USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 620 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 318 THR OG1 : rot -60:sc= 0.151 USER MOD Set 1.2: A 338 SER OG : rot 180:sc= 0.00925 USER MOD Single : A 323 GLN : amide:sc= -0.0773 K(o=-0.077,f=-0.76) USER MOD Single : A 330 SER OG : rot 180:sc= 0 USER MOD Single : A 331 SER OG : rot 150:sc= -0.0722 USER MOD Single : A 333 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 334 ASN : amide:sc= -0.0067 K(o=-0.0067,f=-1.6!) USER MOD Single : A 335 GLN :FLIP amide:sc= -0.842 F(o=-1.8!,f=-0.84) USER MOD Single : A 347 GLN : amide:sc=-0.00496 X(o=-0.005,f=0) USER MOD Single : A 351 GLN : amide:sc= -0.0214 K(o=-0.021,f=-0.89) USER MOD Single : A 352 THR OG1 : rot 180:sc= 0 USER MOD Single : A 355 ASN : amide:sc= -0.0097 K(o=-0.0097,f=-1.3) USER MOD Single : A 356 THR OG1 : rot -170:sc= -0.119 USER MOD Single : A 357 TYR OH : rot 180:sc=-0.00425 USER MOD Single : A 359 ASN : amide:sc= -0.632 K(o=-0.63,f=-1.9) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 364 THR OG1 : rot 180:sc= 0 USER MOD Single : A 365 MET CE :methyl -132:sc= -0.0694 (180deg=-2.19!) USER MOD Single : A 372 THR OG1 : rot 180:sc= 0 USER MOD Single : A 373 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 376 TYR OH : rot 130:sc= -0.578 USER MOD Single : A 377 LYS NZ :NH3+ -107:sc= -0.223 (180deg=-2.1) USER MOD Single : A 378 LYS NZ :NH3+ 157:sc= -1.05 (180deg=-3.8!) USER MOD Single : A 379 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 388 SER OG : rot 180:sc= 0 USER MOD Single : A 390 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N THR A 318 -8.558 13.106 -4.688 1.00 0.00 N ATOM 164 CA THR A 318 -7.358 12.569 -5.326 1.00 0.00 C ATOM 165 C THR A 318 -6.441 11.913 -4.286 1.00 0.00 C ATOM 166 O THR A 318 -5.318 12.363 -4.049 1.00 0.00 O ATOM 167 CB THR A 318 -6.619 13.673 -6.100 1.00 0.00 C ATOM 168 OG1 THR A 318 -5.453 13.160 -6.726 1.00 0.00 O ATOM 169 CG2 THR A 318 -6.201 14.848 -5.239 1.00 0.00 C ATOM 0 HA THR A 318 -7.658 11.801 -6.039 1.00 0.00 H new ATOM 0 HB THR A 318 -7.340 14.028 -6.837 1.00 0.00 H new ATOM 0 HG1 THR A 318 -4.849 12.798 -6.045 1.00 0.00 H new ATOM 0 HG21 THR A 318 -5.686 15.585 -5.855 1.00 0.00 H new ATOM 0 HG22 THR A 318 -7.084 15.303 -4.791 1.00 0.00 H new ATOM 0 HG23 THR A 318 -5.532 14.502 -4.451 1.00 0.00 H new ATOM 177 N VAL A 319 -6.943 10.846 -3.667 1.00 0.00 N ATOM 178 CA VAL A 319 -6.189 10.112 -2.648 1.00 0.00 C ATOM 179 C VAL A 319 -6.336 8.599 -2.824 1.00 0.00 C ATOM 180 O VAL A 319 -7.185 8.132 -3.588 1.00 0.00 O ATOM 181 CB VAL A 319 -6.641 10.493 -1.221 1.00 0.00 C ATOM 182 CG1 VAL A 319 -6.318 11.951 -0.920 1.00 0.00 C ATOM 183 CG2 VAL A 319 -8.128 10.215 -1.035 1.00 0.00 C ATOM 0 H VAL A 319 -7.872 10.468 -3.853 1.00 0.00 H new ATOM 0 HA VAL A 319 -5.143 10.391 -2.779 1.00 0.00 H new ATOM 0 HB VAL A 319 -6.089 9.874 -0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 319 -6.646 12.195 0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 319 -5.243 12.110 -1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 319 -6.834 12.593 -1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 319 -8.426 10.490 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 319 -8.700 10.801 -1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 319 -8.323 9.154 -1.195 1.00 0.00 H new ATOM 193 N ALA A 320 -5.503 7.841 -2.109 1.00 0.00 N ATOM 194 CA ALA A 320 -5.530 6.376 -2.181 1.00 