.164 1.00 0.00 C ATOM 264 CG TRP A 158 14.445 0.084 -2.194 1.00 0.00 C ATOM 265 CD1 TRP A 158 15.071 -0.853 -2.964 1.00 0.00 C ATOM 266 CD2 TRP A 158 13.079 0.063 -2.575 1.00 0.00 C ATOM 267 NE1 TRP A 158 14.162 -1.470 -3.773 1.00 0.00 N ATOM 268 CE2 TRP A 158 12.933 -0.924 -3.558 1.00 0.00 C ATOM 269 CE3 TRP A 158 11.961 0.778 -2.172 1.00 0.00 C ATOM 270 CZ2 TRP A 158 11.711 -1.217 -4.141 1.00 0.00 C ATOM 271 CZ3 TRP A 158 10.752 0.495 -2.755 1.00 0.00 C ATOM 272 CH2 TRP A 158 10.637 -0.495 -3.730 1.00 0.00 C ATOM 0 H TRP A 158 14.559 -0.939 0.477 1.00 0.00 H new ATOM 0 HA TRP A 158 16.960 0.016 -0.903 1.00 0.00 H new ATOM 0 HB2 TRP A 158 14.279 1.384 -0.529 1.00 0.00 H new ATOM 0 HB3 TRP A 158 15.545 1.815 -1.662 1.00 0.00 H new ATOM 0 HD1 TRP A 158 16.128 -1.073 -2.937 1.00 0.00 H new ATOM 0 HE1 TRP A 158 14.370 -2.220 -4.433 1.00 0.00 H new ATOM 0 HE3 TRP A 158 12.041 1.543 -1.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 158 11.616 -1.988 -4.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 158 9.875 1.048 -2.454 1.00 0.00 H new ATOM 0 HH2 TRP A 158 9.670 -0.692 -4.169 1.00 0.00 H new ATOM 283 N GLY A 159 16.512 0.616 2.054 1.00 0.00 N ATOM 284 CA GLY A 159 16.926 1.363 3.213 1.00 0.00 C ATOM 285 C GLY A 159 15.974 2.484 3.522 1.00 0.00 C ATOM 286 O GLY A 159 16.392 3.611 3.819 1.00 0.00 O ATOM 0 H GLY A 159 16.212 -0.339 2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 159 16.992 0.695 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 159 17.924 1.769 3.047 1.00 0.00 H new ATOM 290 N MET A 160 14.696 2.203 3.415 1.00 0.00 N ATOM 291 CA MET A 160 13.689 3.197 3.681 1.00 0.00 C ATOM 292 C MET A 160 12.759 2.743 4.784 1.00 0.00 C ATOM 293 O MET A 160 12.746 1.567 5.156 1.00 0.00 O ATOM 294 CB MET A 160 12.902 3.554 2.417 1.00 0.00 C ATOM 295 CG MET A 160 13.711 4.260 1.340 1.00 0.00 C ATOM 296 SD MET A 160 14.384 5.841 1.898 1.00 0.00 S ATOM 297 CE MET A 160 15.246 6.366 0.415 1.00 0.00 C ATOM 0 H MET A 160 14.331 1.290 3.144 1.00 0.00 H new ATOM 0 HA MET A 160 14.201 4.099 4.016 1.00 0.00 H new ATOM 0 HB2 MET A 160 12.483 2.640 1.996 1.00 0.00 H new ATOM 0 HB3 MET A 160 12.062 4.190 2.696 1.00 0.00 H new ATOM 0 HG2 MET A 160 14.529 3.613 1.023 1.00 0.00 H new ATOM 0 HG3 MET A 160 13.080 4.426 0.467 1.00 0.00 H new ATOM 0 HE1 MET A 160 15.720 7.332 0.592 1.00 0.00 H new ATOM 0 HE2 MET A 160 16.008 5.630 0.157 1.00 0.00 H new ATOM 0 HE3 MET A 160 14.535 6.456 -0.406 1.00 0.00 H new ATOM 307 N GLU A 161 11.993 3.668 5.289 1.00 0.00 N ATOM 308 CA GLU A 161 11.065 3.429 6.375 1.00 0.00 C ATOM 309 C GLU A 161 9.668 3.511 5.827 1.00 0.00 C ATOM 310 O GLU A 161 9.411 4.333 4.934 1.00 0.00 O ATOM 311 CB GLU A 161 11.189 4.529 7.428 1.00 0.00 C ATOM 312 CG GLU A 161 12.513 4.644 8.147 1.00 0.00 C ATOM 313 CD GLU A 161 12.534 5.865 9.046 1.00 0.00 C ATOM 314 OE1 GLU A 161 11.812 5.893 10.073 1.00 0.00 O1- ATOM 315 OE2 GLU A 161 13.226 6.844 8.720 1.00 0.00 O ATOM 0 H GLU A 161 11.991 4.632 4.955 1.00 0.00 H new ATOM 0 HA GLU A 161 11.280 2.456 6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 161 10.981 5.484 6.946 1.00 0.00 H new ATOM 0 HB3 GLU A 161 10.410 4.373 8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 161 12.689 3.747 8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 161 13.322 4.708 7.420 1.00 0.00 H new ATOM 322 N ASP A 162 8.782 2.686 6.329 1.00 0.00 N ATOM 323 CA ASP A 162 7.375 2.768 5.956 1.00 0.00 C ATOM 324 C ASP A 162 6.706 3.673 7.006 1.00 0.00 C ATOM 325 O ASP A 162 7.395 4.234 7.872 1.00 0.00 O ATOM 326 CB ASP A 162 6.736 1.353 5.932 1.00 0.00 C ATOM 327 CG ASP A 162 5.396 1.248 5.167 1.00 0.00 C ATOM 328 OD1 ASP A 162 4.362 1.815 5.596 1.00 0.00 O ATOM 329 OD2 ASP A 162 5.347 0.546 4.147 1.00 0.00 O1- ATOM 0 H ASP A 162 9.002 1.947 6.997 1.00 0.00 H new ATOM 0 HA ASP A 162 7.246 3.180 4.955 1.00 0.00 H new ATOM 0 HB2 ASP A 162 7.447 0.658 5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 162 6.576 1.027 6.960 1.00 0.00 H new ATOM 334 N ILE A 163 5.425 3.800 6.968 1.00 0.00 N ATOM 335 CA ILE A 163 4.720 4.689 7.869 1.00 0.00 C ATOM 336 C ILE A 163 4.103 3.823 8.967 1.00 0.00 C ATOM 337 O ILE A 163 3.921 2.622 8.779 1.00 0.00 O ATOM 338 CB ILE A 163 3.568 5.447 7.100 1.00 0.00 C ATOM 339 CG1 ILE A 163 4.097 6.094 5.821 1.00 0.00 C ATOM 340 CG2 ILE A 163 2.872 6.510 7.966 1.00 0.00 C ATOM 341 CD1 ILE A 163 5.188 7.097 6.061 1.00 0.00 C ATOM 0 H ILE A 163 4.823 3.297 6.317 1.00 0.00 H new ATOM 0 HA ILE A 163 5.404 5.430 8.282 1.00 0.00 H new ATOM 0 HB ILE A 163 2.825 4.691 6.846 1.00 0.00 H new ATOM 0 HG12 ILE A 163 4.471 5.314 5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 163 3.272 6.584 5.304 1.00 0.00 H new ATOM 0 HG21 ILE A 163 2.090 6.998 7.385 1.00 0.00 H new ATOM 0 HG22 ILE A 163 2.430 6.034 8.841 1.00 0.00 H new ATOM 0 HG23 ILE A 163 3.602 7.253 8.287 1.00 0.00 H new ATOM 0 HD11 ILE A 163 5.514 7.515 5.109 1.00 0.00 H new ATOM 0 HD12 ILE A 163 4.813 7.897 6.699 1.00 0.00 H new ATOM 0 HD13 ILE A 163 6.030 6.608 6.550 1.00 0.00 H new ATOM 353 N ASP A 164 3.752 4.428 10.087 1.00 0.00 N ATOM 354 CA ASP A 164 3.080 3.724 11.202 1.00 0.00 C ATOM 355 C ASP A 164 1.587 3.630 10.909 1.00 0.00 C ATOM 356 O ASP A 164 0.787 3.259 11.764 1.00 0.00 O ATOM 357 CB ASP A 164 3.249 4.501 12.516 1.00 0.00 C ATOM 358 CG ASP A 164 4.675 4.726 12.918 1.00 0.00 C ATOM 359 OD1 ASP A 164 5.250 3.874 13.595 1.00 0.00 O1- ATOM 360 OD2 ASP A 164 5.239 5.802 12.587 1.00 0.00 O ATOM 0 H ASP A 164 3.917 5.419 10.265 1.00 0.00 H new ATOM 0 HA ASP A 164 3.527 2.734 11.299 1.00 0.00 H new ATOM 0 HB2 ASP A 164 2.754 5.467 12.420 1.00 0.00 H new ATOM 0 HB3 ASP A 164 2.740 3.960 13.313 1.00 0.00 H new ATOM 365 N HIS A 165 1.244 3.939 9.689 1.00 0.00 N ATOM 366 CA HIS A 165 -0.118 4.035 9.242 1.00 0.00 C ATOM 367 C HIS A 165 -0.672 2.647 8.971 1.00 0.00 C ATOM 368 O HIS A 165 0.065 1.739 8.567 1.00 0.00 O ATOM 369 CB HIS A 165 -0.172 4.937 7.964 1.00 0.00 C ATOM 370 CG HIS A 165 -0.108 4.246 6.598 1.00 0.00 C ATOM 371 ND1 HIS A 165 1.009 3.608 6.081 1.00 0.00 N ATOM 372 CD2 HIS A 165 -1.059 4.145 5.633 1.00 0.00 C ATOM 373 CE1 HIS A 165 0.706 3.174 4.860 1.00 0.00 C ATOM 374 NE2 HIS A 165 -0.530 3.470 4.539 1.00 0.00 N ATOM 0 H HIS A 165 1.925 4.137 8.956 1.00 0.00 H new ATOM 0 HA HIS A 165 -0.738 4.492 10.014 1.00 0.00 H new ATOM 0 HB2 HIS A 165 -1.094 5.518 8.003 1.00 0.00 H new ATOM 0 HB3 HIS A 165 0.654 5.646 8.020 1.00 0.00 H new ATOM 0 HD2 HIS A 165 -2.066 4.528 5.705 1.00 0.00 H new ATOM 0 HE1 HIS A 165 1.392 2.645 4.215 1.00 0.00 H new ATOM 0 HE2 HIS A 165 -1.007 3.250 3.664 1.00 0.00 H new ATOM 382 N VAL A 166 -1.929 2.489 9.195 1.00 0.00 N ATOM 383 CA VAL A 166 -2.593 1.258 8.920 1.00 0.00 C ATOM 384 C VAL A 166 -3.915 1.583 8.282 1.00 0.00 C ATOM 385 O VAL A 166 -4.592 2.551 8.693 1.00 0.00 O ATOM 386 CB VAL A 166 -2.733 0.353 10.192 1.00 0.00 C ATOM 387 CG1 VAL A 166 -3.563 1.007 11.288 1.00 0.00 C ATOM 388 CG2 VAL A 166 -3.277 -1.027 9.841 1.00 0.00 C ATOM 0 H VAL A 166 -2.534 