USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=17 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= -2.97 K(o=-5.9,f=-11!) USER MOD Set 1.2: A 201 MET CE :methyl -179:sc= -2.93! (180deg=-2.96!) USER MOD Set 2.1: A 172 TYR OH : rot -81:sc= 0.0969 USER MOD Set 2.2: A 215 ASN : amide:sc= -0.296 X(o=-0.2,f=-0.53) USER MOD Set 3.1: A 165 HIS : +bothHN:sc= 0.03 K(o=1.2,f=-3.2!) USER MOD Set 3.2: A 208 LYS NZ :NH3+ -160:sc= 1.13 (180deg=0.933) USER MOD Single : A 150 SER OG : rot 31:sc= 0.258 USER MOD Single : A 151 SER OG : rot 114:sc= 1.31 USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=0.075) USER MOD Single : A 160 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot -75:sc= 1.26 USER MOD Single : A 174 THR OG1 : rot -93:sc= 1.27 USER MOD Single : A 176 THR OG1 : rot 180:sc= 0.0696 USER MOD Single : A 177 ASN : amide:sc= 0.0409 K(o=0.041,f=-4.5!) USER MOD Single : A 178 TYR OH : rot -160:sc= 0.445 USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 SER OG : rot 70:sc= 1.25 USER MOD Single : A 183 GLN :FLIP amide:sc= -1.06 F(o=-3!,f=-1.1) USER MOD Single : A 192 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.15) USER MOD Single : A 195 LYS NZ :NH3+ 168:sc=-0.00851 (180deg=-0.148) USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 203 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 213 SER OG : rot 74:sc= 0.83 USER MOD Single : A 214 THR OG1 : rot 70:sc= 1.26 USER MOD Single : A 216 ASN : amide:sc= -1.25 K(o=-1.3,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 145 N SER A 150 6.907 -7.985 0.386 1.00 0.00 N ATOM 146 CA SER A 150 5.827 -7.209 0.948 1.00 0.00 C ATOM 147 C SER A 150 6.185 -5.717 0.833 1.00 0.00 C ATOM 148 O SER A 150 7.358 -5.383 0.619 1.00 0.00 O ATOM 149 CB SER A 150 5.624 -7.615 2.401 1.00 0.00 C ATOM 150 OG SER A 150 5.541 -9.044 2.515 1.00 0.00 O ATOM 0 HA SER A 150 4.897 -7.391 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.449 -7.243 3.008 1.00 0.00 H new ATOM 0 HB3 SER A 150 4.713 -7.159 2.789 1.00 0.00 H new ATOM 0 HG SER A 150 6.093 -9.460 1.821 1.00 0.00 H new ATOM 156 N SER A 151 5.204 -4.846 0.988 1.00 0.00 N ATOM 157 CA SER A 151 5.382 -3.405 0.856 1.00 0.00 C ATOM 158 C SER A 151 6.497 -2.877 1.766 1.00 0.00 C ATOM 159 O SER A 151 7.383 -2.130 1.318 1.00 0.00 O ATOM 160 CB SER A 151 4.079 -2.752 1.221 1.00 0.00 C ATOM 161 OG SER A 151 3.010 -3.454 0.626 1.00 0.00 O ATOM 0 H SER A 151 4.247 -5.120 1.212 1.00 0.00 H new ATOM 0 HA SER A 151 5.672 -3.174 -0.169 1.00 0.00 H new ATOM 0 HB2 SER A 151 3.959 -2.739 2.304 1.00 0.00 H new ATOM 0 HB3 SER A 151 4.075 -1.714 0.887 1.00 0.00 H new ATOM 0 HG SER A 151 2.459 -3.864 1.325 1.00 0.00 H new ATOM 167 N ALA A 152 6.471 -3.300 3.029 1.00 0.00 N ATOM 168 CA ALA A 152 7.473 -2.901 3.995 1.00 0.00 C ATOM 169 C ALA A 152 8.811 -3.465 3.593 1.00 0.00 C ATOM 170 O ALA A 152 9.805 -2.783 3.630 1.00 0.00 O ATOM 171 CB ALA A 152 7.104 -3.381 5.392 1.00 0.00 C ATOM 0 H ALA A 152 5.756 -3.925 3.402 1.00 0.00 H new ATOM 0 HA ALA A 152 7.525 -1.812 4.014 1.00 0.00 H new ATOM 0 HB1 ALA A 152 7.873 -3.069 6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 152 6.146 -2.950 5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 152 7.029 -4.468 5.395 1.00 0.00 H new ATOM 177 N GLN A 153 8.794 -4.703 3.130 1.00 0.00 N ATOM 178 CA GLN A 153 9.993 -5.433 2.754 1.00 0.00 C ATOM 179 C GLN A 153 10.704 -4.769 1.568 1.00 0.00 C ATOM 180 O GLN A 153 11.935 -4.733 1.516 1.00 0.00 O ATOM 181 CB GLN A 153 9.627 -6.889 2.457 1.00 0.00 C ATOM 182 CG GLN A 153 10.794 -7.802 2.144 1.00 0.00 C ATOM 183 CD GLN A 153 10.348 -9.242 1.994 1.00 0.00 C ATOM 184 OE1 GLN A 153 9.204 -9.515 1.597 1.00 0.00 O ATOM 185 NE2 GLN A 153 11.235 -10.164 2.260 1.00 0.00 N ATOM 0 H GLN A 153 7.935 -5.237 3.003 1.00 0.00 H new ATOM 0 HA GLN A 153 10.698 -5.414 3.585 1.00 0.00 H new ATOM 0 HB2 GLN A 153 9.091 -7.294 3.316 1.00 0.00 H new ATOM 0 HB3 GLN A 153 8.937 -6.907 1.613 1.00 0.00 H new ATOM 0 HG2 GLN A 153 11.279 -7.473 1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 153 11.536 -7.731 2.939 1.00 0.00 H new ATOM 0 HE21 GLN A 153 12.165 -9.899 2.584 1.00 0.00 H new ATOM 0 HE22 GLN A 153 10.997 -11.149 2.143 1.00 0.00 H new ATOM 194 N LEU A 154 9.919 -4.237 0.642 1.00 0.00 N ATOM 195 CA LEU A 154 10.439 -3.503 -0.508 1.00 0.00 C ATOM 196 C LEU A 154 11.092 -2.212 -0.061 1.00 0.00 C ATOM 197 O LEU A 154 12.242 -1.951 -0.362 1.00 0.00 O ATOM 198 CB LEU A 154 9.308 -3.169 -1.495 1.00 0.00 C ATOM 199 CG LEU A 154 8.704 -4.330 -2.279 1.00 0.00 C ATOM 200 CD1 LEU A 154 7.468 -3.862 -3.028 1.00 0.00 C ATOM 201 CD2 LEU A 154 9.720 -4.870 -3.269 1.00 0.00 C ATOM 0 H LEU A 154 8.901 -4.301 0.665 1.00 0.00 H new ATOM 0 HA LEU A 154 11.177 -4.136 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 154 8.506 -2.683 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 154 9.688 -2.439 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 154 8.426 -5.119 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 154 7.043 -4.697 -3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 154 6.732 -3.488 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 154 7.742 -3.066 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 154 9.281 -5.699 -3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 154 10.008 -4.080 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 154 10.601 -5.220 -2.732 1.00 0.00 H new ATOM 213 N LEU A 155 10.360 -1.442 0.705 1.00 0.00 N ATOM 214 CA LEU A 155 10.802 -0.132 1.131 1.00 0.00 C ATOM 215 C LEU A 155 12.002 -0.253 2.094 1.00 0.00 C ATOM 216 O LEU A 155 12.919 0.576 2.082 1.00 0.00 O ATOM 217 CB LEU A 155 9.618 0.592 1.773 1.00 0.00 C ATOM 218 CG LEU A 155 9.710 2.102 1.940 1.00 0.00 C ATOM 219 CD1 LEU A 155 9.968 2.781 0.601 1.00 0.00 C ATOM 220 CD2 LEU A 155 8.409 2.608 2.514 1.00 0.00 C ATOM 0 H LEU A 155 9.438 -1.704 1.053 1.00 0.00 H new ATOM 0 HA LEU A 155 11.147 0.450 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 155 8.731 0.375 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 155 9.455 0.156 2.759 1.00 0.00 H new ATOM 0 HG LEU A 155 10.538 2.334 2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 155 10.030 3.860 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 155 10.906 2.417 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 155 9.153 2.553 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 155 8.462 3.690 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 155 7.592 2.361 1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 155 8.232 2.140 3.482 1.00 0.00 H new ATOM 232 N GLU A 156 11.997 -1.315 2.881 1.00 0.00 N ATOM 233 CA GLU A 156 13.061 -1.626 3.830 1.00 0.00 C ATOM 234 C GLU A 156 14.338 -2.011 3.085 1.00 0.00 C ATOM 235 O GLU A 156 15.442 -1.697 3.531 1.00 0.00 O ATOM 236 CB GLU A 156 12.628 -2.803 4.687 1.00 0.00 C ATOM 237 CG GLU A 156 13.530 -3.119 5.855 1.00 0.00 C ATOM 238 CD GLU A 156 13.497 -2.048 6.904 1.00 0.00 C ATOM 239 OE1 GLU A 156 12.429 -1.843 7.533 1.00 0.00 O1- ATOM 240 OE2 GLU A 156 14.529 -1.393 7.130 1.00 0.00 O ATOM 0 H GLU A 156 11.241 -2.000 2.881 1.00 0.00 H new ATOM 0 HA GLU A 156 13.253 -0.749 4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 156 11.626 -2.605 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 156 12.560 -3.687 4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 156 13.228 -4.068 6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 156 14.552 -3.244 5.498 1.00 0.00 H new ATOM 247 N ASP A 157 14.164 -2.658 1.930 1.00 0.00 N ATOM 248 CA ASP A 157 15.279 -3.139 1.098 1.00 0.00 C ATOM 249 C ASP A 157 16.107 -1.954 0.655 1.00 0.00 C ATOM 250 O ASP A 157 17.328 -2.008 0.594 1.00 0.00 O ATOM 251 CB ASP A 157 14.712 -3.869 -0.142 1.00 0.00 C ATOM 252 CG ASP A 157 15.741 -4.617 -0.983 1.00 0.00 C ATOM 253 OD1 ASP A 157 16.570 -3.987 -1.663 1.00 0.00 O ATOM 254 OD2 ASP A 157 15.684 -5.883 -1.011 1.00 0.00 O1- ATOM 0 H ASP A 157 13.244 -2.866 1.541 1.00 0.00 H new ATOM 0 HA ASP A 157 15.901 -3.828 1.669 1.00 0.00 H new ATOM 0 HB2 ASP A 157 13.953 -4.578 