0.00 C ATOM 195 C ALA A 320 -5.773 5.749 -0.807 1.00 0.00 C ATOM 196 O ALA A 320 -5.434 6.327 0.227 1.00 0.00 O ATOM 197 CB ALA A 320 -4.237 5.847 -2.786 1.00 0.00 C ATOM 0 H ALA A 320 -4.800 8.216 -1.472 1.00 0.00 H new ATOM 0 HA ALA A 320 -6.362 6.093 -2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -4.275 4.759 -2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -4.115 6.248 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -3.393 6.155 -2.168 1.00 0.00 H new ATOM 203 N ARG A 321 -6.381 4.569 -0.805 1.00 0.00 N ATOM 204 CA ARG A 321 -6.683 3.862 0.433 1.00 0.00 C ATOM 205 C ARG A 321 -5.999 2.504 0.459 1.00 0.00 C ATOM 206 O ARG A 321 -6.170 1.699 -0.456 1.00 0.00 O ATOM 207 CB ARG A 321 -8.190 3.686 0.569 1.00 0.00 C ATOM 208 CG ARG A 321 -8.704 3.882 1.988 1.00 0.00 C ATOM 209 CD ARG A 321 -10.222 3.777 2.055 1.00 0.00 C ATOM 210 NE ARG A 321 -10.846 5.057 2.392 1.00 0.00 N ATOM 211 CZ ARG A 321 -11.199 5.980 1.493 1.00 0.00 C ATOM 212 NH1 ARG A 321 -10.992 5.776 0.193 1.00 0.00 N ATOM 213 NH2 ARG A 321 -11.764 7.113 1.897 1.00 0.00 N ATOM 0 H ARG A 321 -6.675 4.080 -1.650 1.00 0.00 H new ATOM 0 HA ARG A 321 -6.309 4.451 1.270 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -8.691 4.395 -0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -8.462 2.687 0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -8.258 3.134 2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -8.390 4.858 2.358 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -10.604 3.429 1.095 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -10.501 3.031 2.799 1.00 0.00 H new ATOM 0 HE ARG A 321 -11.023 5.257 3.376 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -10.560 4.908 -0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -11.265 6.488 -0.485 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -11.927 7.276 2.891 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -12.035 7.820 1.213 1.00 0.00 H new ATOM 227 N ILE A 322 -5.224 2.252 1.509 1.00 0.00 N ATOM 228 CA ILE A 322 -4.516 0.985 1.644 1.00 0.00 C ATOM 229 C ILE A 322 -4.821 0.325 2.981 1.00 0.00 C ATOM 230 O ILE A 322 -5.007 1.001 3.996 1.00 0.00 O ATOM 231 CB ILE A 322 -2.986 1.144 1.509 1.00 0.00 C ATOM 232 CG1 ILE A 322 -2.627 2.402 0.709 1.00 0.00 C ATOM 233 CG2 ILE A 322 -2.381 -0.091 0.857 1.00 0.00 C ATOM 234 CD1 ILE A 322 -2.962 2.302 -0.766 1.00 0.00 C ATOM 0 H ILE A 322 -5.071 2.906 2.276 1.00 0.00 H new ATOM 0 HA ILE A 322 -4.872 0.356 0.828 1.00 0.00 H new ATOM 0 HB ILE A 322 -2.569 1.253 2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 322 -3.154 3.256 1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 322 -1.561 2.599 0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 322 -1.302 0.036 0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 322 -2.594 -0.967 1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 322 -2.813 -0.227 -0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 322 -2.680 3.228 -1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 322 -2.414 1.469 -1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 322 -4.033 2.136 -0.886 1.00 0.00 H new ATOM 246 N GLN A 323 -4.866 -1.001 2.970 1.00 0.00 N ATOM 247 CA GLN A 323 -5.141 -1.774 4.172 1.00 0.00 C ATOM 248 C GLN A 323 -3.941 -2.644 4.532 1.00 0.00 C ATOM 249 O GLN A 323 -3.610 -3.592 3.814 1.00 0.00 O ATOM 250 CB GLN A 323 -6.387 -2.637 3.972 1.00 0.00 C ATOM 251 CG GLN A 323 -7.676 -1.950 4.398 