USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 535 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 216 THR OG1 : rot -129:sc= -0.833 USER MOD Set 1.2: A 223 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 162 GLN : amide:sc= -1.37 K(o=-1.4,f=-5.2!) USER MOD Set 2.2: A 217 MET CE :methyl 152:sc= -0.0272 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 163:sc= -0.0166 (180deg=-0.145) USER MOD Single : A 157 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 159 ASN : amide:sc= -0.928 K(o=-0.93,f=-2.2!) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 176 ASN : amide:sc= -0.344 K(o=-0.34,f=-3.5!) USER MOD Single : A 180 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 THR OG1 : rot 180:sc= 0 USER MOD Single : A 190 SER OG : rot 160:sc= 0.0279 USER MOD Single : A 191 LYS NZ :NH3+ 156:sc= -0.652 (180deg=-1.33) USER MOD Single : A 193 CYS SG : rot 58:sc= 0.0908 USER MOD Single : A 197 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0227) USER MOD Single : A 198 TYR OH : rot 30:sc= -1.54 USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 200 SER OG : rot 37:sc= 0.781 USER MOD Single : A 201 HIS :FLIP no HD1:sc= -0.281 F(o=-1,f=-0.28) USER MOD Single : A 205 GLN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 209 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 212 HIS : no HE2:sc= -2.38! C(o=-2.4!,f=-9.4!) USER MOD Single : A 214 SER OG : rot 101:sc= 1.01 USER MOD Single : A 215 GLN : amide:sc= -1.06 K(o=-1.1,f=-5.2!) USER MOD Single : A 221 SER OG : rot 180:sc= 0 USER MOD Single : A 222 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 217 N LYS A 152 5.920 1.971 3.135 1.00 0.00 N ATOM 218 CA LYS A 152 4.622 2.599 2.918 1.00 0.00 C ATOM 219 C LYS A 152 3.970 2.073 1.643 1.00 0.00 C ATOM 220 O LYS A 152 4.536 2.178 0.555 1.00 0.00 O ATOM 221 CB LYS A 152 4.776 4.120 2.835 1.00 0.00 C ATOM 222 CG LYS A 152 3.452 4.864 2.796 1.00 0.00 C ATOM 223 CD LYS A 152 3.654 6.348 2.544 1.00 0.00 C ATOM 224 CE LYS A 152 2.560 7.178 3.198 1.00 0.00 C ATOM 225 NZ LYS A 152 2.702 7.214 4.680 1.00 0.00 N ATOM 0 HA LYS A 152 3.980 2.350 3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 152 5.352 4.466 3.693 1.00 0.00 H new ATOM 0 HB3 LYS A 152 5.350 4.371 1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 152 2.820 4.444 2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 152 2.926 4.723 3.740 1.00 0.00 H new ATOM 0 HD2 LYS A 152 4.626 6.655 2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 152 3.664 6.538 1.471 1.00 0.00 H new ATOM 0 HE2 LYS A 152 2.592 8.194 2.805 1.00 0.00 H new ATOM 0 HE3 LYS A 152 1.586 6.765 2.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 2.137 7.998 5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 2.366 6.316 5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 3.702 7.353 4.930 1.00 0.00 H new ATOM 239 N LEU A 153 2.776 1.508 1.786 1.00 0.00 N ATOM 240 CA LEU A 153 2.045 0.967 0.645 1.00 0.00 C ATOM 241 C LEU A 153 1.030 1.978 0.119 1.00 0.00 C ATOM 242 O LEU A 153 0.562 2.844 0.857 1.00 0.00 O ATOM 243 CB LEU A 153 1.334 -0.329 1.038 1.00 0.00 C ATOM 244 CG LEU A 153 2.207 -1.583 1.093 1.00 0.00 C ATOM 245 CD1 LEU A 153 1.525 -2.672 1.908 1.00 0.00 C ATOM 246 CD2 LEU A 153 2.516 -2.080 -0.311 1.00 0.00 C ATOM 0 H LEU A 153 2.294 1.413 2.680 1.00 0.00 H new ATOM 0 HA LEU A 153 2.763 0.755 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 153 0.876 -0.186 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 153 0.524 -0.505 0.330 1.00 0.00 H new ATOM 0 HG LEU A 153 3.147 -1.327 1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 153 2.161 -3.557 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 153 1.355 -2.314 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 153 0.570 -2.926 1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 153 3.138 -2.973 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 153 1.585 -2.319 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 153 3.046 -1.304 -0.863 1.00 0.00 H new ATOM 258 N PHE A 154 0.694 1.859 -1.161 1.00 0.00 N ATOM 259 CA PHE A 154 -0.267 2.761 -1.786 1.00 0.00 C ATOM 260 C PHE A 154 -1.406 1.979 -2.433 1.00 0.00 C ATOM 261 O PHE A 154 -1.199 1.243 -3.398 1.00 0.00 O ATOM 262 CB PHE A 154 0.428 3.633 -2.833 1.00 0.00 C ATOM 263 CG PHE A 154 -0.522 4.465 -3.647 1.00 0.00 C ATOM 264 CD1 PHE A 154 -1.004 5.668 -3.158 1.00 0.00 C ATOM 265 CD2 PHE A 154 -0.933 4.043 -4.901 1.00 0.00 C ATOM 266 CE1 PHE A 154 -1.879 6.435 -3.904 1.00 0.00 C ATOM 267 CE2 PHE A 154 -1.808 4.806 -5.652 1.00 0.00 C ATOM 268 CZ PHE A 154 -2.281 6.003 -5.153 1.00 0.00 C ATOM 0 H PHE A 154 1.073 1.147 -1.786 1.00 0.00 H new ATOM 0 HA PHE A 154 -0.686 3.401 -1.010 1.00 0.00 H new ATOM 0 HB2 PHE A 154 1.138 4.292 -2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 154 1.004 2.994 -3.502 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -0.692 6.011 -2.182 1.00 0.00 H new ATOM 0 HD2 PHE A 154 -0.566 3.107 -5.296 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -2.248 7.371 -3.511 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -2.121 4.466 -6.628 1.00 0.00 H new ATOM 0 HZ PHE A 154 -2.964 6.601 -5.738 1.00 0.00 H new ATOM 278 N VAL A 155 -2.610 2.144 -1.895 1.00 0.00 N ATOM 279 CA VAL A 155 -3.783 1.455 -2.419 1.00 0.00 C ATOM 280 C VAL A 155 -4.642 2.394 -3.258 1.00 0.00 C ATOM 281 O VAL A 155 -5.271 3.312 -2.733 1.00 0.00 O ATOM 282 CB VAL A 155 -4.642 0.866 -1.284 1.00 0.00 C ATOM 283 CG1 VAL A 155 -5.722 -0.043 -1.849 1.00 0.00 C ATOM 284 CG2 VAL A 155 -3.769 0.117 -0.289 1.00 0.00 C ATOM 0 H VAL A 155 -2.799 2.749 -1.096 1.00 0.00 H new ATOM 0 HA VAL A 155 -3.419 0.642 -3.047 1.00 0.00 H new ATOM 0 HB VAL A 155 -5.130 1.686 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -6.319 -0.450 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -6.365 0.528 -2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 155 -5.258 -0.860 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -4.392 -0.292 0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 155 -3.251 -0.695 -0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 155 -3.037 0.801 0.140 1.00 0.00 H new ATOM 294 N GLY A 156 -4.665 2.156 -4.566 1.00 0.00 N ATOM 295 CA GLY A 156 -5.452 2.989 -5.458 1.00 0.00 C ATOM 296 C GLY A 156 -6.626 2.244 -6.061 1.00 0.00 C ATOM 297 O GLY A 156 -6.923 1.117 -5.667 1.00 0.00 O ATOM 0 H GLY A 156 -4.153 1.402 -5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -5.819 3.857 -4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -4.814 3.364 -6.258 1.00 0.00 H new ATOM 301 N MET A 157 -7.296 2.877 -7.019 1.00 0.00 N ATOM 302 CA MET A 157 -8.445 2.266 -7.678 1.00 0.00 C ATOM 303 C MET A 157 -9.541 1.942 -6.668 1.00 0.00 C ATOM 304 O MET A 157 -10.327 1.014 -6.866 1.00 0.00 O ATOM 305 CB MET A 157 -8.021 0.994 -8.415 1.00 0.00 C ATOM 306 CG MET A 157 -7.492 1.251 -9.816 1.00 0.00 C ATOM 307 SD MET A 157 -8.676 2.128 -10.855 1.00 0.00 S ATOM 308 CE MET A 157 -7.722 2.331 -12.358 1.00 0.00 C ATOM 0 H MET A 157 -7.064 3.811 -7.356 1.00 0.00 H new ATOM 0 HA MET A 157 -8.841 2.980 -8.400 1.00 0.00 H new ATOM 0 HB2 MET A 157 -7.252 0.486 -7.833 1.00 0.00 H new ATOM 0 HB3 MET A 157 -8.874 0.318 -8.476 1.00 0.00 H new ATOM 0 HG2 MET A 157 -6.571 1.831 -9.752 1.00 0.00 H new ATOM 0 HG3 MET A 157 -7.238 0.300 -10.284 1.00 0.00 H new ATOM 0 HE1 MET A 157 -8.321 2.859 -13.100 1.00 0.00 H new ATOM 0 HE2 MET A 157 -6.821 2.906 -12.142 1.00 0.00 H new ATOM 0 HE3 MET A 157 -7.443 1.352 -12.747 1.00 0.00 H new ATOM 318 N LEU A 158 -9.589 2.711 -5.586 1.00 0.00 N ATOM 319 CA LEU A 158 -10.590 2.505 -4.545 1.00 0.00 C ATOM 320 C LEU A 158 -11.836 3.342 -4.814 1.00 0.00 C ATOM 321 O LEU A 158 -11.818 4.252 -5.642 1.00 0.00 O ATOM 322 CB LEU A 158 -10.009 2.860 -3.175 1.00 0.00 C ATOM 323 CG LEU A 158 -9.065 1.828 -2.558 1.00 0.00 C ATOM 324 CD1 LEU A 158 -8.371 2.404 -1.333 1.00 0.00 C ATOM 325 CD2 LEU A 158 -9.823 0.560 -2.197 1.00 0.00 C ATOM 0 H LEU A 158 -8.947 3.483 -5.407 1.00 0.00 H new ATOM 0 HA LEU A 158 -10.874 1.453 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -9.474 3.805 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -10.836 