3.216 9.578 1.00 0.00 H new ATOM 0 HA VAL A 166 -1.996 0.661 8.231 1.00 0.00 H new ATOM 0 HB VAL A 166 -1.726 0.227 10.591 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -3.627 0.336 12.145 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -3.092 1.941 11.593 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -4.565 1.212 10.912 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -3.361 -1.627 10.747 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -4.260 -0.925 9.382 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -2.600 -1.518 9.142 1.00 0.00 H new ATOM 398 N PHE A 167 -4.231 0.864 7.231 1.00 0.00 N ATOM 399 CA PHE A 167 -5.441 1.090 6.489 1.00 0.00 C ATOM 400 C PHE A 167 -6.652 0.877 7.351 1.00 0.00 C ATOM 401 O PHE A 167 -6.879 -0.209 7.898 1.00 0.00 O ATOM 402 CB PHE A 167 -5.492 0.249 5.221 1.00 0.00 C ATOM 403 CG PHE A 167 -4.376 0.564 4.274 1.00 0.00 C ATOM 404 CD1 PHE A 167 -4.301 1.808 3.673 1.00 0.00 C ATOM 405 CD2 PHE A 167 -3.395 -0.371 3.996 1.00 0.00 C ATOM 406 CE1 PHE A 167 -3.276 2.114 2.810 1.00 0.00 C ATOM 407 CE2 PHE A 167 -2.363 -0.071 3.132 1.00 0.00 C ATOM 408 CZ PHE A 167 -2.305 1.176 2.537 1.00 0.00 C ATOM 0 H PHE A 167 -3.653 0.106 6.869 1.00 0.00 H new ATOM 0 HA PHE A 167 -5.443 2.133 6.174 1.00 0.00 H new ATOM 0 HB2 PHE A 167 -5.449 -0.807 5.488 1.00 0.00 H new ATOM 0 HB3 PHE A 167 -6.446 0.413 4.719 1.00 0.00 H new ATOM 0 HD1 PHE A 167 -5.058 2.549 3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 167 -3.438 -1.345 4.460 1.00 0.00 H new ATOM 0 HE1 PHE A 167 -3.232 3.089 2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 167 -1.602 -0.808 2.921 1.00 0.00 H new ATOM 0 HZ PHE A 167 -1.499 1.414 1.859 1.00 0.00 H new ATOM 418 N SER A 168 -7.373 1.928 7.499 1.00 0.00 N ATOM 419 CA SER A 168 -8.536 1.981 8.312 1.00 0.00 C ATOM 420 C SER A 168 -9.759 1.622 7.466 1.00 0.00 C ATOM 421 O SER A 168 -9.670 1.534 6.228 1.00 0.00 O ATOM 422 CB SER A 168 -8.654 3.425 8.877 1.00 0.00 C ATOM 423 OG SER A 168 -9.800 3.605 9.712 1.00 0.00 O ATOM 0 H SER A 168 -7.161 2.813 7.038 1.00 0.00 H new ATOM 0 HA SER A 168 -8.475 1.271 9.137 1.00 0.00 H new ATOM 0 HB2 SER A 168 -7.755 3.661 9.447 1.00 0.00 H new ATOM 0 HB3 SER A 168 -8.701 4.131 8.048 1.00 0.00 H new ATOM 0 HG SER A 168 -9.936 4.561 9.879 1.00 0.00 H new ATOM 429 N GLU A 169 -10.897 1.420 8.132 1.00 0.00 N ATOM 430 CA GLU A 169 -12.169 1.168 7.475 1.00 0.00 C ATOM 431 C GLU A 169 -12.454 2.306 6.510 1.00 0.00 C ATOM 432 O GLU A 169 -12.921 2.093 5.396 1.00 0.00 O ATOM 433 CB GLU A 169 -13.284 1.123 8.510 1.00 0.00 C ATOM 434 CG GLU A 169 -14.638 0.797 7.920 1.00 0.00 C ATOM 435 CD GLU A 169 -15.754 0.980 8.901 1.00 0.00 C ATOM 436 OE1 GLU A 169 -16.038 0.039 9.679 1.00 0.00 O ATOM 437 OE2 GLU A 169 -16.357 2.079 8.931 1.00 0.00 O1- ATOM 0 H GLU A 169 -10.956 1.428 9.150 1.00 0.00 H new ATOM 0 HA GLU A 169 -12.121 0.216 6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -13.037 0.379 9.267 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -13.339 2.087 9.016 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -14.814 1.433 7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -14.637 -0.234 7.565 1.00 0.00 H new ATOM 444 N GLU A 170 -12.080 3.501 6.946 1.00 0.00 N ATOM 445 CA GLU A 170 -12.251 4.741 6.202 1.00 0.00 C ATOM 446 C GLU A 170 -11.595 4.624 4.844 1.00 0.00 C ATOM 447 O GLU A 170 -12.172 5.006 3.829 1.00 0.00 O ATOM 448 CB GLU A 170 -11.548 5.845 6.962 1.00 0.00 C ATOM 449 CG GLU A 170 -12.064 6.067 8.359 1.00 0.00 C ATOM 450 CD GLU A 170 -11.093 6.859 9.177 1.00 0.00 C ATOM 451 OE1 GLU A 170 -11.041 8.103 9.047 1.00 0.00 O ATOM 452 OE2 GLU A 170 -10.333 6.236 9.953 1.00 0.00 O1- ATOM 0 H GLU A 170 -11.636 3.638 7.854 1.00 0.00 H new ATOM 0 HA GLU A 170 -13.314 4.950 6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -10.484 5.613 7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -11.645 6.774 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -13.019 6.590 8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -12.248 5.105 8.838 1.00 0.00 H new ATOM 459 N ASP A 171 -10.417 4.035 4.834 1.00 0.00 N ATOM 460 CA ASP A 171 -9.628 3.897 3.624 1.00 0.00 C ATOM 461 C ASP A 171 -10.249 2.892 2.701 1.00 0.00 C ATOM 462 O ASP A 171 -10.316 3.111 1.506 1.00 0.00 O ATOM 463 CB ASP A 171 -8.178 3.504 3.928 1.00 0.00 C ATOM 464 CG ASP A 171 -7.486 4.478 4.844 1.00 0.00 C ATOM 465 OD1 ASP A 171 -7.438 5.674 4.526 1.00 0.00 O1- ATOM 466 OD2 ASP A 171 -7.036 4.067 5.933 1.00 0.00 O ATOM 0 H ASP A 171 -9.978 3.638 5.664 1.00 0.00 H new ATOM 0 HA ASP A 171 -9.614 4.872 3.136 1.00 0.00 H new ATOM 0 HB2 ASP A 171 -8.163 2.513 4.382 1.00 0.00 H new ATOM 0 HB3 ASP A 171 -7.622 3.435 2.993 1.00 0.00 H new ATOM 471 N TYR A 172 -10.793 1.820 3.268 1.00 0.00 N ATOM 472 CA TYR A 172 -11.391 0.751 2.473 1.00 0.00 C ATOM 473 C TYR A 172 -12.633 1.254 1.760 1.00 0.00 C ATOM 474 O TYR A 172 -12.974 0.805 0.673 1.00 0.00 O ATOM 475 CB TYR A 172 -11.741 -0.465 3.349 1.00 0.00 C ATOM 476 CG TYR A 172 -10.554 -1.132 4.026 1.00 0.00 C ATOM 477 CD1 TYR A 172 -9.381 -1.393 3.331 1.00 0.00 C ATOM 478 CD2 TYR A 172 -10.620 -1.522 5.351 1.00 0.00 C ATOM 479 CE1 TYR A 172 -8.313 -2.021 3.937 1.00 0.00 C ATOM 480 CE2 TYR A 172 -9.557 -2.144 5.966 1.00 0.00 C ATOM 481 CZ TYR A 172 -8.406 -2.390 5.253 1.00 0.00 C ATOM 482 OH TYR A 172 -7.350 -3.026 5.860 1.00 0.00 O ATOM 0 H TYR A 172 -10.833 1.668 4.276 1.00 0.00 H new ATOM 0 HA TYR A 172 -10.658 0.436 1.731 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -12.448 -0.150 4.117 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -12.250 -1.204 2.731 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -9.303 -1.098 2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -11.523 -1.335 5.914 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -7.410 -2.220 3.378 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -9.626 -2.437 7.003 1.00 0.00 H new ATOM 0 HH TYR A 172 -7.676 -3.816 6.340 1.00 0.00 H new ATOM 492 N ARG A 173 -13.274 2.208 2.385 1.00 0.00 N ATOM 493 CA ARG A 173 -14.509 2.793 1.897 1.00 0.00 C ATOM 494 C ARG A 173 -14.256 3.857 0.834 1.00 0.00 C ATOM 495 O ARG A 173 -15.075 4.049 -0.077 1.00 0.00 O ATOM 496 CB ARG A 173 -15.252 3.414 3.073 1.00 0.00 C ATOM 497 CG ARG A 173 -15.627 2.401 4.130 1.00 0.00 C ATOM 498 CD ARG A 173 -16.124 3.043 5.417 1.00 0.00 C ATOM 499 NE ARG A 173 -17.233 3.967 5.225 1.00 0.00 N ATOM 500 CZ ARG A 173 -17.975 4.478 6.219 1.00 0.00 C ATOM 501 NH1 ARG A 173 -17.802 4.060 7.487 1.00 0.00 N1+ ATOM 502 NH2 ARG A 173 -18.900 5.391 5.943 1.00 0.00 N ATOM 0 H ARG A 173 -12.951 2.612 3.264 1.00 0.00 H new ATOM 0 HA ARG A 173 -15.103 2.005 1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -14.629 4.188 3.522 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -16.155 3.903 2.709 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -16.401 1.742 3.736 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -14.761 1.778 4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -16.433 