0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 157 14.210 -3.138 -0.776 1.00 0.00 H new ATOM 259 N TRP A 158 15.421 -0.847 0.439 1.00 0.00 N ATOM 260 CA TRP A 158 16.043 0.364 -0.054 1.00 0.00 C ATOM 261 C TRP A 158 16.446 1.284 1.100 1.00 0.00 C ATOM 262 O TRP A 158 16.796 2.448 0.885 1.00 0.00 O ATOM 263 CB TRP A 158 15.091 1.097 -1.010 1.00 0.00 C ATOM 264 CG TRP A 158 14.540 0.211 -2.088 1.00 0.00 C ATOM 265 CD1 TRP A 158 15.217 -0.734 -2.797 1.00 0.00 C ATOM 266 CD2 TRP A 158 13.200 0.196 -2.582 1.00 0.00 C ATOM 267 NE1 TRP A 158 14.378 -1.350 -3.683 1.00 0.00 N ATOM 268 CE2 TRP A 158 13.135 -0.795 -3.578 1.00 0.00 C ATOM 269 CE3 TRP A 158 12.049 0.919 -2.275 1.00 0.00 C ATOM 270 CZ2 TRP A 158 11.963 -1.084 -4.266 1.00 0.00 C ATOM 271 CZ3 TRP A 158 10.889 0.634 -2.961 1.00 0.00 C ATOM 272 CH2 TRP A 158 10.853 -0.360 -3.945 1.00 0.00 C ATOM 0 H TRP A 158 14.417 -0.764 0.601 1.00 0.00 H new ATOM 0 HA TRP A 158 16.946 0.085 -0.597 1.00 0.00 H new ATOM 0 HB2 TRP A 158 14.265 1.519 -0.437 1.00 0.00 H new ATOM 0 HB3 TRP A 158 15.620 1.932 -1.470 1.00 0.00 H new ATOM 0 HD1 TRP A 158 16.265 -0.964 -2.677 1.00 0.00 H new ATOM 0 HE1 TRP A 158 14.639 -2.103 -4.320 1.00 0.00 H new ATOM 0 HE3 TRP A 158 12.066 1.686 -1.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 158 11.932 -1.852 -5.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 158 9.990 1.188 -2.735 1.00 0.00 H new ATOM 0 HH2 TRP A 158 9.926 -0.558 -4.462 1.00 0.00 H new ATOM 283 N GLY A 159 16.383 0.759 2.315 1.00 0.00 N ATOM 284 CA GLY A 159 16.762 1.512 3.502 1.00 0.00 C ATOM 285 C GLY A 159 15.848 2.691 3.773 1.00 0.00 C ATOM 286 O GLY A 159 16.285 3.727 4.295 1.00 0.00 O ATOM 0 H GLY A 159 16.070 -0.193 2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 159 16.753 0.847 4.365 1.00 0.00 H new ATOM 0 HA3 GLY A 159 17.785 1.871 3.386 1.00 0.00 H new ATOM 290 N MET A 160 14.593 2.551 3.421 1.00 0.00 N ATOM 291 CA MET A 160 13.630 3.612 3.620 1.00 0.00 C ATOM 292 C MET A 160 12.689 3.252 4.755 1.00 0.00 C ATOM 293 O MET A 160 12.705 2.121 5.247 1.00 0.00 O ATOM 294 CB MET A 160 12.840 3.888 2.341 1.00 0.00 C ATOM 295 CG MET A 160 13.667 4.386 1.165 1.00 0.00 C ATOM 296 SD MET A 160 14.474 5.970 1.485 1.00 0.00 S ATOM 297 CE MET A 160 15.223 6.285 -0.111 1.00 0.00 C ATOM 0 H MET A 160 14.211 1.708 2.992 1.00 0.00 H new ATOM 0 HA MET A 160 14.172 4.521 3.881 1.00 0.00 H new ATOM 0 HB2 MET A 160 12.329 2.972 2.044 1.00 0.00 H new ATOM 0 HB3 MET A 160 12.069 4.626 2.561 1.00 0.00 H new ATOM 0 HG2 MET A 160 14.425 3.642 0.921 1.00 0.00 H new ATOM 0 HG3 MET A 160 13.023 4.483 0.291 1.00 0.00 H new ATOM 0 HE1 MET A 160 15.762 7.232 -0.079 1.00 0.00 H new ATOM 0 HE2 MET A 160 15.917 5.480 -0.352 1.00 0.00 H new ATOM 0 HE3 MET A 160 14.446 6.335 -0.874 1.00 0.00 H new ATOM 307 N GLU A 161 11.860 4.195 5.146 1.00 0.00 N ATOM 308 CA GLU A 161 10.947 4.011 6.265 1.00 0.00 C ATOM 309 C GLU A 161 9.535 3.746 5.792 1.00 0.00 C ATOM 310 O GLU A 161 9.005 4.504 4.974 1.00 0.00 O ATOM 311 CB GLU A 161 10.904 5.246 7.152 1.00 0.00 C ATOM 312 CG GLU A 161 12.162 5.579 7.909 1.00 0.00 C ATOM 313 CD GLU A 161 11.935 6.769 8.805 1.00 0.00 C ATOM 314 OE1 GLU A 161 11.218 6.644 9.812 1.00 0.00 O1- ATOM 315 OE2 GLU A 161 12.433 7.865 8.504 1.00 0.00 O ATOM 0 H GLU A 161 11.796 5.111 4.702 1.00 0.00 H new ATOM 0 HA GLU A 161 11.323 3.154 6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 161 10.644 6.103 6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 161 10.097 5.119 7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 161 12.474 4.721 8.505 1.00 0.00 H new ATOM 0 HG3 GLU A 161 12.970 5.791 7.209 1.00 0.00 H new ATOM 322 N ASP A 162 8.936 2.693 6.305 1.00 0.00 N ATOM 323 CA ASP A 162 7.532 2.384 6.036 1.00 0.00 C ATOM 324 C ASP A 162 6.689 2.887 7.198 1.00 0.00 C ATOM 325 O ASP A 162 7.043 2.684 8.354 1.00 0.00 O ATOM 326 CB ASP A 162 7.320 0.874 5.820 1.00 0.00 C ATOM 327 CG ASP A 162 5.858 0.494 5.629 1.00 0.00 C ATOM 328 OD1 ASP A 162 5.232 0.922 4.642 1.00 0.00 O1- ATOM 329 OD2 ASP A 162 5.307 -0.245 6.472 1.00 0.00 O ATOM 0 H ASP A 162 9.399 2.024 6.919 1.00 0.00 H new ATOM 0 HA ASP A 162 7.227 2.883 5.116 1.00 0.00 H new ATOM 0 HB2 ASP A 162 7.888 0.555 4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 162 7.721 0.331 6.676 1.00 0.00 H new ATOM 334 N ILE A 163 5.612 3.571 6.888 1.00 0.00 N ATOM 335 CA ILE A 163 4.758 4.188 7.902 1.00 0.00 C ATOM 336 C ILE A 163 3.951 3.096 8.594 1.00 0.00 C ATOM 337 O ILE A 163 3.318 2.285 7.920 1.00 0.00 O ATOM 338 CB ILE A 163 3.725 5.243 7.297 1.00 0.00 C ATOM 339 CG1 ILE A 163 4.402 6.374 6.509 1.00 0.00 C ATOM 340 CG2 ILE A 163 2.870 5.871 8.397 1.00 0.00 C ATOM 341 CD1 ILE A 163 5.000 5.979 5.180 1.00 0.00 C ATOM 0 H ILE A 163 5.295 3.721 5.930 1.00 0.00 H new ATOM 0 HA ILE A 163 5.417 4.718 8.589 1.00 0.00 H new ATOM 0 HB ILE A 163 3.103 4.671 6.608 1.00 0.00 H new ATOM 0 HG12 ILE A 163 3.668 7.162 6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 163 5.190 6.802 7.128 1.00 0.00 H new ATOM 0 HG21 ILE A 163 2.176 6.586 7.955 1.00 0.00 H new ATOM 0 HG22 ILE A 163 2.309 5.091 8.912 1.00 0.00 H new ATOM 0 HG23 ILE A 163 3.515 6.385 9.110 1.00 0.00 H new ATOM 0 HD11 ILE A 163 5.451 6.853 4.710 1.00 0.00 H new ATOM 0 HD12 ILE A 163 5.763 5.217 5.337 1.00 0.00 H new ATOM 0 HD13 ILE A 163 4.218 5.582 4.533 1.00 0.00 H new ATOM 353 N ASP A 164 3.900 3.132 9.918 1.00 0.00 N ATOM 354 CA ASP A 164 3.149 2.138 10.749 1.00 0.00 C ATOM 355 C ASP A 164 1.629 2.382 10.680 1.00 0.00 C ATOM 356 O ASP A 164 0.862 1.920 11.536 1.00 0.00 O ATOM 357 CB ASP A 164 3.594 2.199 12.221 1.00 0.00 C ATOM 358 CG ASP A 164 5.039 1.816 12.446 1.00 0.00 C ATOM 359 OD1 ASP A 164 5.349 0.614 12.532 1.00 0.00 O ATOM 360 OD2 ASP A 164 5.897 2.726 12.576 1.00 0.00 O1- ATOM 0 H ASP A 164 4.373 3.847 10.471 1.00 0.00 H new ATOM 0 HA ASP A 164 3.373 1.152 10.341 1.00 0.00 H new ATOM 0 HB2 ASP A 164 3.435 3.210 12.596 1.00 0.00 H new ATOM 0 HB3 ASP A 164 2.958 1.537 12.809 1.00 0.00 H new ATOM 365 N HIS A 165 1.222 3.075 9.645 1.00 0.00 N ATOM 366 CA HIS A 165 -0.143 3.482 9.404 1.00 0.00 C ATOM 367 C HIS A 165 -1.034 2.265 9.185 1.00 0.00 C ATOM 368 O HIS A 165 -0.573 1.198 8.752 1.00 0.00 O ATOM 369 CB HIS A 165 -0.193 4.426 8.166 1.00 0.00 C ATOM 370 CG HIS A 165 -0.085 3.751 6.805 1.00 0.00 C ATOM 371 ND1 HIS A 165 1.075 3.193 6.302 1.00 0.00 N ATOM 372 CD2 HIS A 165 -1.031 3.557 5.847 1.00 0.00 C ATOM 373 CE1 HIS A 165 0.807 2.704 5.095 1.00 0.00 C ATOM 374 NE2 HIS A 165 -0.451 2.894 4.767 1.00 0.00 N ATOM 0 H HIS A 165 1.862 3.385 8.914 1.00 0.00 H new ATOM 0 HA HIS A 165 -0.514 4.019 10.277 1.00 0.00 H new ATOM 0 HB2 HIS A 165 -1.128 4.985 8.198 1.00 0.00 H new ATOM 0 HB3 HIS A 165 0.616 5.151 8.255 1.00 0.00 H new ATOM 0 HD1 HIS A 165 1.979 3.162 6.774 1.00 0.00 H new ATOM 0 HD2 HIS A 165 -2.064 3.866 5.913 1.00 0.00 H new ATOM 0 HE1 HIS A 165 1.532 2.212 4.464 1.00 0.00 H new ATOM 0 HE2 HIS A 165 -0.909 2.614 3.900 1.00 0.00 H new ATOM 382 N VAL A 166 -2.274 2.429 9.463 1.00 0.00 N ATOM 383 CA VAL A 166 -3.233 1.390 9.299 1.00 0.00 C ATOM 384 C VAL A 166 -4.357 1.871 8.402 1.00 0.00 C ATOM 385 O VAL A 166 -4.862 2.990 8.567 1.00 0.00 O ATOM 386 CB VAL A 166 -3.772 0.886 10.684 1.00 0.00 C ATOM 387 CG1 VAL A 166 -4.279 2.040 11.540 1.00 0.00 C ATOM 388 CG2 VAL A 166 -4.868 -0.161 10.506 1.00 0.00 C ATOM 0 H VAL A 166 -2.663 3.303 9.818 1.00 0.00 H new ATOM 0 HA VAL A 166 -2.750 0.537 8.822 1.00 0.00 H new ATOM 0 HB VAL A 166 -2.934 0.421 11.202 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -4.645 1.654 12.492 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -3.466 2.743 11.722 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -5.090 2.550 11.020 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -5.220 -0.489 11.484 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -5.698 0.273 9.949 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -4.470 -1.015 9.958 1.00 0.00 H new ATOM 398 N PHE A 167 -4.696 1.073 7.412 1.00 0.00 N ATOM 399 CA PHE A 167 -5.805 1.386 6.555 1.00 0.00 