1.00 0.00 C ATOM 252 CD GLN A 323 -8.532 -1.516 3.221 1.00 0.00 C ATOM 253 OE1 GLN A 323 -8.027 -0.977 2.234 1.00 0.00 O ATOM 254 NE2 GLN A 323 -9.838 -1.744 3.320 1.00 0.00 N ATOM 0 H GLN A 323 -4.714 -1.566 2.135 1.00 0.00 H new ATOM 0 HA GLN A 323 -5.325 -1.084 4.996 1.00 0.00 H new ATOM 0 HB2 GLN A 323 -6.463 -2.914 2.920 1.00 0.00 H new ATOM 0 HB3 GLN A 323 -6.273 -3.562 4.538 1.00 0.00 H new ATOM 0 HG2 GLN A 323 -8.251 -2.628 5.029 1.00 0.00 H new ATOM 0 HG3 GLN A 323 -7.433 -1.078 5.005 1.00 0.00 H new ATOM 0 HE21 GLN A 323 -10.216 -2.193 4.154 1.00 0.00 H new ATOM 0 HE22 GLN A 323 -10.462 -1.470 2.561 1.00 0.00 H new ATOM 263 N PHE A 324 -3.288 -2.309 5.645 1.00 0.00 N ATOM 264 CA PHE A 324 -2.117 -3.047 6.106 1.00 0.00 C ATOM 265 C PHE A 324 -2.527 -4.288 6.893 1.00 0.00 C ATOM 266 O PHE A 324 -3.127 -4.187 7.963 1.00 0.00 O ATOM 267 CB PHE A 324 -1.234 -2.146 6.971 1.00 0.00 C ATOM 268 CG PHE A 324 0.234 -2.268 6.668 1.00 0.00 C ATOM 269 CD1 PHE A 324 0.790 -1.616 5.577 1.00 0.00 C ATOM 270 CD2 PHE A 324 1.057 -3.030 7.477 1.00 0.00 C ATOM 271 CE1 PHE A 324 2.141 -1.726 5.302 1.00 0.00 C ATOM 272 CE2 PHE A 324 2.406 -3.144 7.207 1.00 0.00 C ATOM 273 CZ PHE A 324 2.949 -2.491 6.120 1.00 0.00 C ATOM 0 H PHE A 324 -3.553 -1.528 6.245 1.00 0.00 H new ATOM 0 HA PHE A 324 -1.552 -3.369 5.231 1.00 0.00 H new ATOM 0 HB2 PHE A 324 -1.540 -1.109 6.831 1.00 0.00 H new ATOM 0 HB3 PHE A 324 -1.401 -2.388 8.021 1.00 0.00 H new ATOM 0 HD1 PHE A 324 0.161 -1.016 4.936 1.00 0.00 H new ATOM 0 HD2 PHE A 324 0.639 -3.542 8.331 1.00 0.00 H new ATOM 0 HE1 PHE A 324 2.563 -1.215 4.449 1.00 0.00 H new ATOM 0 HE2 PHE A 324 3.036 -3.744 7.847 1.00 0.00 H new ATOM 0 HZ PHE A 324 4.005 -2.578 5.909 1.00 0.00 H new ATOM 283 N ARG A 325 -2.198 -5.458 6.353 1.00 0.00 N ATOM 284 CA ARG A 325 -2.531 -6.723 6.992 1.00 0.00 C ATOM 285 C ARG A 325 -1.351 -7.264 7.793 1.00 0.00 C ATOM 286 O ARG A 325 -0.259 -6.692 7.781 1.00 0.00 O ATOM 287 CB ARG A 325 -2.954 -7.755 5.944 1.00 0.00 C ATOM 288 CG ARG A 325 -3.821 -7.181 4.831 1.00 0.00 C ATOM 289 CD ARG A 325 -4.801 -8.213 4.295 1.00 0.00 C ATOM 290 NE ARG A 325 -4.708 -8.359 2.840 1.00 0.00 N ATOM 291 CZ ARG A 325 -5.665 -8.900 2.082 1.00 0.00 C ATOM 292 NH1 ARG A 325 -6.789 -9.353 2.632 1.00 0.00 N ATOM 293 NH2 ARG A 325 -5.496 -8.991 0.767 1.00 0.00 N ATOM 0 H ARG A 325 -1.698 -5.554 5.469 1.00 0.00 H new ATOM 0 HA ARG A 325 -3.360 -6.540 7.676 1.00 0.00 H new ATOM 0 HB2 ARG A 325 -2.061 -8.199 5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 325 -3.499 -8.559 6.439 1.00 0.00 H new ATOM 0 HG2 ARG A 325 -4.370 -6.317 5.206 1.00 0.00 H new ATOM 0 HG3 ARG A 325 -3.185 -6.827 4.020 1.00 0.00 H new ATOM 0 HD2 ARG A 325 -4.608 -9.176 4.768 1.00 0.00 H new ATOM 0 HD3 ARG A 325 -5.816 -7.923 4.565 1.00 0.00 H new ATOM 0 HE ARG A 325 -3.861 -8.027 2.378 1.00 0.00 H new ATOM 0 HH11 ARG A 325 -6.925 -9.289 3.641 1.00 0.00 H new ATOM 0 HH12 ARG A 325 -7.514 -9.765 2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 325 -4.636 -8.648 0.338 1.00 0.00 H new ATOM 0 HH22 ARG A 325 -6.226 -9.404 0.186 1.00 0.00 H new ATOM 307 N LEU A 326 -1.579 -8.382 8.480 1.00 0.00 N ATOM 308 CA LEU A 326 -0.540 -9.024 9.283 1.00 0.00 C ATOM 309 C LEU A 326 -0.845 -10.512 9.478 1.00 0.00 C ATOM 310 O LEU A 326 -1.973 -10.954 9.244 1.00 0.00 O ATOM 311 CB LEU A 326 -0.377 -8.320 10.646 1.00 0.00 C ATOM 312 CG LEU A 326 -1.667 -7.837 11.332 1.00 0.00 C ATOM 313 