USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=20 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 215 GLN : amide:sc= -0.483 X(o=-0.55,f=-0.96) USER MOD Set 1.2: A 217 MET CE :methyl -161:sc= -0.0636 (180deg=-0.789) USER MOD Set 2.1: A 216 THR OG1 : rot 180:sc= -0.0131 USER MOD Set 2.2: A 223 SER OG : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 MET CE :methyl 167:sc= -0.353 (180deg=-0.656) USER MOD Single : A 159 ASN : amide:sc= -5.4! C(o=-5.4!,f=-9.1!) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 162 GLN : amide:sc= -1.63 X(o=-1.6,f=-1.2) USER MOD Single : A 163 SER OG : rot -60:sc= -0.111 USER MOD Single : A 176 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.9!) USER MOD Single : A 180 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 THR OG1 : rot 5:sc= 0.492 USER MOD Single : A 190 SER OG : rot 180:sc= 0 USER MOD Single : A 191 LYS NZ :NH3+ -166:sc=-0.00903 (180deg=-0.134) USER MOD Single : A 193 CYS SG : rot 1:sc= 0.202 USER MOD Single : A 197 LYS NZ :NH3+ -167:sc= -0.0539 (180deg=-0.204) USER MOD Single : A 198 TYR OH : rot -140:sc= -1.31 USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 200 SER OG : rot 180:sc= 0 USER MOD Single : A 201 HIS : no HD1:sc= -0.887 K(o=-0.89,f=-4.2!) USER MOD Single : A 205 GLN :FLIP amide:sc= -0.624 F(o=-1.2,f=-0.62) USER MOD Single : A 209 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 212 HIS : no HE2:sc= -1.74! C(o=-1.7!,f=-9.7!) USER MOD Single : A 214 SER OG : rot 180:sc= 0 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+ 170:sc= -0.0384 (180deg=-0.12) USER MOD ----------------------------------------------------------------- ATOM 217 N LYS A 152 6.103 2.313 2.951 1.00 0.00 N ATOM 218 CA LYS A 152 4.739 2.765 2.702 1.00 0.00 C ATOM 219 C LYS A 152 4.164 2.099 1.456 1.00 0.00 C ATOM 220 O LYS A 152 4.877 1.864 0.480 1.00 0.00 O ATOM 221 CB LYS A 152 4.706 4.287 2.542 1.00 0.00 C ATOM 222 CG LYS A 152 3.301 4.858 2.450 1.00 0.00 C ATOM 223 CD LYS A 152 3.315 6.293 1.952 1.00 0.00 C ATOM 224 CE LYS A 152 3.420 7.282 3.103 1.00 0.00 C ATOM 225 NZ LYS A 152 4.089 8.546 2.690 1.00 0.00 N ATOM 0 HA LYS A 152 4.127 2.482 3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 152 5.220 4.744 3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 152 5.261 4.562 1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 152 2.701 4.244 1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 152 2.825 4.816 3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 152 4.155 6.435 1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 152 2.407 6.491 1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 152 2.423 7.506 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 152 3.977 6.828 3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 4.141 9.193 3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 5.050 8.336 2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 3.544 8.993 1.925 1.00 0.00 H new ATOM 239 N LEU A 153 2.870 1.799 1.495 1.00 0.00 N ATOM 240 CA LEU A 153 2.198 1.162 0.369 1.00 0.00 C ATOM 241 C LEU A 153 1.098 2.059 -0.188 1.00 0.00 C ATOM 242 O LEU A 153 0.190 2.468 0.537 1.00 0.00 O ATOM 243 CB LEU A 153 1.608 -0.183 0.796 1.00 0.00 C ATOM 244 CG LEU A 153 2.616 -1.295 1.091 1.00 0.00 C ATOM 245 CD1 LEU A 153 1.955 -2.422 1.868 1.00 0.00 C ATOM 246 CD2 LEU A 153 3.223 -1.821 -0.202 1.00 0.00 C ATOM 0 H LEU A 153 2.266 1.987 2.295 1.00 0.00 H new ATOM 0 HA LEU A 153 2.936 0.995 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 153 1.001 -0.024 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 153 0.936 -0.528 0.010 1.00 0.00 H new ATOM 0 HG LEU A 153 3.417 -0.880 1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 153 2.687 -3.204 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 153 1.569 -2.036 2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 153 1.134 -2.835 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 153 3.938 -2.611 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 153 2.433 -2.219 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 153 3.733 -1.010 -0.721 1.00 0.00 H new ATOM 258 N PHE A 154 1.183 2.361 -1.479 1.00 0.00 N ATOM 259 CA PHE A 154 0.194 3.209 -2.133 1.00 0.00 C ATOM 260 C PHE A 154 -0.937 2.370 -2.722 1.00 0.00 C ATOM 261 O PHE A 154 -0.706 1.492 -3.553 1.00 0.00 O ATOM 262 CB PHE A 154 0.853 4.042 -3.234 1.00 0.00 C ATOM 263 CG PHE A 154 -0.119 4.875 -4.019 1.00 0.00 C ATOM 264 CD1 PHE A 154 -0.840 5.886 -3.405 1.00 0.00 C ATOM 265 CD2 PHE A 154 -0.313 4.647 -5.372 1.00 0.00 C ATOM 266 CE1 PHE A 154 -1.736 6.654 -4.125 1.00 0.00 C ATOM 267 CE2 PHE A 154 -1.207 5.411 -6.098 1.00 0.00 C ATOM 268 CZ PHE A 154 -1.919 6.417 -5.473 1.00 0.00 C ATOM 0 H PHE A 154 1.927 2.031 -2.093 1.00 0.00 H new ATOM 0 HA PHE A 154 -0.226 3.879 -1.383 1.00 0.00 H new ATOM 0 HB2 PHE A 154 1.600 4.696 -2.785 1.00 0.00 H new ATOM 0 HB3 PHE A 154 1.381 3.375 -3.916 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -0.700 6.077 -2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 154 0.241 3.862 -5.865 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -2.292 7.439 -3.634 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -1.349 5.222 -7.152 1.00 0.00 H new ATOM 0 HZ PHE A 154 -2.617 7.017 -6.038 1.00 0.00 H new ATOM 278 N VAL A 155 -2.161 2.648 -2.285 1.00 0.00 N ATOM 279 CA VAL A 155 -3.329 1.921 -2.769 1.00 0.00 C ATOM 280 C VAL A 155 -4.192 2.801 -3.665 1.00 0.00 C ATOM 281 O VAL A 155 -4.555 3.917 -3.294 1.00 0.00 O ATOM 282 CB VAL A 155 -4.187 1.397 -1.602 1.00 0.00 C ATOM 283 CG1 VAL A 155 -5.388 0.625 -2.126 1.00 0.00 C ATOM 284 CG2 VAL A 155 -3.350 0.531 -0.672 1.00 0.00 C ATOM 0 H VAL A 155 -2.370 3.371 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 155 -2.958 1.074 -3.346 1.00 0.00 H new ATOM 0 HB VAL A 155 -4.555 2.251 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -5.982 0.263 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -5.999 1.280 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 155 -5.045 -0.222 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -3.972 0.169 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 155 -2.951 -0.318 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 155 -2.527 1.121 -0.269 1.00 0.00 H new ATOM 294 N GLY A 156 -4.519 2.291 -4.849 1.00 0.00 N ATOM 295 CA GLY A 156 -5.339 3.044 -5.780 1.00 0.00 C ATOM 296 C GLY A 156 -6.576 2.283 -6.211 1.00 0.00 C ATOM 297 O GLY A 156 -6.998 1.341 -5.540 1.00 0.00 O ATOM 0 H GLY A 156 -4.231 1.370 -5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -5.638 3.985 -5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -4.746 3.296 -6.660 1.00 0.00 H new ATOM 301 N MET A 157 -7.161 2.692 -7.332 1.00 0.00 N ATOM 302 CA MET A 157 -8.358 2.041 -7.851 1.00 0.00 C ATOM 303 C MET A 157 -9.300 1.651 -6.716 1.00 0.00 C ATOM 304 O MET A 157 -9.847 0.548 -6.701 1.00 0.00 O ATOM 305 CB MET A 157 -7.979 0.801 -8.663 1.00 0.00 C ATOM 306 CG MET A 157 -7.209 1.120 -9.934 1.00 0.00 C ATOM 307 SD MET A 157 -7.091 -0.294 -11.047 1.00 0.00 S ATOM 308 CE MET A 157 -6.701 0.523 -12.593 1.00 0.00 C ATOM 0 H MET A 157 -6.826 3.471 -7.898 1.00 0.00 H new ATOM 0 HA MET A 157 -8.873 2.748 -8.501 1.00 0.00 H new ATOM 0 HB2 MET A 157 -7.378 0.139 -8.040 1.00 0.00 H new ATOM 0 HB3 MET A 157 -8.886 0.256 -8.924 1.00 0.00 H new ATOM 0 HG2 MET A 157 -7.697 1.946 -10.452 1.00 0.00 H new ATOM 0 HG3 MET A 157 -6.206 1.456 -9.672 1.00 0.00 H new ATOM 0 HE1 MET A 157 -6.372 -0.217 -13.323 1.00 0.00 H new ATOM 0 HE2 MET A 157 -7.588 1.033 -12.969 1.00 0.00 H new ATOM 0 HE3 MET A 157 -5.906 1.250 -12.430 1.00 0.00 H new ATOM 318 N LEU A 158 -9.485 2.563 -5.767 1.00 0.00 N ATOM 319 CA LEU A 158 -10.361 2.314 -4.627 1.00 0.00 C ATOM 320 C LEU A 158 -11.721 2.971 -4.833 1.00 0.00 C ATOM 321 O LEU A 158 -11.938 3.678 -5.816 1.00 0.00 O ATOM 322 CB LEU A 158 -9.718 2.837 -3.341 1.00 0.00 C ATOM 323 CG LEU A 158 -8.557 2.011 -2.787 1.00 0.00 C ATOM 324 CD1 LEU A 158 -7.890 2.737 -1.629 1.00 0.00 C ATOM 325 CD2 LEU A 158 -9.041 0.636 -2.350 1.00 0.00 C ATOM 0 H LEU A 158 -9.040 3.481 -5.765 1.00 0.00 H new ATOM 0 HA LEU A 158 -10.508 1.237 