C ATOM 400 C PHE A 167 -7.078 1.194 7.339 1.00 0.00 C ATOM 401 O PHE A 167 -7.434 0.071 7.714 1.00 0.00 O ATOM 402 CB PHE A 167 -5.812 0.516 5.297 1.00 0.00 C ATOM 403 CG PHE A 167 -4.638 0.737 4.381 1.00 0.00 C ATOM 404 CD1 PHE A 167 -4.587 1.851 3.564 1.00 0.00 C ATOM 405 CD2 PHE A 167 -3.603 -0.179 4.320 1.00 0.00 C ATOM 406 CE1 PHE A 167 -3.527 2.049 2.706 1.00 0.00 C ATOM 407 CE2 PHE A 167 -2.534 0.012 3.465 1.00 0.00 C ATOM 408 CZ PHE A 167 -2.497 1.127 2.656 1.00 0.00 C ATOM 0 H PHE A 167 -4.215 0.203 7.186 1.00 0.00 H new ATOM 0 HA PHE A 167 -5.718 2.420 6.222 1.00 0.00 H new ATOM 0 HB2 PHE A 167 -5.832 -0.532 5.595 1.00 0.00 H new ATOM 0 HB3 PHE A 167 -6.731 0.708 4.743 1.00 0.00 H new ATOM 0 HD1 PHE A 167 -5.388 2.575 3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 167 -3.631 -1.056 4.950 1.00 0.00 H new ATOM 0 HE1 PHE A 167 -3.500 2.924 2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 167 -1.731 -0.710 3.431 1.00 0.00 H new ATOM 0 HZ PHE A 167 -1.665 1.281 1.984 1.00 0.00 H new ATOM 418 N SER A 168 -7.729 2.267 7.632 1.00 0.00 N ATOM 419 CA SER A 168 -8.920 2.203 8.419 1.00 0.00 C ATOM 420 C SER A 168 -10.115 1.857 7.540 1.00 0.00 C ATOM 421 O SER A 168 -9.986 1.774 6.307 1.00 0.00 O ATOM 422 CB SER A 168 -9.126 3.521 9.154 1.00 0.00 C ATOM 423 OG SER A 168 -9.337 4.609 8.251 1.00 0.00 O ATOM 0 H SER A 168 -7.458 3.205 7.338 1.00 0.00 H new ATOM 0 HA SER A 168 -8.820 1.414 9.164 1.00 0.00 H new ATOM 0 HB2 SER A 168 -9.982 3.433 9.823 1.00 0.00 H new ATOM 0 HB3 SER A 168 -8.256 3.729 9.776 1.00 0.00 H new ATOM 0 HG SER A 168 -8.486 4.857 7.833 1.00 0.00 H new ATOM 429 N GLU A 169 -11.265 1.672 8.153 1.00 0.00 N ATOM 430 CA GLU A 169 -12.478 1.341 7.429 1.00 0.00 C ATOM 431 C GLU A 169 -12.843 2.491 6.514 1.00 0.00 C ATOM 432 O GLU A 169 -13.250 2.280 5.376 1.00 0.00 O ATOM 433 CB GLU A 169 -13.648 1.004 8.374 1.00 0.00 C ATOM 434 CG GLU A 169 -13.433 -0.227 9.270 1.00 0.00 C ATOM 435 CD GLU A 169 -12.328 -0.040 10.289 1.00 0.00 C ATOM 436 OE1 GLU A 169 -12.335 0.992 11.013 1.00 0.00 O1- ATOM 437 OE2 GLU A 169 -11.400 -0.883 10.339 1.00 0.00 O ATOM 0 H GLU A 169 -11.387 1.746 9.163 1.00 0.00 H new ATOM 0 HA GLU A 169 -12.287 0.446 6.838 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -13.840 1.868 9.011 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -14.544 0.845 7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -14.363 -0.456 9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -13.198 -1.087 8.643 1.00 0.00 H new ATOM 444 N GLU A 170 -12.631 3.705 7.008 1.00 0.00 N ATOM 445 CA GLU A 170 -12.833 4.913 6.218 1.00 0.00 C ATOM 446 C GLU A 170 -11.972 4.875 4.964 1.00 0.00 C ATOM 447 O GLU A 170 -12.438 5.189 3.867 1.00 0.00 O ATOM 448 CB GLU A 170 -12.484 6.149 7.033 1.00 0.00 C ATOM 449 CG GLU A 170 -13.402 6.401 8.209 1.00 0.00 C ATOM 450 CD GLU A 170 -14.806 6.684 7.770 1.00 0.00 C ATOM 451 OE1 GLU A 170 -15.112 7.843 7.452 1.00 0.00 O ATOM 452 OE2 GLU A 170 -15.629 5.761 7.740 1.00 0.00 O1- ATOM 0 H GLU A 170 -12.316 3.879 7.962 1.00 0.00 H new ATOM 0 HA GLU A 170 -13.884 4.959 5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -11.462 6.051 7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -12.506 7.020 6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -13.395 5.532 8.867 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -13.026 7.244 8.789 1.00 0.00 H new ATOM 459 N ASP A 171 -10.728 4.443 5.123 1.00 0.00 N ATOM 460 CA ASP A 171 -9.788 4.352 4.013 1.00 0.00 C ATOM 461 C ASP A 171 -10.245 3.293 3.032 1.00 0.00 C ATOM 462 O ASP A 171 -10.277 3.537 1.832 1.00 0.00 O ATOM 463 CB ASP A 171 -8.340 4.052 4.475 1.00 0.00 C ATOM 464 CG ASP A 171 -7.743 5.120 5.375 1.00 0.00 C ATOM 465 OD1 ASP A 171 -7.647 6.282 4.962 1.00 0.00 O1- ATOM 466 OD2 ASP A 171 -7.376 4.800 6.550 1.00 0.00 O ATOM 0 H ASP A 171 -10.343 4.147 6.020 1.00 0.00 H new ATOM 0 HA ASP A 171 -9.774 5.328 3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 171 -8.329 3.099 5.003 1.00 0.00 H new ATOM 0 HB3 ASP A 171 -7.706 3.937 3.596 1.00 0.00 H new ATOM 471 N TYR A 172 -10.682 2.144 3.558 1.00 0.00 N ATOM 472 CA TYR A 172 -11.144 1.025 2.730 1.00 0.00 C ATOM 473 C TYR A 172 -12.328 1.406 1.860 1.00 0.00 C ATOM 474 O TYR A 172 -12.462 0.943 0.740 1.00 0.00 O ATOM 475 CB TYR A 172 -11.518 -0.203 3.580 1.00 0.00 C ATOM 476 CG TYR A 172 -10.352 -0.944 4.208 1.00 0.00 C ATOM 477 CD1 TYR A 172 -9.220 -1.243 3.466 1.00 0.00 C ATOM 478 CD2 TYR A 172 -10.388 -1.357 5.530 1.00 0.00 C ATOM 479 CE1 TYR A 172 -8.163 -1.924 4.015 1.00 0.00 C ATOM 480 CE2 TYR A 172 -9.332 -2.044 6.086 1.00 0.00 C ATOM 481 CZ TYR A 172 -8.222 -2.324 5.322 1.00 0.00 C ATOM 482 OH TYR A 172 -7.162 -3.006 5.874 1.00 0.00 O ATOM 0 H TYR A 172 -10.725 1.964 4.561 1.00 0.00 H new ATOM 0 HA TYR A 172 -10.304 0.768 2.085 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -12.191 0.119 4.374 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -12.074 -0.901 2.954 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -9.169 -0.933 2.433 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -11.257 -1.137 6.133 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -7.289 -2.143 3.419 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -9.375 -2.362 7.117 1.00 0.00 H new ATOM 0 HH TYR A 172 -7.212 -3.951 5.618 1.00 0.00 H new ATOM 492 N ARG A 173 -13.172 2.266 2.376 1.00 0.00 N ATOM 493 CA ARG A 173 -14.368 2.665 1.661 1.00 0.00 C ATOM 494 C ARG A 173 -14.103 3.821 0.707 1.00 0.00 C ATOM 495 O ARG A 173 -14.906 4.091 -0.185 1.00 0.00 O ATOM 496 CB ARG A 173 -15.452 3.074 2.638 1.00 0.00 C ATOM 497 CG ARG A 173 -15.771 2.028 3.674 1.00 0.00 C ATOM 498 CD ARG A 173 -16.888 2.492 4.588 1.00 0.00 C ATOM 499 NE ARG A 173 -18.148 2.710 3.862 1.00 0.00 N ATOM 500 CZ ARG A 173 -19.139 3.538 4.239 1.00 0.00 C ATOM 501 NH1 ARG A 173 -19.037 4.255 5.356 1.00 0.00 N1+ ATOM 502 NH2 ARG A 173 -20.231 3.636 3.484 1.00 0.00 N ATOM 0 H ARG A 173 -13.056 2.706 3.289 1.00 0.00 H new ATOM 0 HA ARG A 173 -14.692 1.804 1.077 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -15.144 3.989 3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -16.359 3.307 2.081 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -16.061 1.100 3.182 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -14.880 1.811 4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -17.046 1.750 5.371 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -16.590 3.417 5.081 1.00 0.00 H new ATOM 0 HE ARG A 173 -18.282 2.187 2.996 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -18.201 4.180 5.936 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -19.795 4.880 5.632 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -20.311 3.086 2.629 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -20.988 4.261 3.761 1.00 0.00 H new ATOM 516 N THR A 174 -13.003 4.505 0.889 1.00 0.00 N ATOM 517 CA THR A 174 -12.728 5.663 0.067 1.00 0.00 C ATOM 518 C THR A 174 -11.726 5.395 -1.052 1.00 0.00 C ATOM 519 O THR A 174 -11.762 6.047 -2.105 1.00 0.00 O ATOM 520 CB THR A 174 -12.323 6.900 0.910 1.00 0.00 C ATOM 521 OG1 THR A 174 -11.309 6.557 1.883 1.00 0.00 O ATOM 522 CG2 THR A 174 -13.533 7.487 1.617 1.00 0.00 C ATOM 0 H THR A 174 -12.291 4.288 1.586 1.00 0.00 H new ATOM 0 HA THR A 174 -13.673 5.895 -0.424 1.00 0.00 H new ATOM 0 HB THR A 174 -11.914 7.645 0.227 1.00 0.00 H new ATOM 0 HG1 THR A 174 -11.737 6.319 2.732 1.00 0.00 H new ATOM 0 HG21 THR A 174 -13.227 8.354 2.203 1.00 0.00 H new ATOM 0 HG22 THR A 174 -14.274 7.792 0.878 1.00 0.00 H new ATOM 0 HG23 THR A 174 -13.967 6.737 2.278 1.00 0.00 H new ATOM 530 N LEU A 175 -10.853 4.441 -0.853 1.00 0.00 N ATOM 531 CA LEU A 175 -9.858 4.127 -1.847 1.00 0.00 C ATOM 532 C LEU A 175 -10.369 2.969 -2.709 1.00 0.00 C ATOM 533 O LEU A 175 -9.902 1.847 -2.610 1.00 0.00 O ATOM 534 CB LEU A 175 -8.521 3.780 -1.169 1.00 0.00 C ATOM 535 CG LEU A 175 -8.030 4.786 -0.105 1.00 0.00 C ATOM 536 CD1 LEU A 175 -6.738 4.323 0.541 1.00 0.00 C ATOM 537 CD2 LEU A 175 -7.866 6.173 -0.694 1.00 0.00 C ATOM 0 H LEU A 175 -10.811 3.867 -0.011 1.00 0.00 H new ATOM 0 HA LEU A 175 -9.682 4.991 -2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 175 -8.616 2.800 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 175 -7.756 3.692 -1.940 1.00 0.00 H new ATOM 0 HG LEU A 175 -8.794 4.835 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 175 -6.421 5.054 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 175 -6.898 3.359 1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 175 -5.966 4.222 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 175 -7.519 6.858 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 175 -7.137 6.141 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 175 -8.824 6.519 -1.082 1.00 0.00 H new ATOM 549 N THR A 176 -11.363 3.262 -3.519 1.00 0.00 N ATOM 550 CA THR A 176 -12.050 2.265 -4.317 1.00 0.00 C ATOM 551 C THR A 176 -11.296 1.882 -5.599 1.00 0.00 C ATOM 552 O THR A 176 -11.670 0.924 -6.295 1.00 0.00 O ATOM 553 CB THR A 176 -13.460 2.767 -4.649 1.00 0.00 C ATOM 554 OG1 THR A 176 -13.382 4.157 -5.041 1.00 0.00 O ATOM 555 CG2 THR A 176 -14.383 2.631 -3.444 1.00 0.00 C ATOM 0 H THR A 176 -11.722 4.208 -3.645 1.00 0.00 H new ATOM 0 HA THR A 176 -12.104 1.354 -3.721 1.00 0.00 H new ATOM 0 HB THR A 176 -13.866 2.166 -5.462 1.00 0.00 H new ATOM 0 HG1 THR A 176 -14.279 4.487 -5.257 1.00 0.00 H new ATOM 0 HG21 THR A 176 -15.377 2.994 -3.705 1.00 0.00 H new ATOM 0 HG22 THR A 176 -14.445 1.583 -3.149 1.00 0.00 H new ATOM 0 HG23 THR A 176 -13.988 3.219 -2.615 1.00 0.00 H new ATOM 563 N ASN A 177 -10.269 2.621 -5.921 1.00 0.00 N ATOM 564 CA ASN A 177 -9.455 2.331 -7.083 1.00 0.00 C ATOM 565 C ASN A 177 -8.018 2.665 -6.762 1.00 0.00 C ATOM 566 O ASN A 177 -7.752 3.426 -5.808 1.00 0.00 O ATOM 567 CB ASN A 177 -9.929 3.094 -8.358 1.00 0.00 C ATOM 568 CG ASN A 177 -9.733 4.607 -8.307 1.00 0.00 C ATOM 569 OD1 ASN A 177 -9.789 5.218 -7.262 1.00 0.00 O ATOM 570 ND2 ASN A 177 -9.493 5.212 -9.437 1.00 0.00 N ATOM 0 H ASN A 177 -9.969 3.439 -5.391 1.00 0.00 H new ATOM 0 HA ASN A 177 -9.555 1.270 -7.313 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -9.391 2.701 -9.221 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -10.986 2.884 -8.518 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -9.348 6.221 -9.454 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -9.451 4.676 -10.304 1.00 0.00 H new ATOM 577 N TYR A 178 -7.095 2.111 -7.534 1.00 0.00 N ATOM 578 CA TYR A 178 -5.667 2.296 -7.313 1.00 0.00 C ATOM 579 C TYR A 178 -5.268 3.768 -7.362 1.00 0.00 C ATOM 580 O TYR A 178 -4.388 4.194 -6.628 1.00 0.00 O ATOM 581 CB TYR A 178 -4.836 1.466 -8.312 1.00 0.00 C ATOM 582 CG TYR A 178 -3.331 1.638 -8.177 1.00 0.00 C ATOM 583 CD1 TYR A 178 -2.631 1.055 -7.127 1.00 0.00 C ATOM 584 CD2 TYR A 178 -2.615 2.387 -9.102 1.00 0.00 C ATOM 585 CE1 TYR A 178 -1.268 1.211 -7.006 1.00 0.00 C ATOM 586 CE2 TYR A 178 -1.249 2.547 -8.986 1.00 0.00 C ATOM 587 CZ TYR A 178 -0.583 1.959 -7.938 1.00 0.00 C ATOM 588 OH TYR A 178 0.785 2.108 -7.827 1.00 0.00 O ATOM 0 H TYR A 178 -7.315 1.518 -8.334 1.00 0.00 H new ATOM 0 HA TYR A 178 -5.450 1.934 -6.308 1.00 0.00 H new ATOM 0 HB2 TYR A 178 -5.082 0.412 -8.182 1.00 0.00 H new ATOM 0 HB3 TYR A 178 -5.131 1.739 -9.325 1.00 0.00 H new ATOM 0 HD1 TYR A 178 -3.165 0.470 -6.393 1.00 0.00 H new ATOM 0 HD2 TYR A 178 -3.136 2.852 -9.926 1.00 0.00 H new ATOM 0 HE1 TYR A 178 -0.739 0.750 -6.185 1.00 0.00 H new ATOM 0 HE2 TYR A 178 -0.707 3.131 -9.715 1.00 0.00 H new ATOM 0 HH TYR A 178 1.071 2.892 -8.341 1.00 0.00 H new ATOM 598 N LYS A 179 -5.925 4.545 -8.194 1.00 0.00 N ATOM 599 CA LYS A 179 -5.598 5.959 -8.291 1.00 0.00 C ATOM 600 C LYS A 179 -5.983 6.732 -7.024 1.00 0.00 C ATOM 601 O LYS A 179 -5.215 7.557 -6.560 1.00 0.00 O ATOM 602 CB LYS A 179 -6.192 6.592 -9.540 1.00 0.00 C ATOM 603 CG LYS A 179 -5.722 5.963 -10.843 1.00 0.00 C ATOM 604 CD LYS A 179 -4.218 6.083 -11.076 1.00 0.00 C ATOM 605 CE LYS A 179 -3.794 7.523 -11.286 1.00 0.00 C ATOM 606 NZ LYS A 179 -2.385 7.622 -11.698 1.00 0.00 N1+ ATOM 0 H LYS A 179 -6.678 4.233 -8.807 1.00 0.00 H new ATOM 0 HA LYS A 179 -4.514 6.024 -8.381 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -7.278 6.522 -9.487 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -5.941 7.653 -9.551 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -5.998 4.909 -10.847 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -6.248 6.434 -11.674 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -3.684 5.668 -10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -3.937 5.491 -11.947 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -4.428 7.982 -12.045 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -3.944 8.084 -10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -2.132 8.622 -11.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -1.778 7.207 -10.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -2.248 7.107 -12.591 1.00 0.00 H new ATOM 620 N ALA A 180 -7.158 6.454 -6.447 1.00 0.00 N ATOM 621 CA ALA A 180 -7.549 7.103 -5.179 1.00 0.00 C ATOM 622 C ALA A 180 -6.619 6.656 -4.084 1.00 0.00 C ATOM 623 O ALA A 180 -6.229 7.441 -3.213 1.00 0.00 O ATOM 624 CB ALA A 180 -8.987 6.791 -4.799 1.00 0.00 C ATOM 0 H ALA A 180 -7.845 5.800 -6.823 1.00 0.00 H new ATOM 0 HA ALA A 180 -7.476 8.182 -5.316 1.00 0.00 H new ATOM 0 HB1 ALA A 180 -9.231 7.289 -3.860 1.00 0.00 H new ATOM 0 HB2 ALA A 180 -9.656 7.146 -5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 180 -9.107 5.714 -4.681 1.00 0.00 H new ATOM 630 N PHE A 181 -6.252 5.391 -4.157 1.00 0.00 N ATOM 631 CA PHE A 181 -5.322 4.792 -3.245 1.00 0.00 C ATOM 632 C PHE A 181 -3.980 5.519 -3.324 1.00 0.00 C ATOM 633 O PHE A 181 -3.443 5.955 -2.310 1.00 0.00 O ATOM 634 CB PHE A 181 -5.168 3.313 -3.590 1.00 0.00 C ATOM 635 CG PHE A 181 -4.217 2.568 -2.716 1.00 0.00 C ATOM 636 CD1 PHE A 181 -4.652 2.004 -1.539 1.00 0.00 C ATOM 637 CD2 PHE A 181 -2.889 2.432 -3.072 1.00 0.00 C ATOM 638 CE1 PHE A 181 -3.785 1.325 -0.732 1.00 0.00 C ATOM 639 CE2 PHE A 181 -2.017 1.755 -2.266 1.00 0.00 C ATOM 640 CZ PHE A 181 -2.469 1.200 -1.093 1.00 0.00 C ATOM 0 H PHE A 181 -6.603 4.748 -4.867 1.00 0.00 H new ATOM 0 HA PHE A 181 -5.691 4.876 -2.223 1.00 0.00 H new ATOM 0 HB2 PHE A 181 -6.146 2.836 -3.530 1.00 0.00 H new ATOM 0 HB3 PHE A 181 -4.834 3.227 -4.624 1.00 0.00 H new ATOM 0 HD1 PHE A 181 -5.688 2.099 -1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 181 -2.536 2.865 -3.996 1.00 0.00 H new ATOM 0 HE1 PHE A 181 -4.136 0.887 0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 181 -0.979 1.657 -2.549 1.00 0.00 H new ATOM 0 HZ PHE A 181 -1.784 0.663 -0.453 1.00 0.00 H new ATOM 650 N SER A 182 -3.476 5.674 -4.536 1.00 0.00 N ATOM 651 CA SER A 182 -2.216 6.345 -4.781 1.00 0.00 C ATOM 652 C SER A 182 -2.262 7.785 -4.288 1.00 0.00 C ATOM 653 O SER A 182 -1.353 8.221 -3.618 1.00 0.00 O ATOM 654 CB SER A 182 -1.852 6.279 -6.262 1.00 0.00 C ATOM 655 OG SER A 182 -1.766 4.929 -6.690 1.00 0.00 O ATOM 0 H SER A 182 -3.934 5.335 -5.382 1.00 0.00 H new ATOM 0 HA SER A 182 -1.438 5.828 -4.220 1.00 0.00 H new ATOM 0 HB2 SER A 182 -2.602 6.807 -6.851 1.00 0.00 H new ATOM 0 HB3 SER A 182 -0.900 6.783 -6.432 1.00 0.00 H new ATOM 0 HG SER A 182 -2.661 4.530 -6.696 1.00 0.00 H new ATOM 661 N GLN A 183 -3.366 8.481 -4.569 1.00 0.00 N ATOM 662 CA GLN A 183 -3.573 9.864 -4.106 1.00 0.00 C ATOM 663 C GLN A 183 -3.379 9.994 -2.595 1.00 0.00 C ATOM 664 O GLN A 183 -2.907 11.010 -2.111 1.00 0.00 O ATOM 665 CB GLN A 183 -4.967 10.367 -4.486 1.00 0.00 C ATOM 666 CG GLN A 183 -5.162 10.643 -5.965 1.00 0.00 C ATOM 667 CD GLN A 183 -6.607 10.942 -6.303 1.00 0.00 C ATOM 668 OE1 GLN A 183 -7.329 9.935 -6.675 1.00 0.00 O flip ATOM 669 NE2 GLN A 183 -7.061 12.083 -6.263 1.00 0.00 N flip ATOM 0 H GLN A 183 -4.140 8.109 -5.120 1.00 0.00 H new ATOM 0 HA GLN A 183 -2.821 10.477 -4.603 1.00 0.00 H new ATOM 0 HB2 GLN A 183 -5.703 9.629 -4.168 1.00 0.00 H new ATOM 0 HB3 GLN A 183 -5.172 11.282 -3.930 1.00 0.00 H new ATOM 0 HG2 GLN A 183 -4.539 11.487 -6.261 1.00 0.00 H new ATOM 0 HG3 GLN A 183 -4.826 