CD1 LEU A 326 -2.199 -6.575 10.665 1.00 0.00 C ATOM 314 CD2 LEU A 326 -2.723 -8.933 11.334 1.00 0.00 C ATOM 0 H LEU A 326 -2.478 -8.864 8.496 1.00 0.00 H new ATOM 0 HA LEU A 326 0.402 -8.935 8.742 1.00 0.00 H new ATOM 0 HB2 LEU A 326 0.133 -9.004 11.324 1.00 0.00 H new ATOM 0 HB3 LEU A 326 0.278 -7.460 10.509 1.00 0.00 H new ATOM 0 HG LEU A 326 -1.427 -7.596 12.367 1.00 0.00 H new ATOM 0 HD11 LEU A 326 -3.111 -6.254 11.168 1.00 0.00 H new ATOM 0 HD12 LEU A 326 -1.451 -5.785 10.732 1.00 0.00 H new ATOM 0 HD13 LEU A 326 -2.416 -6.781 9.617 1.00 0.00 H new ATOM 0 HD21 LEU A 326 -3.625 -8.568 11.824 1.00 0.00 H new ATOM 0 HD22 LEU A 326 -2.957 -9.215 10.307 1.00 0.00 H new ATOM 0 HD23 LEU A 326 -2.344 -9.802 11.872 1.00 0.00 H new ATOM 326 N PRO A 327 0.159 -11.305 9.914 1.00 0.00 N ATOM 327 CA PRO A 327 -0.002 -12.751 10.142 1.00 0.00 C ATOM 328 C PRO A 327 -1.231 -13.089 10.984 1.00 0.00 C ATOM 329 O PRO A 327 -1.848 -14.137 10.798 1.00 0.00 O ATOM 330 CB PRO A 327 1.276 -13.131 10.891 1.00 0.00 C ATOM 331 CG PRO A 327 2.284 -12.137 10.436 1.00 0.00 C ATOM 332 CD PRO A 327 1.530 -10.854 10.222 1.00 0.00 C ATOM 0 HA PRO A 327 -0.150 -13.291 9.207 1.00 0.00 H new ATOM 0 HB2 PRO A 327 1.132 -13.085 11.970 1.00 0.00 H new ATOM 0 HB3 PRO A 327 1.587 -14.149 10.654 1.00 0.00 H new ATOM 0 HG2 PRO A 327 3.070 -12.009 11.180 1.00 0.00 H new ATOM 0 HG3 PRO A 327 2.767 -12.464 9.515 1.00 0.00 H new ATOM 0 HD2 PRO A 327 1.554 -10.222 11.110 1.00 0.00 H new ATOM 0 HD3 PRO A 327 1.954 -10.271 9.404 1.00 0.00 H new ATOM 340 N ASP A 328 -1.578 -12.192 11.912 1.00 0.00 N ATOM 341 CA ASP A 328 -2.734 -12.384 12.789 1.00 0.00 C ATOM 342 C ASP A 328 -4.021 -12.611 11.987 1.00 0.00 C ATOM 343 O ASP A 328 -4.892 -13.373 12.411 1.00 0.00 O ATOM 344 CB ASP A 328 -2.902 -11.176 13.715 1.00 0.00 C ATOM 345 CG ASP A 328 -2.986 -11.576 15.176 1.00 0.00 C ATOM 346 OD1 ASP A 328 -4.058 -12.057 15.599 1.00 0.00 O ATOM 347 OD2 ASP A 328 -1.978 -11.411 15.894 1.00 0.00 O ATOM 0 H ASP A 328 -1.071 -11.322 12.075 1.00 0.00 H new ATOM 0 HA ASP A 328 -2.550 -13.276 13.387 1.00 0.00 H new ATOM 0 HB2 ASP A 328 -2.063 -10.495 13.575 1.00 0.00 H new ATOM 0 HB3 ASP A 328 -3.804 -10.631 13.438 1.00 0.00 H new ATOM 352 N GLY A 329 -4.137 -11.949 10.832 1.00 0.00 N ATOM 353 CA GLY A 329 -5.321 -12.100 10.000 1.00 0.00 C ATOM 354 C GLY A 329 -5.977 -10.770 9.671 1.00 0.00 C ATOM 355 O GLY A 329 -6.220 -10.465 8.502 1.00 0.00 O ATOM 0 H GLY A 329 -3.432 -11.312 10.460 1.00 0.00 H new ATOM 0 HA2 GLY A 329 -5.048 -12.605 9.074 1.00 0.00 H new ATOM 0 HA3 GLY A 329 -6.041 -12.739 10.511 1.00 0.00 H new ATOM 359 N SER A 330 -6.265 -9.981 10.705 1.00 0.00 N ATOM 360 CA SER A 330 -6.901 -8.673 10.532 1.00 0.00 C ATOM 361 C SER A 330 -5.975 -7.687 9.808 1.00 0.00 C ATOM 362 O SER A 330 -4.831 -8.012 9.488 1.00 0.00 O ATOM 363 CB SER A 330 -7.309 -8.102 11.893 1.00 0.00 C ATOM 364 OG SER A 330 -8.120 -9.019 12.609 1.00 0.00 O ATOM 0 H SER A 330 -6.068 -10.225 11.676 1.00 0.00 H new ATOM 0 HA SER A 330 -7.789 -8.814 9.916 1.00 0.00 H new ATOM 0 HB2 SER A 330 -6.417 -7.869 12.475 1.00 0.00 H new ATOM 0 HB3 SER A 330 -7.851 -7.167 11.751 1.00 0.00 H new ATOM 0 HG SER A 330 -8.366 -8.632 13.475 1.00 0.00 H new ATOM 370 N SER A 331 -6.483 -6.479 9.550 1.00 0.00 N ATOM 371 CA SER A 331 -5.703 -5.447 8.864 1.00 0.00 C ATOM 372 C SER A 331 -6.116 -4.048 9.324 1.00 0.00 C ATOM 373 O SER A 331 -7.193 -3.863 9.896 1.00 0.00 O ATOM 