2.258 6.107 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -15.298 3.575 5.889 1.00 0.00 H new ATOM 0 HE ARG A 173 -17.461 4.244 4.270 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -17.102 3.349 7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -18.371 4.454 8.236 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -19.042 5.699 4.981 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -19.468 5.784 6.693 1.00 0.00 H new ATOM 516 N THR A 174 -13.136 4.535 0.939 1.00 0.00 N ATOM 517 CA THR A 174 -12.855 5.654 0.063 1.00 0.00 C ATOM 518 C THR A 174 -11.913 5.298 -1.091 1.00 0.00 C ATOM 519 O THR A 174 -12.084 5.781 -2.221 1.00 0.00 O ATOM 520 CB THR A 174 -12.267 6.827 0.880 1.00 0.00 C ATOM 521 OG1 THR A 174 -11.201 6.341 1.725 1.00 0.00 O ATOM 522 CG2 THR A 174 -13.342 7.477 1.742 1.00 0.00 C ATOM 0 H THR A 174 -12.404 4.333 1.621 1.00 0.00 H new ATOM 0 HA THR A 174 -13.804 5.945 -0.387 1.00 0.00 H new ATOM 0 HB THR A 174 -11.879 7.573 0.186 1.00 0.00 H new ATOM 0 HG1 THR A 174 -11.581 5.956 2.542 1.00 0.00 H new ATOM 0 HG21 THR A 174 -12.906 8.300 2.308 1.00 0.00 H new ATOM 0 HG22 THR A 174 -14.139 7.858 1.104 1.00 0.00 H new ATOM 0 HG23 THR A 174 -13.751 6.739 2.432 1.00 0.00 H new ATOM 530 N LEU A 175 -10.978 4.421 -0.840 1.00 0.00 N ATOM 531 CA LEU A 175 -9.983 4.089 -1.826 1.00 0.00 C ATOM 532 C LEU A 175 -10.372 2.799 -2.526 1.00 0.00 C ATOM 533 O LEU A 175 -9.759 1.765 -2.348 1.00 0.00 O ATOM 534 CB LEU A 175 -8.597 3.962 -1.167 1.00 0.00 C ATOM 535 CG LEU A 175 -8.192 5.100 -0.211 1.00 0.00 C ATOM 536 CD1 LEU A 175 -6.839 4.826 0.416 1.00 0.00 C ATOM 537 CD2 LEU A 175 -8.195 6.451 -0.915 1.00 0.00 C ATOM 0 H LEU A 175 -10.884 3.921 0.044 1.00 0.00 H new ATOM 0 HA LEU A 175 -9.929 4.886 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 175 -8.565 3.023 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 175 -7.848 3.894 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 175 -8.937 5.139 0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 175 -6.576 5.644 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 175 -6.881 3.894 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 175 -6.085 4.742 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 175 -7.904 7.230 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 175 -7.488 6.431 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 175 -9.195 6.661 -1.295 1.00 0.00 H new ATOM 549 N THR A 176 -11.413 2.869 -3.299 1.00 0.00 N ATOM 550 CA THR A 176 -11.932 1.718 -3.995 1.00 0.00 C ATOM 551 C THR A 176 -11.324 1.569 -5.393 1.00 0.00 C ATOM 552 O THR A 176 -11.789 0.781 -6.209 1.00 0.00 O ATOM 553 CB THR A 176 -13.462 1.818 -4.078 1.00 0.00 C ATOM 554 OG1 THR A 176 -13.835 3.173 -4.428 1.00 0.00 O ATOM 555 CG2 THR A 176 -14.098 1.437 -2.747 1.00 0.00 C ATOM 0 H THR A 176 -11.934 3.729 -3.469 1.00 0.00 H new ATOM 0 HA THR A 176 -11.654 0.827 -3.432 1.00 0.00 H new ATOM 0 HB THR A 176 -13.820 1.127 -4.842 1.00 0.00 H new ATOM 0 HG1 THR A 176 -14.811 3.240 -4.483 1.00 0.00 H new ATOM 0 HG21 THR A 176 -15.182 1.514 -2.827 1.00 0.00 H new ATOM 0 HG22 THR A 176 -13.825 0.413 -2.493 1.00 0.00 H new ATOM 0 HG23 THR A 176 -13.742 2.111 -1.968 1.00 0.00 H new ATOM 563 N ASN A 177 -10.260 2.297 -5.639 1.00 0.00 N ATOM 564 CA ASN A 177 -9.594 2.284 -6.921 1.00 0.00 C ATOM 565 C ASN A 177 -8.163 2.694 -6.703 1.00 0.00 C ATOM 566 O ASN A 177 -7.900 3.560 -5.865 1.00 0.00 O ATOM 567 CB ASN A 177 -10.318 3.248 -7.888 1.00 0.00 C ATOM 568 CG ASN A 177 -9.771 3.292 -9.317 1.00 0.00 C ATOM 569 OD1 ASN A 177 -8.572 3.196 -9.567 1.00 0.00 O ATOM 570 ND2 ASN A 177 -10.653 3.412 -10.255 1.00 0.00 N ATOM 0 H ASN A 177 -9.830 2.917 -4.953 1.00 0.00 H new ATOM 0 HA ASN A 177 -9.618 1.290 -7.367 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -11.371 2.968 -7.930 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -10.272 4.254 -7.470 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -10.360 3.429 -11.232 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -11.642 3.490 -10.018 1.00 0.00 H new ATOM 577 N TYR A 178 -7.245 2.069 -7.437 1.00 0.00 N ATOM 578 CA TYR A 178 -5.816 2.328 -7.315 1.00 0.00 C ATOM 579 C TYR A 178 -5.481 3.806 -7.547 1.00 0.00 C ATOM 580 O TYR A 178 -4.581 4.349 -6.915 1.00 0.00 O ATOM 581 CB TYR A 178 -5.004 1.436 -8.272 1.00 0.00 C ATOM 582 CG TYR A 178 -3.502 1.664 -8.190 1.00 0.00 C ATOM 583 CD1 TYR A 178 -2.762 1.145 -7.140 1.00 0.00 C ATOM 584 CD2 TYR A 178 -2.834 2.404 -9.158 1.00 0.00 C ATOM 585 CE1 TYR A 178 -1.404 1.356 -7.050 1.00 0.00 C ATOM 586 CE2 TYR A 178 -1.473 2.618 -9.078 1.00 0.00 C ATOM 587 CZ TYR A 178 -0.762 2.093 -8.022 1.00 0.00 C ATOM 588 OH TYR A 178 0.601 2.308 -7.936 1.00 0.00 O ATOM 0 H TYR A 178 -7.476 1.364 -8.137 1.00 0.00 H new ATOM 0 HA TYR A 178 -5.536 2.081 -6.291 1.00 0.00 H new ATOM 0 HB2 TYR A 178 -5.217 0.390 -8.049 1.00 0.00 H new ATOM 0 HB3 TYR A 178 -5.335 1.618 -9.294 1.00 0.00 H new ATOM 0 HD1 TYR A 178 -3.260 0.564 -6.378 1.00 0.00 H new ATOM 0 HD2 TYR A 178 -3.389 2.818 -9.987 1.00 0.00 H new ATOM 0 HE1 TYR A 178 -0.845 0.946 -6.222 1.00 0.00 H new ATOM 0 HE2 TYR A 178 -0.968 3.194 -9.839 1.00 0.00 H new ATOM 0 HH TYR A 178 0.896 2.845 -8.701 1.00 0.00 H new ATOM 598 N LYS A 179 -6.210 4.459 -8.431 1.00 0.00 N ATOM 599 CA LYS A 179 -5.964 5.869 -8.697 1.00 0.00 C ATOM 600 C LYS A 179 -6.288 6.750 -7.487 1.00 0.00 C ATOM 601 O LYS A 179 -5.538 7.676 -7.164 1.00 0.00 O ATOM 602 CB LYS A 179 -6.687 6.338 -9.942 1.00 0.00 C ATOM 603 CG LYS A 179 -6.104 5.769 -11.217 1.00 0.00 C ATOM 604 CD LYS A 179 -6.753 6.390 -12.427 1.00 0.00 C ATOM 605 CE LYS A 179 -6.101 5.920 -13.717 1.00 0.00 C ATOM 606 NZ LYS A 179 -4.681 6.328 -13.808 1.00 0.00 N1+ ATOM 0 H LYS A 179 -6.969 4.045 -8.973 1.00 0.00 H new ATOM 0 HA LYS A 179 -4.895 5.973 -8.885 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -7.738 6.056 -9.873 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -6.651 7.426 -9.987 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -5.029 5.949 -11.243 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -6.247 4.689 -11.237 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -7.813 6.137 -12.442 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -6.685 7.476 -12.359 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -6.170 4.834 -13.782 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -6.649 6.326 -14.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -4.355 6.233 -14.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -4.584 7.318 -13.