9.781 -6.542 1.00 0.00 H new ATOM 0 HE21 GLN A 183 -6.468 12.858 -5.966 1.00 0.00 H new ATOM 0 HE22 GLN A 183 -8.031 12.255 -6.527 1.00 0.00 H new ATOM 678 N PHE A 184 -3.721 8.959 -1.865 1.00 0.00 N ATOM 679 CA PHE A 184 -3.584 8.978 -0.429 1.00 0.00 C ATOM 680 C PHE A 184 -2.223 8.434 0.027 1.00 0.00 C ATOM 681 O PHE A 184 -1.463 9.122 0.690 1.00 0.00 O ATOM 682 CB PHE A 184 -4.735 8.194 0.230 1.00 0.00 C ATOM 683 CG PHE A 184 -4.629 8.089 1.729 1.00 0.00 C ATOM 684 CD1 PHE A 184 -4.792 9.205 2.531 1.00 0.00 C ATOM 685 CD2 PHE A 184 -4.360 6.869 2.332 1.00 0.00 C ATOM 686 CE1 PHE A 184 -4.689 9.105 3.904 1.00 0.00 C ATOM 687 CE2 PHE A 184 -4.258 6.765 3.701 1.00 0.00 C ATOM 688 CZ PHE A 184 -4.420 7.884 4.491 1.00 0.00 C ATOM 0 H PHE A 184 -4.098 8.090 -2.244 1.00 0.00 H new ATOM 0 HA PHE A 184 -3.637 10.018 -0.108 1.00 0.00 H new ATOM 0 HB2 PHE A 184 -5.680 8.675 -0.024 1.00 0.00 H new ATOM 0 HB3 PHE A 184 -4.765 7.190 -0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 184 -5.002 10.163 2.079 1.00 0.00 H new ATOM 0 HD2 PHE A 184 -4.229 5.989 1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 184 -4.819 9.983 4.520 1.00 0.00 H new ATOM 0 HE2 PHE A 184 -4.051 5.808 4.156 1.00 0.00 H new ATOM 0 HZ PHE A 184 -4.337 7.806 5.565 1.00 0.00 H new ATOM 698 N VAL A 185 -1.910 7.231 -0.377 1.00 0.00 N ATOM 699 CA VAL A 185 -0.739 6.525 0.126 1.00 0.00 C ATOM 700 C VAL A 185 0.598 7.112 -0.407 1.00 0.00 C ATOM 701 O VAL A 185 1.604 7.084 0.296 1.00 0.00 O ATOM 702 CB VAL A 185 -0.854 5.002 -0.161 1.00 0.00 C ATOM 703 CG1 VAL A 185 0.269 4.222 0.484 1.00 0.00 C ATOM 704 CG2 VAL A 185 -2.191 4.480 0.330 1.00 0.00 C ATOM 0 H VAL A 185 -2.452 6.705 -1.063 1.00 0.00 H new ATOM 0 HA VAL A 185 -0.717 6.671 1.206 1.00 0.00 H new ATOM 0 HB VAL A 185 -0.780 4.864 -1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 185 0.152 3.162 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 185 1.225 4.572 0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 185 0.241 4.369 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 185 -2.262 3.412 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 185 -2.276 4.649 1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 185 -2.997 5.003 -0.185 1.00 0.00 H new ATOM 714 N ARG A 186 0.585 7.668 -1.622 1.00 0.00 N ATOM 715 CA ARG A 186 1.789 8.303 -2.212 1.00 0.00 C ATOM 716 C ARG A 186 2.385 9.401 -1.278 1.00 0.00 C ATOM 717 O ARG A 186 3.537 9.279 -0.883 1.00 0.00 O ATOM 718 CB ARG A 186 1.485 8.841 -3.648 1.00 0.00 C ATOM 719 CG ARG A 186 2.389 9.950 -4.194 1.00 0.00 C ATOM 720 CD ARG A 186 3.844 9.557 -4.339 1.00 0.00 C ATOM 721 NE ARG A 186 4.614 10.668 -4.907 1.00 0.00 N ATOM 722 CZ ARG A 186 5.950 10.773 -4.943 1.00 0.00 C ATOM 723 NH1 ARG A 186 6.725 9.863 -4.354 1.00 0.00 N1+ ATOM 724 NH2 ARG A 186 6.506 11.807 -5.551 1.00 0.00 N ATOM 0 H ARG A 186 -0.239 7.696 -2.223 1.00 0.00 H new ATOM 0 HA ARG A 186 2.559 7.538 -2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 186 1.531 7.999 -4.339 1.00 0.00 H new ATOM 0 HB3 ARG A 186 0.459 9.208 -3.659 1.00 0.00 H new ATOM 0 HG2 ARG A 186 2.011 10.264 -5.167 1.00 0.00 H new ATOM 0 HG3 ARG A 186 2.323 10.814 -3.533 1.00 0.00 H new ATOM 0 HD2 ARG A 186 4.252 9.281 -3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 186 3.929 8.680 -4.981 1.00 0.00 H new ATOM 0 HE ARG A 186 4.081 11.436 -5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 186 6.303 9.072 -3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 186 7.740 9.957 -4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 186 5.919 12.518 -5.988 1.00 0.00 H new ATOM 0 HH22 ARG A 186 7.522 11.894 -5.583 1.00 0.00 H new ATOM 738 N PRO A 187 1.608 10.474 -0.902 1.00 0.00 N ATOM 739 CA PRO A 187 2.102 11.532 0.005 1.00 0.00 C ATOM 740 C PRO A 187 2.508 10.976 1.365 1.00 0.00 C ATOM 741 O PRO A 187 3.451 11.476 1.997 1.00 0.00 O ATOM 742 CB PRO A 187 0.905 12.468 0.170 1.00 0.00 C ATOM 743 CG PRO A 187 0.060 12.217 -1.017 1.00 0.00 C ATOM 744 CD PRO A 187 0.235 10.769 -1.353 1.00 0.00 C ATOM 0 HA PRO A 187 2.989 12.020 -0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 187 0.363 12.258 1.092 1.00 0.00 H new ATOM 0 HB3 PRO A 187 1.222 13.510 0.217 1.00 0.00 H new ATOM 0 HG2 PRO A 187 -0.985 12.445 -0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 187 0.362 12.850 -1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 187 -0.498 10.147 -0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 187 0.116 10.588 -2.421 1.00 0.00 H new ATOM 752 N LEU A 188 1.793 9.948 1.802 1.00 0.00 N ATOM 753 CA LEU A 188 2.085 9.260 3.054 1.00 0.00 C ATOM 754 C LEU A 188 3.470 8.650 3.031 1.00 0.00 C ATOM 755 O LEU A 188 4.293 8.936 3.904 1.00 0.00 O ATOM 756 CB LEU A 188 1.029 8.181 3.369 1.00 0.00 C ATOM 757 CG LEU A 188 -0.170 8.589 4.248 1.00 0.00 C ATOM 758 CD1 LEU A 188 0.292 8.887 5.656 1.00 0.00 C ATOM 759 CD2 LEU A 188 -0.907 9.791 3.678 1.00 0.00 C ATOM 0 H LEU A 188 0.993 9.566 1.298 1.00 0.00 H new ATOM 0 HA LEU A 188 2.049 10.007 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 188 0.639 7.806 2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 188 1.535 7.348 3.857 1.00 0.00 H new ATOM 0 HG LEU A 188 -0.865 7.750 4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 188 -0.564 9.174 6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 188 0.760 7.999 6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 188 1.014 9.703 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 188 -1.745 10.046 4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 188 -0.226 10.639 3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 188 -1.280 9.551 2.682 1.00 0.00 H new ATOM 771 N ILE A 189 3.750 7.840 2.020 1.00 0.00 N ATOM 772 CA ILE A 189 5.045 7.194 1.923 1.00 0.00 C ATOM 773 C ILE A 189 6.131 8.234 1.652 1.00 0.00 C ATOM 774 O ILE A 189 7.201 8.209 2.265 1.00 0.00 O ATOM 775 CB ILE A 189 5.085 6.086 0.838 1.00 0.00 C ATOM 776 CG1 ILE A 189 3.916 5.116 1.001 1.00 0.00 C ATOM 777 CG2 ILE A 189 6.384 5.304 0.970 1.00 0.00 C ATOM 778 CD1 ILE A 189 3.848 4.062 -0.090 1.00 0.00 C ATOM 0 H ILE A 189 3.103 7.618 1.264 1.00 0.00 H new ATOM 0 HA ILE A 189 5.230 6.707 2.881 1.00 0.00 H new ATOM 0 HB ILE A 189 5.016 6.562 -0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 189 3.997 4.621 1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 189 2.984 5.681 1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 189 6.418 4.524 0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 189 7.230 5.978 0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 189 6.436 4.849 1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 189 2.995 3.408 0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 189 3.736 4.548 -1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 189 4.765 3.472 -0.084 1.00 0.00 H new ATOM 790 N ALA A 190 5.808 9.197 0.794 1.00 0.00 N ATOM 791 CA ALA A 190 6.727 10.273 0.419 1.00 0.00 C ATOM 792 C ALA A 190 7.158 11.113 1.629 1.00 0.00 C ATOM 793 O ALA A 190 8.215 11.752 1.607 1.00 0.00 O ATOM 794 CB ALA A 190 6.096 11.168 -0.640 1.00 0.00 C ATOM 0 H ALA A 190 4.898 9.256 0.336 1.00 0.00 H new ATOM 0 HA ALA A 190 7.621 9.803 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 190 6.793 11.963 -0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 190 5.864 10.576 -1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 190 5.179 11.607 -0.246 1.00 0.00 H new ATOM 800 N ALA A 191 6.341 11.120 2.671 1.00 0.00 N ATOM 801 CA ALA A 191 6.660 11.846 3.886 1.00 0.00 C ATOM 802 C ALA A 191 7.803 11.160 4.636 1.00 0.00 C ATOM 803 O ALA A 191 8.636 11.818 5.268 1.00 0.00 O ATOM 804 CB ALA A 191 5.431 11.972 4.775 1.00 0.00 C ATOM 0 H ALA A 191 5.448 10.628 2.697 1.00 0.00 H new ATOM 0 HA ALA A 191 6.985 12.850 3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 191 5.692 12.520 5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 191 4.648 12.509 4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 191 5.072 10.978 5.042 1.00 0.00 H new ATOM 810 N LYS A 192 7.848 9.851 4.553 1.00 0.00 N ATOM 811 CA LYS A 192 8.889 9.077 5.208 1.00 0.00 C ATOM 812 C LYS A 192 10.112 8.943 4.330 1.00 0.00 C ATOM 813 O LYS A 192 11.229 8.805 4.822 1.00 0.00 O ATOM 814 CB LYS A 192 8.384 7.688 5.574 1.00 0.00 C ATOM 815 CG LYS A 192 7.647 7.587 6.896 1.00 0.00 C ATOM 816 CD LYS A 192 8.566 7.894 8.052 1.00 0.00 C ATOM 817 CE LYS A 192 7.951 7.509 9.383 1.00 0.00 C ATOM 818 NZ LYS A 192 8.892 7.768 10.492 1.00 0.00 N1+ ATOM 0 H LYS A 192 7.171 9.291 4.034 1.00 0.00 H new ATOM 0 HA LYS A 192 9.163 9.614 6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 192 7.721 7.341 4.781 1.00 0.00 H new ATOM 0 HB3 LYS A 192 9.234 7.007 5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 192 6.806 8.280 6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 192 7.235 6.585 7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 192 9.507 7.360 7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 192 8.801 8.958 8.056 1.00 0.00 H new ATOM 0 HE2 LYS A 192 7.032 8.074 9.541 1.00 0.00 H new ATOM 0 HE3 LYS A 192 7.678 6.454 9.