374 CB SER A 331 -5.867 -5.565 7.340 1.00 0.00 C ATOM 375 OG SER A 331 -6.332 -6.852 6.960 1.00 0.00 O ATOM 0 H SER A 331 -7.428 -6.193 9.805 1.00 0.00 H new ATOM 0 HA SER A 331 -4.655 -5.600 9.120 1.00 0.00 H new ATOM 0 HB2 SER A 331 -6.567 -4.807 6.990 1.00 0.00 H new ATOM 0 HB3 SER A 331 -4.912 -5.365 6.855 1.00 0.00 H new ATOM 0 HG SER A 331 -6.864 -6.779 6.140 1.00 0.00 H new ATOM 381 N PHE A 332 -5.253 -3.065 9.064 1.00 0.00 N ATOM 382 CA PHE A 332 -5.521 -1.681 9.444 1.00 0.00 C ATOM 383 C PHE A 332 -5.751 -0.826 8.198 1.00 0.00 C ATOM 384 O PHE A 332 -4.923 -0.811 7.286 1.00 0.00 O ATOM 385 CB PHE A 332 -4.358 -1.105 10.268 1.00 0.00 C ATOM 386 CG PHE A 332 -3.732 -2.082 11.232 1.00 0.00 C ATOM 387 CD1 PHE A 332 -4.518 -2.897 12.034 1.00 0.00 C ATOM 388 CD2 PHE A 332 -2.352 -2.183 11.334 1.00 0.00 C ATOM 389 CE1 PHE A 332 -3.941 -3.792 12.915 1.00 0.00 C ATOM 390 CE2 PHE A 332 -1.770 -3.076 12.214 1.00 0.00 C ATOM 391 CZ PHE A 332 -2.565 -3.882 13.005 1.00 0.00 C ATOM 0 H PHE A 332 -4.360 -3.204 8.590 1.00 0.00 H new ATOM 0 HA PHE A 332 -6.421 -1.665 10.059 1.00 0.00 H new ATOM 0 HB2 PHE A 332 -3.589 -0.744 9.585 1.00 0.00 H new ATOM 0 HB3 PHE A 332 -4.718 -0.242 10.828 1.00 0.00 H new ATOM 0 HD1 PHE A 332 -5.594 -2.831 11.969 1.00 0.00 H new ATOM 0 HD2 PHE A 332 -1.725 -1.556 10.718 1.00 0.00 H new ATOM 0 HE1 PHE A 332 -4.565 -4.421 13.533 1.00 0.00 H new ATOM 0 HE2 PHE A 332 -0.694 -3.143 12.283 1.00 0.00 H new ATOM 0 HZ PHE A 332 -2.112 -4.581 13.692 1.00 0.00 H new ATOM 401 N THR A 333 -6.879 -0.120 8.165 1.00 0.00 N ATOM 402 CA THR A 333 -7.217 0.731 7.026 1.00 0.00 C ATOM 403 C THR A 333 -6.792 2.176 7.276 1.00 0.00 C ATOM 404 O THR A 333 -7.197 2.789 8.266 1.00 0.00 O ATOM 405 CB THR A 333 -8.723 0.669 6.749 1.00 0.00 C ATOM 406 OG1 THR A 333 -9.162 -0.676 6.672 1.00 0.00 O ATOM 407 CG2 THR A 333 -9.131 1.359 5.464 1.00 0.00 C ATOM 0 H THR A 333 -7.573 -0.120 8.912 1.00 0.00 H new ATOM 0 HA THR A 333 -6.676 0.361 6.155 1.00 0.00 H new ATOM 0 HB THR A 333 -9.189 1.193 7.583 1.00 0.00 H new ATOM 0 HG1 THR A 333 -10.126 -0.696 6.496 1.00 0.00 H new ATOM 0 HG21 THR A 333 -10.210 1.275 5.333 1.00 0.00 H new ATOM 0 HG22 THR A 333 -8.852 2.412 5.512 1.00 0.00 H new ATOM 0 HG23 THR A 333 -8.625 0.887 4.621 1.00 0.00 H new ATOM 415 N ASN A 334 -5.973 2.712 6.372 1.00 0.00 N ATOM 416 CA ASN A 334 -5.490 4.085 6.490 1.00 0.00 C ATOM 417 C ASN A 334 -5.690 4.858 5.185 1.00 0.00 C ATOM 418 O ASN A 334 -6.085 4.286 4.166 1.00 0.00 O ATOM 419 CB ASN A 334 -4.010 4.097 6.882 1.00 0.00 C ATOM 420 CG ASN A 334 -3.761 4.875 8.159 1.00 0.00 C ATOM 421 OD1 ASN A 334 -4.073 6.064 8.246 1.00 0.00 O ATOM 422 ND2 ASN A 334 -3.198 4.211 9.162 1.00 0.00 N ATOM 0 H ASN A 334 -5.631 2.215 5.550 1.00 0.00 H new ATOM 0 HA ASN A 334 -6.071 4.577 7.270 1.00 0.00 H new ATOM 0 HB2 ASN A 334 -3.662 3.072 7.009 1.00 0.00 H new ATOM 0 HB3 ASN A 334 -3.425 4.534 6.073 1.00 0.00 H new ATOM 0 HD21 ASN A 334 -3.009 4.685 10.045 1.00 0.00 H new ATOM 0 HD22 ASN A 334 -2.955 3.227 9.049 1.00 0.00 H new ATOM 429 N GLN A 335 -5.410 6.163 5.228 1.00 0.00 N ATOM 430 CA GLN A 335 -5.556 7.020 4.056 1.00 0.00 C ATOM 431 C GLN A 335 -4.193 7.499 3.561 1.00 0.00 C ATOM 432 O GLN A 335 -3.461 8.175 4.284 1.00 0.00 O ATOM 433 CB GLN A 335 -6.445 8.224 4.387 1.00 0.00 C ATOM 434 CG GLN A 335 -7.459 8.553 3.301 1.00 0.00 C ATOM 435 CD GLN A 335 -8.026 9.957 3.428 1.00 0.00 C ATOM 436 OE1 GLN A 335 -8.672 10.432 2.370 1.00 0.00 O flip ATOM 437 NE2 GLN A 335 -7.890 10.607 4.466 1.00 0.00 N flip ATOM 0 H GLN A 335 -5.081 6.646 6.064 1.00 0.00 H new ATOM 0 HA GLN A 335 -6.026 6.437 3.264 1.00 0.00 H new ATOM 0 HB2 GLN A 335 -6.975 8.028 5.319 1.00 0.00 H new ATOM 0 HB3 GLN A 335 -5.813 9.095 4.557 1.00 0.00 H new ATOM 0 HG2 GLN A 335 -6.987 8.444 2.325 1.00 0.00 H new ATOM 0 HG3 GLN A 335 -8.275 7.832 3.342 1.00 0.00 H new ATOM 0 HE21 GLN A 335 -7.386 10.205 5.257 1.00 0.00 H new ATOM 0 HE22 GLN A 335 -8.281 11.547 4.534 1.00 0.00 H new ATOM 446 N PHE A 336 -3.870 7.150 2.320 1.00 0.00 N ATOM 447 CA PHE A 336 -2.605 7.546 1.708 1.00 0.00 C ATOM 448 C PHE A 336 -2.866 8.195 0.350 1.00 0.00 C ATOM 449 O PHE A 336 -3.387 7.552 -0.555 1.00 0.00 O ATOM 450 CB PHE A 336 -1.690 6.330 1.545 1.00 0.00 C ATOM 451 CG PHE A 336 -1.324 5.667 2.845 1.00 0.00 C ATOM 452 CD1 PHE A 336 -0.264 6.138 3.602 1.00 0.00 C ATOM 453 CD2 PHE A 336 -2.040 4.574 3.308 1.00 0.00 C ATOM 454 CE1 PHE A 336 0.075 5.531 4.797 1.00 0.00 C ATOM 455 CE2 PHE A 336 -1.704 3.963 4.501 1.00 0.00 C ATOM 456 CZ PHE A 336 -0.646 4.443 5.247 1.00 0.00 C ATOM 0 H PHE A 336 -4.470 6.590 1.715 1.00 0.00 H new ATOM 0 HA PHE A 336 -2.110 8.268 2.357 1.00 0.00 H new ATOM 0 HB2 PHE A 336 -2.182 5.600 0.902 1.00 0.00 H new ATOM 0 HB3 PHE A 336 -0.777 6.639 1.036 1.00 0.00 H new ATOM 0 HD1 PHE A 336 0.304 6.989 3.255 1.00 0.00 H new ATOM 0 HD2 PHE A 336 -2.870 4.196 2.730 1.00 0.00 H new ATOM 0 HE1 PHE A 336 0.904 5.908 5.378 1.00 0.00 H new ATOM 0 HE2 PHE A 336 -2.268 3.111 4.850 1.00 0.00 H new ATOM 0 HZ PHE A 336 -0.383 3.968 6.181 1.00 0.00 H new ATOM 466 N PRO A 337 -2.514 9.482 0.187 1.00 0.00 N ATOM 467 CA PRO A 337 -2.733 10.205 -1.068 1.00 0.00 C ATOM 468 C PRO A 337 -2.137 9.496 -2.271 1.00 0.00 C ATOM 469 O PRO A 337 -1.277 8.623 -2.136 1.00 0.00 O ATOM 470 CB PRO A 337 -2.040 11.545 -0.845 1.00 0.00 C ATOM 471 CG PRO A 337 -2.006 11.712 0.630 1.00 0.00 C ATOM 472 CD PRO A 337 -1.880 10.331 1.205 1.00 0.00 C ATOM 0 HA PRO A 337 -3.796 10.292 -1.293 1.00 0.00 H new ATOM 0 HB2 PRO A 337 -1.035 11.546 -1.267 1.00 0.00 H new ATOM 0 HB3 PRO A 337 -2.587 12.358 -1.323 1.00 0.00 H new ATOM 0 HG2 PRO A 337 -1.166 12.337 0.932 1.00 0.00 H new ATOM 0 HG3 PRO A 337 -2.912 12.201 0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 337 -0.838 10.056 1.366 1.00 0.00 H new ATOM 0 HD3 PRO A 337 -2.384 10.249 2.168 1.00 0.00 H new ATOM 480 N SER A 338 -2.603 9.887 -3.448 1.00 0.00 N ATOM 481 CA SER A 338 -2.132 9.303 -4.699 1.00 0.00 C ATOM 482 C SER A 338 -0.701 9.751 -5.031 1.00 0.00 C ATOM 483 O SER A 338 -0.106 9.264 -5.995 1.00 0.00 O ATOM 484 CB SER A 338 -3.081 9.677 -5.842 1.00 0.00 C ATOM 485 OG SER A 338 -4.425 9.752 -5.395 1.00 0.00 O ATOM 0 H SER A 338 -3.312 10.611 -3.565 1.00 0.00 H new ATOM 0 HA SER A 338 -2.120 8.220 -4.578 1.00 0.00 H new ATOM 0 HB2 SER A 338 -2.783 10.636 -6.266 1.00 0.00 H new ATOM 0 HB3 SER A 338 -3.002 8.938 -6.639 1.00 0.00 H new ATOM 0 HG SER A 338 -5.006 9.994 -6.146 1.00 0.00 H new ATOM 491 N ASP A 339 -0.150 10.679 -4.234 1.00 0.00 N ATOM 492 CA ASP A 339 1.208 11.182 -4.461 1.00 0.00 C ATOM 493 C ASP A 339 2.129 10.868 -3.278 1.00 0.00 C ATOM 494 O ASP A 339 3.309 10.565 -3.469 1.00 0.00 O ATOM 495 CB ASP A 339 1.184 12.693 -4.712 1.00 0.00 C ATOM 496 CG ASP A 339 0.139 13.098 -5.734 1.00 0.00 C ATOM 497 OD1 ASP A 339 -1.025 13.318 -5.338 1.00 0.00 O ATOM 498 OD2 ASP A 339 