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -4.105 5.720 -13.192 1.00 0.00 H new ATOM 620 N ALA A 180 -7.370 6.428 -6.803 1.00 0.00 N ATOM 621 CA ALA A 180 -7.761 7.145 -5.596 1.00 0.00 C ATOM 622 C ALA A 180 -6.856 6.731 -4.442 1.00 0.00 C ATOM 623 O ALA A 180 -6.588 7.496 -3.532 1.00 0.00 O ATOM 624 CB ALA A 180 -9.220 6.860 -5.253 1.00 0.00 C ATOM 0 H ALA A 180 -8.000 5.669 -7.063 1.00 0.00 H new ATOM 0 HA ALA A 180 -7.655 8.216 -5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 180 -9.494 7.404 -4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 180 -9.857 7.181 -6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 180 -9.353 5.791 -5.088 1.00 0.00 H new ATOM 630 N PHE A 181 -6.382 5.517 -4.511 1.00 0.00 N ATOM 631 CA PHE A 181 -5.511 4.963 -3.510 1.00 0.00 C ATOM 632 C PHE A 181 -4.135 5.635 -3.554 1.00 0.00 C ATOM 633 O PHE A 181 -3.628 6.108 -2.533 1.00 0.00 O ATOM 634 CB PHE A 181 -5.382 3.464 -3.755 1.00 0.00 C ATOM 635 CG PHE A 181 -4.532 2.745 -2.772 1.00 0.00 C ATOM 636 CD1 PHE A 181 -5.056 2.353 -1.567 1.00 0.00 C ATOM 637 CD2 PHE A 181 -3.209 2.459 -3.055 1.00 0.00 C ATOM 638 CE1 PHE A 181 -4.287 1.690 -0.656 1.00 0.00 C ATOM 639 CE2 PHE A 181 -2.434 1.792 -2.144 1.00 0.00 C ATOM 640 CZ PHE A 181 -2.980 1.406 -0.940 1.00 0.00 C ATOM 0 H PHE A 181 -6.593 4.875 -5.275 1.00 0.00 H new ATOM 0 HA PHE A 181 -5.932 5.141 -2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 181 -6.378 3.021 -3.746 1.00 0.00 H new ATOM 0 HB3 PHE A 181 -4.972 3.307 -4.753 1.00 0.00 H new ATOM 0 HD1 PHE A 181 -6.088 2.571 -1.337 1.00 0.00 H new ATOM 0 HD2 PHE A 181 -2.784 2.763 -4.000 1.00 0.00 H new ATOM 0 HE1 PHE A 181 -4.711 1.389 0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 181 -1.401 1.570 -2.368 1.00 0.00 H new ATOM 0 HZ PHE A 181 -2.374 0.878 -0.218 1.00 0.00 H new ATOM 650 N SER A 182 -3.564 5.699 -4.737 1.00 0.00 N ATOM 651 CA SER A 182 -2.233 6.235 -4.922 1.00 0.00 C ATOM 652 C SER A 182 -2.116 7.710 -4.524 1.00 0.00 C ATOM 653 O SER A 182 -1.125 8.097 -3.919 1.00 0.00 O ATOM 654 CB SER A 182 -1.723 5.955 -6.343 1.00 0.00 C ATOM 655 OG SER A 182 -2.711 6.270 -7.320 1.00 0.00 O ATOM 0 H SER A 182 -4.009 5.381 -5.598 1.00 0.00 H new ATOM 0 HA SER A 182 -1.575 5.708 -4.231 1.00 0.00 H new ATOM 0 HB2 SER A 182 -0.823 6.541 -6.531 1.00 0.00 H new ATOM 0 HB3 SER A 182 -1.444 4.905 -6.431 1.00 0.00 H new ATOM 0 HG SER A 182 -3.373 5.548 -7.360 1.00 0.00 H new ATOM 661 N GLN A 183 -3.157 8.508 -4.798 1.00 0.00 N ATOM 662 CA GLN A 183 -3.139 9.930 -4.436 1.00 0.00 C ATOM 663 C GLN A 183 -3.094 10.105 -2.913 1.00 0.00 C ATOM 664 O GLN A 183 -2.614 11.115 -2.411 1.00 0.00 O ATOM 665 CB GLN A 183 -4.352 10.687 -5.010 1.00 0.00 C ATOM 666 CG GLN A 183 -5.693 10.223 -4.465 1.00 0.00 C ATOM 667 CD GLN A 183 -6.863 11.062 -4.927 1.00 0.00 C ATOM 668 OE1 GLN A 183 -6.847 11.636 -6.013 1.00 0.00 O ATOM 669 NE2 GLN A 183 -7.877 11.145 -4.108 1.00 0.00 N ATOM 0 H GLN A 183 -4.011 8.198 -5.263 1.00 0.00 H new ATOM 0 HA GLN A 183 -2.236 10.356 -4.874 1.00 0.00 H new ATOM 0 HB2 GLN A 183 -4.235 11.750 -4.799 1.00 0.00 H new ATOM 0 HB3 GLN A 183 -4.355 10.576 -6.094 1.00 0.00 H new ATOM 0 HG2 GLN A 183 -5.859 9.188 -4.766 1.00 0.00 H new ATOM 0 HG3 GLN A 183 -5.656 10.236 -3.376 1.00 0.00 H new ATOM 0 HE21 GLN A 183 -7.853 10.653 -3.215 1.00 0.00 H new ATOM 0 HE22 GLN A 183 -8.693 11.701 -4.362 1.00 0.00 H new ATOM 678 N PHE A 184 -3.587 9.111 -2.200 1.00 0.00 N ATOM 679 CA PHE A 184 -3.608 9.148 -0.770 1.00 0.00 C ATOM 680 C PHE A 184 -2.296 8.631 -0.208 1.00 0.00 C ATOM 681 O PHE A 184 -1.590 9.344 0.492 1.00 0.00 O ATOM 682 CB PHE A 184 -4.796 8.326 -0.220 1.00 0.00 C ATOM 683 CG PHE A 184 -4.897 8.294 1.291 1.00 0.00 C ATOM 684 CD1 PHE A 184 -5.450 9.356 1.985 1.00 0.00 C ATOM 685 CD2 PHE A 184 -4.428 7.205 2.012 1.00 0.00 C ATOM 686 CE1 PHE A 184 -5.537 9.335 3.362 1.00 0.00 C ATOM 687 CE2 PHE A 184 -4.511 7.178 3.389 1.00 0.00 C ATOM 688 CZ PHE A 184 -5.067 8.246 4.064 1.00 0.00 C ATOM 0 H PHE A 184 -3.981 8.262 -2.605 1.00 0.00 H new ATOM 0 HA PHE A 184 -3.735 10.184 -0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 184 -5.722 8.736 -0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 184 -4.713 7.303 -0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 184 -5.819 10.213 1.441 1.00 0.00 H new ATOM 0 HD2 PHE A 184 -3.992 6.367 1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 184 -5.973 10.171 3.889 1.00 0.00 H new ATOM 0 HE2 PHE A 184 -4.142 6.324 3.937 1.00 0.00 H new ATOM 0 HZ PHE A 184 -5.134 8.228 5.142 1.00 0.00 H new ATOM 698 N VAL A 185 -1.956 7.418 -0.570 1.00 0.00 N ATOM 699 CA VAL A 185 -0.827 6.715 0.016 1.00 0.00 C ATOM 700 C VAL A 185 0.549 7.294 -0.407 1.00 0.00 C ATOM 701 O VAL A 185 1.498 7.244 0.375 1.00 0.00 O ATOM 702 CB VAL A 185 -0.927 5.186 -0.260 1.00 0.00 C ATOM 703 CG1 VAL A 185 0.164 4.407 0.456 1.00 0.00 C ATOM 704 CG2 VAL A 185 -2.287 4.676 0.173 1.00 0.00 C ATOM 0 H VAL A 185 -2.453 6.883 -1.282 1.00 0.00 H new ATOM 0 HA VAL A 185 -0.885 6.873 1.093 1.00 0.00 H new ATOM 0 HB VAL A 185 -0.795 5.033 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 185 0.057 3.345 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 185 1.140 4.751 0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 185 0.078 4.565 1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 185 -2.353 3.606 -0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 185 -2.422 4.860 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 185 -3.065 5.195 -0.386 1.00 0.00 H new ATOM 714 N ARG A 186 0.641 7.873 -1.611 1.00 0.00 N ATOM 715 CA ARG A 186 1.907 8.481 -2.082 1.00 0.00 C ATOM 716 C ARG A 186 2.481 9.532 -1.071 1.00 0.00 C ATOM 717 O ARG A 186 3.598 9.353 -0.595 1.00 0.00 O ATOM 718 CB ARG A 186 1.745 9.062 -3.514 1.00 0.00 C ATOM 719 CG ARG A 186 2.793 10.084 -3.962 1.00 0.00 C ATOM 720 CD ARG A 186 4.222 9.564 -3.960 1.00 0.00 C ATOM 721 NE ARG A 186 5.153 10.594 -4.456 1.00 0.00 N ATOM 722 CZ ARG A 186 6.491 10.595 -4.311 1.00 0.00 C ATOM 723 NH1 ARG A 186 7.103 9.661 -3.584 1.00 0.00 N1+ ATOM 724 NH2 ARG A 186 7.202 11.560 -4.869 1.00 0.00 N ATOM 0 H ARG A 186 -0.131 7.937 -2.274 1.00 0.00 H new ATOM 0 HA ARG A 186 2.650 7.686 -2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 186 1.754 8.233 -4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 186 0.763 9.529 -3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 186 2.545 10.423 -4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 186 2.736 10.955 -3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 186 4.505 9.267 -2.950 1.00 0.00 H new ATOM 0 HD3 ARG A 186 4.291 8.673 -4.585 1.00 0.00 H new ATOM 0 HE ARG A 186 4.743 11.382 -4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 186 6.556 8.931 -3.127 1.00 0.00 H new ATOM 0 HH12 ARG A 186 8.118 9.676 -3.484 1.00 0.00 H new ATOM 0 HH21 ARG A 186 6.736 12.294 -5.403 1.00 0.00 H new ATOM 0 HH22 ARG A 186 8.217 11.571 -4.766 1.00 0.00 H new ATOM 738 N PRO A 187 1.726 10.632 -0.716 1.00 0.00 N ATOM 739 CA PRO A 187 2.194 11.633 0.268 1.00 0.00 C ATOM 740 C PRO A 187 2.448 11.019 1.629 1.00 0.00 C ATOM 741 O PRO A 187 3.286 11.510 2.397 1.00 0.00 O ATOM 742 CB PRO A 187 1.045 12.614 0.383 1.00 0.00 C ATOM 743 CG PRO A 187 0.270 12.447 -0.869 1.00 0.00 C ATOM 744 CD PRO A 187 0.423 11.013 -1.276 1.00 0.00 C ATOM 0 HA PRO A 187 3.134 12.083 -0.053 1.00 0.00 H new ATOM 0 HB2 PRO A 187 0.431 12.402 1.258 