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 192 8.437 7.529 11.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 192 9.744 7.185 10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 192 9.158 8.773 10.494 1.00 0.00 H new ATOM 832 N ASN A 193 9.908 8.976 3.052 1.00 0.00 N ATOM 833 CA ASN A 193 10.988 8.849 2.113 1.00 0.00 C ATOM 834 C ASN A 193 10.881 9.851 0.980 1.00 0.00 C ATOM 835 O ASN A 193 10.203 9.634 -0.016 1.00 0.00 O ATOM 836 CB ASN A 193 11.175 7.395 1.620 1.00 0.00 C ATOM 837 CG ASN A 193 9.879 6.668 1.301 1.00 0.00 C ATOM 838 OD1 ASN A 193 9.374 6.714 0.206 1.00 0.00 O ATOM 839 ND2 ASN A 193 9.353 5.967 2.275 1.00 0.00 N ATOM 0 H ASN A 193 8.989 9.092 2.625 1.00 0.00 H new ATOM 0 HA ASN A 193 11.903 9.098 2.651 1.00 0.00 H new ATOM 0 HB2 ASN A 193 11.801 7.405 0.728 1.00 0.00 H new ATOM 0 HB3 ASN A 193 11.715 6.833 2.382 1.00 0.00 H new ATOM 0 HD21 ASN A 193 8.493 5.441 2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 193 9.803 5.948 3.190 1.00 0.00 H new ATOM 846 N PRO A 194 11.528 11.012 1.146 1.00 0.00 N ATOM 847 CA PRO A 194 11.512 12.065 0.141 1.00 0.00 C ATOM 848 C PRO A 194 12.509 11.814 -0.990 1.00 0.00 C ATOM 849 O PRO A 194 12.389 12.368 -2.080 1.00 0.00 O ATOM 850 CB PRO A 194 11.896 13.311 0.935 1.00 0.00 C ATOM 851 CG PRO A 194 12.736 12.813 2.057 1.00 0.00 C ATOM 852 CD PRO A 194 12.288 11.410 2.359 1.00 0.00 C ATOM 0 HA PRO A 194 10.545 12.140 -0.356 1.00 0.00 H new ATOM 0 HB2 PRO A 194 12.446 14.019 0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 194 11.012 13.830 1.305 1.00 0.00 H new ATOM 0 HG2 PRO A 194 13.791 12.830 1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 194 12.623 13.450 2.934 1.00 0.00 H new ATOM 0 HD2 PRO A 194 13.136 10.748 2.535 1.00 0.00 H new ATOM 0 HD3 PRO A 194 11.664 11.373 3.252 1.00 0.00 H new ATOM 860 N LYS A 195 13.461 10.946 -0.733 1.00 0.00 N ATOM 861 CA LYS A 195 14.530 10.648 -1.672 1.00 0.00 C ATOM 862 C LYS A 195 14.193 9.348 -2.436 1.00 0.00 C ATOM 863 O LYS A 195 15.050 8.717 -3.055 1.00 0.00 O ATOM 864 CB LYS A 195 15.844 10.491 -0.884 1.00 0.00 C ATOM 865 CG LYS A 195 17.112 10.491 -1.731 1.00 0.00 C ATOM 866 CD LYS A 195 18.335 10.208 -0.880 1.00 0.00 C ATOM 867 CE LYS A 195 19.609 10.259 -1.701 1.00 0.00 C ATOM 868 NZ LYS A 195 19.899 11.621 -2.202 1.00 0.00 N1+ ATOM 0 H LYS A 195 13.520 10.420 0.139 1.00 0.00 H new ATOM 0 HA LYS A 195 14.640 11.455 -2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 195 15.912 11.300 -0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 195 15.802 9.559 -0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 195 17.029 9.739 -2.516 1.00 0.00 H new ATOM 0 HG3 LYS A 195 17.224 11.456 -2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 195 18.393 10.937 -0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 195 18.238 9.226 -0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 195 20.445 9.912 -1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 195 19.523 9.574 -2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 195 20.868 11.653 -2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 195 19.226 11.864 -2.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 195 19.807 12.304 -1.423 1.00 0.00 H new ATOM 882 N ILE A 196 12.940 8.976 -2.400 1.00 0.00 N ATOM 883 CA ILE A 196 12.488 7.765 -3.043 1.00 0.00 C ATOM 884 C ILE A 196 12.141 8.112 -4.507 1.00 0.00 C ATOM 885 O ILE A 196 11.749 9.250 -4.802 1.00 0.00 O ATOM 886 CB ILE A 196 11.251 7.187 -2.258 1.00 0.00 C ATOM 887 CG1 ILE A 196 11.231 5.636 -2.198 1.00 0.00 C ATOM 888 CG2 ILE A 196 9.921 7.725 -2.786 1.00 0.00 C ATOM 889 CD1 ILE A 196 10.985 4.928 -3.496 1.00 0.00 C ATOM 0 H ILE A 196 12.204 9.500 -1.926 1.00 0.00 H new ATOM 0 HA ILE A 196 13.259 6.995 -3.038 1.00 0.00 H new ATOM 0 HB ILE A 196 11.375 7.543 -1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 196 12.186 5.296 -1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 196 10.461 5.330 -1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 196 9.101 7.296 -2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 196 9.903 8.810 -2.689 1.00 0.00 H new ATOM 0 HG23 ILE A 196 9.809 7.453 -3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 196 10.993 3.851 -3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 196 10.016 5.226 -3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 196 11.767 5.191 -4.208 1.00 0.00 H new ATOM 901 N ALA A 197 12.350 7.183 -5.408 1.00 0.00 N ATOM 902 CA ALA A 197 12.052 7.410 -6.805 1.00 0.00 C ATOM 903 C ALA A 197 10.639 6.964 -7.138 1.00 0.00 C ATOM 904 O ALA A 197 10.134 6.010 -6.547 1.00 0.00 O ATOM 905 CB ALA A 197 13.052 6.703 -7.683 1.00 0.00 C ATOM 0 H ALA A 197 12.727 6.258 -5.200 1.00 0.00 H new ATOM 0 HA ALA A 197 12.123 8.481 -6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 197 12.810 6.886 -8.730 1.00 0.00 H new ATOM 0 HB2 ALA A 197 14.053 7.079 -7.470 1.00 0.00 H new ATOM 0 HB3 ALA A 197 13.017 5.632 -7.485 1.00 0.00 H new ATOM 911 N VAL A 198 10.035 7.612 -8.117 1.00 0.00 N ATOM 912 CA VAL A 198 8.638 7.368 -8.499 1.00 0.00 C ATOM 913 C VAL A 198 8.405 5.928 -9.011 1.00 0.00 C ATOM 914 O VAL A 198 7.362 5.318 -8.723 1.00 0.00 O ATOM 915 CB VAL A 198 8.136 8.414 -9.543 1.00 0.00 C ATOM 916 CG1 VAL A 198 6.684 8.156 -9.949 1.00 0.00 C ATOM 917 CG2 VAL A 198 8.269 9.823 -8.984 1.00 0.00 C ATOM 0 H VAL A 198 10.494 8.329 -8.679 1.00 0.00 H new ATOM 0 HA VAL A 198 8.049 7.485 -7.589 1.00 0.00 H new ATOM 0 HB VAL A 198 8.759 8.314 -10.432 1.00 0.00 H new ATOM 0 HG11 VAL A 198 6.371 8.905 -10.677 1.00 0.00 H new ATOM 0 HG12 VAL A 198 6.601 7.163 -10.391 1.00 0.00 H new ATOM 0 HG13 VAL A 198 6.044 8.216 -9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 198 7.915 10.542 -9.723 1.00 0.00 H new ATOM 0 HG22 VAL A 198 7.672 9.912 -8.076 1.00 0.00 H new ATOM 0 HG23 VAL A 198 9.315 10.025 -8.752 1.00 0.00 H new ATOM 927 N SER A 199 9.375 5.375 -9.714 1.00 0.00 N ATOM 928 CA SER A 199 9.252 4.022 -10.223 1.00 0.00 C ATOM 929 C SER A 199 9.224 3.024 -9.052 1.00 0.00 C ATOM 930 O SER A 199 8.404 2.105 -9.017 1.00 0.00 O ATOM 931 CB SER A 199 10.394 3.705 -11.206 1.00 0.00 C ATOM 932 OG SER A 199 10.201 2.452 -11.837 1.00 0.00 O ATOM 0 H SER A 199 10.253 5.839 -9.945 1.00 0.00 H new ATOM 0 HA SER A 199 8.315 3.931 -10.772 1.00 0.00 H new ATOM 0 HB2 SER A 199 10.454 4.489 -11.961 1.00 0.00 H new ATOM 0 HB3 SER A 199 11.345 3.703 -10.673 1.00 0.00 H new ATOM 0 HG SER A 199 10.941 2.280 -12.456 1.00 0.00 H new ATOM 938 N LYS A 200 10.074 3.258 -8.060 1.00 0.00 N ATOM 939 CA LYS A 200 10.118 2.408 -6.882 1.00 0.00 C ATOM 940 C LYS A 200 8.875 2.647 -6.028 1.00 0.00 C ATOM 941 O LYS A 200 8.359 1.737 -5.388 1.00 0.00 O ATOM 942 CB LYS A 200 11.380 2.677 -6.067 1.00 0.00 C ATOM 943 CG LYS A 200 12.691 2.372 -6.773 1.00 0.00 C ATOM 944 CD LYS A 200 12.843 0.890 -7.085 1.00 0.00 C ATOM 945 CE LYS A 200 14.213 0.594 -7.665 1.00 0.00 C ATOM 946 NZ LYS A 200 14.399 -0.839 -7.959 1.00 0.00 N1+ ATOM 0 H LYS A 200 10.741 4.030 -8.050 1.00 0.00 H new ATOM 0 HA LYS A 200 10.138 