3.026 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 158 -8.304 1.574 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.703 1.655 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.794 3.283 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -9.118 2.688 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -9.135 -0.163 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -10.607 0.797 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -10.272 0.136 -3.095 1.00 0.00 H new ATOM 337 N ASN A 159 -12.917 3.029 -4.108 1.00 0.00 N ATOM 338 CA ASN A 159 -14.173 3.753 -4.269 1.00 0.00 C ATOM 339 C ASN A 159 -14.458 4.626 -3.051 1.00 0.00 C ATOM 340 O ASN A 159 -13.823 4.480 -2.006 1.00 0.00 O ATOM 341 CB ASN A 159 -15.327 2.773 -4.490 1.00 0.00 C ATOM 342 CG ASN A 159 -15.491 2.393 -5.949 1.00 0.00 C ATOM 343 OD1 ASN A 159 -14.904 1.418 -6.418 1.00 0.00 O ATOM 344 ND2 ASN A 159 -16.293 3.164 -6.674 1.00 0.00 N ATOM 0 H ASN A 159 -12.949 2.278 -3.418 1.00 0.00 H new ATOM 0 HA ASN A 159 -14.082 4.398 -5.143 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -15.154 1.873 -3.900 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -16.253 3.219 -4.127 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -16.443 2.958 -7.662 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -16.759 3.962 -6.243 1.00 0.00 H new ATOM 351 N LYS A 160 -15.417 5.534 -3.192 1.00 0.00 N ATOM 352 CA LYS A 160 -15.790 6.430 -2.104 1.00 0.00 C ATOM 353 C LYS A 160 -16.796 5.764 -1.171 1.00 0.00 C ATOM 354 O LYS A 160 -17.849 6.329 -0.875 1.00 0.00 O ATOM 355 CB LYS A 160 -16.377 7.728 -2.662 1.00 0.00 C ATOM 356 CG LYS A 160 -15.569 8.319 -3.805 1.00 0.00 C ATOM 357 CD LYS A 160 -16.441 9.148 -4.734 1.00 0.00 C ATOM 358 CE LYS A 160 -15.661 9.630 -5.947 1.00 0.00 C ATOM 359 NZ LYS A 160 -16.349 10.756 -6.637 1.00 0.00 N ATOM 0 H LYS A 160 -15.951 5.669 -4.050 1.00 0.00 H new ATOM 0 HA LYS A 160 -14.890 6.662 -1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -17.394 7.539 -3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -16.444 8.461 -1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -14.770 8.941 -3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -15.095 7.516 -4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -17.294 8.553 -5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -16.839 10.006 -4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -14.666 9.948 -5.636 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -15.528 8.803 -6.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -15.786 11.056 -7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -17.289 10.445 -6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -16.454 11.554 -5.979 1.00 0.00 H new ATOM 373 N GLN A 161 -16.465 4.562 -0.711 1.00 0.00 N ATOM 374 CA GLN A 161 -17.340 3.821 0.189 1.00 0.00 C ATOM 375 C GLN A 161 -16.549 3.219 1.346 1.00 0.00 C ATOM 376 O GLN A 161 -16.910 3.387 2.510 1.00 0.00 O ATOM 377 CB GLN A 161 -18.072 2.715 -0.573 1.00 0.00 C ATOM 378 CG GLN A 161 -18.951 1.845 0.311 1.00 0.00 C ATOM 379 CD GLN A 161 -19.748 0.827 -0.480 1.00 0.00 C ATOM 380 OE1 GLN A 161 -19.578 0.694 -1.692 1.00 0.00 O ATOM 381 NE2 GLN A 161 -20.625 0.101 0.204 1.00 0.00 N ATOM 0 H GLN A 161 -15.597 4.081 -0.947 1.00 0.00 H new ATOM 0 HA GLN A 161 -18.072 4.518 0.597 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -18.688 3.167 -1.350 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -17.338 2.084 -1.075 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -18.327 1.326 1.039 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -19.636 2.480 0.873 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -20.733 0.245 1.208 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -21.190 -0.600 -0.275 1.00 0.00 H new ATOM 390 N GLN A 162 -15.469 2.519 1.016 1.00 0.00 N ATOM 391 CA GLN A 162 -14.627 1.891 2.028 1.00 0.00 C ATOM 392 C GLN A 162 -14.223 2.898 3.100 1.00 0.00 C ATOM 393 O GLN A 162 -14.333 4.108 2.902 1.00 0.00 O ATOM 394 CB GLN A 162 -13.379 1.288 1.381 1.00 0.00 C ATOM 395 CG GLN A 162 -13.677 0.117 0.459 1.00 0.00 C ATOM 396 CD GLN A 162 -13.771 -1.201 1.201 1.00 0.00 C ATOM 397 OE1 GLN A 162 -13.953 -1.230 2.418 1.00 0.00 O ATOM 398 NE2 GLN A 162 -13.647 -2.303 0.469 1.00 0.00 N ATOM 0 H GLN A 162 -15.156 2.372 0.056 1.00 0.00 H new ATOM 0 HA GLN A 162 -15.202 1.095 2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 162 -12.863 2.063 0.815 1.00 0.00 H new ATOM 0 HB3 GLN A 162 -12.697 0.958 2.165 1.00 0.00 H new ATOM 0 HG2 GLN A 162 -14.615 0.302 -0.065 1.00 0.00 H new ATOM 0 HG3 GLN A 162 -12.896 0.048 -0.299 1.00 0.00 H new ATOM 0 HE21 GLN A 162 -13.497 -2.233 -0.537 1.00 0.00 H new ATOM 0 HE22 GLN A 162 -13.702 -3.219 0.914 1.00 0.00 H new ATOM 407 N SER A 163 -13.755 2.390 4.236 1.00 0.00 N ATOM 408 CA SER A 163 -13.338 3.244 5.341 1.00 0.00 C ATOM 409 C SER A 163 -12.048 2.728 5.970 1.00 0.00 C ATOM 410 O SER A 163 -11.571 1.645 5.633 1.00 0.00 O ATOM 411 CB SER A 163 -14.441 3.319 6.399 1.00 0.00 C ATOM 412 OG SER A 163 -15.546 4.074 5.933 1.00 0.00 O ATOM 0 H SER A 163 -13.655 1.391 4.415 1.00 0.00 H new ATOM 0 HA SER A 163 -13.154 4.243 4.946 1.00 0.00 H new ATOM 0 HB2 SER A 163 -14.768 2.312 6.659 1.00 0.00 H new ATOM 0 HB3 SER A 163 -14.046 3.771 7.309 1.00 0.00 H new ATOM 0 HG SER A 163 -16.237 4.105 6.627 1.00 0.00 H new ATOM 418 N GLU A 164 -11.489 3.512 6.886 1.00 0.00 N ATOM 419 CA GLU A 164 -10.253 3.135 7.562 1.00 0.00 C ATOM 420 C GLU A 164 -10.378 1.752 8.193 1.00 0.00 C ATOM 421 O GLU A 164 -9.479 0.919 8.074 1.00 0.00 O ATOM 422 CB GLU A 164 -9.897 4.167 8.635 1.00 0.00 C ATOM 423 CG GLU A 164 -9.021 5.298 8.124 1.00 0.00 C ATOM 424 CD GLU A 164 -8.673 6.301 9.207 1.00 0.00 C ATOM 425 OE1 GLU A 164 -9.537 7.138 9.541 1.00 0.00 O ATOM 426 OE2 GLU A 164 -7.536 6.248 9.721 1.00 0.00 O ATOM 0 H GLU A 164 -11.872 4.412 7.177 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.457 3.105 6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -10.817 4.587 9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -9.385 3.664 9.455 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -8.102 4.882 7.710 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -9.534 5.811 7.310 1.00 0.00 H new ATOM 433 N ASP A 165 -11.499 1.514 8.865 1.00 0.00 N ATOM 434 CA ASP A 165 -11.744 0.232 9.515 1.00 0.00 C ATOM 435 C ASP A 165 -11.669 -0.911 8.507 1.00 0.00 C ATOM 436 O ASP A 165 -10.963 -1.896 8.722 1.00 0.00 O ATOM 437 CB ASP A 165 -13.111 0.235 10.200 1.00 0.00 C ATOM 438 CG ASP A 165 -13.205 1.274 11.300 1.00 0.00 C ATOM 439 OD1 ASP A 165 -12.683 1.017 12.405 1.00 0.00 O ATOM 440 OD2 ASP A 165 -13.799 2.345 11.055 1.00 0.00 O ATOM 0 H ASP A 165 -12.253 2.193 8.974 1.00 0.00 H new ATOM 0 HA ASP A 165 -10.970 0.081 10.268 1.00 0.00 H new ATOM 0 HB2 ASP A 165 -13.886 0.425 9.457 1.00 0.00 H new ATOM 0 HB3 ASP A 165 -13.306 -0.752 10.619 1.00 0.00 H new ATOM 445 N ASP A 166 -12.404 -0.774 7.409 1.00 0.00 N ATOM 446 CA ASP A 166 -12.421 -1.795 6.368 1.00 0.00 C ATOM 447 C ASP A 166 -11.002 -2.170 5.951 1.00 0.00 C ATOM 448 O ASP A 166 -10.559 -3.299 6.167 1.00 0.00 O ATOM 449 CB ASP A 166 -13.208 -1.301 5.153 1.00 0.00 C ATOM 450 CG ASP A 166 -14.667 -1.043 5.474 1.00 0.00 C ATOM 451 OD1 ASP A 166 -15.343 -1.977 5.952 1.00 0.00 O ATOM 452 OD2 ASP A 166 -15.133 0.093 5.247 1.00 0.00 O ATOM 0 H ASP A 166 -12.996 0.034 7.217 1.00 0.00 H new ATOM 0 HA ASP A 166 -12.909 -2.682 6.772 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -12.754 -0.384 4.778 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -13.140 -2.040 4.355 1.00 0.00 H new ATOM 457 N VAL A 167 -10.294 -1.217 5.353 1.00 0.00 N ATOM 458 CA VAL A 167 -8.925 -1.448 4.907 1.00 0.00 C ATOM 459 C VAL A 167 -8.035 -1.880 6.066 1.00 0.00 C ATOM 460 O VAL A 167 -7.143 -2.713 5.900 1.00 0.00 O ATOM 461 CB VAL A 167 -8.327 -0.187 4.257 1.00 0.00 C ATOM 462 CG1 VAL A 167 -6.906 -0.453 3.783 1.00 0.00 C ATOM 463 CG2 VAL A 167 -9.202 0.285 3.106 1.00 0.00 C ATOM 0 H VAL A 167 -10.646 -0.278 5.166 1.00 0.00 H new ATOM 0 HA VAL A 167 -8.964 -2.246 4.166 1.00 0.00 H new ATOM 0 HB VAL A 167 -8.293 0.605 