1.00 0.00 H new ATOM 0 HB3 PRO A 187 1.408 13.636 0.489 1.00 0.00 H new ATOM 0 HG2 PRO A 187 -0.780 12.696 -0.712 1.00 0.00 H new ATOM 0 HG3 PRO A 187 0.642 13.113 -1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 187 -0.381 10.395 -0.877 1.00 0.00 H new ATOM 0 HD3 PRO A 187 0.404 10.900 -2.360 1.00 0.00 H new ATOM 752 N LEU A 188 1.699 9.968 1.934 1.00 0.00 N ATOM 753 CA LEU A 188 1.895 9.232 3.169 1.00 0.00 C ATOM 754 C LEU A 188 3.283 8.650 3.212 1.00 0.00 C ATOM 755 O LEU A 188 4.063 9.021 4.056 1.00 0.00 O ATOM 756 CB LEU A 188 0.834 8.128 3.388 1.00 0.00 C ATOM 757 CG LEU A 188 -0.441 8.507 4.165 1.00 0.00 C ATOM 758 CD1 LEU A 188 -0.110 8.855 5.609 1.00 0.00 C ATOM 759 CD2 LEU A 188 -1.174 9.654 3.506 1.00 0.00 C ATOM 0 H LEU A 188 0.951 9.608 1.341 1.00 0.00 H new ATOM 0 HA LEU A 188 1.774 9.943 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 188 0.532 7.754 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 188 1.313 7.301 3.912 1.00 0.00 H new ATOM 0 HG LEU A 188 -1.098 7.638 4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 188 -1.025 9.119 6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 188 0.354 7.996 6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 188 0.579 9.700 5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 188 -2.068 9.893 4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 188 -0.523 10.527 3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 188 -1.460 9.369 2.494 1.00 0.00 H new ATOM 771 N ILE A 189 3.612 7.800 2.249 1.00 0.00 N ATOM 772 CA ILE A 189 4.927 7.143 2.214 1.00 0.00 C ATOM 773 C ILE A 189 6.038 8.198 2.047 1.00 0.00 C ATOM 774 O ILE A 189 7.126 8.086 2.635 1.00 0.00 O ATOM 775 CB ILE A 189 5.021 6.102 1.065 1.00 0.00 C ATOM 776 CG1 ILE A 189 3.824 5.152 1.102 1.00 0.00 C ATOM 777 CG2 ILE A 189 6.312 5.289 1.212 1.00 0.00 C ATOM 778 CD1 ILE A 189 3.744 4.227 -0.097 1.00 0.00 C ATOM 0 H ILE A 189 2.993 7.544 1.480 1.00 0.00 H new ATOM 0 HA ILE A 189 5.056 6.615 3.159 1.00 0.00 H new ATOM 0 HB ILE A 189 5.022 6.635 0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 189 3.876 4.552 2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 189 2.907 5.739 1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 189 6.376 4.559 0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 189 7.171 5.958 1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 189 6.308 4.770 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 189 2.870 3.582 -0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 189 3.660 4.819 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 189 4.644 3.614 -0.144 1.00 0.00 H new ATOM 790 N ALA A 190 5.722 9.254 1.296 1.00 0.00 N ATOM 791 CA ALA A 190 6.640 10.366 1.048 1.00 0.00 C ATOM 792 C ALA A 190 7.056 11.066 2.342 1.00 0.00 C ATOM 793 O ALA A 190 8.078 11.732 2.381 1.00 0.00 O ATOM 794 CB ALA A 190 6.040 11.364 0.071 1.00 0.00 C ATOM 0 H ALA A 190 4.816 9.362 0.840 1.00 0.00 H new ATOM 0 HA ALA A 190 7.539 9.941 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 190 6.744 12.179 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 190 5.832 10.866 -0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 190 5.113 11.763 0.482 1.00 0.00 H new ATOM 800 N ALA A 191 6.247 10.940 3.391 1.00 0.00 N ATOM 801 CA ALA A 191 6.598 11.498 4.690 1.00 0.00 C ATOM 802 C ALA A 191 7.894 10.866 5.226 1.00 0.00 C ATOM 803 O ALA A 191 8.697 11.542 5.883 1.00 0.00 O ATOM 804 CB ALA A 191 5.466 11.321 5.693 1.00 0.00 C ATOM 0 H ALA A 191 5.348 10.458 3.365 1.00 0.00 H new ATOM 0 HA ALA A 191 6.765 12.567 4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 191 5.760 11.748 6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 191 4.573 11.829 5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 191 5.254 10.259 5.818 1.00 0.00 H new ATOM 810 N LYS A 192 8.106 9.584 4.931 1.00 0.00 N ATOM 811 CA LYS A 192 9.319 8.885 5.358 1.00 0.00 C ATOM 812 C LYS A 192 10.353 8.861 4.256 1.00 0.00 C ATOM 813 O LYS A 192 11.551 8.854 4.528 1.00 0.00 O ATOM 814 CB LYS A 192 9.010 7.444 5.741 1.00 0.00 C ATOM 815 CG LYS A 192 8.329 7.239 7.077 1.00 0.00 C ATOM 816 CD LYS A 192 9.254 7.496 8.233 1.00 0.00 C ATOM 817 CE LYS A 192 8.601 7.104 9.546 1.00 0.00 C ATOM 818 NZ LYS A 192 9.549 7.220 10.680 1.00 0.00 N1+ ATOM 0 H LYS A 192 7.454 9.008 4.398 1.00 0.00 H new ATOM 0 HA LYS A 192 9.708 9.428 6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 192 8.379 7.011 4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 192 9.944 6.882 5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 192 7.468 7.903 7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 192 7.951 6.218 7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 192 10.177 6.932 8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 192 9.527 8.551 8.258 1.00 0.00 H new ATOM 0 HE2 LYS A 192 7.735 7.741 9.727 1.00 0.00 H new ATOM 0 HE3 LYS A 192 8.235 6.080 9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 192 9.175 6.700 11.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 192 10.469 6.819 10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 192 9.669 8.222 10.931 1.00 0.00 H new ATOM 832 N ASN A 193 9.908 8.867 3.024 1.00 0.00 N ATOM 833 CA ASN A 193 10.822 8.837 1.902 1.00 0.00 C ATOM 834 C ASN A 193 10.361 9.705 0.724 1.00 0.00 C ATOM 835 O ASN A 193 9.720 9.238 -0.209 1.00 0.00 O ATOM 836 CB ASN A 193 11.209 7.387 1.467 1.00 0.00 C ATOM 837 CG ASN A 193 10.023 6.467 1.182 1.00 0.00 C ATOM 838 OD1 ASN A 193 9.509 6.413 0.088 1.00 0.00 O ATOM 839 ND2 ASN A 193 9.630 5.691 2.155 1.00 0.00 N ATOM 0 H ASN A 193 8.921 8.892 2.770 1.00 0.00 H new ATOM 0 HA ASN A 193 11.741 9.296 2.266 1.00 0.00 H new ATOM 0 HB2 ASN A 193 11.830 7.444 0.573 1.00 0.00 H new ATOM 0 HB3 ASN A 193 11.819 6.938 2.251 1.00 0.00 H new ATOM 0 HD21 ASN A 193 8.875 5.022 2.001 1.00 0.00 H new ATOM 0 HD22 ASN A 193 10.077 5.753 3.070 1.00 0.00 H new ATOM 846 N PRO A 194 10.641 11.018 0.776 1.00 0.00 N ATOM 847 CA PRO A 194 10.293 11.921 -0.308 1.00 0.00 C ATOM 848 C PRO A 194 11.389 11.956 -1.376 1.00 0.00 C ATOM 849 O PRO A 194 11.189 12.457 -2.488 1.00 0.00 O ATOM 850 CB PRO A 194 10.178 13.276 0.393 1.00 0.00 C ATOM 851 CG PRO A 194 11.123 13.202 1.548 1.00 0.00 C ATOM 852 CD PRO A 194 11.257 11.741 1.919 1.00 0.00 C ATOM 0 HA PRO A 194 9.384 11.624 -0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 194 10.443 14.091 -0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 194 9.158 13.459 0.730 1.00 0.00 H new ATOM 0 HG2 PRO A 194 12.092 13.622 1.280 1.00 0.00 H new ATOM 0 HG3 PRO A 194 10.747 13.781 2.391 1.00 0.00 H new ATOM 0 HD2 PRO A 194 12.301 11.458 2.053 1.00 0.00 H new ATOM 0 HD3 PRO A 194 10.744 11.519 2.854 1.00 0.00 H new ATOM 860 N LYS A 195 12.534 11.392 -1.048 1.00 0.00 N ATOM 861 CA LYS A 195 13.666 11.396 -1.937 1.00 0.00 C ATOM 862 C LYS A 195 13.881 10.018 -2.532 1.00 0.00 C ATOM 863 O LYS A 195 14.943 9.723 -3.085 1.00 0.00 O ATOM 864 CB LYS A 195 14.910 11.877 -1.200 1.00 0.00 C ATOM 865 