1.366 -7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 200 11.383 3.726 -5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 200 11.334 2.086 -5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 200 12.745 2.944 -7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 200 13.523 2.698 -6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 200 12.695 0.306 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 200 12.071 0.582 -7.791 1.00 0.00 H new ATOM 0 HE2 LYS A 200 14.350 1.171 -8.580 1.00 0.00 H new ATOM 0 HE3 LYS A 200 14.980 0.921 -6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 15.349 -0.992 -8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 14.295 -1.390 -7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 13.684 -1.148 -8.649 1.00 0.00 H new ATOM 960 N MET A 201 8.398 3.881 -6.060 1.00 0.00 N ATOM 961 CA MET A 201 7.197 4.297 -5.349 1.00 0.00 C ATOM 962 C MET A 201 5.995 3.460 -5.777 1.00 0.00 C ATOM 963 O MET A 201 5.249 2.963 -4.934 1.00 0.00 O ATOM 964 CB MET A 201 6.907 5.782 -5.618 1.00 0.00 C ATOM 965 CG MET A 201 5.675 6.340 -4.908 1.00 0.00 C ATOM 966 SD MET A 201 6.010 7.065 -3.277 1.00 0.00 S ATOM 967 CE MET A 201 6.798 5.721 -2.398 1.00 0.00 C ATOM 0 H MET A 201 8.840 4.634 -6.588 1.00 0.00 H new ATOM 0 HA MET A 201 7.368 4.148 -4.283 1.00 0.00 H new ATOM 0 HB2 MET A 201 7.777 6.366 -5.317 1.00 0.00 H new ATOM 0 HB3 MET A 201 6.784 5.924 -6.692 1.00 0.00 H new ATOM 0 HG2 MET A 201 5.219 7.100 -5.542 1.00 0.00 H new ATOM 0 HG3 MET A 201 4.944 5.540 -4.793 1.00 0.00 H new ATOM 0 HE1 MET A 201 7.033 6.039 -1.382 1.00 0.00 H new ATOM 0 HE2 MET A 201 6.125 4.865 -2.363 1.00 0.00 H new ATOM 0 HE3 MET A 201 7.717 5.439 -2.912 1.00 0.00 H new ATOM 977 N MET A 202 5.835 3.281 -7.090 1.00 0.00 N ATOM 978 CA MET A 202 4.730 2.499 -7.645 1.00 0.00 C ATOM 979 C MET A 202 4.805 1.038 -7.234 1.00 0.00 C ATOM 980 O MET A 202 3.792 0.350 -7.179 1.00 0.00 O ATOM 981 CB MET A 202 4.685 2.623 -9.164 1.00 0.00 C ATOM 982 CG MET A 202 4.346 4.018 -9.650 1.00 0.00 C ATOM 983 SD MET A 202 2.693 4.548 -9.146 1.00 0.00 S ATOM 984 CE MET A 202 2.620 6.175 -9.896 1.00 0.00 C ATOM 0 H MET A 202 6.463 3.671 -7.793 1.00 0.00 H new ATOM 0 HA MET A 202 3.808 2.910 -7.233 1.00 0.00 H new ATOM 0 HB2 MET A 202 5.652 2.330 -9.573 1.00 0.00 H new ATOM 0 HB3 MET A 202 3.948 1.922 -9.556 1.00 0.00 H new ATOM 0 HG2 MET A 202 5.083 4.722 -9.264 1.00 0.00 H new ATOM 0 HG3 MET A 202 4.417 4.047 -10.737 1.00 0.00 H new ATOM 0 HE1 MET A 202 1.657 6.635 -9.675 1.00 0.00 H new ATOM 0 HE2 MET A 202 3.420 6.797 -9.494 1.00 0.00 H new ATOM 0 HE3 MET A 202 2.739 6.084 -10.976 1.00 0.00 H new ATOM 994 N MET A 203 6.001 0.577 -6.924 1.00 0.00 N ATOM 995 CA MET A 203 6.196 -0.790 -6.471 1.00 0.00 C ATOM 996 C MET A 203 5.613 -0.948 -5.077 1.00 0.00 C ATOM 997 O MET A 203 4.950 -1.939 -4.779 1.00 0.00 O ATOM 998 CB MET A 203 7.685 -1.170 -6.464 1.00 0.00 C ATOM 999 CG MET A 203 8.355 -1.061 -7.820 1.00 0.00 C ATOM 1000 SD MET A 203 7.610 -2.140 -9.049 1.00 0.00 S ATOM 1001 CE MET A 203 8.522 -1.640 -10.512 1.00 0.00 C ATOM 0 H MET A 203 6.856 1.130 -6.977 1.00 0.00 H new ATOM 0 HA MET A 203 5.684 -1.459 -7.163 1.00 0.00 H new ATOM 0 HB2 MET A 203 8.210 -0.527 -5.758 1.00 0.00 H new ATOM 0 HB3 MET A 203 7.787 -2.193 -6.101 1.00 0.00 H new ATOM 0 HG2 MET A 203 8.299 -0.029 -8.167 1.00 0.00 H new ATOM 0 HG3 MET A 203 9.412 -1.307 -7.719 1.00 0.00 H new ATOM 0 HE1 MET A 203 8.179 -2.218 -11.370 1.00 0.00 H new ATOM 0 HE2 MET A 203 8.356 -0.579 -10.699 1.00 0.00 H new ATOM 0 HE3 MET A 203 9.586 -1.819 -10.356 1.00 0.00 H new ATOM 1011 N VAL A 204 5.830 0.057 -4.240 1.00 0.00 N ATOM 1012 CA VAL A 204 5.328 0.038 -2.870 1.00 0.00 C ATOM 1013 C VAL A 204 3.836 0.284 -2.876 1.00 0.00 C ATOM 1014 O VAL A 204 3.087 -0.408 -2.198 1.00 0.00 O ATOM 1015 CB VAL A 204 5.996 1.111 -1.982 1.00 0.00 C ATOM 1016 CG1 VAL A 204 5.566 0.943 -0.530 1.00 0.00 C ATOM 1017 CG2 VAL A 204 7.497 1.048 -2.103 1.00 0.00 C ATOM 0 H VAL A 204 6.352 0.899 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 204 5.565 -0.942 -2.456 1.00 0.00 H new ATOM 0 HB VAL A 204 5.670 2.092 -2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 204 6.046 1.707 0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 204 4.483 1.046 -0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 204 5.861 -0.044 -0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 204 7.946 1.813 -1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 204 7.846 0.065 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 204 7.786 1.221 -3.140 1.00 0.00 H new ATOM 1027 N LEU A 205 3.416 1.270 -3.653 1.00 0.00 N ATOM 1028 CA LEU A 205 2.008 1.588 -3.807 1.00 0.00 C ATOM 1029 C LEU A 205 1.238 0.388 -4.323 1.00 0.00 C ATOM 1030 O LEU A 205 0.163 0.069 -3.830 1.00 0.00 O ATOM 1031 CB LEU A 205 1.820 2.771 -4.742 1.00 0.00 C ATOM 1032 CG LEU A 205 2.252 4.135 -4.207 1.00 0.00 C ATOM 1033 CD1 LEU A 205 1.923 5.173 -5.212 1.00 0.00 C ATOM 1034 CD2 LEU A 205 1.549 4.438 -2.909 1.00 0.00 C ATOM 0 H LEU A 205 4.040 1.870 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 205 1.617 1.856 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 205 2.374 2.573 -5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 205 0.766 2.828 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 205 3.326 4.125 -4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 205 2.228 6.151 -4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 205 2.450 4.959 -6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 205 0.849 5.174 -5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 205 1.868 5.413 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 205 0.471 4.447 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 205 1.798 3.674 -2.173 1.00 0.00 H new ATOM 1046 N GLY A 206 1.830 -0.297 -5.281 1.00 0.00 N ATOM 1047 CA GLY A 206 1.235 -1.477 -5.850 1.00 0.00 C ATOM 1048 C GLY A 206 1.149 -2.612 -4.853 1.00 0.00 C ATOM 1049 O GLY A 206 0.128 -3.310 -4.786 1.00 0.00 O ATOM 0 H GLY A 206 2.734 -0.048 -5.682 1.00 0.00 H new ATOM 0 HA2 GLY A 206 0.235 -1.239 -6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 206 1.820 -1.797 -6.712 1.00 0.00 H new ATOM 1053 N ALA A 207 2.203 -2.792 -4.075 1.00 0.00 N ATOM 1054 CA ALA A 207 2.247 -3.834 -3.067 1.00 0.00 C ATOM 1055 C ALA A 207 1.258 -3.538 -1.944 1.00 0.00 C ATOM 1056 O ALA A 207 0.568 -4.435 -1.463 1.00 0.00 O ATOM 1057 CB ALA A 207 3.657 -4.004 -2.529 1.00 0.00 C ATOM 0 H ALA A 207 3.048 -2.222 -4.125 1.00 0.00 H new ATOM 0 HA ALA A 207 1.953 -4.775 -3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 207 3.666 -4.791 -1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 207 4.327 -4.276 -3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 207 3.991 -3.068 -2.081 1.00 0.00 H new ATOM 1063 N LYS A 208 1.164 -2.275 -1.545 1.00 0.00 N ATOM 1064 CA LYS A 208 0.206 -1.892 -0.533 1.00 0.00 C ATOM 1065 C LYS A 208 -1.204 -2.046 -1.044 1.00 0.00 C ATOM 1066 O LYS A 208 -2.069 -2.459 -0.314 1.00 0.00 O ATOM 1067 CB LYS A 208 0.439 -0.484 0.000 1.00 0.00 C ATOM 1068 CG LYS A 208 1.692 -0.340 0.822 1.00 0.00 C ATOM 1069 CD LYS A 208 1.765 1.011 1.496 1.00 0.00 C ATOM 1070 CE LYS A 208 2.993 1.118 2.383 1.00 0.00 C ATOM 1071 NZ LYS A 208 2.976 0.146 3.507 1.00 0.00 N1+ ATOM 0 H LYS A 208 1.736 -1.511 -1.906 1.00 0.00 H new ATOM 0 HA LYS A 208 0.352 -2.571 0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 208 0.487 0.208 -0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -0.417 -0.190 0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 208 1.725 -1.126 1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 208 2.564 -0.476 0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 208 1.790 1.796 0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 208 0.867 1.171 2.093 1.00 0.00 H new ATOM 0 HE2 LYS A 208 3.887 0.955 1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 208 3.059 2.129 2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 3.626 0.467 4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 