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -9.362 3.851 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -10.489 2.903 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 158 -7.820 1.879 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.066 2.134 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.507 3.698 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.618 2.901 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -8.201 0.062 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -9.798 0.747 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -9.471 0.113 -3.204 1.00 0.00 H new ATOM 337 N ASN A 159 -12.635 2.734 -3.897 1.00 0.00 N ATOM 338 CA ASN A 159 -13.975 3.305 -3.975 1.00 0.00 C ATOM 339 C ASN A 159 -14.220 4.277 -2.825 1.00 0.00 C ATOM 340 O ASN A 159 -13.596 4.177 -1.768 1.00 0.00 O ATOM 341 CB ASN A 159 -15.027 2.194 -3.950 1.00 0.00 C ATOM 342 CG ASN A 159 -14.582 0.994 -3.136 1.00 0.00 C ATOM 343 OD1 ASN A 159 -13.459 0.513 -3.281 1.00 0.00 O ATOM 344 ND2 ASN A 159 -15.466 0.506 -2.273 1.00 0.00 N ATOM 0 H ASN A 159 -12.472 2.151 -3.076 1.00 0.00 H new ATOM 0 HA ASN A 159 -14.055 3.853 -4.914 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -15.956 2.586 -3.536 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -15.242 1.878 -4.971 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -15.225 -0.300 -1.697 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -16.386 0.938 -2.187 1.00 0.00 H new ATOM 351 N LYS A 160 -15.132 5.220 -3.039 1.00 0.00 N ATOM 352 CA LYS A 160 -15.462 6.210 -2.022 1.00 0.00 C ATOM 353 C LYS A 160 -16.488 5.658 -1.037 1.00 0.00 C ATOM 354 O LYS A 160 -17.172 6.417 -0.351 1.00 0.00 O ATOM 355 CB LYS A 160 -16.001 7.484 -2.677 1.00 0.00 C ATOM 356 CG LYS A 160 -15.013 8.149 -3.619 1.00 0.00 C ATOM 357 CD LYS A 160 -15.149 7.616 -5.036 1.00 0.00 C ATOM 358 CE LYS A 160 -14.398 8.486 -6.032 1.00 0.00 C ATOM 359 NZ LYS A 160 -15.255 9.580 -6.569 1.00 0.00 N ATOM 0 H LYS A 160 -15.656 5.319 -3.909 1.00 0.00 H new ATOM 0 HA LYS A 160 -14.551 6.448 -1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -16.910 7.242 -3.229 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -16.280 8.193 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -15.176 9.227 -3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -13.997 7.980 -3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -14.766 6.596 -5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -16.203 7.573 -5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -13.520 8.916 -5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -14.039 7.869 -6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -14.707 10.151 -7.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -16.080 9.170 -7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -15.577 10.184 -5.786 1.00 0.00 H new ATOM 373 N GLN A 161 -16.588 4.335 -0.974 1.00 0.00 N ATOM 374 CA GLN A 161 -17.530 3.683 -0.072 1.00 0.00 C ATOM 375 C GLN A 161 -16.801 3.024 1.094 1.00 0.00 C ATOM 376 O GLN A 161 -17.310 2.987 2.214 1.00 0.00 O ATOM 377 CB GLN A 161 -18.354 2.639 -0.829 1.00 0.00 C ATOM 378 CG GLN A 161 -19.296 3.239 -1.860 1.00 0.00 C ATOM 379 CD GLN A 161 -20.242 2.213 -2.453 1.00 0.00 C ATOM 380 OE1 GLN A 161 -19.842 1.381 -3.268 1.00 0.00 O ATOM 381 NE2 GLN A 161 -21.505 2.267 -2.046 1.00 0.00 N ATOM 0 H GLN A 161 -16.029 3.693 -1.536 1.00 0.00 H new ATOM 0 HA GLN A 161 -18.199 4.445 0.326 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -17.677 1.946 -1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -18.935 2.058 -0.113 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -19.876 4.037 -1.396 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -18.711 3.694 -2.660 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -21.793 2.973 -1.369 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -22.187 1.602 -2.411 1.00 0.00 H new ATOM 390 N GLN A 162 -15.608 2.505 0.823 1.00 0.00 N ATOM 391 CA GLN A 162 -14.810 1.847 1.850 1.00 0.00 C ATOM 392 C GLN A 162 -14.509 2.802 3.001 1.00 0.00 C ATOM 393 O GLN A 162 -14.561 4.021 2.838 1.00 0.00 O ATOM 394 CB GLN A 162 -13.503 1.322 1.252 1.00 0.00 C ATOM 395 CG GLN A 162 -13.707 0.266 0.178 1.00 0.00 C ATOM 396 CD GLN A 162 -12.558 -0.720 0.103 1.00 0.00 C ATOM 397 OE1 GLN A 162 -11.436 -0.415 0.508 1.00 0.00 O ATOM 398 NE2 GLN A 162 -12.832 -1.911 -0.415 1.00 0.00 N ATOM 0 H GLN A 162 -15.173 2.528 -0.099 1.00 0.00 H new ATOM 0 HA GLN A 162 -15.386 1.008 2.240 1.00 0.00 H new ATOM 0 HB2 GLN A 162 -12.946 2.157 0.828 1.00 0.00 H new ATOM 0 HB3 GLN A 162 -12.890 0.903 2.050 1.00 0.00 H new ATOM 0 HG2 GLN A 162 -14.632 -0.275 0.377 1.00 0.00 H new ATOM 0 HG3 GLN A 162 -13.825 0.755 -0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 162 -13.776 -2.121 -0.738 1.00 0.00 H new ATOM 0 HE22 GLN A 162 -12.098 -2.616 -0.490 1.00 0.00 H new ATOM 407 N SER A 163 -14.194 2.239 4.163 1.00 0.00 N ATOM 408 CA SER A 163 -13.888 3.041 5.342 1.00 0.00 C ATOM 409 C SER A 163 -12.615 2.545 6.021 1.00 0.00 C ATOM 410 O SER A 163 -12.151 1.436 5.759 1.00 0.00 O ATOM 411 CB SER A 163 -15.056 2.998 6.330 1.00 0.00 C ATOM 412 OG SER A 163 -15.302 1.674 6.772 1.00 0.00 O ATOM 0 H SER A 163 -14.144 1.231 4.313 1.00 0.00 H new ATOM 0 HA SER A 163 -13.730 4.070 5.020 1.00 0.00 H new ATOM 0 HB2 SER A 163 -14.836 3.635 7.186 1.00 0.00 H new ATOM 0 HB3 SER A 163 -15.952 3.399 5.856 1.00 0.00 H new ATOM 0 HG SER A 163 -15.529 1.109 6.004 1.00 0.00 H new ATOM 418 N GLU A 164 -12.055 3.377 6.893 1.00 0.00 N ATOM 419 CA GLU A 164 -10.834 3.024 7.609 1.00 0.00 C ATOM 420 C GLU A 164 -10.938 1.622 8.203 1.00 0.00 C ATOM 421 O GLU A 164 -10.053 0.788 8.010 1.00 0.00 O ATOM 422 CB GLU A 164 -10.555 4.041 8.718 1.00 0.00 C ATOM 423 CG GLU A 164 -9.861 5.301 8.229 1.00 0.00 C ATOM 424 CD GLU A 164 -9.711 6.345 9.318 1.00 0.00 C ATOM 425 OE1 GLU A 164 -10.714 7.017 9.638 1.00 0.00 O ATOM 426 OE2 GLU A 164 -8.591 6.490 9.850 1.00 0.00 O ATOM 0 H GLU A 164 -12.426 4.299 7.121 1.00 0.00 H new ATOM 0 HA GLU A 164 -10.008 3.038 6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -11.497 4.316 9.192 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -9.938 3.571 9.484 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -8.876 5.041 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -10.428 5.725 7.400 1.00 0.00 H new ATOM 433 N ASP A 165 -12.023 1.372 8.926 1.00 0.00 N ATOM 434 CA ASP A 165 -12.244 0.071 9.549 1.00 0.00 C ATOM 435 C ASP A 165 -12.130 -1.050 8.520 1.00 0.00 C ATOM 436 O ASP A 165 -11.452 -2.051 8.751 1.00 0.00 O ATOM 437 CB ASP A 165 -13.618 0.029 10.218 1.00 0.00 C ATOM 438 CG ASP A 165 -14.657 0.831 9.459 1.00 0.00 C ATOM 439 OD1 ASP A 165 -14.594 2.078 9.505 1.00 0.00 O ATOM 440 OD2 ASP A 165 -15.531 0.213 8.817 1.00 0.00 O ATOM 0 H ASP A 165 -12.764 2.052 9.096 1.00 0.00 H new ATOM 0 HA ASP A 165 -11.475 -0.077 10.307 1.00 0.00 H new ATOM 0 HB2 ASP A 165 -13.949 -1.007 10.297 1.00 0.00 H new ATOM 0 HB3 ASP A 165 -13.536 0.415 11.234 1.00 0.00 H new ATOM 445 N ASP A 166 -12.798 -0.874 7.385 1.00 0.00 N ATOM 446 CA ASP A 166 -12.772 -1.871 6.321 1.00 0.00 C ATOM 447 C ASP A 166 -11.337 -2.209 5.928 1.00 0.00 C ATOM 448 O ASP A 166 -10.856 -3.313 6.181 1.00 0.00 O ATOM 449 CB ASP A 166 -13.542 -1.365 5.101 1.00 0.00 C ATOM 450 CG ASP A 166 -15.025 -1.209 5.376 1.00 0.00 C ATOM 451 OD1 ASP A 166 -15.578 -2.034 6.132 1.00 0.00 O ATOM 452 OD2 ASP A 166 -15.633 -0.261 4.836 1.00 0.00 O ATOM 0 H ASP A 166 -13.364 -0.051 7.178 1.00 0.00 H new ATOM 0 HA ASP A 166 -13.251 -2.777 6.693 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -13.131 -0.405 4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -13.400 -2.059 4.272 1.00 0.00 H new ATOM 457 N VAL A 167 -10.658 -1.250 5.305 1.00 0.00 N ATOM 458 CA VAL A 167 -9.278 -1.445 4.877 1.00 0.00 C ATOM 459 C VAL A 167 -8.406 -1.924 6.032 1.00 0.00 C ATOM 460 O VAL A 167 -7.736 -2.952 5.933 1.00 0.00 O ATOM 461 CB VAL A 167 -8.680 -0.148 4.300 1.00 0.00 C ATOM 462 CG1 VAL A 167 -7.222 -0.355 3.920 1.00 0.00 C ATOM 463 CG2 VAL A 167 -9.490 0.325 3.103 1.00 0.00 C ATOM 0 H VAL A 167 -11.042 -0.331 5.086 1.00 0.00 H new ATOM 