CG LYS A 195 14.748 13.279 -0.626 1.00 0.00 C ATOM 866 CD LYS A 195 15.987 13.755 0.103 1.00 0.00 C ATOM 867 CE LYS A 195 17.183 13.886 -0.824 1.00 0.00 C ATOM 868 NZ LYS A 195 18.361 14.420 -0.131 1.00 0.00 N1+ ATOM 0 H LYS A 195 12.700 10.921 -0.159 1.00 0.00 H new ATOM 0 HA LYS A 195 13.467 12.086 -2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 195 15.140 11.182 -0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 195 15.760 11.864 -1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 195 14.516 13.974 -1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 195 13.900 13.292 0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 195 15.784 14.719 0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 195 16.226 13.056 0.905 1.00 0.00 H new ATOM 0 HE2 LYS A 195 17.423 12.910 -1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 195 16.926 14.540 -1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 195 19.154 14.493 -0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 195 18.142 15.362 0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 195 18.623 13.783 0.648 1.00 0.00 H new ATOM 882 N ILE A 196 12.857 9.191 -2.446 1.00 0.00 N ATOM 883 CA ILE A 196 12.896 7.846 -2.990 1.00 0.00 C ATOM 884 C ILE A 196 12.714 7.943 -4.523 1.00 0.00 C ATOM 885 O ILE A 196 12.282 9.001 -5.036 1.00 0.00 O ATOM 886 CB ILE A 196 11.739 6.975 -2.389 1.00 0.00 C ATOM 887 CG1 ILE A 196 12.034 5.470 -2.552 1.00 0.00 C ATOM 888 CG2 ILE A 196 10.394 7.347 -3.016 1.00 0.00 C ATOM 889 CD1 ILE A 196 10.892 4.542 -2.186 1.00 0.00 C ATOM 0 H ILE A 196 11.974 9.432 -1.997 1.00 0.00 H new ATOM 0 HA ILE A 196 13.848 7.378 -2.739 1.00 0.00 H new ATOM 0 HB ILE A 196 11.680 7.185 -1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 196 12.315 5.282 -3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 196 12.897 5.217 -1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 196 9.607 6.729 -2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 196 10.179 8.398 -2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 196 10.436 7.180 -4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 196 11.201 3.508 -2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 196 10.622 4.692 -1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 196 10.031 4.758 -2.818 1.00 0.00 H new ATOM 901 N ALA A 197 13.038 6.887 -5.238 1.00 0.00 N ATOM 902 CA ALA A 197 12.822 6.856 -6.664 1.00 0.00 C ATOM 903 C ALA A 197 11.341 6.602 -6.964 1.00 0.00 C ATOM 904 O ALA A 197 10.688 5.789 -6.288 1.00 0.00 O ATOM 905 CB ALA A 197 13.699 5.798 -7.309 1.00 0.00 C ATOM 0 H ALA A 197 13.452 6.039 -4.852 1.00 0.00 H new ATOM 0 HA ALA A 197 13.097 7.822 -7.087 1.00 0.00 H new ATOM 0 HB1 ALA A 197 13.524 5.787 -8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 197 14.747 6.026 -7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 197 13.456 4.821 -6.892 1.00 0.00 H new ATOM 911 N VAL A 198 10.831 7.269 -7.986 1.00 0.00 N ATOM 912 CA VAL A 198 9.415 7.203 -8.363 1.00 0.00 C ATOM 913 C VAL A 198 9.007 5.780 -8.765 1.00 0.00 C ATOM 914 O VAL A 198 7.930 5.304 -8.384 1.00 0.00 O ATOM 915 CB VAL A 198 9.086 8.207 -9.506 1.00 0.00 C ATOM 916 CG1 VAL A 198 7.611 8.146 -9.902 1.00 0.00 C ATOM 917 CG2 VAL A 198 9.454 9.621 -9.084 1.00 0.00 C ATOM 0 H VAL A 198 11.386 7.878 -8.587 1.00 0.00 H new ATOM 0 HA VAL A 198 8.835 7.485 -7.484 1.00 0.00 H new ATOM 0 HB VAL A 198 9.678 7.924 -10.377 1.00 0.00 H new ATOM 0 HG11 VAL A 198 7.419 8.861 -10.702 1.00 0.00 H new ATOM 0 HG12 VAL A 198 7.368 7.141 -10.247 1.00 0.00 H new ATOM 0 HG13 VAL A 198 6.992 8.393 -9.039 1.00 0.00 H new ATOM 0 HG21 VAL A 198 9.219 10.314 -9.892 1.00 0.00 H new ATOM 0 HG22 VAL A 198 8.887 9.895 -8.194 1.00 0.00 H new ATOM 0 HG23 VAL A 198 10.520 9.669 -8.863 1.00 0.00 H new ATOM 927 N SER A 199 9.876 5.100 -9.492 1.00 0.00 N ATOM 928 CA SER A 199 9.631 3.728 -9.906 1.00 0.00 C ATOM 929 C SER A 199 9.498 2.810 -8.681 1.00 0.00 C ATOM 930 O SER A 199 8.626 1.940 -8.629 1.00 0.00 O ATOM 931 CB SER A 199 10.764 3.257 -10.817 1.00 0.00 C ATOM 932 OG SER A 199 10.899 4.134 -11.930 1.00 0.00 O ATOM 0 H SER A 199 10.767 5.480 -9.811 1.00 0.00 H new ATOM 0 HA SER A 199 8.693 3.685 -10.460 1.00 0.00 H new ATOM 0 HB2 SER A 199 11.699 3.222 -10.258 1.00 0.00 H new ATOM 0 HB3 SER A 199 10.562 2.244 -11.166 1.00 0.00 H new ATOM 0 HG SER A 199 11.629 3.823 -12.505 1.00 0.00 H new ATOM 938 N LYS A 200 10.322 3.059 -7.674 1.00 0.00 N ATOM 939 CA LYS A 200 10.294 2.270 -6.459 1.00 0.00 C ATOM 940 C LYS A 200 9.044 2.598 -5.657 1.00 0.00 C ATOM 941 O LYS A 200 8.419 1.721 -5.080 1.00 0.00 O ATOM 942 CB LYS A 200 11.557 2.497 -5.629 1.00 0.00 C ATOM 943 CG LYS A 200 12.854 2.114 -6.338 1.00 0.00 C ATOM 944 CD LYS A 200 12.895 0.641 -6.715 1.00 0.00 C ATOM 945 CE LYS A 200 14.235 0.244 -7.319 1.00 0.00 C ATOM 946 NZ LYS A 200 15.354 0.462 -6.376 1.00 0.00 N1+ ATOM 0 H LYS A 200 11.019 3.804 -7.678 1.00 0.00 H new ATOM 0 HA LYS A 200 10.266 1.214 -6.728 1.00 0.00 H new ATOM 0 HB2 LYS A 200 11.608 3.549 -5.347 1.00 0.00 H new ATOM 0 HB3 LYS A 200 11.479 1.923 -4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 200 12.966 2.720 -7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 200 13.700 2.344 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 200 12.702 0.035 -5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 200 12.098 0.427 -7.428 1.00 0.00 H new ATOM 0 HE2 LYS A 200 14.205 -0.806 -7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 200 14.409 0.821 -8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 16.192 -0.059 -6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 15.574 1.477 -6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 15.083 0.121 -5.431 1.00 0.00 H new ATOM 960 N MET A 201 8.668 3.864 -5.671 1.00 0.00 N ATOM 961 CA MET A 201 7.454 4.338 -5.013 1.00 0.00 C ATOM 962 C MET A 201 6.222 3.637 -5.579 1.00 0.00 C ATOM 963 O MET A 201 5.337 3.223 -4.836 1.00 0.00 O ATOM 964 CB MET A 201 7.345 5.864 -5.152 1.00 0.00 C ATOM 965 CG MET A 201 6.036 6.490 -4.661 1.00 0.00 C ATOM 966 SD MET A 201 5.578 6.048 -2.965 1.00 0.00 S ATOM 967 CE MET A 201 7.083 6.407 -2.070 1.00 0.00 C ATOM 0 H MET A 201 9.196 4.600 -6.140 1.00 0.00 H new ATOM 0 HA MET A 201 7.508 4.094 -3.952 1.00 0.00 H new ATOM 0 HB2 MET A 201 8.170 6.319 -4.604 1.00 0.00 H new ATOM 0 HB3 MET A 201 7.478 6.124 -6.202 1.00 0.00 H new ATOM 0 HG2 MET A 201 6.119 7.575 -4.730 1.00 0.00 H new ATOM 0 HG3 MET A 201 5.231 6.189 -5.331 1.00 0.00 H new ATOM 0 HE1 MET A 201 6.836 6.752 -1.066 1.00 0.00 H new ATOM 0 HE2 MET A 201 7.691 5.505 -2.004 1.00 0.00 H new ATOM 0 HE3 MET A 201 7.641 7.184 -2.593 1.00 0.00 H new ATOM 977 N MET A 202 6.192 3.462 -6.887 1.00 0.00 N ATOM 978 CA MET A 202 5.084 2.767 -7.524 1.00 0.00 C ATOM 979 C MET A 202 5.091 1.277 -7.196 1.00 0.00 C ATOM 980 O MET A 202 4.051 0.620 -7.229 1.00 0.00 O ATOM 981 CB MET A 202 5.041 3.022 -9.032 1.00 0.00 C ATOM 982 CG MET A 202 4.710 4.468 -9.379 1.00 0.00 C ATOM 983 SD MET