5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 167 -6.500 0.450 3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -6.287 -0.740 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 167 -6.912 -1.259 3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 167 -8.764 1.177 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 167 -9.271 -0.502 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 167 -10.199 0.518 3.479 1.00 0.00 H new ATOM 473 N ARG A 168 -8.282 -1.309 7.240 1.00 0.00 N ATOM 474 CA ARG A 168 -7.502 -1.635 8.428 1.00 0.00 C ATOM 475 C ARG A 168 -7.506 -3.139 8.685 1.00 0.00 C ATOM 476 O ARG A 168 -6.460 -3.787 8.654 1.00 0.00 O ATOM 477 CB ARG A 168 -8.057 -0.896 9.647 1.00 0.00 C ATOM 478 CG ARG A 168 -7.347 -1.244 10.945 1.00 0.00 C ATOM 479 CD ARG A 168 -5.919 -0.721 10.956 1.00 0.00 C ATOM 480 NE ARG A 168 -5.868 0.726 11.151 1.00 0.00 N ATOM 481 CZ ARG A 168 -6.210 1.327 12.284 1.00 0.00 C ATOM 482 NH1 ARG A 168 -6.626 0.611 13.320 1.00 0.00 N ATOM 483 NH2 ARG A 168 -6.136 2.649 12.384 1.00 0.00 N ATOM 0 H ARG A 168 -9.016 -0.618 7.394 1.00 0.00 H new ATOM 0 HA ARG A 168 -6.474 -1.316 8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -7.979 0.178 9.477 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -9.117 -1.127 9.750 1.00 0.00 H new ATOM 0 HG2 ARG A 168 -7.897 -0.822 11.786 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -7.341 -2.326 11.079 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -5.358 -1.214 11.750 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -5.432 -0.978 10.015 1.00 0.00 H new ATOM 0 HE ARG A 168 -5.552 1.306 10.374 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -6.684 -0.405 13.248 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -6.888 1.076 14.189 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -5.816 3.203 11.590 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -6.399 3.110 13.255 1.00 0.00 H new ATOM 497 N ARG A 169 -8.689 -3.687 8.941 1.00 0.00 N ATOM 498 CA ARG A 169 -8.829 -5.114 9.206 1.00 0.00 C ATOM 499 C ARG A 169 -8.456 -5.935 7.974 1.00 0.00 C ATOM 500 O ARG A 169 -7.645 -6.858 8.052 1.00 0.00 O ATOM 501 CB ARG A 169 -10.262 -5.437 9.632 1.00 0.00 C ATOM 502 CG ARG A 169 -10.593 -4.985 11.045 1.00 0.00 C ATOM 503 CD ARG A 169 -11.923 -5.555 11.515 1.00 0.00 C ATOM 504 NE ARG A 169 -11.886 -7.011 11.626 1.00 0.00 N ATOM 505 CZ ARG A 169 -12.908 -7.741 12.059 1.00 0.00 C ATOM 506 NH1 ARG A 169 -14.040 -7.154 12.419 1.00 0.00 N ATOM 507 NH2 ARG A 169 -12.797 -9.061 12.131 1.00 0.00 N ATOM 0 H ARG A 169 -9.565 -3.165 8.971 1.00 0.00 H new ATOM 0 HA ARG A 169 -8.148 -5.376 10.016 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -10.955 -4.963 8.936 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -10.421 -6.513 9.557 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -9.801 -5.300 11.724 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -10.629 -3.896 11.081 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -12.180 -5.124 12.483 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -12.709 -5.264 10.818 1.00 0.00 H new ATOM 0 HE ARG A 169 -11.029 -7.494 11.356 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -14.128 -6.139 12.364 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -14.823 -7.717 12.751 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -11.927 -9.515 11.854 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -13.582 -9.621 12.463 1.00 0.00 H new ATOM 521 N LEU A 170 -9.054 -5.592 6.838 1.00 0.00 N ATOM 522 CA LEU A 170 -8.786 -6.297 5.590 1.00 0.00 C ATOM 523 C LEU A 170 -7.291 -6.549 5.417 1.00 0.00 C ATOM 524 O LEU A 170 -6.840 -7.694 5.421 1.00 0.00 O ATOM 525 CB LEU A 170 -9.320 -5.493 4.403 1.00 0.00 C ATOM 526 CG LEU A 170 -9.401 -6.238 3.070 1.00 0.00 C ATOM 527 CD1 LEU A 170 -10.622 -7.145 3.039 1.00 0.00 C ATOM 528 CD2 LEU A 170 -9.436 -5.254 1.910 1.00 0.00 C ATOM 0 H LEU A 170 -9.727 -4.830 6.756 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.296 -7.260 5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -10.316 -5.130 4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -8.686 -4.617 4.269 1.00 0.00 H new ATOM 0 HG LEU A 170 -8.510 -6.858 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.663 -7.667 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -10.555 -7.873 3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -11.524 -6.546 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -9.494 -5.802 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -10.308 -4.608 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -8.531 -4.646 1.921 1.00 0.00 H new ATOM 540 N PHE A 171 -6.528 -5.471 5.267 1.00 0.00 N ATOM 541 CA PHE A 171 -5.084 -5.575 5.094 1.00 0.00 C ATOM 542 C PHE A 171 -4.453 -6.351 6.247 1.00 0.00 C ATOM 543 O PHE A 171 -3.954 -7.460 6.061 1.00 0.00 O ATOM 544 CB PHE A 171 -4.459 -4.182 5.000 1.00 0.00 C ATOM 545 CG PHE A 171 -4.592 -3.556 3.641 1.00 0.00 C ATOM 546 CD1 PHE A 171 -5.837 -3.412 3.049 1.00 0.00 C ATOM 547 CD2 PHE A 171 -3.473 -3.111 2.956 1.00 0.00 C ATOM 548 CE1 PHE A 171 -5.962 -2.837 1.799 1.00 0.00 C ATOM 549 CE2 PHE A 171 -3.593 -2.535 1.705 1.00 0.00 C ATOM 550 CZ PHE A 171 -4.839 -2.397 1.126 1.00 0.00 C ATOM 0 H PHE A 171 -6.886 -4.516 5.262 1.00 0.00 H new ATOM 0 HA PHE A 171 -4.892 -6.115 4.167 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -4.928 -3.532 5.738 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -3.402 -4.248 5.259 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -6.719 -3.753 3.571 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -2.496 -3.215 3.404 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -6.938 -2.732 1.348 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -2.713 -2.193 1.181 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.935 -1.946 0.149 1.00 0.00 H new ATOM 560 N GLU A 172 -4.480 -5.758 7.436 1.00 0.00 N ATOM 561 CA GLU A 172 -3.909 -6.393 8.618 1.00 0.00 C ATOM 562 C GLU A 172 -4.327 -7.858 8.704 1.00 0.00 C ATOM 563 O GLU A 172 -3.672 -8.664 9.365 1.00 0.00 O ATOM 564 CB GLU A 172 -4.346 -5.652 9.884 1.00 0.00 C ATOM 565 CG GLU A 172 -5.632 -6.187 10.489 1.00 0.00 C ATOM 566 CD GLU A 172 -5.451 -7.547 11.135 1.00 0.00 C ATOM 567 OE1 GLU A 172 -4.370 -7.793 11.709 1.00 0.00 O ATOM 568 OE2 GLU A 172 -6.392 -8.366 11.067 1.00 0.00 O ATOM 0 H GLU A 172 -4.891 -4.840 7.606 1.00 0.00 H new ATOM 0 HA GLU A 172 -2.823 -6.347 8.535 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -3.550 -5.718 10.626 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -4.477 -4.596 9.650 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -6.000 -5.481 11.234 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -6.393 -6.256 9.712 1.00 0.00 H new ATOM 575 N ALA A 173 -5.422 -8.196 8.031 1.00 0.00 N ATOM 576 CA ALA A 173 -5.927 -9.563 8.030 1.00 0.00 C ATOM 577 C ALA A 173 -4.820 -10.557 7.694 1.00 0.00 C ATOM 578 O ALA A 173 -4.937 -11.750 7.973 1.00 0.00 O ATOM 579 CB ALA A 173 -7.078 -9.700 7.044 1.00 0.00 C ATOM 0 H ALA A 173 -5.976 -7.541 7.479 1.00 0.00 H new ATOM 0 HA ALA A 173 -6.292 -9.790 9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -7.445 -10.726 7.054 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -7.884 -9.023 7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -6.731 -9.449 6.042 1.00 0.00 H new ATOM 585 N PHE A 174 -3.745 -10.057 7.093 1.00 0.00 N ATOM 586 CA PHE A 174 -2.617 -10.902 6.718 1.00 0.00 C ATOM 587 C PHE A 174 -1.399 -10.601 7.586 1.00 0.00 C ATOM 588 O PHE A 174 -0.958 -11.441 8.369 1.00 0.00 O ATOM 589 CB PHE A 174 -2.268 -10.697 5.242 1.00 0.00 C ATOM 590 CG PHE A 174 -3.362 -11.118 4.303 1.00 0.00 C ATOM 591 CD1 PHE A 174 -3.438 -12.425 3.849 1.00 0.00 C ATOM 592 CD2 PHE A 174 -4.315 -10.208 3.876 1.00 0.00 C ATOM 593 CE1 PHE A 174 -4.444 -12.815 2.984 1.00 0.00 C ATOM 594 CE2 PHE A 174 -5.324 -10.592 3.012 1.00 0.00 C ATOM 595 CZ PHE A 174 -5.388 -11.898 2.566 1.00 0.00 C ATOM 0 H PHE A 174 -3.631 -9.072 6.855 1.00 0.00 H new ATOM 0 HA PHE A 174 -2.906 -11.941 6.876 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -2.041 -9.644 5.074 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.364 -11.260 5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -2.704 -13.147 4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -4.269 -9.186 4.222 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -4.491 -13.836 2.636 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -6.061 -9.872 2.686 1.00 0.00 H new ATOM 0 HZ PHE A 174 -6.175 -12.201 1.892 1.00 0.00 H new ATOM 605 N GLY A 175 -0.860 -9.394 7.441 1.00 0.00 N ATOM 606 CA GLY A 175 0.302 -9.003 8.218 1.00 0.00 C ATOM 607 C GLY A 175 -0.037 -8.000 9.303 1.00 0.00 C ATOM 608 O GLY A 175 -1.205 -7.804 9.633 1.00 0.00 O ATOM 0 H GLY A 175 -1.207 -8.681 6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 175 0.746 -9.889 8.672 1.00 0.00 H new ATOM 0 HA3 GLY A 175 1.052 -8.575 7.553 1.00 0.00 H new ATOM 612 N ASN A 176 0.989 -7.366 9.862 1.00 0.00 N ATOM 613 CA ASN A 176 0.794 -6.380 10.919 1.00 0.00 C ATOM 614 C ASN A 176 0.865 -4.962 10.360 1.00 0.00 C ATOM 615 O ASN A 176 1.775 -4.629 9.601 1.00 0.00 O ATOM 616 CB ASN A 176 1.846 -6.562 12.015 1.00 0.00 C ATOM 617 CG ASN A 176 1.751 -7.917 12.689 1.00 0.00 C ATOM 618 OD1 ASN A 176 1.480 -8.928 12.041 1.00 0.00 O ATOM 619 ND2 ASN A 176 1.972 -7.943 13.998 1.00 0.00 N ATOM 0 H ASN A 176 1.963 -7.517 9.601 1.00 0.00 H new ATOM 0 HA ASN A 176 -0.197 -6.533 11.347 1.00 0.00 H new ATOM 0 HB2 ASN A 176 2.840 -6.443 11.584 1.00 0.00 H new ATOM 0 HB3 ASN A 176 1.727 -5.778 12.763 1.00 0.00 H new ATOM 0 HD21 ASN A 176 1.920 -8.826 14.507 1.00 0.00 H new ATOM 0 HD22 ASN A 176 2.194 -7.080 14.495 1.00 0.00 H new ATOM 626 N ILE A 177 -0.100 -4.133 10.742 1.00 0.00 N ATOM 627 CA ILE A 177 -0.146 -2.751 10.280 1.00 0.00 C ATOM 628 C ILE A 177 0.361 -1.796 11.355 1.00 0.00 C ATOM 629 O ILE A 177 0.045 -1.948 12.534 1.00 0.00 O ATOM 630 CB ILE A 177 -1.574 -2.340 9.876 1.00 0.00 C ATOM 631 CG1 ILE A 177 -1.950 -2.970 8.534 1.00 0.00 C ATOM 632 CG2 ILE A 177 -1.689 -0.824 9.807 1.00 0.00 C ATOM 633 CD1 ILE A 177 -3.337 -2.597 8.058 1.00 0.00 C ATOM 0 H ILE A 177 -0.860 -4.394 11.370 1.00 0.00 H new ATOM 0 HA ILE A 177 0.502 -2.688 9.406 1.00 0.00 H new ATOM 0 HB ILE A 177 -2.269 -2.704 10.633 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -1.222 -2.665 7.782 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -1.884 -4.055 8.620 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -2.704 -0.549 9.520 1.00 0.00 H new ATOM 0 HG22 ILE A 177 -1.459 -0.397 10.783 1.00 0.00 H new ATOM 0 HG23 ILE A 177 -0.986 -0.439 9.068 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.535 -3.080 7.101 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -4.074 -2.927 8.790 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -3.402 -1.515 7.939 1.00 0.00 H new ATOM 645 N GLU A 178 1.149 -0.809 10.938 1.00 0.00 N ATOM 646 CA GLU A 178 1.700 0.172 11.866 1.00 0.00 C ATOM 647 C GLU A 178 0.879 1.458 11.848 1.00 0.00 C ATOM 648 O GLU A 178 0.748 2.136 12.866 1.00 0.00 O ATOM 649 CB GLU A 178 3.157 0.479 11.513 1.00 0.00 C ATOM 650 CG GLU A 178 4.125 -0.622 11.914 1.00 0.00 C ATOM 651 CD GLU A 178 4.352 -0.680 13.412 1.00 0.00 C ATOM 652 OE1 GLU A 178 3.598 -1.399 14.100 1.00 0.00 O ATOM 653 OE2 GLU A 178 5.286 -0.007 13.897 1.00 0.00 O ATOM 0 H GLU A 178 1.420 -0.668 9.965 1.00 0.00 H new ATOM 0 HA GLU A 178 1.659 -0.251 12.870 1.00 0.00 H new ATOM 0 HB2 GLU A 178 3.234 0.646 10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 178 3.453 1.407 12.002 1.00 0.00 H new ATOM 0 HG2 GLU A 178 3.740 -1.582 11.571 1.00 0.00 H new ATOM 0 HG3 GLU A 178 5.079 -0.463 11.411 1.00 0.00 H new ATOM 660 N GLU A 179 0.329 1.786 10.682 1.00 0.00 N ATOM 661 CA GLU A 179 -0.477 2.991 10.531 1.00 0.00 C ATOM 662 C GLU A 179 -1.358 2.904 9.288 1.00 0.00 C ATOM 663 O GLU A 179 -1.018 2.225 8.319 1.00 0.00 O ATOM 664 CB GLU A 179 0.422 4.226 10.447 1.00 0.00 C ATOM 665 CG GLU A 179 -0.236 5.495 10.965 1.00 0.00 C ATOM 666 CD GLU A 179 0.566 6.741 10.644 1.00 0.00 C ATOM 667 OE1 GLU A 179 1.345 6.711 9.668 1.00 0.00 O ATOM 668 OE2 GLU A 179 0.415 7.746 11.369 1.00 0.00 O ATOM 0 H GLU A 179 0.427 1.234 9.830 1.00 0.00 H new ATOM 0 HA GLU A 179 -1.121 3.078 11.406 1.00 0.00 H new ATOM 0 HB2 GLU A 179 1.333 4.041 11.016 1.00 0.00 H new ATOM 0 HB3 GLU A 179 0.719 4.379 9.410 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -1.232 5.587 10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -0.365 5.418 12.045 1.00 0.00 H new ATOM 675 N CYS A 180 -2.491 3.596 9.324 1.00 0.00 N ATOM 676 CA CYS A 180 -3.423 3.597 8.202 1.00 0.00 C ATOM 677 C CYS A 180 -3.930 5.007 7.917 1.00 0.00 C ATOM 678 O CYS A 180 -4.518 5.654 8.784 1.00 0.00 O ATOM 679 CB CYS A 180 -4.602 2.666 8.490 1.00 0.00 C ATOM 680 SG CYS A 180 -5.709 2.419 7.082 1.00 0.00 S ATOM 0 H CYS A 180 -2.787 4.164 10.118 1.00 0.00 H new ATOM 0 HA CYS A 180 -2.892 3.237 7.321 1.00 0.00 H new ATOM 0 HB2 CYS A 180 -4.217 1.698 8.810 1.00 0.00 H new ATOM 0 HB3 CYS A 180 -5.176 3.071 9.323 1.00 0.00 H new ATOM 0 HG CYS A 180 -6.672 1.616 7.423 1.00 0.00 H new ATOM 686 N THR A 181 -3.698 5.478 6.696 1.00 0.00 N ATOM 687 CA THR A 181 -4.129 6.812 6.297 1.00 0.00 C ATOM 688 C THR A 181 -5.016 6.756 5.059 1.00 0.00 C ATOM 689 O THR A 181 -4.749 5.998 4.126 1.00 0.00 O ATOM 690 CB THR A 181 -2.925 7.729 6.011 1.00 0.00 C ATOM 691 OG1 THR A 181 -2.124 7.869 7.190 1.00 0.00 O ATOM 692 CG2 THR A 181 -3.388 9.100 5.541 1.00 0.00 C ATOM 0 H THR A 181 -3.214 4.955 5.966 1.00 0.00 H new ATOM 0 HA THR A 181 -4.699 7.222 7.130 1.00 0.00 H new ATOM 0 HB THR A 181 -2.330 7.273 5.220 1.00 0.00 H new ATOM 0 HG1 THR A 181 -1.360 8.452 6.999 1.00 0.00 H new ATOM 0 HG21 THR A 181 -2.520 9.730 5.345 1.00 0.00 H new ATOM 0 HG22 THR A 181 -3.972 8.993 4.627 1.00 0.00 H new ATOM 0 HG23 THR A 181 -4.004 9.561 6.313 1.00 0.00 H new ATOM 700 N ILE A 182 -6.072 7.564 5.056 1.00 0.00 N ATOM 701 CA ILE A 182 -6.997 7.607 3.930 1.00 0.00 C ATOM 702 C ILE A 182 -6.972 8.971 3.250 1.00 0.00 C ATOM 703 O ILE A 182 -7.361 9.979 3.841 1.00 0.00 O ATOM 704 CB ILE A 182 -8.438 7.293 4.374 1.00 0.00 C ATOM 705 CG1 ILE A 182 -8.495 5.932 5.071 1.00 0.00 C ATOM 706 CG2 ILE A 182 -9.378 7.322 3.179 1.00 0.00 C ATOM 707 CD1 ILE A 182 -7.989 4.793 4.214 1.00 0.00 C ATOM 0 H ILE A 182 -6.308 8.197 5.820 1.00 0.00 H new ATOM 0 HA ILE A 182 -6.669 6.845 3.222 1.00 0.00 H new ATOM 0 HB ILE A 182 -8.759 8.057 5.083 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -7.905 5.977 5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -9.524 5.726 5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -10.393 7.098 3.509 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -9.355 8.311 2.722 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -9.061 6.577 2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.059 3.859 4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.594 4.722 3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -6.950 4.976 3.942 1.00 0.00 H new ATOM 719 N LEU A 183 -6.514 8.996 2.003 1.00 0.00 N ATOM 720 CA LEU A 183 -6.440 10.237 1.240 1.00 0.00 C ATOM 721 C LEU A 183 -7.815 10.635 0.713 1.00 0.00 C ATOM 722 O LEU A 183 -8.273 10.121 -0.307 1.00 0.00 O ATOM 723 CB LEU A 183 -5.460 10.085 0.076 1.00 0.00 C ATOM 724 CG LEU A 183 -3.976 10.188 0.430 1.00 0.00 C ATOM 725 CD1 LEU A 183 -3.123 10.147 -0.828 1.00 0.00 C ATOM 726 CD2 LEU A 183 -3.703 11.459 1.220 1.00 0.00 C ATOM 0 H LEU A 183 -6.188 8.171 1.499 1.00 0.00 H new ATOM 0 HA LEU A 183 -6.085 11.023 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -5.634 9.118 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.689 10.848 -0.668 1.00 0.00 H new ATOM 0 HG LEU A 183 -3.711 9.333 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.070 10.222 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -3.296 9.209 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -3.390 10.982 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -2.642 11.515 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -3.985 12.326 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -4.286 11.447 2.141 1.00 0.00 H new ATOM 816 N SER A 190 -13.565 11.104 -0.116 1.00 0.00 N ATOM 817 CA SER A 190 -12.652 10.026 -0.479 1.00 0.00 C ATOM 818 C SER A 190 -12.201 10.163 -1.930 1.00 0.00 C ATOM 819 O SER A 190 -13.012 10.397 -2.826 1.00 0.00 O ATOM 820 CB SER A 190 -13.323 8.668 -0.267 1.00 0.00 C ATOM 821 OG SER A 190 -12.670 7.655 -1.012 1.00 0.00 O ATOM 0 HA SER A 190 -11.774 10.093 0.164 1.00 0.00 H new ATOM 0 HB2 SER A 190 -13.307 8.412 0.792 1.00 0.00 H new ATOM 0 HB3 SER A 190 -14.370 8.726 -0.565 1.00 0.00 H new ATOM 0 HG SER A 190 -12.889 6.778 -0.633 1.00 0.00 H new ATOM 827 N LYS A 191 -10.900 10.014 -2.155 1.00 0.00 N ATOM 828 CA LYS A 191 -10.337 10.118 -3.496 1.00 0.00 C ATOM 829 C LYS A 191 -9.964 8.742 -4.038 1.00 0.00 C ATOM 830 O LYS A 191 -9.227 8.629 -5.017 1.00 0.00 O ATOM 831 CB LYS A 191 -9.104 11.025 -3.485 1.00 0.00 C ATOM 832 CG LYS A 191 -9.416 12.471 -3.141 1.00 0.00 C ATOM 833 CD LYS A 191 -9.766 13.276 -4.381 1.00 0.00 C ATOM 834 CE LYS A 191 -8.528 13.898 -5.010 1.00 0.00 C ATOM 835 NZ LYS A 191 -7.690 12.883 -5.705 1.00 0.00 N ATOM 0 H LYS A 191 -10.215 9.821 -1.425 1.00 0.00 H new ATOM 0 HA LYS A 191 -11.095 10.553 -4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 191 -8.384 10.636 -2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 191 -8.627 10.988 -4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 191 -10.247 12.507 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 191 -8.557 12.921 -2.644 1.00 0.00 H new ATOM 0 HD2 LYS A 191 -10.259 12.631 -5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 191 -10.475 14.061 -4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 191 -8.829 14.668 -5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 191 -7.937 14.390 -4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 191 -7.115 13.349 -6.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 191 -7.065 12.418 -5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 191 -8.304 12.171 -6.150 1.00 0.00 H new ATOM 849 N GLY A 192 -10.480 7.698 -3.396 1.00 0.00 N ATOM 850 CA GLY A 192 -10.191 6.344 -3.830 1.00 0.00 C ATOM 851 C GLY A 192 -8.716 6.006 -3.733 1.00 0.00 C ATOM 852 O GLY A 192 -8.196 5.231 -4.536 1.00 0.00 O ATOM 0 H GLY A 192 -11.093 7.766 -2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -10.762 5.642 -3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -10.523 6.218 -4.861 1.00 0.00 H new ATOM 856 N CYS A 193 -8.041 6.590 -2.749 1.00 0.00 N ATOM 857 CA CYS A 193 -6.616 6.349 -2.552 1.00 0.00 C ATOM 858 C CYS A 193 -6.251 6.426 -1.073 1.00 0.00 C ATOM 859 O CYS A 193 -6.793 7.246 -0.332 1.00 0.00 O ATOM 860 CB CYS A 193 -5.791 7.363 -3.347 1.00 0.00 C ATOM 861 SG CYS A 193 -6.367 7.616 -5.042 1.00 0.00 S ATOM 0 H CYS A 193 -8.457 7.233 -2.076 1.00 0.00 H new ATOM 0 HA CYS A 193 -6.389 5.345 -2.912 1.00 0.00 H new ATOM 0 HB2 CYS A 193 -5.806 8.319 -2.823 1.00 0.00 H new ATOM 0 HB3 CYS A 193 -4.753 7.030 -3.373 1.00 0.00 H new ATOM 0 HG CYS A 193 -7.607 8.007 -5.025 1.00 0.00 H new ATOM 867 N ALA A 194 -5.331 5.566 -0.650 1.00 0.00 N ATOM 868 CA ALA A 194 -4.894 5.536 0.740 1.00 0.00 C ATOM 869 C ALA A 194 -3.540 4.847 0.875 1.00 0.00 C ATOM 870 O ALA A 194 -3.124 4.095 -0.006 1.00 0.00 O ATOM 871 CB ALA A 194 -5.933 4.839 1.605 1.00 0.00 C ATOM 0 H ALA A 194 -4.873 4.880 -1.251 1.00 0.00 H new ATOM 0 HA ALA A 194 -4.784 6.565 1.083 1.00 0.00 H new ATOM 0 HB1 ALA A 194 -5.593 4.824 2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -6.879 5.376 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 194 -6.072 3.817 1.254 1.00 0.00 H new ATOM 877 N PHE A 195 -2.857 5.108 1.985 1.00 0.00 N ATOM 878 CA PHE A 195 -1.549 4.514 2.235 1.00 0.00 C ATOM 879 C PHE A 195 -1.594 3.590 3.448 1.00 0.00 C ATOM 880 O PHE A 195 -2.141 3.944 4.492 1.00 0.00 O ATOM 881 CB PHE A 195 -0.501 5.608 2.452 1.00 0.00 C ATOM 882 CG PHE A 195 -0.133 6.343 1.195 1.00 0.00 C ATOM 883 CD1 PHE A 195 0.830 5.837 0.337 1.00 0.00 C ATOM 884 CD2 PHE A 195 -0.750 7.541 0.871 1.00 0.00 C ATOM 885 CE1 PHE A 195 1.171 6.512 -0.820 1.00 0.00 C ATOM 886 CE2 PHE A 195 -0.413 8.221 -0.284 1.00 0.00 C ATOM 887 CZ PHE A 195 0.548 7.705 -1.131 1.00 0.00 C ATOM 0 H PHE A 195 -3.188 5.727 2.725 1.00 0.00 H new ATOM 0 HA PHE A 195 -1.273 3.924 1.361 1.00 0.00 H new ATOM 0 HB2 PHE A 195 -0.879 6.322 3.184 1.00 0.00 H new ATOM 0 HB3 PHE A 195 0.397 5.160 2.878 1.00 0.00 H new ATOM 0 HD1 PHE A 195 1.320 4.904 0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 195 -1.503 7.948 1.529 1.00 0.00 H new ATOM 0 HE1 PHE A 195 1.924 6.107 -1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 195 -0.900 9.154 -0.524 1.00 0.00 H new ATOM 0 HZ PHE A 195 0.812 8.233 -2.035 1.00 0.00 H new ATOM 897 N VAL A 196 -1.016 2.402 3.301 1.00 0.00 N ATOM 898 CA VAL A 196 -0.989 1.426 4.384 1.00 0.00 C ATOM 899 C VAL A 196 0.440 1.136 4.827 1.00 0.00 C ATOM 900 O VAL A 196 1.307 0.830 4.008 1.00 0.00 O ATOM 901 CB VAL A 196 -1.663 0.105 3.965 1.00 0.00 C ATOM 902 CG1 VAL A 196 -1.597 -0.910 5.096 1.00 0.00 C ATOM 903 CG2 VAL A 196 -3.103 0.353 3.543 1.00 0.00 C ATOM 0 H VAL A 196 -0.560 2.092 2.443 1.00 0.00 H new ATOM 0 HA VAL A 196 -1.543 1.861 5.216 1.00 0.00 H new ATOM 0 HB VAL A 196 -1.123 -0.304 3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 196 -2.078 -1.836 4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 196 -0.555 -1.109 5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 196 -2.111 -0.513 5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 196 -3.564 -0.590 3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 196 -3.657 0.784 4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 196 -3.121 1.043 2.699 1.00 0.00 H new ATOM 913 N LYS A 197 0.681 1.233 6.130 1.00 0.00 N ATOM 914 CA LYS A 197 2.005 0.980 6.686 1.00 0.00 C ATOM 915 C LYS A 197 2.118 -0.455 7.190 1.00 0.00 C ATOM 916 O LYS A 197 1.151 -1.023 7.698 1.00 0.00 O ATOM 917 CB LYS A 197 2.297 1.957 7.827 1.00 0.00 C ATOM 918 CG LYS A 197 3.772 2.285 7.984 1.00 0.00 C ATOM 919 CD LYS A 197 3.976 3.578 8.756 1.00 0.00 C ATOM 920 CE LYS A 197 5.302 3.578 9.502 1.00 0.00 C ATOM 921 NZ LYS A 197 6.461 3.470 8.573 1.00 0.00 N ATOM 0 H LYS A 197 -0.025 1.485 6.822 1.00 0.00 H new ATOM 0 HA LYS A 197 2.739 1.127 5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 197 1.744 2.880 7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 197 1.926 1.534 8.760 1.00 0.00 H new ATOM 0 HG2 LYS A 197 4.274 1.468 8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 197 4.233 2.371 7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 197 3.944 4.423 8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 197 3.159 3.713 9.464 1.00 0.00 H new ATOM 0 HE2 LYS A 197 5.390 4.494 10.087 1.00 0.00 H new ATOM 0 HE3 LYS A 197 5.322 2.746 10.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 7.347 3.541 9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 6.428 2.554 8.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 6.419 4.239 7.874 1.00 0.00 H new ATOM 935 N TYR A 198 3.305 -1.035 7.047 1.00 0.00 N ATOM 936 CA TYR A 198 3.544 -2.404 7.487 1.00 0.00 C ATOM 937 C TYR A 198 4.787 -2.484 8.368 1.00 0.00 C ATOM 938 O TYR A 198 5.531 -1.513 8.501 1.00 0.00 O ATOM 939 CB TYR A 198 3.701 -3.330 6.279 1.00 0.00 C ATOM 940 CG TYR A 198 2.398 -3.935 5.807 1.00 0.00 C ATOM 941 CD1 TYR A 198 1.398 -3.140 5.261 1.00 0.00 C ATOM 942 CD2 TYR A 198 2.168 -5.302 5.906 1.00 0.00 C ATOM 943 CE1 TYR A 198 0.206 -3.689 4.829 1.00 0.00 C ATOM 944 CE2 TYR A 198 0.980 -5.859 5.475 1.00 0.00 C ATOM 945 CZ TYR A 198 0.002 -5.049 4.937 1.00 0.00 C ATOM 946 OH TYR A 198 -1.184 -5.599 4.507 1.00 0.00 O ATOM 0 H TYR A 198 4.116 -0.578 6.630 1.00 0.00 H new ATOM 0 HA TYR A 198 2.684 -2.726 8.074 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.150 -2.770 5.459 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.393 -4.132 6.534 1.00 0.00 H new ATOM 0 HD1 TYR A 198 1.555 -2.075 5.173 1.00 0.00 H new ATOM 0 HD2 TYR A 198 2.931 -5.940 6.327 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -0.562 -3.057 4.409 1.00 0.00 H new ATOM 0 HE2 TYR A 198 0.818 -6.923 5.559 1.00 0.00 H new ATOM 0 HH TYR A 198 -1.544 -5.064 3.769 1.00 0.00 H new ATOM 956 N SER A 199 5.005 -3.650 8.968 1.00 0.00 N ATOM 957 CA SER A 199 6.155 -3.858 9.839 1.00 0.00 C ATOM 958 C SER A 199 7.384 -4.263 9.030 1.00 0.00 C ATOM 959 O SER A 199 8.517 -4.118 9.487 1.00 0.00 O ATOM 960 CB SER A 199 5.843 -4.931 10.884 1.00 0.00 C ATOM 961 OG SER A 199 5.642 -6.194 10.274 1.00 0.00 O ATOM 0 H SER A 199 4.400 -4.465 8.867 1.00 0.00 H new ATOM 0 HA SER A 199 6.369 -2.917 10.347 1.00 0.00 H new ATOM 0 HB2 SER A 199 6.663 -4.996 11.599 1.00 0.00 H new ATOM 0 HB3 SER A 199 4.952 -4.649 11.445 1.00 0.00 H new ATOM 0 HG SER A 199 5.446 -6.863 10.963 1.00 0.00 H new ATOM 967 N SER A 200 7.149 -4.771 7.824 1.00 0.00 N ATOM 968 CA SER A 200 8.236 -5.201 6.952 1.00 0.00 C ATOM 969 C SER A 200 7.757 -5.319 5.508 1.00 0.00 C ATOM 970 O SER A 200 6.576 -5.130 5.215 1.00 0.00 O ATOM 971 CB SER A 200 8.799 -6.541 7.426 1.00 0.00 C ATOM 972 OG SER A 200 9.834 -6.352 8.375 1.00 0.00 O ATOM 0 H SER A 200 6.217 -4.895 7.429 1.00 0.00 H new ATOM 0 HA SER A 200 9.024 -4.449 6.996 1.00 0.00 H new ATOM 0 HB2 SER A 200 8.001 -7.139 7.867 1.00 0.00 H new ATOM 0 HB3 SER A 200 9.182 -7.101 6.572 1.00 0.00 H new ATOM 0 HG SER A 200 9.615 -5.589 8.950 1.00 0.00 H new ATOM 978 N HIS A 201 8.684 -5.634 4.608 1.00 0.00 N ATOM 979 CA HIS A 201 8.359 -5.779 3.194 1.00 0.00 C ATOM 980 C HIS A 201 7.670 -7.114 2.929 1.00 0.00 C ATOM 981 O HIS A 201 6.755 -7.200 2.110 1.00 0.00 O ATOM 982 CB HIS A 201 9.624 -5.668 2.343 1.00 0.00 C ATOM 983 CG HIS A 201 9.506 -6.327 1.004 1.00 0.00 C ATOM 984 ND1 HIS A 201 9.543 -7.634 0.654 1.00 0.00 N flip ATOM 985 CD2 HIS A 201 9.328 -5.623 -0.169 1.00 0.00 C flip ATOM 986 CE1 HIS A 201 9.386 -7.695 -0.709 1.00 0.00 C flip ATOM 987 NE2 HIS A 201 9.258 -6.468 -1.181 1.00 0.00 N flip ATOM 0 H HIS A 201 9.666 -5.794 4.833 1.00 0.00 H new ATOM 0 HA HIS A 201 7.675 -4.976 2.921 1.00 0.00 H new ATOM 0 HB2 HIS A 201 9.864 -4.614 2.200 1.00 0.00 H new ATOM 0 HB3 HIS A 201 10.457 -6.114 2.886 1.00 0.00 H new ATOM 0 HD2 HIS A 201 9.257 -4.548 -0.247 1.00 0.00 H new ATOM 0 HE1 HIS A 201 9.370 -8.599 -1.299 1.00 0.00 H new ATOM 0 HE2 HIS A 201 9.127 -6.216 -2.161 1.00 0.00 H new ATOM 995 N ALA A 202 8.116 -8.154 3.627 1.00 0.00 N ATOM 996 CA ALA A 202 7.542 -9.484 3.468 1.00 0.00 C ATOM 997 C ALA A 202 6.027 -9.452 3.638 1.00 0.00 C ATOM 998 O ALA A 202 5.282 -9.717 2.696 1.00 0.00 O ATOM 999 CB ALA A 202 8.166 -10.451 4.463 1.00 0.00 C ATOM 0 H ALA A 202 8.873 -8.100 4.308 1.00 0.00 H new ATOM 0 HA ALA A 202 7.761 -9.828 2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 202 7.728 -11.440 4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 202 9.241 -10.505 4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 202 7.977 -10.101 5.478 1.00 0.00 H new ATOM 1005 N GLU A 203 5.578 -9.125 4.847 1.00 0.00 N ATOM 1006 CA GLU A 203 4.152 -9.060 5.140 1.00 0.00 C ATOM 1007 C GLU A 203 3.414 -8.253 4.075 1.00 0.00 C ATOM 1008 O GLU A 203 2.321 -8.622 3.648 1.00 0.00 O ATOM 1009 CB GLU A 203 3.919 -8.440 6.519 1.00 0.00 C ATOM 1010 CG GLU A 203 4.162 -9.403 7.668 1.00 0.00 C ATOM 1011 CD GLU A 203 5.630 -9.740 7.847 1.00 0.00 C ATOM 1012 OE1 GLU A 203 6.466 -8.817 7.759 1.00 0.00 O ATOM 1013 OE2 GLU A 203 5.941 -10.928 8.076 1.00 0.00 O ATOM 0 H GLU A 203 6.182 -8.901 5.638 1.00 0.00 H new ATOM 0 HA GLU A 203 3.760 -10.077 5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 203 4.574 -7.576 6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 203 2.894 -8.073 6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 203 3.778 -8.967 8.590 1.00 0.00 H new ATOM 0 HG3 GLU A 203 3.601 -10.321 7.492 1.00 0.00 H new ATOM 1020 N ALA A 204 4.020 -7.149 3.653 1.00 0.00 N ATOM 1021 CA ALA A 204 3.423 -6.289 2.639 1.00 0.00 C ATOM 1022 C ALA A 204 3.177 -7.057 1.344 1.00 0.00 C ATOM 1023 O ALA A 204 2.041 -7.164 0.883 1.00 0.00 O ATOM 1024 CB ALA A 204 4.313 -5.083 2.378 1.00 0.00 C ATOM 0 H ALA A 204 4.925 -6.829 3.998 1.00 0.00 H new ATOM 0 HA ALA A 204 2.460 -5.942 3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 204 3.854 -4.450 1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 204 4.434 -4.514 3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 204 5.289 -5.420 2.028 1.00 0.00 H new ATOM 1030 N GLN A 205 4.248 -7.588 0.764 1.00 0.00 N ATOM 1031 CA GLN A 205 4.147 -8.345 -0.478 1.00 0.00 C ATOM 1032 C GLN A 205 2.989 -9.335 -0.420 1.00 0.00 C ATOM 1033 O GLN A 205 2.246 -9.494 -1.388 1.00 0.00 O ATOM 1034 CB GLN A 205 5.455 -9.088 -0.755 1.00 0.00 C ATOM 1035 CG GLN A 205 5.497 -9.758 -2.119 1.00 0.00 C ATOM 1036 CD GLN A 205 5.838 -8.789 -3.235 1.00 0.00 C ATOM 1037 OE1 GLN A 205 6.950 -8.265 -3.300 1.00 0.00 O ATOM 1038 NE2 GLN A 205 4.879 -8.547 -4.122 1.00 0.00 N ATOM 0 H GLN A 205 5.195 -7.508 1.134 1.00 0.00 H new ATOM 0 HA GLN A 205 3.959 -7.641 -1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 205 6.285 -8.386 -0.679 1.00 0.00 H new ATOM 0 HB3 GLN A 205 5.604 -9.843 0.016 1.00 0.00 H new ATOM 0 HG2 GLN A 205 6.234 -10.561 -2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 205 4.530 -10.217 -2.324 1.00 0.00 H new ATOM 0 HE21 GLN A 205 3.972 -9.004 -4.029 1.00 0.00 H new ATOM 0 HE22 GLN A 205 5.050 -7.905 -4.896 1.00 0.00 H new ATOM 1047 N ALA A 206 2.841 -9.999 0.722 1.00 0.00 N ATOM 1048 CA ALA A 206 1.772 -10.972 0.907 1.00 0.00 C ATOM 1049 C ALA A 206 0.403 -10.320 0.749 1.00 0.00 C ATOM 1050 O ALA A 206 -0.432 -10.787 -0.025 1.00 0.00 O ATOM 1051 CB ALA A 206 1.891 -11.633 2.272 1.00 0.00 C ATOM 0 H ALA A 206 3.448 -9.880 1.533 1.00 0.00 H new ATOM 0 HA ALA A 206 1.872 -11.736 0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 206 1.086 -12.357 2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 206 2.852 -12.142 2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 206 1.820 -10.874 3.051 1.00 0.00 H new ATOM 1057 N ALA A 207 0.178 -9.240 1.490 1.00 0.00 N ATOM 1058 CA ALA A 207 -1.090 -8.523 1.431 1.00 0.00 C ATOM 1059 C ALA A 207 -1.331 -7.947 0.040 1.00 0.00 C ATOM 1060 O ALA A 207 -2.475 -7.778 -0.383 1.00 0.00 O ATOM 1061 CB ALA A 207 -1.120 -7.417 2.475 1.00 0.00 C ATOM 0 H ALA A 207 0.858 -8.842 2.138 1.00 0.00 H new ATOM 0 HA ALA A 207 -1.890 -9.232 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 207 -2.073 -6.890 2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 207 -1.003 -7.851 3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 207 -0.306 -6.717 2.287 1.00 0.00 H new ATOM 1067 N ILE A 208 -0.247 -7.647 -0.667 1.00 0.00 N ATOM 1068 CA ILE A 208 -0.341 -7.090 -2.011 1.00 0.00 C ATOM 1069 C ILE A 208 -0.914 -8.109 -2.989 1.00 0.00 C ATOM 1070 O ILE A 208 -2.074 -8.017 -3.390 1.00 0.00 O ATOM 1071 CB ILE A 208 1.033 -6.619 -2.523 1.00 0.00 C ATOM 1072 CG1 ILE A 208 1.536 -5.440 -1.689 1.00 0.00 C ATOM 1073 CG2 ILE A 208 0.947 -6.236 -3.993 1.00 0.00 C ATOM 1074 CD1 ILE A 208 2.998 -5.122 -1.911 1.00 0.00 C ATOM 0 H ILE A 208 0.707 -7.780 -0.332 1.00 0.00 H new ATOM 0 HA ILE A 208 -1.010 -6.232 -1.951 1.00 0.00 H new ATOM 0 HB ILE A 208 1.743 -7.440 -2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 208 0.941 -4.558 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 208 1.376 -5.658 -0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 208 1.926 -5.905 -4.341 1.00 0.00 H new ATOM 0 HG22 ILE A 208 0.628 -7.100 -4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 208 0.226 -5.428 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 208 3.285 -4.275 -1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 208 3.603 -5.989 -1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 208 3.161 -4.872 -2.959 1.00 0.00 H new ATOM 1086 N ASN A 209 -0.093 -9.083 -3.369 1.00 0.00 N ATOM 1087 CA ASN A 209 -0.519 -10.122 -4.300 1.00 0.00 C ATOM 1088 C ASN A 209 -1.889 -10.671 -3.913 1.00 0.00 C ATOM 1089 O ASN A 209 -2.751 -10.875 -4.768 1.00 0.00 O ATOM 1090 CB ASN A 209 0.507 -11.257 -4.334 1.00 0.00 C ATOM 1091 CG ASN A 209 -0.071 -12.542 -4.894 1.00 0.00 C ATOM 1092 OD1 ASN A 209 -0.691 -12.546 -5.958 1.00 0.00 O ATOM 1093 ND2 ASN A 209 0.129 -13.642 -4.177 1.00 0.00 N ATOM 0 H ASN A 209 0.870 -9.174 -3.047 1.00 0.00 H new ATOM 0 HA ASN A 209 -0.593 -9.678 -5.293 1.00 0.00 H new ATOM 0 HB2 ASN A 209 1.362 -10.953 -4.938 1.00 0.00 H new ATOM 0 HB3 ASN A 209 0.878 -11.438 -3.325 1.00 0.00 H new ATOM 0 HD21 ASN A 