0 HA VAL A 167 -9.294 -2.207 4.098 1.00 0.00 H new ATOM 0 HB VAL A 167 -8.724 0.625 5.067 1.00 0.00 H new ATOM 0 HG11 VAL A 167 -6.817 0.572 3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -6.653 -0.644 4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 167 -7.150 -1.142 3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 167 -9.054 1.242 2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 167 -9.480 -0.444 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 167 -10.518 0.516 3.412 1.00 0.00 H new ATOM 473 N ARG A 168 -8.421 -1.172 7.128 1.00 0.00 N ATOM 474 CA ARG A 168 -7.630 -1.520 8.303 1.00 0.00 C ATOM 475 C ARG A 168 -7.649 -3.026 8.545 1.00 0.00 C ATOM 476 O ARG A 168 -6.613 -3.687 8.484 1.00 0.00 O ATOM 477 CB ARG A 168 -8.163 -0.788 9.536 1.00 0.00 C ATOM 478 CG ARG A 168 -7.240 -0.874 10.741 1.00 0.00 C ATOM 479 CD ARG A 168 -7.039 -2.314 11.187 1.00 0.00 C ATOM 480 NE ARG A 168 -6.677 -2.404 12.599 1.00 0.00 N ATOM 481 CZ ARG A 168 -7.473 -2.016 13.589 1.00 0.00 C ATOM 482 NH1 ARG A 168 -8.671 -1.515 13.322 1.00 0.00 N ATOM 483 NH2 ARG A 168 -7.072 -2.130 14.848 1.00 0.00 N ATOM 0 H ARG A 168 -8.971 -0.319 7.227 1.00 0.00 H new ATOM 0 HA ARG A 168 -6.600 -1.212 8.122 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -8.322 0.261 9.285 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -9.135 -1.203 9.803 1.00 0.00 H new ATOM 0 HG2 ARG A 168 -6.275 -0.430 10.494 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -7.658 -0.292 11.563 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -7.954 -2.879 11.011 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -6.258 -2.775 10.582 1.00 0.00 H new ATOM 0 HE ARG A 168 -5.762 -2.786 12.838 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -8.983 -1.427 12.355 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -9.281 -1.218 14.084 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -6.151 -2.516 15.057 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -7.684 -1.832 15.607 1.00 0.00 H new ATOM 497 N ARG A 169 -8.834 -3.561 8.820 1.00 0.00 N ATOM 498 CA ARG A 169 -8.987 -4.989 9.073 1.00 0.00 C ATOM 499 C ARG A 169 -8.556 -5.806 7.858 1.00 0.00 C ATOM 500 O ARG A 169 -7.717 -6.701 7.965 1.00 0.00 O ATOM 501 CB ARG A 169 -10.440 -5.312 9.429 1.00 0.00 C ATOM 502 CG ARG A 169 -10.791 -5.022 10.879 1.00 0.00 C ATOM 503 CD ARG A 169 -12.296 -4.983 11.090 1.00 0.00 C ATOM 504 NE ARG A 169 -12.840 -6.303 11.398 1.00 0.00 N ATOM 505 CZ ARG A 169 -13.130 -7.212 10.474 1.00 0.00 C ATOM 506 NH1 ARG A 169 -12.929 -6.945 9.191 1.00 0.00 N ATOM 507 NH2 ARG A 169 -13.622 -8.391 10.833 1.00 0.00 N ATOM 0 H ARG A 169 -9.702 -3.028 8.873 1.00 0.00 H new ATOM 0 HA ARG A 169 -8.346 -5.255 9.914 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -11.101 -4.735 8.782 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -10.631 -6.365 9.222 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -10.352 -5.786 11.521 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -10.356 -4.068 11.176 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -12.530 -4.296 11.903 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -12.778 -4.593 10.194 1.00 0.00 H new ATOM 0 HE ARG A 169 -13.006 -6.540 12.376 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -12.551 -6.040 8.912 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -13.152 -7.645 8.483 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -13.778 -8.600 11.819 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -13.844 -9.088 10.123 1.00 0.00 H new ATOM 521 N LEU A 170 -9.135 -5.492 6.705 1.00 0.00 N ATOM 522 CA LEU A 170 -8.812 -6.196 5.469 1.00 0.00 C ATOM 523 C LEU A 170 -7.307 -6.412 5.343 1.00 0.00 C ATOM 524 O LEU A 170 -6.827 -7.545 5.375 1.00 0.00 O ATOM 525 CB LEU A 170 -9.329 -5.413 4.261 1.00 0.00 C ATOM 526 CG LEU A 170 -9.437 -6.193 2.951 1.00 0.00 C ATOM 527 CD1 LEU A 170 -10.670 -7.083 2.959 1.00 0.00 C ATOM 528 CD2 LEU A 170 -9.471 -5.241 1.764 1.00 0.00 C ATOM 0 H LEU A 170 -9.831 -4.754 6.600 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.300 -7.170 5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -10.314 -5.015 4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -8.672 -4.559 4.099 1.00 0.00 H new ATOM 0 HG LEU A 170 -8.557 -6.829 2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.730 -7.630 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -10.603 -7.790 3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -11.562 -6.468 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -9.548 -5.814 0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -10.332 -4.579 1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -8.557 -4.647 1.748 1.00 0.00 H new ATOM 540 N PHE A 171 -6.567 -5.317 5.202 1.00 0.00 N ATOM 541 CA PHE A 171 -5.117 -5.386 5.073 1.00 0.00 C ATOM 542 C PHE A 171 -4.508 -6.208 6.205 1.00 0.00 C ATOM 543 O PHE A 171 -4.030 -7.321 5.989 1.00 0.00 O ATOM 544 CB PHE A 171 -4.516 -3.978 5.070 1.00 0.00 C ATOM 545 CG PHE A 171 -4.612 -3.288 3.740 1.00 0.00 C ATOM 546 CD1 PHE A 171 -5.847 -2.999 3.182 1.00 0.00 C ATOM 547 CD2 PHE A 171 -3.468 -2.928 3.047 1.00 0.00 C ATOM 548 CE1 PHE A 171 -5.938 -2.365 1.957 1.00 0.00 C ATOM 549 CE2 PHE A 171 -3.552 -2.293 1.822 1.00 0.00 C ATOM 550 CZ PHE A 171 -4.789 -2.010 1.277 1.00 0.00 C ATOM 0 H PHE A 171 -6.948 -4.371 5.174 1.00 0.00 H new ATOM 0 HA PHE A 171 -4.885 -5.875 4.127 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -5.024 -3.373 5.821 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -3.468 -4.038 5.364 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -6.749 -3.272 3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -2.498 -3.146 3.469 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -6.907 -2.147 1.532 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -2.652 -2.019 1.292 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.858 -1.512 0.321 1.00 0.00 H new ATOM 560 N GLU A 172 -4.530 -5.650 7.412 1.00 0.00 N ATOM 561 CA GLU A 172 -3.979 -6.332 8.577 1.00 0.00 C ATOM 562 C GLU A 172 -4.379 -7.804 8.587 1.00 0.00 C ATOM 563 O GLU A 172 -3.654 -8.652 9.105 1.00 0.00 O ATOM 564 CB GLU A 172 -4.456 -5.654 9.864 1.00 0.00 C ATOM 565 CG GLU A 172 -5.752 -6.229 10.410 1.00 0.00 C ATOM 566 CD GLU A 172 -6.150 -5.611 11.736 1.00 0.00 C ATOM 567 OE1 GLU A 172 -5.249 -5.330 12.554 1.00 0.00 O ATOM 568 OE2 GLU A 172 -7.363 -5.410 11.957 1.00 0.00 O ATOM 0 H GLU A 172 -4.923 -4.729 7.608 1.00 0.00 H new ATOM 0 HA GLU A 172 -2.892 -6.270 8.522 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -3.679 -5.746 10.623 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -4.592 -4.589 9.675 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -6.550 -6.070 9.685 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -5.644 -7.307 10.533 1.00 0.00 H new ATOM 575 N ALA A 173 -5.539 -8.100 8.009 1.00 0.00 N ATOM 576 CA ALA A 173 -6.036 -9.469 7.949 1.00 0.00 C ATOM 577 C ALA A 173 -4.922 -10.441 7.577 1.00 0.00 C ATOM 578 O ALA A 173 -5.001 -11.634 7.873 1.00 0.00 O ATOM 579 CB ALA A 173 -7.183 -9.571 6.954 1.00 0.00 C ATOM 0 H ALA A 173 -6.152 -7.410 7.576 1.00 0.00 H new ATOM 0 HA ALA A 173 -6.403 -9.740 8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -7.544 -10.599 6.919 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -7.994 -8.912 7.264 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -6.834 -9.276 5.965 1.00 0.00 H new ATOM 585 N PHE A 174 -3.885 -9.924 6.927 1.00 0.00 N ATOM 586 CA PHE A 174 -2.755 -10.748 6.513 1.00 0.00 C ATOM 587 C PHE A 174 -1.484 -10.339 7.252 1.00 0.00 C ATOM 588 O PHE A 174 -0.985 -11.073 8.104 1.00 0.00 O ATOM 589 CB PHE A 174 -2.539 -10.633 5.002 1.00 0.00 C ATOM 590 CG PHE A 174 -3.716 -11.093 4.191 1.00 0.00 C ATOM 591 CD1 PHE A 174 -3.836 -12.420 3.810 1.00 0.00 C ATOM 592 CD2 PHE A 174 -4.705 -10.199 3.812 1.00 0.00 C ATOM 593 CE1 PHE A 174 -4.918 -12.845 3.063 1.00 0.00 C ATOM 594 CE2 PHE A 174 -5.789 -10.619 3.065 1.00 0.00 C ATOM 595 CZ PHE A 174 -5.897 -11.944 2.691 1.00 0.00 C ATOM 0 H PHE A 174 -3.803 -8.939 6.676 1.00 0.00 H new ATOM 0 HA PHE A 174 -2.982 -11.784 6.763 