0.485 13.191 -6.931 1.00 0.00 O ATOM 0 H ASP A 339 -0.623 11.093 -3.431 1.00 0.00 H new ATOM 0 HA ASP A 339 1.602 10.676 -5.343 1.00 0.00 H new ATOM 0 HB2 ASP A 339 0.988 13.210 -3.773 1.00 0.00 H new ATOM 0 HB3 ASP A 339 2.167 13.016 -5.055 1.00 0.00 H new ATOM 503 N ALA A 340 1.581 10.946 -2.058 1.00 0.00 N ATOM 504 CA ALA A 340 2.345 10.672 -0.839 1.00 0.00 C ATOM 505 C ALA A 340 3.135 9.367 -0.956 1.00 0.00 C ATOM 506 O ALA A 340 2.725 8.445 -1.663 1.00 0.00 O ATOM 507 CB ALA A 340 1.414 10.623 0.367 1.00 0.00 C ATOM 0 H ALA A 340 0.607 11.198 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 340 3.061 11.483 -0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 340 1.994 10.419 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 340 0.905 11.581 0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 340 0.675 9.834 0.225 1.00 0.00 H new ATOM 513 N PRO A 341 4.293 9.280 -0.270 1.00 0.00 N ATOM 514 CA PRO A 341 5.154 8.087 -0.307 1.00 0.00 C ATOM 515 C PRO A 341 4.423 6.807 0.102 1.00 0.00 C ATOM 516 O PRO A 341 3.564 6.824 0.985 1.00 0.00 O ATOM 517 CB PRO A 341 6.262 8.409 0.701 1.00 0.00 C ATOM 518 CG PRO A 341 6.283 9.895 0.791 1.00 0.00 C ATOM 519 CD PRO A 341 4.863 10.341 0.584 1.00 0.00 C ATOM 0 HA PRO A 341 5.515 7.891 -1.317 1.00 0.00 H new ATOM 0 HB2 PRO A 341 6.055 7.958 1.672 1.00 0.00 H new ATOM 0 HB3 PRO A 341 7.224 8.020 0.367 1.00 0.00 H new ATOM 0 HG2 PRO A 341 6.658 10.222 1.761 1.00 0.00 H new ATOM 0 HG3 PRO A 341 6.941 10.323 0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 341 4.327 10.428 1.529 1.00 0.00 H new ATOM 0 HD3 PRO A 341 4.815 11.316 0.100 1.00 0.00 H new ATOM 527 N LEU A 342 4.786 5.698 -0.542 1.00 0.00 N ATOM 528 CA LEU A 342 4.185 4.397 -0.245 1.00 0.00 C ATOM 529 C LEU A 342 4.686 3.872 1.102 1.00 0.00 C ATOM 530 O LEU A 342 3.951 3.199 1.829 1.00 0.00 O ATOM 531 CB LEU A 342 4.510 3.398 -1.368 1.00 0.00 C ATOM 532 CG LEU A 342 4.016 1.956 -1.165 1.00 0.00 C ATOM 533 CD1 LEU A 342 5.029 1.149 -0.363 1.00 0.00 C ATOM 534 CD2 LEU A 342 2.648 1.928 -0.489 1.00 0.00 C ATOM 0 H LEU A 342 5.495 5.674 -1.275 1.00 0.00 H new ATOM 0 HA LEU A 342 3.103 4.515 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 342 4.084 3.778 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 342 5.592 3.373 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 342 3.910 1.498 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 342 4.661 0.132 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 342 5.979 1.124 -0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 342 5.173 1.613 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 342 2.327 0.894 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 342 2.714 2.412 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 342 1.925 2.458 -1.109 1.00 0.00 H new ATOM 546 N GLU A 343 5.941 4.193 1.430 1.00 0.00 N ATOM 547 CA GLU A 343 6.549 3.762 2.691 1.00 0.00 C ATOM 548 C GLU A 343 5.727 4.205 3.908 1.00 0.00 C ATOM 549 O GLU A 343 5.855 3.621 4.986 1.00 0.00 O ATOM 550 CB GLU A 343 7.977 4.301 2.806 1.00 0.00 C ATOM 551 CG GLU A 343 8.070 5.819 2.747 1.00 0.00 C ATOM 552 CD GLU A 343 9.444 6.330 3.135 1.00 0.00 C ATOM 553 OE1 GLU A 343 9.734 6.395 4.347 1.00 0.00 O ATOM 554 OE2 GLU A 343 10.231 6.661 2.223 1.00 0.00 O ATOM 0 H GLU A 343 6.556 4.751 0.838 1.00 0.00 H new ATOM 0 HA GLU A 343 6.570 2.672 2.682 1.00 0.00 H new ATOM 0 HB2 GLU A 343 8.410 3.957 