A 202 4.571 4.770 -11.155 1.00 0.00 S ATOM 984 CE MET A 202 6.251 4.469 -11.684 1.00 0.00 C ATOM 0 H MET A 202 6.916 3.788 -7.527 1.00 0.00 H new ATOM 0 HA MET A 202 4.165 3.181 -7.110 1.00 0.00 H new ATOM 0 HB2 MET A 202 6.006 2.761 -9.467 1.00 0.00 H new ATOM 0 HB3 MET A 202 4.298 2.366 -9.485 1.00 0.00 H new ATOM 0 HG2 MET A 202 3.772 4.743 -8.897 1.00 0.00 H new ATOM 0 HG3 MET A 202 5.482 5.118 -8.967 1.00 0.00 H new ATOM 0 HE1 MET A 202 6.373 4.802 -12.715 1.00 0.00 H new ATOM 0 HE2 MET A 202 6.939 5.019 -11.041 1.00 0.00 H new ATOM 0 HE3 MET A 202 6.467 3.403 -11.619 1.00 0.00 H new ATOM 994 N MET A 203 6.259 0.742 -6.864 1.00 0.00 N ATOM 995 CA MET A 203 6.351 -0.641 -6.409 1.00 0.00 C ATOM 996 C MET A 203 5.694 -0.762 -5.045 1.00 0.00 C ATOM 997 O MET A 203 4.946 -1.711 -4.791 1.00 0.00 O ATOM 998 CB MET A 203 7.805 -1.139 -6.327 1.00 0.00 C ATOM 999 CG MET A 203 8.510 -1.277 -7.659 1.00 0.00 C ATOM 1000 SD MET A 203 10.227 -1.848 -7.506 1.00 0.00 S ATOM 1001 CE MET A 203 9.996 -3.462 -6.748 1.00 0.00 C ATOM 0 H MET A 203 7.149 1.239 -6.900 1.00 0.00 H new ATOM 0 HA MET A 203 5.837 -1.264 -7.141 1.00 0.00 H new ATOM 0 HB2 MET A 203 8.374 -0.451 -5.701 1.00 0.00 H new ATOM 0 HB3 MET A 203 7.814 -2.107 -5.826 1.00 0.00 H new ATOM 0 HG2 MET A 203 7.956 -1.977 -8.285 1.00 0.00 H new ATOM 0 HG3 MET A 203 8.499 -0.314 -8.170 1.00 0.00 H new ATOM 0 HE1 MET A 203 10.927 -4.026 -6.803 1.00 0.00 H new ATOM 0 HE2 MET A 203 9.709 -3.336 -5.704 1.00 0.00 H new ATOM 0 HE3 MET A 203 9.212 -4.004 -7.277 1.00 0.00 H new ATOM 1011 N VAL A 204 5.947 0.226 -4.188 1.00 0.00 N ATOM 1012 CA VAL A 204 5.370 0.258 -2.847 1.00 0.00 C ATOM 1013 C VAL A 204 3.873 0.449 -2.958 1.00 0.00 C ATOM 1014 O VAL A 204 3.115 -0.320 -2.410 1.00 0.00 O ATOM 1015 CB VAL A 204 5.930 1.407 -1.971 1.00 0.00 C ATOM 1016 CG1 VAL A 204 5.495 1.229 -0.525 1.00 0.00 C ATOM 1017 CG2 VAL A 204 7.430 1.494 -2.059 1.00 0.00 C ATOM 0 H VAL A 204 6.552 1.019 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 204 5.630 -0.687 -2.370 1.00 0.00 H new ATOM 0 HB VAL A 204 5.522 2.343 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 204 5.896 2.043 0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 204 4.406 1.237 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 204 5.870 0.278 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 204 7.785 2.311 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 204 7.869 0.557 -1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 204 7.724 1.677 -3.093 1.00 0.00 H new ATOM 1027 N LEU A 205 3.465 1.475 -3.706 1.00 0.00 N ATOM 1028 CA LEU A 205 2.053 1.787 -3.922 1.00 0.00 C ATOM 1029 C LEU A 205 1.279 0.599 -4.484 1.00 0.00 C ATOM 1030 O LEU A 205 0.129 0.356 -4.105 1.00 0.00 O ATOM 1031 CB LEU A 205 1.903 2.986 -4.837 1.00 0.00 C ATOM 1032 CG LEU A 205 2.290 4.343 -4.243 1.00 0.00 C ATOM 1033 CD1 LEU A 205 2.077 5.399 -5.262 1.00 0.00 C ATOM 1034 CD2 LEU A 205 1.447 4.639 -3.018 1.00 0.00 C ATOM 0 H LEU A 205 4.105 2.113 -4.179 1.00 0.00 H new ATOM 0 HA LEU A 205 1.628 2.025 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 205 2.510 2.816 -5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 205 0.865 3.039 -5.165 1.00 0.00 H new ATOM 0 HG LEU A 205 3.339 4.320 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 205 2.351 6.368 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 205 2.696 5.192 -6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 205 1.028 5.414 -5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 205 1.732 5.607 -2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 205 0.394 4.660 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 205 1.608 3.863 -2.269 1.00 0.00 H new ATOM 1046 N GLY A 206 1.930 -0.144 -5.368 1.00 0.00 N ATOM 1047 CA GLY A 206 1.328 -1.322 -5.952 1.00 0.00 C ATOM 1048 C GLY A 206 1.111 -2.423 -4.929 1.00 0.00 C ATOM 1049 O GLY A 206 0.034 -3.035 -4.878 1.00 0.00 O ATOM 0 H GLY A 206 2.876 0.053 -5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 206 0.372 -1.054 -6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 206 1.966 -1.694 -6.754 1.00 0.00 H new ATOM 1053 N ALA A 207 2.114 -2.655 -4.098 1.00 0.00 N ATOM 1054 CA ALA A 207 2.034 -3.687 -3.078 1.00 0.00 C ATOM 1055 C ALA A 207 1.088 -3.249 -1.970 1.00 0.00 C ATOM 1056 O ALA A 207 0.335 -4.064 -1.441 1.00 0.00 O ATOM 1057 CB ALA A 207 3.411 -4.024 -2.525 1.00 0.00 C ATOM 0 H ALA A 207 2.995 -2.141 -4.110 1.00 0.00 H new ATOM 0 HA ALA A 207 1.639 -4.595 -3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 207 3.318 -4.799 -1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 207 4.049 -4.383 -3.332 1.00 0.00 H new ATOM 0 HB3 ALA A 207 3.853 -3.132 -2.082 1.00 0.00 H new ATOM 1063 N LYS A 208 1.117 -1.952 -1.640 1.00 0.00 N ATOM 1064 CA LYS A 208 0.191 -1.371 -0.675 1.00 0.00 C ATOM 1065 C LYS A 208 -1.229 -1.656 -1.096 1.00 0.00 C ATOM 1066 O LYS A 208 -2.032 -2.108 -0.298 1.00 0.00 O ATOM 1067 CB LYS A 208 0.397 0.152 -0.527 1.00 0.00 C ATOM 1068 CG LYS A 208 1.587 0.587 0.312 1.00 0.00 C ATOM 1069 CD LYS A 208 1.421 0.197 1.780 1.00 0.00 C ATOM 1070 CE LYS A 208 2.568 0.728 2.620 1.00 0.00 C ATOM 1071 NZ LYS A 208 2.494 0.289 4.032 1.00 0.00 N1+ ATOM 0 H LYS A 208 1.780 -1.284 -2.034 1.00 0.00 H new ATOM 0 HA LYS A 208 0.389 -1.829 0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 208 0.504 0.582 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -0.505 0.579 -0.090 1.00 0.00 H new ATOM 0 HG2 LYS A 208 2.496 0.133 -0.084 1.00 0.00 H new ATOM 0 HG3 LYS A 208 1.710 1.667 0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 208 0.477 0.589 2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 208 1.374 -0.888 1.868 1.00 0.00 H new ATOM 0 HE2 LYS A 208 3.512 0.395 2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 208 2.567 1.817 2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 3.000 0.970 4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 1.498 0.238 4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 2.932 -0.649 4.127 1.00 0.00 H new ATOM 1085 N TRP A 209 -1.509 -1.434 -2.374 1.00 0.00 N ATOM 1086 CA TRP A 209 -2.814 -1.688 -2.957 1.00 0.00 C ATOM 1087 C TRP A 209 -3.183 -3.154 -2.829 1.00 0.00 C ATOM 1088 O TRP A 209 -4.329 -3.499 -2.502 1.00 0.00 O ATOM 1089 CB TRP A 209 -2.824 -1.253 -4.429 1.00 0.00 C ATOM 1090 CG TRP A 209 -4.077 -1.604 -5.182 1.00 0.00 C ATOM 1091 CD1 TRP A 209 -4.181 -2.464 -6.233 1.00 0.00 C ATOM 1092 CD2 TRP A 209 -5.398 -1.126 -4.926 1.00 0.00 C ATOM 1093 NE1 TRP A 209 -5.480 -2.532 -6.660 1.00 0.00 N ATOM 1094 CE2 TRP A 209 -6.251 -1.722 -5.872 1.00 0.00 C ATOM 1095 CE3 TRP A 209 -5.937 -0.251 -3.996 1.00 0.00 C ATOM 1096 CZ2 TRP A 209 -7.618 -1.467 -5.911 1.00 0.00 C ATOM 1097 CZ3 TRP A 209 -7.293 0.004 -4.029 1.00 0.00 C ATOM 1098 CH2 TRP A 209 -8.120 -0.601 -4.982 1.00 0.00 C ATOM 0 H TRP A 209 -0.827 -1.069 -3.039 1.00 0.00 H new ATOM 0 HA TRP A 209 -3.559 -1.105 -2.414 1.00 0.00 H new ATOM 0 HB2 TRP A 209 -2.680 -0.174 -4.475 1.00 0.00 H new ATOM 0 HB3 TRP A 209 -1.973 -1.710 -4.934 1.00 0.00 H new ATOM 0 HD1 TRP A 209 -3.358 -3.013 -6.667 1.00 0.00 H new ATOM 0 HE1 TRP A 209 -5.818 -3.096 -7.440 1.00 0.00 H new ATOM 0 HE3 TRP A 209 -5.307 0.223 -3.