209 -0.237 -14.537 -4.503 1.00 0.00 H new ATOM 0 HD22 ASN A 209 0.649 -13.592 -3.301 1.00 0.00 H new ATOM 1100 N ALA A 210 -2.082 -10.908 -2.620 1.00 0.00 N ATOM 1101 CA ALA A 210 -3.347 -11.431 -2.120 1.00 0.00 C ATOM 1102 C ALA A 210 -4.512 -10.536 -2.531 1.00 0.00 C ATOM 1103 O ALA A 210 -5.573 -11.023 -2.924 1.00 0.00 O ATOM 1104 CB ALA A 210 -3.298 -11.572 -0.605 1.00 0.00 C ATOM 0 H ALA A 210 -1.378 -10.746 -1.900 1.00 0.00 H new ATOM 0 HA ALA A 210 -3.505 -12.415 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 210 -4.249 -11.964 -0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 210 -2.496 -12.257 -0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 210 -3.113 -10.597 -0.155 1.00 0.00 H new ATOM 1110 N LEU A 211 -4.308 -9.227 -2.439 1.00 0.00 N ATOM 1111 CA LEU A 211 -5.342 -8.264 -2.801 1.00 0.00 C ATOM 1112 C LEU A 211 -5.083 -7.684 -4.188 1.00 0.00 C ATOM 1113 O LEU A 211 -5.816 -7.965 -5.137 1.00 0.00 O ATOM 1114 CB LEU A 211 -5.402 -7.138 -1.768 1.00 0.00 C ATOM 1115 CG LEU A 211 -5.615 -7.569 -0.316 1.00 0.00 C ATOM 1116 CD1 LEU A 211 -5.558 -6.366 0.612 1.00 0.00 C ATOM 1117 CD2 LEU A 211 -6.942 -8.299 -0.166 1.00 0.00 C ATOM 0 H LEU A 211 -3.436 -8.808 -2.117 1.00 0.00 H new ATOM 0 HA LEU A 211 -6.300 -8.785 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -4.473 -6.570 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.208 -6.459 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.813 -8.253 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -5.712 -6.692 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -4.583 -5.886 0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -6.338 -5.656 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -7.077 -8.598 0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -7.756 -7.638 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -6.944 -9.184 -0.802 1.00 0.00 H new ATOM 1129 N HIS A 212 -4.035 -6.873 -4.299 1.00 0.00 N ATOM 1130 CA HIS A 212 -3.678 -6.256 -5.571 1.00 0.00 C ATOM 1131 C HIS A 212 -3.560 -7.306 -6.671 1.00 0.00 C ATOM 1132 O HIS A 212 -2.822 -8.281 -6.535 1.00 0.00 O ATOM 1133 CB HIS A 212 -2.362 -5.489 -5.438 1.00 0.00 C ATOM 1134 CG HIS A 212 -1.682 -5.234 -6.748 1.00 0.00 C ATOM 1135 ND1 HIS A 212 -2.193 -4.385 -7.708 1.00 0.00 N ATOM 1136 CD2 HIS A 212 -0.525 -5.720 -7.255 1.00 0.00 C ATOM 1137 CE1 HIS A 212 -1.380 -4.361 -8.749 1.00 0.00 C ATOM 1138 NE2 HIS A 212 -0.360 -5.162 -8.499 1.00 0.00 N ATOM 0 H HIS A 212 -3.419 -6.628 -3.524 1.00 0.00 H new ATOM 0 HA HIS A 212 -4.470 -5.559 -5.843 1.00 0.00 H new ATOM 0 HB2 HIS A 212 -2.555 -4.535 -4.947 1.00 0.00 H new ATOM 0 HB3 HIS A 212 -1.688 -6.050 -4.791 1.00 0.00 H new ATOM 0 HD1 HIS A 212 -3.063 -3.858 -7.627 1.00 0.00 H new ATOM 0 HD2 HIS A 212 0.144 -6.417 -6.771 1.00 0.00 H new ATOM 0 HE1 HIS A 212 -1.525 -3.785 -9.651 1.00 0.00 H new ATOM 1146 N GLY A 213 -4.293 -7.100 -7.761 1.00 0.00 N ATOM 1147 CA GLY A 213 -4.257 -8.038 -8.868 1.00 0.00 C ATOM 1148 C GLY A 213 -5.207 -9.202 -8.673 1.00 0.00 C ATOM 1149 O GLY A 213 -5.437 -9.986 -9.593 1.00 0.00 O ATOM 0 H GLY A 213 -4.911 -6.300 -7.897 1.00 0.00 H new ATOM 0 HA2 GLY A 213 -4.511 -7.516 -9.791 1.00 0.00 H new ATOM 0 HA3 GLY A 213 -3.242 -8.417 -8.986 1.00 0.00 H new ATOM 1153 N SER A 214 -5.760 -9.317 -7.469 1.00 0.00 N ATOM 1154 CA SER A 214 -6.687 -10.398 -7.154 1.00 0.00 C ATOM 1155 C SER A 214 -8.133 -9.927 -7.279 1.00 0.00 C ATOM 1156 O SER A 214 -8.828 -10.271 -8.234 1.00 0.00 O ATOM 1157 CB SER A 214 -6.430 -10.923 -5.740 1.00 0.00 C ATOM 1158 OG SER A 214 -5.202 -11.628 -5.674 1.00 0.00 O ATOM 0 H SER A 214 -5.582 -8.675 -6.696 1.00 0.00 H new ATOM 0 HA SER A 214 -6.523 -11.204 -7.869 1.00 0.00 H new ATOM 0 HB2 SER A 214 -6.413 -10.090 -5.037 1.00 0.00 H new ATOM 0 HB3 SER A 214 -7.246 -11.579 -5.438 1.00 0.00 H new ATOM 0 HG SER A 214 -4.516 -11.053 -5.274 1.00 0.00 H new ATOM 1164 N GLN A 215 -8.578 -9.139 -6.306 1.00 0.00 N ATOM 1165 CA GLN A 215 -9.941 -8.621 -6.305 1.00 0.00 C ATOM 1166 C GLN A 215 -10.023 -7.302 -7.066 1.00 0.00 C ATOM 1167 O GLN A 215 -9.002 -6.682 -7.368 1.00 0.00 O ATOM 1168 CB GLN A 215 -10.435 -8.428 -4.871 1.00 0.00 C ATOM 1169 CG GLN A 215 -10.563 -9.727 -4.091 1.00 0.00 C ATOM 1170 CD GLN A 215 -9.277 -10.115 -3.389 1.00 0.00 C ATOM 1171 OE1 GLN A 215 -8.505 -9.256 -2.963 1.00 0.00 O ATOM 1172 NE2 GLN A 215 -9.040 -11.416 -3.265 1.00 0.00 N ATOM 0 H GLN A 215 -8.015 -8.845 -5.508 1.00 0.00 H new ATOM 0 HA GLN A 215 -10.579 -9.349 -6.806 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -9.748 -7.765 -4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -11.405 -7.930 -4.893 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -11.359 -9.626 -3.353 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -10.857 -10.527 -4.770 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -9.708 -12.093 -3.633 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -8.190 -11.738 -2.802 1.00 0.00 H new ATOM 1181 N THR A 216 -11.244 -6.876 -7.374 1.00 0.00 N ATOM 1182 CA THR A 216 -11.459 -5.631 -8.101 1.00 0.00 C ATOM 1183 C THR A 216 -12.591 -4.821 -7.481 1.00 0.00 C ATOM 1184 O THR A 216 -13.764 -5.166 -7.623 1.00 0.00 O ATOM 1185 CB THR A 216 -11.784 -5.895 -9.583 1.00 0.00 C ATOM 1186 OG1 THR A 216 -10.775 -6.729 -10.165 1.00 0.00 O ATOM 1187 CG2 THR A 216 -11.878 -4.589 -10.357 1.00 0.00 C ATOM 0 H THR A 216 -12.100 -7.375 -7.131 1.00 0.00 H new ATOM 0 HA THR A 216 -10.531 -5.063 -8.036 1.00 0.00 H new ATOM 0 HB THR A 216 -12.748 -6.401 -9.636 1.00 0.00 H new ATOM 0 HG1 THR A 216 -10.450 -6.320 -10.994 1.00 0.00 H new ATOM 0 HG21 THR A 216 -12.108 -4.801 -11.401 1.00 0.00 H new ATOM 0 HG22 THR A 216 -12.666 -3.969 -9.930 1.00 0.00 H new ATOM 0 HG23 THR A 216 -10.927 -4.060 -10.295 1.00 0.00 H new ATOM 1195 N MET A 217 -12.233 -3.742 -6.793 1.00 0.00 N ATOM 1196 CA MET A 217 -13.221 -2.882 -6.152 1.00 0.00 C ATOM 1197 C MET A 217 -14.473 -2.755 -7.015 1.00 0.00 C ATOM 1198 O MET A 217 -14.439 -2.944 -8.231 1.00 0.00 O ATOM 1199 CB MET A 217 -12.627 -1.496 -5.888 1.00 0.00 C ATOM 1200 CG MET A 217 -11.649 -1.466 -4.726 1.00 0.00 C ATOM 1201 SD MET A 217 -12.469 -1.577 -3.124 1.00 0.00 S ATOM 1202 CE MET A 217 -11.519 -2.883 -2.347 1.00 0.00 C ATOM 0 H MET A 217 -11.266 -3.442 -6.665 1.00 0.00 H new ATOM 0 HA MET A 217 -13.501 -3.337 -5.202 1.00 0.00 H new ATOM 0 HB2 MET A 217 -12.120 -1.150 -6.788 1.00 0.00 H new ATOM 0 HB3 MET A 217 -13.437 -0.794 -5.689 1.00 0.00 H new ATOM 0 HG2 MET A 217 -10.945 -2.292 -4.827 1.00 0.00 H new ATOM 0 HG3 MET A 217 -11.068 -0.545 -4.769 1.00 0.00 H new ATOM 0 HE1 MET A 217 -11.534 -2.750 -1.265 1.00 0.00 H new ATOM 0 HE2 MET A 217 -11.955 -3.850 -2.599 1.00 0.00 H new ATOM 0 HE3 MET A 217 -10.489 -2.845 -2.703 1.00 0.00 H new ATOM 1212 N PRO A 218 -15.604 -2.429 -6.373 1.00 0.00 N ATOM 1213 CA PRO A 218 -16.888 -2.271 -7.063 1.00 0.00 C ATOM 1214 C PRO A 218 -16.922 -1.028 -7.946 1.00 0.00 C ATOM 1215 O PRO A 218 -16.747 0.091 -7.466 1.00 0.00 O ATOM 1216 CB PRO A 218 -17.893 -2.139 -5.916 1.00 0.00 C ATOM 1217 CG PRO A 218 -17.100 -1.595 -4.778 1.00 0.00 C ATOM 1218 CD PRO A 218 -15.718 -2.190 -4.924 1.00 0.00 C ATOM 0 HA PRO A 218 -17.095 -3.104 -7.736 1.00 0.00 H new ATOM 0 HB2 PRO A 218 -18.712 -1.471 -6.182 1.00 0.00 H new ATOM 0 HB3 PRO A 218 -18.336 -3.103 -5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 218 -17.063 -0.506 -4.811 1.00 0.00 H new ATOM 0 HG3 PRO A 218 -17.546 -1.870 -3.822 1.00 0.00 H new ATOM 0 HD2 PRO A 218 -14.946 -1.508 -4.567 1.00 0.00 H new ATOM 0 HD3 PRO A 218 -15.615 -3.114 -4.355 1.00 0.00 H new ATOM 1226 N GLY A 219 -17.148 -1.233 -9.240 1.00 0.00 N ATOM 1227 CA GLY A 219 -17.201 -0.120 -10.170 1.00 0.00 C ATOM 1228 C GLY A 219 -16.004 -0.084 -11.099 1.00 0.00 C ATOM 1229 O GLY A 219 -16.147 0.162 -12.297 1.00 0.00 O ATOM 0 H GLY A 219 -17.295 -2.150 -9.661 1.00 0.00 H new ATOM 0 HA2 GLY A 219 -18.114 -0.188 -10.761 1.00 0.00 H new ATOM 0 HA3 GLY A 219 -17.252 0.814 -9.611 1.00 0.00 H new ATOM 1233 N ALA A 220 -14.820 -0.327 -10.547 1.00 0.00 N ATOM 1234 CA ALA A 220 -13.594 -0.321 -11.335 1.00 0.00 C ATOM 1235 C ALA A 220 -13.467 -1.596 -12.162 1.00 