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -2.320 -9.595 4.753 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.664 -11.220 4.723 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -3.075 -13.130 4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -4.628 -9.162 4.104 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -4.998 -13.881 2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -6.551 -9.912 2.774 1.00 0.00 H new ATOM 0 HZ PHE A 174 -6.745 -12.275 2.109 1.00 0.00 H new ATOM 605 N GLY A 175 -0.965 -9.162 6.918 1.00 0.00 N ATOM 606 CA GLY A 175 0.243 -8.675 7.559 1.00 0.00 C ATOM 607 C GLY A 175 -0.016 -7.479 8.453 1.00 0.00 C ATOM 608 O GLY A 175 -0.766 -6.575 8.088 1.00 0.00 O ATOM 0 H GLY A 175 -1.359 -8.537 6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 175 0.686 -9.477 8.150 1.00 0.00 H new ATOM 0 HA3 GLY A 175 0.971 -8.403 6.795 1.00 0.00 H new ATOM 612 N ASN A 176 0.606 -7.474 9.627 1.00 0.00 N ATOM 613 CA ASN A 176 0.437 -6.381 10.577 1.00 0.00 C ATOM 614 C ASN A 176 0.510 -5.030 9.871 1.00 0.00 C ATOM 615 O ASN A 176 0.960 -4.940 8.728 1.00 0.00 O ATOM 616 CB ASN A 176 1.505 -6.456 11.669 1.00 0.00 C ATOM 617 CG ASN A 176 1.166 -7.474 12.741 1.00 0.00 C ATOM 618 OD1 ASN A 176 0.019 -7.904 12.864 1.00 0.00 O ATOM 619 ND2 ASN A 176 2.165 -7.864 13.524 1.00 0.00 N ATOM 0 H ASN A 176 1.232 -8.215 9.943 1.00 0.00 H new ATOM 0 HA ASN A 176 -0.548 -6.480 11.034 1.00 0.00 H new ATOM 0 HB2 ASN A 176 2.464 -6.713 11.219 1.00 0.00 H new ATOM 0 HB3 ASN A 176 1.621 -5.474 12.128 1.00 0.00 H new ATOM 0 HD21 ASN A 176 1.997 -8.546 14.263 1.00 0.00 H new ATOM 0 HD22 ASN A 176 3.100 -7.481 13.386 1.00 0.00 H new ATOM 626 N ILE A 177 0.065 -3.984 10.559 1.00 0.00 N ATOM 627 CA ILE A 177 0.082 -2.639 9.998 1.00 0.00 C ATOM 628 C ILE A 177 0.644 -1.634 10.998 1.00 0.00 C ATOM 629 O ILE A 177 0.270 -1.635 12.170 1.00 0.00 O ATOM 630 CB ILE A 177 -1.328 -2.189 9.572 1.00 0.00 C ATOM 631 CG1 ILE A 177 -1.810 -3.011 8.375 1.00 0.00 C ATOM 632 CG2 ILE A 177 -1.332 -0.705 9.238 1.00 0.00 C ATOM 633 CD1 ILE A 177 -3.175 -2.600 7.870 1.00 0.00 C ATOM 0 H ILE A 177 -0.311 -4.042 11.505 1.00 0.00 H new ATOM 0 HA ILE A 177 0.725 -2.672 9.119 1.00 0.00 H new ATOM 0 HB ILE A 177 -2.013 -2.356 10.403 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -1.088 -2.915 7.564 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -1.837 -4.064 8.655 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -2.335 -0.402 8.939 1.00 0.00 H new ATOM 0 HG22 ILE A 177 -1.027 -0.134 10.115 1.00 0.00 H new ATOM 0 HG23 ILE A 177 -0.636 -0.514 8.421 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.452 -3.225 7.021 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.909 -2.722 8.666 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -3.148 -1.556 7.558 1.00 0.00 H new ATOM 645 N GLU A 178 1.543 -0.776 10.524 1.00 0.00 N ATOM 646 CA GLU A 178 2.155 0.236 11.377 1.00 0.00 C ATOM 647 C GLU A 178 1.331 1.520 11.376 1.00 0.00 C ATOM 648 O GLU A 178 1.143 2.149 12.417 1.00 0.00 O ATOM 649 CB GLU A 178 3.582 0.532 10.911 1.00 0.00 C ATOM 650 CG GLU A 178 4.628 -0.370 11.543 1.00 0.00 C ATOM 651 CD GLU A 178 6.044 0.108 11.284 1.00 0.00 C ATOM 652 OE1 GLU A 178 6.331 1.291 11.562 1.00 0.00 O ATOM 653 OE2 GLU A 178 6.865 -0.701 10.804 1.00 0.00 O ATOM 0 H GLU A 178 1.863 -0.762 9.556 1.00 0.00 H new ATOM 0 HA GLU A 178 2.186 -0.154 12.394 1.00 0.00 H new ATOM 0 HB2 GLU A 178 3.630 0.426 9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 178 3.822 1.570 11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 178 4.457 -0.421 12.618 1.00 0.00 H new ATOM 0 HG3 GLU A 178 4.513 -1.382 11.154 1.00 0.00 H new ATOM 660 N GLU A 179 0.842 1.902 10.200 1.00 0.00 N ATOM 661 CA GLU A 179 0.040 3.112 10.064 1.00 0.00 C ATOM 662 C GLU A 179 -0.954 2.978 8.913 1.00 0.00 C ATOM 663 O GLU A 179 -0.704 2.261 7.943 1.00 0.00 O ATOM 664 CB GLU A 179 0.942 4.326 9.834 1.00 0.00 C ATOM 665 CG GLU A 179 1.686 4.776 11.081 1.00 0.00 C ATOM 666 CD GLU A 179 2.777 5.784 10.777 1.00 0.00 C ATOM 667 OE1 GLU A 179 3.744 5.417 10.077 1.00 0.00 O ATOM 668 OE2 GLU A 179 2.664 6.938 11.239 1.00 0.00 O ATOM 0 H GLU A 179 0.987 1.391 9.329 1.00 0.00 H new ATOM 0 HA GLU A 179 -0.518 3.254 10.990 1.00 0.00 H new ATOM 0 HB2 GLU A 179 1.666 4.088 9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 179 0.336 5.153 9.464 1.00 0.00 H new ATOM 0 HG2 GLU A 179 0.978 5.214 11.784 1.00 0.00 H new ATOM 0 HG3 GLU A 179 2.125 3.907 11.571 1.00 0.00 H new ATOM 675 N CYS A 180 -2.081 3.672 9.029 1.00 0.00 N ATOM 676 CA CYS A 180 -3.114 3.630 8.000 1.00 0.00 C ATOM 677 C CYS A 180 -3.818 4.978 7.882 1.00 0.00 C ATOM 678 O CYS A 180 -4.122 5.623 8.887 1.00 0.00 O ATOM 679 CB CYS A 180 -4.133 2.534 8.315 1.00 0.00 C ATOM 680 SG CYS A 180 -5.427 2.349 7.066 1.00 0.00 S ATOM 0 H CYS A 180 -2.303 4.270 9.825 1.00 0.00 H new ATOM 0 HA CYS A 180 -2.635 3.406 7.047 1.00 0.00 H new ATOM 0 HB2 CYS A 180 -3.608 1.585 8.422 1.00 0.00 H new ATOM 0 HB3 CYS A 180 -4.599 2.751 9.276 1.00 0.00 H new ATOM 0 HG CYS A 180 -6.239 1.397 7.420 1.00 0.00 H new ATOM 686 N THR A 181 -4.074 5.400 6.648 1.00 0.00 N ATOM 687 CA THR A 181 -4.740 6.672 6.398 1.00 0.00 C ATOM 688 C THR A 181 -5.456 6.663 5.052 1.00 0.00 C ATOM 689 O THR A 181 -5.045 5.966 4.124 1.00 0.00 O ATOM 690 CB THR A 181 -3.741 7.844 6.427 1.00 0.00 C ATOM 691 OG1 THR A 181 -3.250 8.036 7.758 1.00 0.00 O ATOM 692 CG2 THR A 181 -4.396 9.125 5.932 1.00 0.00 C ATOM 0 H THR A 181 -3.830 4.879 5.806 1.00 0.00 H new ATOM 0 HA THR A 181 -5.472 6.807 7.195 1.00 0.00 H new ATOM 0 HB THR A 181 -2.909 7.601 5.766 1.00 0.00 H new ATOM 0 HG1 THR A 181 -3.599 7.330 8.341 1.00 0.00 H new ATOM 0 HG21 THR A 181 -3.672 9.939 5.961 1.00 0.00 H new ATOM 0 HG22 THR A 181 -4.742 8.984 4.908 1.00 0.00 H new ATOM 0 HG23 THR A 181 -5.244 9.371 6.571 1.00 0.00 H new ATOM 700 N ILE A 182 -6.529 7.441 4.953 1.00 0.00 N ATOM 701 CA ILE A 182 -7.301 7.523 3.719 1.00 0.00 C ATOM 702 C ILE A 182 -7.109 8.874 3.039 1.00 0.00 C ATOM 703 O ILE A 182 -7.046 9.911 3.702 1.00 0.00 O ATOM 704 CB ILE A 182 -8.802 7.299 3.978 1.00 0.00 C ATOM 705 CG1 ILE A 182 -9.028 5.953 4.670 1.00 0.00 C ATOM 706 CG2 ILE A 182 -9.581 7.368 2.673 1.00 0.00 C ATOM 707 CD1 ILE A 182 -8.570 4.768 3.849 1.00 0.00 C ATOM 0 H ILE A 182 -6.883 8.023 5.712 1.00 0.00 H new ATOM 0 HA ILE A 182 -6.933 6.734 3.063 1.00 0.00 H new ATOM 0 HB ILE A 182 -9.164 8.089 4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -8.500 5.950 5.623 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -10.089 5.842 4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -10.640 7.208 2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -9.442 8.349 2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -9.219 6.597 1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.761 3.848 4.401 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -9.116 4.746 2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -7.502 4.856 3.648 1.00 0.00 H new ATOM 719 N LEU A 183 -7.019 8.857 1.714 1.00 0.00 N ATOM 720 CA LEU A 183 -6.837 10.081 0.943 1.00 0.00 C ATOM 721 C LEU A 183 -8.183 10.697 0.573 1.00 0.00 C ATOM 722 O LEU A 183 -8.906 10.171 -0.272 1.00 0.00 O ATOM 723 CB LEU A 183 -6.029 9.795 -0.324 1.00 0.00 C ATOM 724 CG LEU A 183 -4.522 9.621 -0.134 1.00 0.00 C ATOM 725 CD1 LEU A 183 -3.904 8.953 -1.352 1.00 0.00 C ATOM 726 CD2 LEU A 183 -3.860 10.965 0.133 1.00 0.00 C ATOM 0 H LEU A 183 -7.069 8.008 1.151 1.00 0.00 H new ATOM 0 HA LEU A 183 -6.290 10.792 1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -6.424 8.890 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -6.194 10.610 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 183 -4.356 8.978 0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.831 8.838 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -4.357 7.973 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -4.080 9.569 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -2.788 10.822 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -4.036 11.631 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -4.282 11.405 1.036 1.00 0.00 H new ATOM 816 N SER A 190 -13.338 11.309 -0.747 1.00 0.00 N ATOM 817 CA SER A 190 -12.321 10.298 -1.016 1.00 0.00 C ATOM 818 C SER A 190 -11.910 10.319 -2.485 1.00 0.00 C ATOM 819 O SER A 190 -12.748 10.468 -3.375 1.00 0.00 O ATOM 820 CB SER A 190 -12.841 8.909 -0.640 1.00 0.00 C ATOM 821 OG SER A 190 -11.782 7.969 -0.575 1.00 0.00 O ATOM 0 HA SER A 190 -11.446 10.527 -0.408 1.00 0.00 H new ATOM 0 HB2 SER A 190 -13.350 8.956 0.323 1.00 0.00 H new ATOM 0 HB3 SER A 190 -13.578 8.582 -1.374 1.00 0.00 H new ATOM 0 HG SER A 190 -12.140 7.090 -0.331 1.00 0.00 H new ATOM 827 N LYS A 191 -10.613 10.170 -2.732 1.00 0.00 N ATOM 828 CA LYS A 191 -10.087 10.170 -4.092 1.00 0.00 C ATOM 829 C LYS A 191 -9.718 8.757 -4.533 1.00 0.00 C ATOM 830 O LYS A 191 -8.760 8.559 -5.279 1.00 0.00 O ATOM 831 CB LYS A 191 -8.862 11.082 -4.187 1.00 0.00 C ATOM 832 CG LYS A 191 -9.176 12.549 -3.955 1.00 0.00 C ATOM 833 CD LYS A 191 -8.121 13.450 -4.574 1.00 0.00 C ATOM 834 CE LYS A 191 -8.606 14.888 -4.675 1.00 0.00 C ATOM 835 NZ LYS A 191 -9.640 15.052 -5.735 1.00 0.00 N ATOM 0 H LYS A 191 -9.906 10.048 -2.007 1.00 0.00 H new ATOM 0 HA LYS A 191 -10.865 10.547 -4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 191 -8.121 10.758 -3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 191 -8.410 10.967 -5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 191 -10.152 12.785 -4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 191 -9.239 12.744 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 191 -7.212 13.413 -3.974 1.00 0.00 H new ATOM 0 HD3 LYS A 191 -7.863 13.081 -5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 191 -9.017 15.201 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 191 -7.761 15.542 -4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 191 -9.773 16.064 -5.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 191 -9.331 14.564 -6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 191 -10.539 14.643 -5.409 1.00 0.00 H new ATOM 849 N GLY A 192 -10.487 7.777 -4.067 1.00 0.00 N ATOM 850 CA GLY A 192 -10.225 6.395 -4.425 1.00 0.00 C ATOM 851 C GLY A 192 -8.775 6.006 -4.216 1.00 0.00 C ATOM 852 O GLY A 192 -8.196 5.281 -5.026 1.00 0.00 O ATOM 0 H GLY A 192 -11.286 7.916 -3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -10.863 5.742 -3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -10.493 6.236 -5.469 1.00 0.00 H new ATOM 856 N CYS A 193 -8.186 6.491 -3.128 1.00 0.00 N ATOM 857 CA CYS A 193 -6.793 6.192 -2.816 1.00 0.00 C ATOM 858 C CYS A 193 -6.556 6.215 -1.309 1.00 0.00 C ATOM 859 O CYS A 193 -7.312 6.836 -0.562 1.00 0.00 O ATOM 860 CB CYS A 193 -5.867 7.195 -3.505 1.00 0.00 C ATOM 861 SG CYS A 193 -5.996 7.200 -5.308 1.00 0.00 S ATOM 0 H CYS A 193 -8.651 7.092 -2.448 1.00 0.00 H new ATOM 0 HA CYS A 193 -6.571 5.191 -3.185 1.00 0.00 H new ATOM 0 HB2 CYS A 193 -6.090 8.195 -3.133 1.00 0.00 H new ATOM 0 HB3 CYS A 193 -4.837 6.974 -3.226 1.00 0.00 H new ATOM 0 HG CYS A 193 -6.892 6.335 -5.681 1.00 0.00 H new ATOM 867 N ALA A 194 -5.503 5.533 -0.870 1.00 0.00 N ATOM 868 CA ALA A 194 -5.167 5.476 0.547 1.00 0.00 C ATOM 869 C ALA A 194 -3.715 5.058 0.751 1.00 0.00 C ATOM 870 O ALA A 194 -3.058 4.586 -0.178 1.00 0.00 O ATOM 871 CB ALA A 194 -6.100 4.518 1.273 1.00 0.00 C ATOM 0 H ALA A 194 -4.868 5.012 -1.475 1.00 0.00 H new ATOM 0 HA ALA A 194 -5.293 6.475 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 194 -5.837 4.486 2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -7.129 4.861 1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 194 -6.003 3.521 0.844 1.00 0.00 H new ATOM 877 N PHE A 195 -3.218 5.235 1.970 1.00 0.00 N ATOM 878 CA PHE A 195 -1.842 4.878 2.295 1.00 0.00 C ATOM 879 C PHE A 195 -1.795 3.913 3.476 1.00 0.00 C ATOM 880 O PHE A 195 -2.418 4.150 4.511 1.00 0.00 O ATOM 881 CB PHE A 195 -1.028 6.134 2.615 1.00 0.00 C ATOM 882 CG PHE A 195 -0.621 6.911 1.396 1.00 0.00 C ATOM 883 CD1 PHE A 195 0.248 6.361 0.466 1.00 0.00 C ATOM 884 CD2 PHE A 195 -1.107 8.190 1.178 1.00 0.00 C ATOM 885 CE1 PHE A 195 0.625 7.074 -0.656 1.00 0.00 C ATOM 886 CE2 PHE A 195 -0.733 8.908 0.058 1.00 0.00 C ATOM 887 CZ PHE A 195 0.133 8.348 -0.861 1.00 0.00 C ATOM 0 H PHE A 195 -3.748 5.624 2.750 1.00 0.00 H new ATOM 0 HA PHE A 195 -1.407 4.383 1.427 1.00 0.00 H new ATOM 0 HB2 PHE A 195 -1.614 6.780 3.269 1.00 0.00 H new ATOM 0 HB3 PHE A 195 -0.134 5.847 3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 195 0.634 5.364 0.620 1.00 0.00 H new ATOM 0 HD2 PHE A 195 -1.786 8.631 1.892 1.00 0.00 H new ATOM 0 HE1 PHE A 195 1.304 6.635 -1.372 1.00 0.00 H new ATOM 0 HE2 PHE A 195 -1.117 9.905 -0.098 1.00 0.00 H new ATOM 0 HZ PHE A 195 0.425 8.906 -1.739 1.00 0.00 H new ATOM 897 N VAL A 196 -1.051 2.824 3.314 1.00 0.00 N ATOM 898 CA VAL A 196 -0.921 1.823 4.365 1.00 0.00 C ATOM 899 C VAL A 196 0.544 1.511 4.649 1.00 0.00 C ATOM 900 O VAL A 196 1.390 1.577 3.757 1.00 0.00 O ATOM 901 CB VAL A 196 -1.649 0.518 3.991 1.00 0.00 C ATOM 902 CG1 VAL A 196 -1.752 -0.401 5.199 1.00 0.00 C ATOM 903 CG2 VAL A 196 -3.026 0.821 3.422 1.00 0.00 C ATOM 0 H VAL A 196 -0.529 2.613 2.464 1.00 0.00 H new ATOM 0 HA VAL A 196 -1.380 2.243 5.260 1.00 0.00 H new ATOM 0 HB VAL A 196 -1.069 0.006 3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 196 -2.269 -1.318 4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 196 -0.752 -0.645 5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 196 -2.309 0.100 5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 196 -3.526 -0.112 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 196 -3.617 1.356 4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 196 -2.923 1.437 2.529 1.00 0.00 H new ATOM 913 N LYS A 197 0.839 1.170 5.899 1.00 0.00 N ATOM 914 CA LYS A 197 2.202 0.845 6.303 1.00 0.00 C ATOM 915 C LYS A 197 2.255 -0.511 6.999 1.00 0.00 C ATOM 916 O LYS A 197 1.388 -0.838 7.810 1.00 0.00 O ATOM 917 CB LYS A 197 2.753 1.929 7.232 1.00 0.00 C ATOM 918 CG LYS A 197 4.258 2.106 7.136 1.00 0.00 C ATOM 919 CD LYS A 197 4.735 3.284 7.969 1.00 0.00 C ATOM 920 CE LYS A 197 4.718 4.576 7.167 1.00 0.00 C ATOM 921 NZ LYS A 197 5.787 4.601 6.131 1.00 0.00 N ATOM 0 H LYS A 197 0.152 1.112 6.650 1.00 0.00 H new ATOM 0 HA LYS A 197 2.818 0.797 5.405 1.00 0.00 H new ATOM 0 HB2 LYS A 197 2.269 2.877 6.998 1.00 0.00 H new ATOM 0 HB3 LYS A 197 2.490 1.682 8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 197 4.755 1.196 7.473 1.00 0.00 H new ATOM 0 HG3 LYS A 197 4.542 2.257 6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 197 4.099 3.391 8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 197 5.746 3.091 8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 197 3.746 4.693 6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 197 4.846 5.423 7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 5.887 5.567 5.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 6.687 4.298 6.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 5.534 3.956 5.355 1.00 0.00 H new ATOM 935 N TYR A 198 3.278 -1.296 6.678 1.00 0.00 N ATOM 936 CA TYR A 198 3.443 -2.617 7.272 1.00 0.00 C ATOM 937 C TYR A 198 4.700 -2.673 8.135 1.00 0.00 C ATOM 938 O TYR A 198 5.470 -1.715 8.192 1.00 0.00 O ATOM 939 CB TYR A 198 3.513 -3.685 6.179 1.00 0.00 C ATOM 940 CG TYR A 198 2.157 -4.157 5.706 1.00 0.00 C ATOM 941 CD1 TYR A 198 1.363 -3.354 4.897 1.00 0.00 C ATOM 942 CD2 TYR A 198 1.669 -5.407 6.068 1.00 0.00 C ATOM 943 CE1 TYR A 198 0.123 -3.781 4.463 1.00 0.00 C ATOM 944 CE2 TYR A 198 0.431 -5.843 5.637 1.00 0.00 C ATOM 945 CZ TYR A 198 -0.339 -5.026 4.836 1.00 0.00 C ATOM 946 OH TYR A 198 -1.573 -5.455 4.404 1.00 0.00 O ATOM 0 H TYR A 198 4.005 -1.040 6.010 1.00 0.00 H new ATOM 0 HA TYR A 198 2.579 -2.813 7.907 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.067 -3.287 5.329 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.076 -4.540 6.554 1.00 0.00 H new ATOM 0 HD1 TYR A 198 1.721 -2.379 4.602 1.00 0.00 H new ATOM 0 HD2 TYR A 198 2.268 -6.049 6.697 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -0.482 -3.143 3.835 1.00 0.00 H new ATOM 0 HE2 TYR A 198 0.068 -6.818 5.926 1.00 0.00 H new ATOM 0 HH TYR A 198 -2.027 -5.930 5.131 1.00 0.00 H new ATOM 956 N SER A 199 