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 209 -8.256 -1.935 -6.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 209 -7.723 0.682 -3.307 1.00 0.00 H new ATOM 0 HH2 TRP A 209 -9.177 -0.379 -4.983 1.00 0.00 H new ATOM 1109 N ARG A 210 -2.216 -4.004 -3.058 1.00 0.00 N ATOM 1110 CA ARG A 210 -2.414 -5.432 -2.977 1.00 0.00 C ATOM 1111 C ARG A 210 -2.787 -5.840 -1.547 1.00 0.00 C ATOM 1112 O ARG A 210 -3.787 -6.518 -1.331 1.00 0.00 O ATOM 1113 CB ARG A 210 -1.164 -6.186 -3.424 1.00 0.00 C ATOM 1114 CG ARG A 210 -1.361 -7.693 -3.596 1.00 0.00 C ATOM 1115 CD ARG A 210 -2.247 -8.016 -4.804 1.00 0.00 C ATOM 1116 NE ARG A 210 -3.656 -7.566 -4.669 1.00 0.00 N ATOM 1117 CZ ARG A 210 -4.461 -7.247 -5.695 1.00 0.00 C ATOM 1118 NH1 ARG A 210 -4.041 -7.402 -6.940 1.00 0.00 N1+ ATOM 1119 NH2 ARG A 210 -5.678 -6.783 -5.466 1.00 0.00 N ATOM 0 H ARG A 210 -1.266 -3.727 -3.307 1.00 0.00 H new ATOM 0 HA ARG A 210 -3.232 -5.695 -3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -0.821 -5.767 -4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -0.372 -6.017 -2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 210 -0.391 -8.175 -3.717 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -1.812 -8.106 -2.694 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -1.814 -7.553 -5.691 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -2.237 -9.093 -4.969 1.00 0.00 H new ATOM 0 HE ARG A 210 -4.041 -7.494 -3.727 1.00 0.00 H new ATOM 0 HH11 ARG A 210 -3.105 -7.764 -7.121 1.00 0.00 H new ATOM 0 HH12 ARG A 210 -4.653 -7.159 -7.719 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -6.007 -6.667 -4.508 1.00 0.00 H new ATOM 0 HH22 ARG A 210 -6.287 -6.542 -6.248 1.00 0.00 H new ATOM 1133 N GLU A 211 -2.002 -5.402 -0.587 1.00 0.00 N ATOM 1134 CA GLU A 211 -2.239 -5.723 0.815 1.00 0.00 C ATOM 1135 C GLU A 211 -3.562 -5.092 1.294 1.00 0.00 C ATOM 1136 O GLU A 211 -4.346 -5.718 2.005 1.00 0.00 O ATOM 1137 CB GLU A 211 -1.048 -5.264 1.668 1.00 0.00 C ATOM 1138 CG GLU A 211 0.281 -5.879 1.219 1.00 0.00 C ATOM 1139 CD GLU A 211 1.460 -5.455 2.062 1.00 0.00 C ATOM 1140 OE1 GLU A 211 2.064 -4.382 1.795 1.00 0.00 O ATOM 1141 OE2 GLU A 211 1.819 -6.188 2.994 1.00 0.00 O1- ATOM 0 H GLU A 211 -1.183 -4.815 -0.749 1.00 0.00 H new ATOM 0 HA GLU A 211 -2.333 -6.803 0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 211 -0.973 -4.178 1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 211 -1.231 -5.528 2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 211 0.197 -6.965 1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 211 0.468 -5.601 0.182 1.00 0.00 H new ATOM 1148 N PHE A 212 -3.809 -3.874 0.839 1.00 0.00 N ATOM 1149 CA PHE A 212 -5.023 -3.119 1.139 1.00 0.00 C ATOM 1150 C PHE A 212 -6.275 -3.868 0.688 1.00 0.00 C ATOM 1151 O PHE A 212 -7.169 -4.135 1.486 1.00 0.00 O ATOM 1152 CB PHE A 212 -4.938 -1.762 0.429 1.00 0.00 C ATOM 1153 CG PHE A 212 -6.161 -0.899 0.485 1.00 0.00 C ATOM 1154 CD1 PHE A 212 -6.367 -0.039 1.532 1.00 0.00 C ATOM 1155 CD2 PHE A 212 -7.088 -0.935 -0.537 1.00 0.00 C ATOM 1156 CE1 PHE A 212 -7.472 0.769 1.567 1.00 0.00 C ATOM 1157 CE2 PHE A 212 -8.190 -0.129 -0.509 1.00 0.00 C ATOM 1158 CZ PHE A 212 -8.386 0.724 0.545 1.00 0.00 C ATOM 0 H PHE A 212 -3.159 -3.368 0.237 1.00 0.00 H new ATOM 0 HA PHE A 212 -5.098 -2.982 2.218 1.00 0.00 H new ATOM 0 HB2 PHE A 212 -4.107 -1.204 0.859 1.00 0.00 H new ATOM 0 HB3 PHE A 212 -4.694 -1.940 -0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 212 -5.650 0.002 2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 212 -6.940 -1.608 -1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 212 -7.624 1.441 2.399 1.00 0.00 H new ATOM 0 HE2 PHE A 212 -8.906 -0.164 -1.317 1.00 0.00 H new ATOM 0 HZ PHE A 212 -9.259 1.360 0.571 1.00 0.00 H new ATOM 1168 N SER A 213 -6.313 -4.228 -0.586 1.00 0.00 N ATOM 1169 CA SER A 213 -7.474 -4.876 -1.166 1.00 0.00 C ATOM 1170 C SER A 213 -7.749 -6.252 -0.557 1.00 0.00 C ATOM 1171 O SER A 213 -8.896 -6.707 -0.544 1.00 0.00 O ATOM 1172 CB SER A 213 -7.360 -4.928 -2.691 1.00 0.00 C ATOM 1173 OG SER A 213 -6.098 -5.435 -3.090 1.00 0.00 O ATOM 0 H SER A 213 -5.545 -4.080 -1.241 1.00 0.00 H new ATOM 0 HA SER A 213 -8.343 -4.267 -0.918 1.00 0.00 H new ATOM 0 HB2 SER A 213 -8.153 -5.556 -3.097 1.00 0.00 H new ATOM 0 HB3 SER A 213 -7.501 -3.929 -3.104 1.00 0.00 H new ATOM 0 HG SER A 213 -5.445 -4.705 -3.113 1.00 0.00 H new ATOM 1179 N THR A 214 -6.714 -6.882 -0.018 1.00 0.00 N ATOM 1180 CA THR A 214 -6.850 -8.177 0.618 1.00 0.00 C ATOM 1181 C THR A 214 -7.743 -8.073 1.863 1.00 0.00 C ATOM 1182 O THR A 214 -8.654 -8.860 2.048 1.00 0.00 O ATOM 1183 CB THR A 214 -5.466 -8.738 1.021 1.00 0.00 C ATOM 1184 OG1 THR A 214 -4.612 -8.758 -0.134 1.00 0.00 O ATOM 1185 CG2 THR A 214 -5.592 -10.158 1.565 1.00 0.00 C ATOM 0 H THR A 214 -5.764 -6.510 -0.011 1.00 0.00 H new ATOM 0 HA THR A 214 -7.312 -8.856 -0.099 1.00 0.00 H new ATOM 0 HB THR A 214 -5.046 -8.099 1.798 1.00 0.00 H new ATOM 0 HG1 THR A 214 -4.337 -7.843 -0.353 1.00 0.00 H new ATOM 0 HG21 THR A 214 -4.606 -10.531 1.841 1.00 0.00 H new ATOM 0 HG22 THR A 214 -6.238 -10.155 2.443 1.00 0.00 H new ATOM 0 HG23 THR A 214 -6.022 -10.804 0.800 1.00 0.00 H new ATOM 1193 N ASN A 215 -7.524 -7.050 2.654 1.00 0.00 N ATOM 1194 CA ASN A 215 -8.244 -6.904 3.915 1.00 0.00 C ATOM 1195 C ASN A 215 -9.475 -6.012 3.739 1.00 0.00 C ATOM 1196 O ASN A 215 -10.250 -5.800 4.665 1.00 0.00 O ATOM 1197 CB ASN A 215 -7.290 -6.342 4.987 1.00 0.00 C ATOM 1198 CG ASN A 215 -7.870 -6.334 6.399 1.00 0.00 C ATOM 1199 OD1 ASN A 215 -8.461 -5.348 6.846 1.00 0.00 O ATOM 1200 ND2 ASN A 215 -7.698 -7.415 7.105 1.00 0.00 N ATOM 0 H ASN A 215 -6.857 -6.304 2.456 1.00 0.00 H new ATOM 0 HA ASN A 215 -8.599 -7.881 4.242 1.00 0.00 H new ATOM 0 HB2 ASN A 215 -6.373 -6.932 4.986 1.00 0.00 H new ATOM 0 HB3 ASN A 215 -7.014 -5.323 4.714 1.00 0.00 H new ATOM 0 HD21 ASN A 215 -8.057 -7.464 8.058 1.00 0.00 H new ATOM 0 HD22 ASN A 215 -7.204 -8.213 6.704 1.00 0.00 H new ATOM 1207 N ASN A 216 -9.672 -5.532 2.537 1.00 0.00 N ATOM 1208 CA ASN A 216 -10.776 -4.630 2.236 1.00 0.00 C ATOM 1209 C ASN A 216 -12.088 -5.424 2.098 1.00 0.00 C ATOM 1210 O ASN A 216 -12.181 -6.318 1.264 1.00 0.00 O ATOM 1211 CB ASN A 216 -10.488 -3.845 0.925 1.00 0.00 C ATOM 1212 CG ASN A 216 -11.490 -2.717 0.644 1.00 0.00 C ATOM 1213 OD1 ASN A 216 -12.626 -2.772 1.036 1.00 0.00 O ATOM 1214 ND2 ASN A 216 -11.058 -1.683 -0.033 1.00 0.00 N ATOM 0 H ASN A 216 -9.079 -5.749 1.736 1.00 0.00 H new ATOM 0 HA ASN A 216 -10.879 -3.919 3.056 1.00 0.00 H new ATOM 0 HB2 ASN A 216 -9.485 -3.422 0.979 1.00 0.00 H new ATOM 0 HB3 ASN A 216 -10.495 -4.542 0.087 1.00 0.00 H new ATOM 0 HD21 ASN A 216 -11.688 -0.907 -0.236 1.00 0.00 H new ATOM 0 HD22 ASN A 216 -10.091 -1.654 -0.357 1.00 0.00 H new