0.00 C ATOM 1236 O ALA A 220 -13.861 -2.675 -11.720 1.00 0.00 O ATOM 1237 CB ALA A 220 -12.384 -0.155 -10.428 1.00 0.00 C ATOM 0 H ALA A 220 -14.684 -0.531 -9.557 1.00 0.00 H new ATOM 0 HA ALA A 220 -13.637 0.524 -12.022 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -11.475 -0.152 -11.030 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -12.462 0.787 -9.885 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -12.346 -0.981 -9.718 1.00 0.00 H new ATOM 1243 N SER A 221 -12.915 -1.464 -13.364 1.00 0.00 N ATOM 1244 CA SER A 221 -12.741 -2.605 -14.255 1.00 0.00 C ATOM 1245 C SER A 221 -11.355 -3.220 -14.084 1.00 0.00 C ATOM 1246 O SER A 221 -11.103 -4.341 -14.526 1.00 0.00 O ATOM 1247 CB SER A 221 -12.947 -2.180 -15.710 1.00 0.00 C ATOM 1248 OG SER A 221 -13.288 -3.289 -16.522 1.00 0.00 O ATOM 0 H SER A 221 -12.581 -0.578 -13.743 1.00 0.00 H new ATOM 0 HA SER A 221 -13.488 -3.355 -13.995 1.00 0.00 H new ATOM 0 HB2 SER A 221 -13.735 -1.429 -15.765 1.00 0.00 H new ATOM 0 HB3 SER A 221 -12.037 -1.715 -16.088 1.00 0.00 H new ATOM 0 HG SER A 221 -13.416 -2.990 -17.447 1.00 0.00 H new ATOM 1254 N SER A 222 -10.460 -2.478 -13.440 1.00 0.00 N ATOM 1255 CA SER A 222 -9.099 -2.948 -13.213 1.00 0.00 C ATOM 1256 C SER A 222 -8.937 -3.481 -11.793 1.00 0.00 C ATOM 1257 O SER A 222 -9.499 -2.932 -10.845 1.00 0.00 O ATOM 1258 CB SER A 222 -8.098 -1.817 -13.463 1.00 0.00 C ATOM 1259 OG SER A 222 -8.127 -1.401 -14.817 1.00 0.00 O ATOM 0 H SER A 222 -10.653 -1.549 -13.066 1.00 0.00 H new ATOM 0 HA SER A 222 -8.901 -3.761 -13.912 1.00 0.00 H new ATOM 0 HB2 SER A 222 -8.330 -0.972 -12.815 1.00 0.00 H new ATOM 0 HB3 SER A 222 -7.094 -2.152 -13.204 1.00 0.00 H new ATOM 0 HG SER A 222 -7.480 -0.677 -14.951 1.00 0.00 H new ATOM 1265 N SER A 223 -8.165 -4.554 -11.654 1.00 0.00 N ATOM 1266 CA SER A 223 -7.932 -5.165 -10.351 1.00 0.00 C ATOM 1267 C SER A 223 -7.330 -4.155 -9.378 1.00 0.00 C ATOM 1268 O SER A 223 -6.724 -3.164 -9.788 1.00 0.00 O ATOM 1269 CB SER A 223 -7.003 -6.372 -10.489 1.00 0.00 C ATOM 1270 OG SER A 223 -7.635 -7.423 -11.200 1.00 0.00 O ATOM 0 H SER A 223 -7.690 -5.018 -12.428 1.00 0.00 H new ATOM 0 HA SER A 223 -8.892 -5.497 -9.956 1.00 0.00 H new ATOM 0 HB2 SER A 223 -6.091 -6.076 -11.007 1.00 0.00 H new ATOM 0 HB3 SER A 223 -6.708 -6.723 -9.500 1.00 0.00 H new ATOM 0 HG SER A 223 -7.020 -8.182 -11.276 1.00 0.00 H new ATOM 1276 N LEU A 224 -7.502 -4.413 -8.086 1.00 0.00 N ATOM 1277 CA LEU A 224 -6.977 -3.528 -7.052 1.00 0.00 C ATOM 1278 C LEU A 224 -5.517 -3.180 -7.323 1.00 0.00 C ATOM 1279 O LEU A 224 -4.772 -3.981 -7.889 1.00 0.00 O ATOM 1280 CB LEU A 224 -7.110 -4.183 -5.676 1.00 0.00 C ATOM 1281 CG LEU A 224 -6.658 -3.339 -4.484 1.00 0.00 C ATOM 1282 CD1 LEU A 224 -7.578 -2.142 -4.299 1.00 0.00 C ATOM 1283 CD2 LEU A 224 -6.616 -4.182 -3.219 1.00 0.00 C ATOM 0 H LEU A 224 -8.001 -5.228 -7.730 1.00 0.00 H new ATOM 0 HA LEU A 224 -7.560 -2.607 -7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 224 -8.154 -4.458 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 224 -6.534 -5.109 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 224 -5.652 -2.971 -4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 224 -7.241 -1.553 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 224 -7.557 -1.525 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 224 -8.596 -2.489 -4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 224 -6.292 -3.565 -2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 224 -7.610 -4.580 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 224 -5.916 -5.006 -3.354 1.00 0.00 H new ATOM 1295 N VAL A 225 -5.113 -1.982 -6.914 1.00 0.00 N ATOM 1296 CA VAL A 225 -3.741 -1.529 -7.110 1.00 0.00 C ATOM 1297 C VAL A 225 -3.067 -1.226 -5.776 1.00 0.00 C ATOM 1298 O VAL A 225 -3.423 -0.265 -5.093 1.00 0.00 O ATOM 1299 CB VAL A 225 -3.686 -0.272 -7.998 1.00 0.00 C ATOM 1300 CG1 VAL A 225 -2.294 0.340 -7.972 1.00 0.00 C ATOM 1301 CG2 VAL A 225 -4.104 -0.608 -9.422 1.00 0.00 C ATOM 0 H VAL A 225 -5.717 -1.307 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 225 -3.208 -2.339 -7.608 1.00 0.00 H new ATOM 0 HB VAL A 225 -4.387 0.463 -7.602 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -2.275 1.227 -8.605 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -2.038 0.618 -6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -1.570 -0.386 -8.342 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -4.059 0.291 -10.036 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -3.430 -1.360 -9.831 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -5.123 -0.996 -9.420 1.00 0.00 H new ATOM 1311 N VAL A 226 -2.091 -2.051 -5.411 1.00 0.00 N ATOM 1312 CA VAL A 226 -1.366 -1.870 -4.160 1.00 0.00 C ATOM 1313 C VAL A 226 0.140 -1.972 -4.378 1.00 0.00 C ATOM 1314 O VAL A 226 0.689 -3.067 -4.497 1.00 0.00 O ATOM 1315 CB VAL A 226 -1.792 -2.912 -3.108 1.00 0.00 C ATOM 1316 CG1 VAL A 226 -1.149 -2.608 -1.764 1.00 0.00 C ATOM 1317 CG2 VAL A 226 -3.308 -2.955 -2.986 1.00 0.00 C ATOM 0 H VAL A 226 -1.784 -2.851 -5.964 1.00 0.00 H new ATOM 0 HA VAL A 226 -1.611 -0.873 -3.794 1.00 0.00 H new ATOM 0 HB VAL A 226 -1.448 -3.894 -3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 226 -1.462 -3.355 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 226 -0.064 -2.632 -1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 226 -1.460 -1.619 -1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 226 -3.592 -3.696 -2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 226 -3.677 -1.975 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 226 -3.743 -3.225 -3.948 1.00 0.00 H new ATOM 1327 N LYS A 227 0.803 -0.822 -4.429 1.00 0.00 N ATOM 1328 CA LYS A 227 2.247 -0.779 -4.631 1.00 0.00 C ATOM 1329 C LYS A 227 2.908 0.166 -3.633 1.00 0.00 C ATOM 1330 O LYS A 227 2.259 1.054 -3.079 1.00 0.00 O ATOM 1331 CB LYS A 227 2.569 -0.335 -6.060 1.00 0.00 C ATOM 1332 CG LYS A 227 1.534 0.605 -6.653 1.00 0.00 C ATOM 1333 CD LYS A 227 1.786 2.045 -6.239 1.00 0.00 C ATOM 1334 CE LYS A 227 1.327 3.022 -7.311 1.00 0.00 C ATOM 1335 NZ LYS A 227 2.308 3.124 -8.426 1.00 0.00 N ATOM 0 H LYS A 227 0.363 0.093 -4.333 1.00 0.00 H new ATOM 0 HA LYS A 227 2.642 -1.782 -4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 227 3.541 0.157 -6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 227 2.653 -1.217 -6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 227 1.553 0.529 -7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 227 0.538 0.302 -6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 227 1.262 2.254 -5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 227 2.849 2.188 -6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 227 0.362 2.702 -7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 227 1.179 4.006 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 1.958 3.799 -9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 3.222 3.454 -8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 2.430 2.190 -8.868 1.00 0.00 H new ATOM 1349 N PHE A 228 4.203 -0.030 -3.408 1.00 0.00 N ATOM 1350 CA PHE A 228 4.952 0.805 -2.477 1.00 0.00 C ATOM 1351 C PHE A 228 5.128 2.216 -3.032 1.00 0.00 C ATOM 1352 O PHE A 228 6.236 2.624 -3.378 1.00 0.00 O ATOM 1353 CB PHE A 228 6.321 0.184 -2.189 1.00 0.00 C ATOM 1354 CG PHE A 228 6.240 -1.174 -1.553 1.00 0.00 C ATOM 1355 CD1 PHE A 228 5.434 -1.390 -0.447 1.00 0.00 C ATOM 1356 CD2 PHE A 228 6.972 -2.236 -2.061 1.00 0.00 C ATOM 1357 CE1 PHE A 228 5.357 -2.639 0.140 1.00 0.00 C ATOM 1358 CE2 PHE A 228 6.899 -3.487 -1.479 1.00 0.00 C ATOM 1359 CZ PHE A 228 6.092 -3.689 -0.376 1.00 0.00 C ATOM 0 H PHE A 228 4.755 -0.760 -3.858 1.00 0.00 H new ATOM 0 HA PHE A 228 4.386 0.867 -1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 228 6.880 0.107 -3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 228 6.883 0.850 -1.535 1.00 0.00 H new ATOM 0 HD1 PHE A 228 4.859 -0.572 -0.038 1.00 0.00 H new ATOM 0 HD2 PHE A 228 7.607 -2.084 -2.922 1.00 0.00 H new ATOM 0 HE1 PHE A 228 4.723 -2.794 1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 228 7.473 -4.307 -1.886 1.00 0.00 H new ATOM 0 HZ PHE A 228 6.036 -4.666 0.082 1.00 0.00 H new