4.901 -3.804 8.803 1.00 0.00 N ATOM 957 CA SER A 199 6.062 -3.987 9.666 1.00 0.00 C ATOM 958 C SER A 199 7.290 -4.378 8.849 1.00 0.00 C ATOM 959 O SER A 199 8.368 -3.808 9.016 1.00 0.00 O ATOM 960 CB SER A 199 5.776 -5.055 10.723 1.00 0.00 C ATOM 961 OG SER A 199 6.916 -5.291 11.532 1.00 0.00 O ATOM 0 H SER A 199 4.275 -4.608 8.763 1.00 0.00 H new ATOM 0 HA SER A 199 6.266 -3.039 10.165 1.00 0.00 H new ATOM 0 HB2 SER A 199 4.942 -4.738 11.349 1.00 0.00 H new ATOM 0 HB3 SER A 199 5.474 -5.982 10.235 1.00 0.00 H new ATOM 0 HG SER A 199 6.707 -5.976 12.200 1.00 0.00 H new ATOM 967 N SER A 200 7.117 -5.356 7.966 1.00 0.00 N ATOM 968 CA SER A 200 8.211 -5.828 7.125 1.00 0.00 C ATOM 969 C SER A 200 7.755 -5.986 5.678 1.00 0.00 C ATOM 970 O SER A 200 6.569 -5.860 5.371 1.00 0.00 O ATOM 971 CB SER A 200 8.748 -7.161 7.650 1.00 0.00 C ATOM 972 OG SER A 200 10.102 -7.349 7.275 1.00 0.00 O ATOM 0 H SER A 200 6.230 -5.837 7.814 1.00 0.00 H new ATOM 0 HA SER A 200 9.008 -5.085 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 200 8.661 -7.189 8.736 1.00 0.00 H new ATOM 0 HB3 SER A 200 8.143 -7.979 7.260 1.00 0.00 H new ATOM 0 HG SER A 200 10.422 -8.207 7.624 1.00 0.00 H new ATOM 978 N HIS A 201 8.706 -6.262 4.791 1.00 0.00 N ATOM 979 CA HIS A 201 8.403 -6.437 3.375 1.00 0.00 C ATOM 980 C HIS A 201 7.572 -7.697 3.149 1.00 0.00 C ATOM 981 O HIS A 201 6.486 -7.642 2.574 1.00 0.00 O ATOM 982 CB HIS A 201 9.695 -6.511 2.561 1.00 0.00 C ATOM 983 CG HIS A 201 9.467 -6.605 1.083 1.00 0.00 C ATOM 984 ND1 HIS A 201 10.355 -7.213 0.222 1.00 0.00 N ATOM 985 CD2 HIS A 201 8.443 -6.164 0.316 1.00 0.00 C ATOM 986 CE1 HIS A 201 9.888 -7.141 -1.012 1.00 0.00 C ATOM 987 NE2 HIS A 201 8.729 -6.509 -0.982 1.00 0.00 N ATOM 0 H HIS A 201 9.692 -6.369 5.028 1.00 0.00 H new ATOM 0 HA HIS A 201 7.823 -5.576 3.044 1.00 0.00 H new ATOM 0 HB2 HIS A 201 10.299 -5.628 2.772 1.00 0.00 H new ATOM 0 HB3 HIS A 201 10.271 -7.377 2.887 1.00 0.00 H new ATOM 0 HD2 HIS A 201 7.565 -5.639 0.661 1.00 0.00 H new ATOM 0 HE1 HIS A 201 10.372 -7.532 -1.895 1.00 0.00 H new ATOM 0 HE2 HIS A 201 8.142 -6.309 -1.792 1.00 0.00 H new ATOM 995 N ALA A 202 8.092 -8.832 3.606 1.00 0.00 N ATOM 996 CA ALA A 202 7.398 -10.105 3.455 1.00 0.00 C ATOM 997 C ALA A 202 5.894 -9.936 3.643 1.00 0.00 C ATOM 998 O ALA A 202 5.116 -10.149 2.714 1.00 0.00 O ATOM 999 CB ALA A 202 7.945 -11.125 4.443 1.00 0.00 C ATOM 0 H ALA A 202 8.991 -8.896 4.084 1.00 0.00 H new ATOM 0 HA ALA A 202 7.572 -10.468 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 202 7.418 -12.071 4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 202 9.009 -11.276 4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 202 7.801 -10.760 5.460 1.00 0.00 H new ATOM 1005 N GLU A 203 5.493 -9.554 4.852 1.00 0.00 N ATOM 1006 CA GLU A 203 4.081 -9.359 5.161 1.00 0.00 C ATOM 1007 C GLU A 203 3.409 -8.487 4.105 1.00 0.00 C ATOM 1008 O GLU A 203 2.339 -8.822 3.598 1.00 0.00 O ATOM 1009 CB GLU A 203 3.923 -8.721 6.543 1.00 0.00 C ATOM 1010 CG GLU A 203 3.812 -9.732 7.671 1.00 0.00 C ATOM 1011 CD GLU A 203 3.974 -9.099 9.040 1.00 0.00 C ATOM 1012 OE1 GLU A 203 3.077 -8.335 9.451 1.00 0.00 O ATOM 1013 OE2 GLU A 203 4.999 -9.369 9.700 1.00 0.00 O ATOM 0 H GLU A 203 6.125 -9.374 5.632 1.00 0.00 H new ATOM 0 HA GLU A 203 3.596 -10.335 5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 203 4.776 -8.070 6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 203 3.034 -8.090 6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 203 2.842 -10.227 7.616 1.00 0.00 H new ATOM 0 HG3 GLU A 203 4.571 -10.503 7.539 1.00 0.00 H new ATOM 1020 N ALA A 204 4.044 -7.366 3.780 1.00 0.00 N ATOM 1021 CA ALA A 204 3.509 -6.446 2.784 1.00 0.00 C ATOM 1022 C ALA A 204 3.237 -7.161 1.465 1.00 0.00 C ATOM 1023 O ALA A 204 2.108 -7.170 0.976 1.00 0.00 O ATOM 1024 CB ALA A 204 4.469 -5.285 2.569 1.00 0.00 C ATOM 0 H ALA A 204 4.930 -7.073 4.192 1.00 0.00 H new ATOM 0 HA ALA A 204 2.562 -6.056 3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 204 4.057 -4.606 1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 204 4.609 -4.750 3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 204 5.429 -5.666 2.222 1.00 0.00 H new ATOM 1030 N GLN A 205 4.278 -7.760 0.896 1.00 0.00 N ATOM 1031 CA GLN A 205 4.150 -8.477 -0.367 1.00 0.00 C ATOM 1032 C GLN A 205 2.891 -9.337 -0.379 1.00 0.00 C ATOM 1033 O GLN A 205 2.096 -9.276 -1.317 1.00 0.00 O ATOM 1034 CB GLN A 205 5.382 -9.352 -0.608 1.00 0.00 C ATOM 1035 CG GLN A 205 5.536 -9.801 -2.052 1.00 0.00 C ATOM 1036 CD GLN A 205 5.362 -8.663 -3.038 1.00 0.00 C ATOM 1037 OE1 GLN A 205 4.119 -8.391 -3.417 1.00 0.00 O flip ATOM 1038 NE2 GLN A 205 6.335 -8.034 -3.456 1.00 0.00 N flip ATOM 0 H GLN A 205 5.219 -7.763 1.289 1.00 0.00 H new ATOM 0 HA GLN A 205 4.073 -7.741 -1.168 1.00 0.00 H new ATOM 0 HB2 GLN A 205 6.273 -8.800 -0.311 1.00 0.00 H new ATOM 0 HB3 GLN A 205 5.324 -10.232 0.033 1.00 0.00 H new ATOM 0 HG2 GLN A 205 6.522 -10.246 -2.187 1.00 0.00 H new ATOM 0 HG3 GLN A 205 4.803 -10.578 -2.267 1.00 0.00 H new ATOM 0 HE21 GLN A 205 7.274 -8.276 -3.139 1.00 0.00 H new ATOM 0 HE22 GLN A 205 6.202 -7.271 -4.120 1.00 0.00 H new ATOM 1047 N ALA A 206 2.716 -10.137 0.667 1.00 0.00 N ATOM 1048 CA ALA A 206 1.552 -11.008 0.777 1.00 0.00 C ATOM 1049 C ALA A 206 0.258 -10.220 0.598 1.00 0.00 C ATOM 1050 O ALA A 206 -0.570 -10.553 -0.249 1.00 0.00 O ATOM 1051 CB ALA A 206 1.554 -11.725 2.119 1.00 0.00 C ATOM 0 H ALA A 206 3.366 -10.200 1.451 1.00 0.00 H new ATOM 0 HA ALA A 206 1.608 -11.750 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 206 0.679 -12.372 2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 206 2.458 -12.327 2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 206 1.526 -10.991 2.924 1.00 0.00 H new ATOM 1057 N ALA A 207 0.091 -9.175 1.402 1.00 0.00 N ATOM 1058 CA ALA A 207 -1.101 -8.340 1.331 1.00 0.00 C ATOM 1059 C ALA A 207 -1.297 -7.780 -0.073 1.00 0.00 C ATOM 1060 O ALA A 207 -2.427 -7.584 -0.522 1.00 0.00 O ATOM 1061 CB ALA A 207 -1.014 -7.209 2.345 1.00 0.00 C ATOM 0 H ALA A 207 0.766 -8.887 2.110 1.00 0.00 H new ATOM 0 HA ALA A 207 -1.964 -8.962 1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 207 -1.911 -6.593 2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 207 -0.931 -7.626 3.349 1.00 0.00 H new ATOM 0 HB3 ALA A 207 -0.138 -6.597 2.133 1.00 0.00 H new ATOM 1067 N ILE A 208 -0.190 -7.523 -0.762 1.00 0.00 N ATOM 1068 CA ILE A 208 -0.240 -6.985 -2.116 1.00 0.00 C ATOM 1069 C ILE A 208 -0.876 -7.982 -3.079 1.00 0.00 C ATOM 1070 O ILE A 208 -2.025 -7.818 -3.488 1.00 0.00 O ATOM 1071 CB ILE A 208 1.165 -6.618 -2.629 1.00 0.00 C ATOM 1072 CG1 ILE A 208 1.805 -5.567 -1.719 1.00 0.00 C ATOM 1073 CG2 ILE A 208 1.090 -6.111 -4.061 1.00 0.00 C ATOM 1074 CD1 ILE A 208 3.306 -5.467 -1.874 1.00 0.00 C ATOM 0 H ILE A 208 0.753 -7.679 -0.405 1.00 0.00 H new ATOM 0 HA ILE A 208 -0.849 -6.082 -2.075 1.00 0.00 H new ATOM 0 HB ILE A 208 1.787 -7.513 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 208 1.360 -4.595 -1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 208 1.570 -5.805 -0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 208 2.091 -5.856 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 208 0.670 -6.888 -4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 208 0.455 -5.226 -4.101 1.00 0.00 H new ATOM 0 HD11 ILE A 208 3.691 -4.703 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 208 3.761 -6.427 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 208 3.549 -5.199 -2.902 1.00 0.00 H new ATOM 1086 N ASN A 209 -0.121 -9.015 -3.437 1.00 0.00 N ATOM 1087 CA ASN A 209 -0.611 -10.040 -4.352 1.00 0.00 C ATOM 1088 C ASN A 209 -1.985 -10.543 -3.919 1.00 0.00 C ATOM 1089 O ASN A 209 -2.877 -10.733 -4.746 1.00 0.00 O ATOM 1090 CB ASN A 209 0.374 -11.208 -4.418 1.00 0.00 C ATOM 1091 CG ASN A 209 0.059 -12.168 -5.549 1.00 0.00 C ATOM 1092 OD1 ASN A 209 -0.374 -11.755 -6.625 1.00 0.00 O ATOM 1093 ND2 ASN A 209 0.274 -13.456 -5.309 1.00 0.00 N ATOM 0 H ASN A 209 0.833 -9.165 -3.108 1.00 0.00 H new ATOM 0 HA ASN A 209 -0.702 -9.594 -5.342 1.00 0.00 H new ATOM 0 HB2 ASN A 209 1.385 -10.820 -4.545 1.00 0.00 H new