2.013 0.078 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 3.278 -0.788 3.163 1.00 0.00 H new ATOM 1085 N TRP A 209 -1.418 -1.713 -2.309 1.00 0.00 N ATOM 1086 CA TRP A 209 -2.711 -1.909 -2.968 1.00 0.00 C ATOM 1087 C TRP A 209 -3.076 -3.391 -2.969 1.00 0.00 C ATOM 1088 O TRP A 209 -4.245 -3.770 -2.776 1.00 0.00 O ATOM 1089 CB TRP A 209 -2.661 -1.357 -4.402 1.00 0.00 C ATOM 1090 CG TRP A 209 -3.875 -1.651 -5.236 1.00 0.00 C ATOM 1091 CD1 TRP A 209 -3.926 -2.439 -6.349 1.00 0.00 C ATOM 1092 CD2 TRP A 209 -5.208 -1.181 -5.020 1.00 0.00 C ATOM 1093 NE1 TRP A 209 -5.201 -2.471 -6.842 1.00 0.00 N ATOM 1094 CE2 TRP A 209 -6.011 -1.711 -6.043 1.00 0.00 C ATOM 1095 CE3 TRP A 209 -5.794 -0.361 -4.062 1.00 0.00 C ATOM 1096 CZ2 TRP A 209 -7.372 -1.447 -6.133 1.00 0.00 C ATOM 1097 CZ3 TRP A 209 -7.147 -0.098 -4.149 1.00 0.00 C ATOM 1098 CH2 TRP A 209 -7.924 -0.640 -5.178 1.00 0.00 C ATOM 0 H TRP A 209 -0.705 -1.300 -2.910 1.00 0.00 H new ATOM 0 HA TRP A 209 -3.480 -1.366 -2.419 1.00 0.00 H new ATOM 0 HB2 TRP A 209 -2.523 -0.277 -4.355 1.00 0.00 H new ATOM 0 HB3 TRP A 209 -1.785 -1.769 -4.904 1.00 0.00 H new ATOM 0 HD1 TRP A 209 -3.083 -2.961 -6.778 1.00 0.00 H new ATOM 0 HE1 TRP A 209 -5.501 -2.980 -7.673 1.00 0.00 H new ATOM 0 HE3 TRP A 209 -5.202 0.063 -3.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 209 -7.972 -1.864 -6.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 209 -7.613 0.537 -3.410 1.00 0.00 H new ATOM 0 HH2 TRP A 209 -8.980 -0.417 -5.219 1.00 0.00 H new ATOM 1109 N ARG A 210 -2.070 -4.210 -3.179 1.00 0.00 N ATOM 1110 CA ARG A 210 -2.203 -5.657 -3.158 1.00 0.00 C ATOM 1111 C ARG A 210 -2.706 -6.079 -1.761 1.00 0.00 C ATOM 1112 O ARG A 210 -3.727 -6.772 -1.632 1.00 0.00 O ATOM 1113 CB ARG A 210 -0.835 -6.309 -3.424 1.00 0.00 C ATOM 1114 CG ARG A 210 -0.876 -7.749 -3.904 1.00 0.00 C ATOM 1115 CD ARG A 210 -1.178 -7.810 -5.397 1.00 0.00 C ATOM 1116 NE ARG A 210 -1.220 -9.186 -5.917 1.00 0.00 N ATOM 1117 CZ ARG A 210 -0.462 -9.671 -6.917 1.00 0.00 C ATOM 1118 NH1 ARG A 210 0.584 -8.995 -7.366 1.00 0.00 N1+ ATOM 1119 NH2 ARG A 210 -0.717 -10.873 -7.410 1.00 0.00 N ATOM 0 H ARG A 210 -1.121 -3.889 -3.372 1.00 0.00 H new ATOM 0 HA ARG A 210 -2.905 -5.977 -3.928 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -0.307 -5.712 -4.167 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -0.248 -6.267 -2.506 1.00 0.00 H new ATOM 0 HG2 ARG A 210 0.079 -8.233 -3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -1.636 -8.301 -3.351 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -2.135 -7.325 -5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -0.420 -7.245 -5.939 1.00 0.00 H new ATOM 0 HE ARG A 210 -1.882 -9.828 -5.481 1.00 0.00 H new ATOM 0 HH11 ARG A 210 0.824 -8.094 -6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 210 1.150 -9.375 -8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -1.485 -11.427 -7.032 1.00 0.00 H new ATOM 0 HH22 ARG A 210 -0.145 -11.245 -8.168 1.00 0.00 H new ATOM 1133 N GLU A 211 -2.008 -5.610 -0.723 1.00 0.00 N ATOM 1134 CA GLU A 211 -2.371 -5.910 0.663 1.00 0.00 C ATOM 1135 C GLU A 211 -3.740 -5.321 1.007 1.00 0.00 C ATOM 1136 O GLU A 211 -4.562 -5.978 1.635 1.00 0.00 O ATOM 1137 CB GLU A 211 -1.306 -5.411 1.660 1.00 0.00 C ATOM 1138 CG GLU A 211 0.083 -6.004 1.442 1.00 0.00 C ATOM 1139 CD GLU A 211 1.047 -5.689 2.571 1.00 0.00 C ATOM 1140 OE1 GLU A 211 1.683 -4.608 2.569 1.00 0.00 O1- ATOM 1141 OE2 GLU A 211 1.198 -6.535 3.481 1.00 0.00 O ATOM 0 H GLU A 211 -1.183 -5.017 -0.819 1.00 0.00 H new ATOM 0 HA GLU A 211 -2.423 -6.995 0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 211 -1.240 -4.325 1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 211 -1.634 -5.646 2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 211 -0.002 -7.085 1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 211 0.492 -5.623 0.506 1.00 0.00 H new ATOM 1148 N PHE A 212 -3.980 -4.102 0.544 1.00 0.00 N ATOM 1149 CA PHE A 212 -5.239 -3.382 0.734 1.00 0.00 C ATOM 1150 C PHE A 212 -6.406 -4.199 0.195 1.00 0.00 C ATOM 1151 O PHE A 212 -7.351 -4.450 0.905 1.00 0.00 O ATOM 1152 CB PHE A 212 -5.159 -2.014 0.025 1.00 0.00 C ATOM 1153 CG PHE A 212 -6.369 -1.117 0.158 1.00 0.00 C ATOM 1154 CD1 PHE A 212 -7.400 -1.177 -0.767 1.00 0.00 C ATOM 1155 CD2 PHE A 212 -6.454 -0.193 1.188 1.00 0.00 C ATOM 1156 CE1 PHE A 212 -8.493 -0.342 -0.667 1.00 0.00 C ATOM 1157 CE2 PHE A 212 -7.544 0.652 1.287 1.00 0.00 C ATOM 1158 CZ PHE A 212 -8.565 0.572 0.356 1.00 0.00 C ATOM 0 H PHE A 212 -3.290 -3.571 0.013 1.00 0.00 H new ATOM 0 HA PHE A 212 -5.404 -3.222 1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 212 -4.292 -1.478 0.412 1.00 0.00 H new ATOM 0 HB3 PHE A 212 -4.978 -2.189 -1.036 1.00 0.00 H new ATOM 0 HD1 PHE A 212 -7.346 -1.888 -1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 212 -5.662 -0.133 1.920 1.00 0.00 H new ATOM 0 HE1 PHE A 212 -9.291 -0.407 -1.392 1.00 0.00 H new ATOM 0 HE2 PHE A 212 -7.599 1.373 2.089 1.00 0.00 H new ATOM 0 HZ PHE A 212 -9.419 1.229 0.434 1.00 0.00 H new ATOM 1168 N SER A 213 -6.294 -4.650 -1.051 1.00 0.00 N ATOM 1169 CA SER A 213 -7.338 -5.451 -1.688 1.00 0.00 C ATOM 1170 C SER A 213 -7.570 -6.763 -0.915 1.00 0.00 C ATOM 1171 O SER A 213 -8.689 -7.255 -0.814 1.00 0.00 O ATOM 1172 CB SER A 213 -6.945 -5.763 -3.142 1.00 0.00 C ATOM 1173 OG SER A 213 -6.741 -4.566 -3.898 1.00 0.00 O ATOM 0 H SER A 213 -5.484 -4.473 -1.645 1.00 0.00 H new ATOM 0 HA SER A 213 -8.265 -4.878 -1.679 1.00 0.00 H new ATOM 0 HB2 SER A 213 -6.034 -6.362 -3.153 1.00 0.00 H new ATOM 0 HB3 SER A 213 -7.726 -6.362 -3.611 1.00 0.00 H new ATOM 0 HG SER A 213 -5.897 -4.148 -3.627 1.00 0.00 H new ATOM 1179 N THR A 214 -6.509 -7.283 -0.348 1.00 0.00 N ATOM 1180 CA THR A 214 -6.543 -8.529 0.379 1.00 0.00 C ATOM 1181 C THR A 214 -7.191 -8.351 1.774 1.00 0.00 C ATOM 1182 O THR A 214 -8.049 -9.135 2.178 1.00 0.00 O ATOM 1183 CB THR A 214 -5.102 -9.073 0.524 1.00 0.00 C ATOM 1184 OG1 THR A 214 -4.489 -9.157 -0.783 1.00 0.00 O ATOM 1185 CG2 THR A 214 -5.084 -10.448 1.173 1.00 0.00 C ATOM 0 H THR A 214 -5.587 -6.848 -0.379 1.00 0.00 H new ATOM 0 HA THR A 214 -7.152 -9.241 -0.178 1.00 0.00 H new ATOM 0 HB THR A 214 -4.546 -8.388 1.164 1.00 0.00 H new ATOM 0 HG1 THR A 214 -4.319 -8.254 -1.123 1.00 0.00 H new ATOM 0 HG21 THR A 214 -4.055 -10.797 1.258 1.00 0.00 H new ATOM 0 HG22 THR A 214 -5.530 -10.388 2.166 1.00 0.00 H new ATOM 0 HG23 THR A 214 -5.655 -11.147 0.561 1.00 0.00 H new ATOM 1193 N ASN A 215 -6.825 -7.293 2.460 1.00 0.00 N ATOM 1194 CA ASN A 215 -7.254 -7.057 3.841 1.00 0.00 C ATOM 1195 C ASN A 215 -8.432 -6.068 3.886 1.00 0.00 C ATOM 1196 O ASN A 215 -8.701 -5.433 4.904 1.00 0.00 O ATOM 1197 CB ASN A 215 -6.035 -6.534 4.652 1.00 0.00 C ATOM 1198 CG ASN A 215 -6.272 -6.388 6.159 1.00 0.00 C ATOM 1199 OD1 ASN A 215 -7.074 -7.107 6.763 1.00 0.00 O ATOM 1200 ND2 ASN A 215 -5.557 -5.476 6.776 1.00 0.00 N ATOM 0 H ASN A 215 -6.220 -6.563 2.085 1.00 0.00 H new ATOM 0 HA ASN A 215 -7.608 -7.987 4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 215 -5.196 -7.212 4.496 1.00 0.00 H new ATOM 0 HB3 ASN A 215 -5.740 -5.565 4.251 1.00 0.00 H new ATOM 0 HD21 ASN A 215 -5.656 -5.346 7.783 1.00 0.00 H new ATOM 0 HD22 ASN A 215 -4.903 -4.898 6.249 1.00 0.00 H new ATOM 1207 N ASN A 216 -9.148 -5.963 2.788 1.00 0.00 N ATOM 1208 CA ASN A 216 -10.301 -5.075 2.714 1.00 0.00 C ATOM 1209 C ASN A 216 -11.601 -5.837 2.939 1.00 0.00 C ATOM 1210 O ASN A 216 -12.019 -6.638 2.091 1.00 0.00 O ATOM 1211 CB ASN A 216 -10.356 -4.327 1.374 1.00 0.00 C ATOM 1212 CG ASN A 216 -11.585 -3.442 1.234 1.00 0.00 C ATOM 1213 OD1 ASN A 216 -12.152 -2.964 2.218 1.00 0.00 O ATOM 1214 ND2 ASN A 216 -11.994 -3.207 0.020 1.00 0.00 N ATOM 0 H ASN A 216 -8.956 -6.480 1.930 1.00 0.00 H new ATOM 0 HA ASN A 216 -10.185 -4.340 3.510 1.00 0.00 H new ATOM 0 HB2 ASN A 216 -9.461 -3.714 1.270 1.00 0.00 H new ATOM 0 HB3 ASN A 216 -10.343 -5.051 0.560 1.00 0.00 H new ATOM 0 HD21 ASN A 216 -12.807 -2.611 -0.138 1.00 0.00 H new ATOM 0 HD22 ASN A 216 -11.502 -3.619 -0.773 1.00 0.00 H new