ATOM 0 HB3 ASN A 209 0.357 -11.748 -3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 209 0.079 -14.149 -6.032 1.00 0.00 H new ATOM 0 HD22 ASN A 209 0.634 -13.753 -4.402 1.00 0.00 H new ATOM 1100 N ALA A 210 -2.148 -10.757 -2.618 1.00 0.00 N ATOM 1101 CA ALA A 210 -3.413 -11.235 -2.075 1.00 0.00 C ATOM 1102 C ALA A 210 -4.566 -10.325 -2.486 1.00 0.00 C ATOM 1103 O ALA A 210 -5.640 -10.797 -2.861 1.00 0.00 O ATOM 1104 CB ALA A 210 -3.333 -11.336 -0.559 1.00 0.00 C ATOM 0 H ALA A 210 -1.419 -10.607 -1.920 1.00 0.00 H new ATOM 0 HA ALA A 210 -3.603 -12.227 -2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 210 -4.285 -11.694 -0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 210 -2.542 -12.032 -0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 210 -3.115 -10.354 -0.140 1.00 0.00 H new ATOM 1110 N LEU A 211 -4.338 -9.019 -2.411 1.00 0.00 N ATOM 1111 CA LEU A 211 -5.358 -8.042 -2.775 1.00 0.00 C ATOM 1112 C LEU A 211 -5.085 -7.458 -4.158 1.00 0.00 C ATOM 1113 O LEU A 211 -5.809 -7.736 -5.115 1.00 0.00 O ATOM 1114 CB LEU A 211 -5.412 -6.920 -1.737 1.00 0.00 C ATOM 1115 CG LEU A 211 -5.672 -7.353 -0.294 1.00 0.00 C ATOM 1116 CD1 LEU A 211 -5.479 -6.182 0.658 1.00 0.00 C ATOM 1117 CD2 LEU A 211 -7.073 -7.929 -0.155 1.00 0.00 C ATOM 0 H LEU A 211 -3.456 -8.612 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 211 -6.321 -8.552 -2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -4.467 -6.378 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.192 -6.218 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.953 -8.130 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -5.668 -6.509 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -4.456 -5.813 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -6.174 -5.383 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -7.241 -8.232 0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -7.807 -7.173 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -7.177 -8.795 -0.808 1.00 0.00 H new ATOM 1129 N HIS A 212 -4.035 -6.649 -4.256 1.00 0.00 N ATOM 1130 CA HIS A 212 -3.664 -6.028 -5.523 1.00 0.00 C ATOM 1131 C HIS A 212 -3.577 -7.070 -6.634 1.00 0.00 C ATOM 1132 O HIS A 212 -2.929 -8.105 -6.479 1.00 0.00 O ATOM 1133 CB HIS A 212 -2.326 -5.300 -5.386 1.00 0.00 C ATOM 1134 CG HIS A 212 -1.644 -5.050 -6.695 1.00 0.00 C ATOM 1135 ND1 HIS A 212 -2.278 -4.478 -7.777 1.00 0.00 N ATOM 1136 CD2 HIS A 212 -0.373 -5.296 -7.092 1.00 0.00 C ATOM 1137 CE1 HIS A 212 -1.428 -4.384 -8.784 1.00 0.00 C ATOM 1138 NE2 HIS A 212 -0.265 -4.873 -8.394 1.00 0.00 N ATOM 0 H HIS A 212 -3.426 -6.408 -3.474 1.00 0.00 H new ATOM 0 HA HIS A 212 -4.437 -5.306 -5.785 1.00 0.00 H new ATOM 0 HB2 HIS A 212 -2.490 -4.347 -4.883 1.00 0.00 H new ATOM 0 HB3 HIS A 212 -1.666 -5.887 -4.748 1.00 0.00 H new ATOM 0 HD1 HIS A 212 -3.252 -4.175 -7.797 1.00 0.00 H new ATOM 0 HD2 HIS A 212 0.410 -5.742 -6.496 1.00 0.00 H new ATOM 0 HE1 HIS A 212 -1.647 -3.977 -9.760 1.00 0.00 H new ATOM 1146 N GLY A 213 -4.237 -6.790 -7.754 1.00 0.00 N ATOM 1147 CA GLY A 213 -4.222 -7.713 -8.874 1.00 0.00 C ATOM 1148 C GLY A 213 -5.115 -8.917 -8.645 1.00 0.00 C ATOM 1149 O GLY A 213 -5.348 -9.708 -9.559 1.00 0.00 O ATOM 0 H GLY A 213 -4.781 -5.941 -7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 213 -4.545 -7.191 -9.775 1.00 0.00 H new ATOM 0 HA3 GLY A 213 -3.200 -8.050 -9.049 1.00 0.00 H new ATOM 1153 N SER A 214 -5.615 -9.056 -7.421 1.00 0.00 N ATOM 1154 CA SER A 214 -6.484 -10.175 -7.073 1.00 0.00 C ATOM 1155 C SER A 214 -7.949 -9.750 -7.086 1.00 0.00 C ATOM 1156 O SER A 214 -8.716 -10.155 -7.958 1.00 0.00 O ATOM 1157 CB SER A 214 -6.112 -10.727 -5.696 1.00 0.00 C ATOM 1158 OG SER A 214 -6.684 -12.007 -5.488 1.00 0.00 O ATOM 0 H SER A 214 -5.434 -8.408 -6.654 1.00 0.00 H new ATOM 0 HA SER A 214 -6.345 -10.957 -7.819 1.00 0.00 H new ATOM 0 HB2 SER A 214 -5.028 -10.791 -5.607 1.00 0.00 H new ATOM 0 HB3 SER A 214 -6.455 -10.042 -4.921 1.00 0.00 H new ATOM 0 HG SER A 214 -6.430 -12.339 -4.601 1.00 0.00 H new ATOM 1164 N GLN A 215 -8.329 -8.931 -6.110 1.00 0.00 N ATOM 1165 CA GLN A 215 -9.702 -8.451 -6.008 1.00 0.00 C ATOM 1166 C GLN A 215 -9.879 -7.141 -6.769 1.00 0.00 C ATOM 1167 O GLN A 215 -8.922 -6.392 -6.969 1.00 0.00 O ATOM 1168 CB GLN A 215 -10.089 -8.258 -4.541 1.00 0.00 C ATOM 1169 CG GLN A 215 -11.173 -7.214 -4.330 1.00 0.00 C ATOM 1170 CD GLN A 215 -11.838 -7.328 -2.972 1.00 0.00 C ATOM 1171 OE1 GLN A 215 -11.974 -6.341 -2.249 1.00 0.00 O ATOM 1172 NE2 GLN A 215 -12.255 -8.538 -2.617 1.00 0.00 N ATOM 0 H GLN A 215 -7.706 -8.587 -5.380 1.00 0.00 H new ATOM 0 HA GLN A 215 -10.356 -9.200 -6.454 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -10.430 -9.211 -4.136 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -9.203 -7.969 -3.975 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -10.740 -6.219 -4.435 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -11.928 -7.317 -5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -12.122 -9.329 -3.248 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -12.708 -8.677 -1.714 1.00 0.00 H new ATOM 1181 N THR A 216 -11.110 -6.870 -7.193 1.00 0.00 N ATOM 1182 CA THR A 216 -11.412 -5.652 -7.933 1.00 0.00 C ATOM 1183 C THR A 216 -12.410 -4.782 -7.177 1.00 0.00 C ATOM 1184 O THR A 216 -13.611 -5.050 -7.185 1.00 0.00 O ATOM 1185 CB THR A 216 -11.980 -5.970 -9.330 1.00 0.00 C ATOM 1186 OG1 THR A 216 -11.104 -6.865 -10.023 1.00 0.00 O ATOM 1187 CG2 THR A 216 -12.161 -4.697 -10.143 1.00 0.00 C ATOM 0 H THR A 216 -11.914 -7.478 -7.036 1.00 0.00 H new ATOM 0 HA THR A 216 -10.473 -5.109 -8.045 1.00 0.00 H new ATOM 0 HB THR A 216 -12.954 -6.442 -9.203 1.00 0.00 H new ATOM 0 HG1 THR A 216 -11.473 -7.063 -10.909 1.00 0.00 H new ATOM 0 HG21 THR A 216 -12.563 -4.946 -11.125 1.00 0.00 H new ATOM 0 HG22 THR A 216 -12.852 -4.031 -9.627 1.00 0.00 H new ATOM 0 HG23 THR A 216 -11.198 -4.200 -10.261 1.00 0.00 H new ATOM 1195 N MET A 217 -11.904 -3.740 -6.526 1.00 0.00 N ATOM 1196 CA MET A 217 -12.753 -2.830 -5.766 1.00 0.00 C ATOM 1197 C MET A 217 -14.067 -2.574 -6.497 1.00 0.00 C ATOM 1198 O MET A 217 -14.098 -2.333 -7.704 1.00 0.00 O ATOM 1199 CB MET A 217 -12.026 -1.506 -5.521 1.00 0.00 C ATOM 1200 CG MET A 217 -10.797 -1.642 -4.638 1.00 0.00 C ATOM 1201 SD MET A 217 -11.213 -1.945 -2.910 1.00 0.00 S ATOM 1202 CE MET A 217 -10.146 -3.336 -2.543 1.00 0.00 C ATOM 0 H MET A 217 -10.912 -3.505 -6.509 1.00 0.00 H new ATOM 0 HA MET A 217 -12.977 -3.297 -4.807 1.00 0.00 H new ATOM 0 HB2 MET A 217 -11.729 -1.081 -6.480 1.00 0.00 H new ATOM 0 HB3 MET A 217 -12.718 -0.801 -5.060 1.00 0.00 H new ATOM 0 HG2 MET A 217 -10.178 -2.460 -5.007 1.00 0.00 H new ATOM 0 HG3 MET A 217 -10.200 -0.733 -4.710 1.00 0.00 H new ATOM 0 HE1 MET A 217 -10.511 -3.850 -1.654 1.00 0.00 H new ATOM 0 HE2 MET A 217 -10.145 -4.026 -3.386 1.00 0.00 H new ATOM 0 HE3 MET A 217 -9.131 -2.979 -2.365 1.00 0.00 H new ATOM 1212 N PRO A 218 -15.181 -2.627 -5.751 1.00 0.00 N ATOM 1213 CA PRO A 218 -16.518 -2.403 -6.307 1.00 0.00 C ATOM 1214 C PRO A 218 -16.588 -1.140 -7.158 1.00 0.00 C ATOM 1215 O PRO A 218 -16.135 -0.074 -6.742 1.00 0.00 O ATOM 1216 CB PRO A 218 -17.401 -2.261 -5.065 1.00 0.00 C ATOM 1217 CG PRO A 218 -16.694 -3.039 -4.008 1.00 0.00 C ATOM 1218 CD PRO A 218 -15.219 -2.908 -4.306 1.00 0.00 C ATOM 0 HA PRO A 218 -16.823 -3.211 -6.972 1.00 0.00 H new ATOM 0 HB2 PRO A 218 -17.515 -1.216 -4.778 1.00 0.00 H new ATOM 0 HB3 PRO A 218 -18.402 -2.654 -5.243 1.00 0.00 H new ATOM 0 HG2 PRO A 218 -16.927 -2.650 -3.017 1.00 0.00 H new ATOM 0 HG3 PRO A 218 -17.003 -4.084 -4.021 1.00 0.00 H new ATOM 0 HD2 PRO A 218 -14.763 -2.103 -3.729 1.00 0.00 H new ATOM 0 HD3 PRO A 218 -14.678 -3.822 -4.061 1.00 0.00 H new ATOM 1226 N GLY A 219 -17.160 -1.266 -8.352 1.00 0.00 N ATOM 1227 CA GLY A 219 -17.279 -0.126 -9.241 1.00 0.00 C ATOM 1228 C GLY A 219 -16.201 -0.106 -10.306 1.00 0.00 C ATOM 1229 O GLY A 219 -16.473 0.192 -11.469 1.00 0.00 O ATOM 0 H GLY A 219 -17.543 -2.137 -8.719 1.00 0.00 H new ATOM 0 HA2 GLY A 219 -18.258 -0.143 -9.720 1.00 0.00 H new ATOM 0 HA3 GLY A 219 -17.226 0.793 -8.657 1.00 0.00 H new ATOM 1233 N ALA A 220 -14.973 -0.422 -9.908 1.00 0.00 N ATOM 1234 CA ALA A 220 -13.850 -0.440 -10.837 1.00 0.00 C ATOM 1235 C ALA A 220 -13.802 -1.750 -11.616 1.00 0.00 C ATOM 1236 O ALA A 220 -14.128 -2.811 -11.085 1.00 0.00 O ATOM 1237 CB ALA A 220 -12.543 -0.220 -10.089 1.00 0.00 C ATOM 0 H ALA A 220 -14.731 -0.669 -8.948 1.00 0.00 H new ATOM 0 HA ALA A 220 -13.988 0.372 -11.551 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -11.713 -0.236 -10.795 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -12.571 0.745 -9.583 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -12.408 -1.012 -9.352 1.00 0.00 H new ATOM 1243 N SER A 221 -13.394 -1.668 -12.878 1.00 0.00 N ATOM 1244 CA SER A 221 -13.308 -2.847 -13.732 1.00 0.00 C ATOM 1245 C SER A 221 -11.905 -3.445 -13.693 1.00 0.00 C ATOM 1246 O SER A 221 -11.692 -4.584 -14.109 1.00 0.00 O ATOM 1247 CB SER A 221 -13.683 -2.489 -15.171 1.00 0.00 C ATOM 1248 OG SER A 221 -15.088 -2.403 -15.326 1.00 0.00 O ATOM 0 H SER A 221 -13.118 -0.797 -13.332 1.00 0.00 H new ATOM 0 HA SER A 221 -14.011 -3.590 -13.355 1.00 0.00 H new ATOM 0 HB2 SER A 221 -13.225 -1.538 -15.443 1.00 0.00 H new ATOM 0 HB3 SER A 221 -13.284 -3.241 -15.852 1.00 0.00 H new ATOM 0 HG SER A 221 -15.301 -2.171 -16.254 1.00 0.00 H new ATOM 1254 N SER A 222 -10.951 -2.667 -13.191 1.00 0.00 N ATOM 1255 CA SER A 222 -9.567 -3.117 -13.100 1.00 0.00 C ATOM 1256 C SER A 222 -9.239 -3.585 -11.686 1.00 0.00 C ATOM 1257 O SER A 222 -9.701 -3.002 -10.705 1.00 0.00 O ATOM 1258 CB SER A 222 -8.615 -1.992 -13.512 1.00 0.00 C ATOM 1259 OG SER A 222 -8.722 -1.715 -14.897 1.00 0.00 O ATOM 0 H SER A 222 -11.111 -1.722 -12.841 1.00 0.00 H new ATOM 0 HA SER A 222 -9.439 -3.959 -13.780 1.00 0.00 H new ATOM 0 HB2 SER A 222 -8.841 -1.092 -12.940 1.00 0.00 H new ATOM 0 HB3 SER A 222 -7.590 -2.273 -13.272 1.00 0.00 H new ATOM 0 HG SER A 222 -8.105 -0.992 -15.135 1.00 0.00 H new ATOM 1265 N SER A 223 -8.438 -4.641 -11.589 1.00 0.00 N ATOM 1266 CA SER A 223 -8.050 -5.190 -10.295 1.00 0.00 C ATOM 1267 C SER A 223 -7.423 -4.114 -9.414 1.00 0.00 C ATOM 1268 O SER A 223 -6.903 -3.114 -9.910 1.00 0.00 O ATOM 1269 CB SER A 223 -7.067 -6.348 -10.483 1.00 0.00 C ATOM 1270 OG SER A 223 -7.708 -7.473 -11.058 1.00 0.00 O ATOM 0 H SER A 223 -8.045 -5.134 -12.391 1.00 0.00 H new ATOM 0 HA SER A 223 -8.948 -5.561 -9.801 1.00 0.00 H new ATOM 0 HB2 SER A 223 -6.243 -6.029 -11.121 1.00 0.00 H new ATOM 0 HB3 SER A 223 -6.636 -6.624 -9.520 1.00 0.00 H new ATOM 0 HG SER A 223 -7.058 -8.198 -11.169 1.00 0.00 H new ATOM 1276 N LEU A 224 -7.477 -4.326 -8.103 1.00 0.00 N ATOM 1277 CA LEU A 224 -6.915 -3.375 -7.151 1.00 0.00 C ATOM 1278 C LEU A 224 -5.467 -3.046 -7.499 1.00 0.00 C ATOM 1279 O LEU A 224 -4.802 -3.800 -8.210 1.00 0.00 O ATOM 1280 CB LEU A 224 -6.995 -3.938 -5.731 1.00 0.00 C ATOM 1281 CG LEU A 224 -6.302 -3.117 -4.643 1.00 0.00 C ATOM 1282 CD1 LEU A 224 -7.028 -1.798 -4.425 1.00 0.00 C ATOM 1283 CD2 LEU A 224 -6.226 -3.907 -3.345 1.00 0.00 C ATOM 0 H LEU A 224 -7.904 -5.148 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 224 -7.499 -2.456 -7.205 1.00 0.00 H new ATOM 0 HB2 LEU A 224 -8.046 -4.045 -5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 224 -6.563 -4.939 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 224 -5.286 -2.899 -4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 224 -6.520 -1.227 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 224 -7.029 -1.226 -5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 224 -8.055 -1.995 -4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 224 -5.730 -3.307 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 224 -7.233 -4.157 -3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 224 -5.660 -4.824 -3.510 1.00 0.00 H new ATOM 1295 N VAL A 225 -4.983 -1.916 -6.992 1.00 0.00 N ATOM 1296 CA VAL A 225 -3.613 -1.489 -7.247 1.00 0.00 C ATOM 1297 C VAL A 225 -2.906 -1.109 -5.951 1.00 0.00 C ATOM 1298 O VAL A 225 -3.262 -0.125 -5.303 1.00 0.00 O ATOM 1299 CB VAL A 225 -3.569 -0.291 -8.214 1.00 0.00 C ATOM 1300 CG1 VAL A 225 -2.134 0.163 -8.437 1.00 0.00 C ATOM 1301 CG2 VAL A 225 -4.236 -0.647 -9.534 1.00 0.00 C ATOM 0 H VAL A 225 -5.520 -1.280 -6.402 1.00 0.00 H new ATOM 0 HA VAL A 225 -3.098 -2.334 -7.704 1.00 0.00 H new ATOM 0 HB VAL A 225 -4.121 0.536 -7.766 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -2.123 1.010 -9.123 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -1.695 0.461 -7.485 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -1.555 -0.656 -8.863 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -4.196 0.211 -10.205 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -3.715 -1.489 -9.990 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -5.276 -0.919 -9.354 1.00 0.00 H new ATOM 1311 N VAL A 226 -1.902 -1.896 -5.578 1.00 0.00 N ATOM 1312 CA VAL A 226 -1.143 -1.641 -4.359 1.00 0.00 C ATOM 1313 C VAL A 226 0.348 -1.871 -4.582 1.00 0.00 C ATOM 1314 O VAL A 226 0.785 -2.998 -4.817 1.00 0.00 O ATOM 1315 CB VAL A 226 -1.622 -2.537 -3.202 1.00 0.00 C ATOM 1316 CG1 VAL A 226 -0.903 -2.174 -1.912 1.00 0.00 C ATOM 1317 CG2 VAL A 226 -3.130 -2.425 -3.031 1.00 0.00 C ATOM 0 H VAL A 226 -1.595 -2.715 -6.102 1.00 0.00 H new ATOM 0 HA VAL A 226 -1.311 -0.597 -4.094 1.00 0.00 H new ATOM 0 HB VAL A 226 -1.382 -3.572 -3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 226 -1.255 -2.818 -1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 226 0.170 -2.310 -2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 226 -1.109 -1.133 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 226 -3.451 -3.065 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 226 -3.395 -1.391 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 226 -3.625 -2.739 -3.950 1.00 0.00 H new ATOM 1327 N LYS A 227 1.125 -0.796 -4.507 1.00 0.00 N ATOM 1328 CA LYS A 227 2.568 -0.879 -4.698 1.00 0.00 C ATOM 1329 C LYS A 227 3.308 -0.156 -3.577 1.00 0.00 C ATOM 1330 O LYS A 227 2.707 0.591 -2.804 1.00 0.00 O ATOM 1331 CB LYS A 227 2.959 -0.281 -6.051 1.00 0.00 C ATOM 1332 CG LYS A 227 2.453 1.136 -6.258 1.00 0.00 C ATOM 1333 CD LYS A 227 2.349 1.481 -7.735 1.00 0.00 C ATOM 1334 CE LYS A 227 1.555 2.759 -7.954 1.00 0.00 C ATOM 1335 NZ LYS A 227 0.087 2.509 -7.944 1.00 0.00 N ATOM 0 H LYS A 227 0.779 0.144 -4.315 1.00 0.00 H new ATOM 0 HA LYS A 227 2.852 -1.931 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 227 4.045 -0.287 -6.141 1.00 0.00 H new ATOM 0 HB3 LYS A 227 2.570 -0.917 -6.846 1.00 0.00 H new ATOM 0 HG2 LYS A 227 1.476 1.247 -5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 227 3.125 1.839 -5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 227 3.349 1.596 -8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 227 1.872 0.659 -8.269 1.00 0.00 H new ATOM 0 HE2 LYS A 227 1.806 3.480 -7.176 1.00 0.00 H new ATOM 0 HE3 LYS A 227 1.841 3.205 -8.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 -0.420 3.417 -7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 -0.181 1.980 -8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 -0.165 1.955 -7.101 1.00 0.00 H new ATOM 1349 N PHE A 228 4.615 -0.381 -3.496 1.00 0.00 N ATOM 1350 CA PHE A 228 5.437 0.250 -2.470 1.00 0.00 C ATOM 1351 C PHE A 228 5.605 1.741 -2.748 1.00 0.00 C ATOM 1352 O PHE A 228 6.315 2.134 -3.672 1.00 0.00 O ATOM 1353 CB PHE A 228 6.808 -0.425 -2.399 1.00 0.00 C ATOM 1354 CG PHE A 228 6.735 -1.915 -2.224 1.00 0.00 C ATOM 1355 CD1 PHE A 228 6.433 -2.467 -0.990 1.00 0.00 C ATOM 1356 CD2 PHE A 228 6.968 -2.763 -3.295 1.00 0.00 C ATOM 1357 CE1 PHE A 228 6.365 -3.838 -0.826 1.00 0.00 C ATOM 1358 CE2 PHE A 228 6.901 -4.135 -3.137 1.00 0.00 C ATOM 1359 CZ PHE A 228 6.600 -4.673 -1.901 1.00 0.00 C ATOM 0 H PHE A 228 5.128 -0.995 -4.128 1.00 0.00 H new ATOM 0 HA PHE A 228 4.932 0.132 -1.511 1.00 0.00 H new ATOM 0 HB2 PHE A 228 7.362 -0.201 -3.311 1.00 0.00 H new ATOM 0 HB3 PHE A 228 7.372 0.003 -1.570 1.00 0.00 H new ATOM 0 HD1 PHE A 228 6.248 -1.819 -0.146 1.00 0.00 H new ATOM 0 HD2 PHE A 228 7.204 -2.348 -4.264 1.00 0.00 H new ATOM 0 HE1 PHE A 228 6.128 -4.256 0.141 1.00 0.00 H new ATOM 0 HE2 PHE A 228 7.084 -4.786 -3.979 1.00 0.00 H new ATOM 0 HZ PHE A 228 6.548 -5.744 -1.775 1.00 0.00 H new