3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 343 8.580 3.878 2.002 1.00 0.00 H new ATOM 0 HG2 GLU A 343 7.832 6.156 1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 343 7.323 6.252 3.412 1.00 0.00 H new ATOM 561 N GLU A 344 4.886 5.233 3.735 1.00 0.00 N ATOM 562 CA GLU A 344 4.048 5.736 4.828 1.00 0.00 C ATOM 563 C GLU A 344 3.233 4.608 5.461 1.00 0.00 C ATOM 564 O GLU A 344 3.004 4.603 6.671 1.00 0.00 O ATOM 565 CB GLU A 344 3.112 6.842 4.329 1.00 0.00 C ATOM 566 CG GLU A 344 3.835 8.007 3.670 1.00 0.00 C ATOM 567 CD GLU A 344 4.696 8.788 4.644 1.00 0.00 C ATOM 568 OE1 GLU A 344 5.807 8.316 4.965 1.00 0.00 O ATOM 569 OE2 GLU A 344 4.259 9.872 5.085 1.00 0.00 O ATOM 0 H GLU A 344 4.769 5.730 2.852 1.00 0.00 H new ATOM 0 HA GLU A 344 4.710 6.151 5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 344 2.407 6.414 3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 344 2.528 7.217 5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 344 4.460 7.630 2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 344 3.102 8.677 3.221 1.00 0.00 H new ATOM 576 N ALA A 345 2.811 3.643 4.642 1.00 0.00 N ATOM 577 CA ALA A 345 2.043 2.502 5.136 1.00 0.00 C ATOM 578 C ALA A 345 2.950 1.547 5.912 1.00 0.00 C ATOM 579 O ALA A 345 2.550 0.989 6.936 1.00 0.00 O ATOM 580 CB ALA A 345 1.363 1.774 3.983 1.00 0.00 C ATOM 0 H ALA A 345 2.988 3.630 3.638 1.00 0.00 H new ATOM 0 HA ALA A 345 1.270 2.872 5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 345 0.796 0.928 4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 345 0.688 2.458 3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 345 2.118 1.415 3.284 1.00 0.00 H new ATOM 586 N ARG A 346 4.178 1.373 5.421 1.00 0.00 N ATOM 587 CA ARG A 346 5.153 0.495 6.064 1.00 0.00 C ATOM 588 C ARG A 346 5.541 1.024 7.446 1.00 0.00 C ATOM 589 O ARG A 346 5.422 0.310 8.445 1.00 0.00 O ATOM 590 CB ARG A 346 6.404 0.357 5.189 1.00 0.00 C ATOM 591 CG ARG A 346 7.430 -0.621 5.738 1.00 0.00 C ATOM 592 CD ARG A 346 8.835 -0.264 5.282 1.00 0.00 C ATOM 593 NE ARG A 346 9.746 -1.408 5.340 1.00 0.00 N ATOM 594 CZ ARG A 346 10.896 -1.481 4.665 1.00 0.00 C ATOM 595 NH1 ARG A 346 11.280 -0.481 3.874 1.00 0.00 N ATOM 596 NH2 ARG A 346 11.665 -2.557 4.781 1.00 0.00 N ATOM 0 H ARG A 346 4.521 1.831 4.577 1.00 0.00 H new ATOM 0 HA ARG A 346 4.692 -0.485 6.187 1.00 0.00 H new ATOM 0 HB2 ARG A 346 6.105 0.034 4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 346 6.870 1.336 5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 346 7.388 -0.621 6.827 1.00 0.00 H new ATOM 0 HG3 ARG A 346 7.185 -1.631 5.409 1.00 0.00 H new ATOM 0 HD2 ARG A 346 8.798 0.116 4.261 1.00 0.00 H new ATOM 0 HD3 ARG A 346 9.224 0.539 5.907 1.00 0.00 H new ATOM 0 HE ARG A 346 9.487 -2.197 5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 346 10.694 0.349 3.780 1.00 0.00 H new ATOM 0 HH12 ARG A 346 12.160 -0.545 3.362 1.00 0.00 H new ATOM 0 HH21 ARG A 346 11.377 -3.327 5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 346 12.544 -2.614 4.266 1.00 0.00 H new ATOM 610 N GLN A 347 6.007 2.276 7.495 1.00 0.00 N ATOM 611 CA GLN A 347 6.416 2.902 8.758 1.00 0.00 C ATOM 612 C GLN A 347 5.294 2.852 9.800 1.00 0.00 C ATOM 613 O GLN A 347 5.558 2.724 10.997 1.00 0.00 O ATOM 614 CB GLN A 347 6.863 4.354 8.534 1.00 0.00 C ATOM 615 CG GLN A 347 5.886 5.190 7.720 1.00 0.00 C ATOM 616 CD GLN A 347 5.460 6.456 8.441 1.00 0.00 C ATOM 617 OE1 GLN A 347 6.085 7.506 8.295 1.00 0.00 O ATOM 618 NE2 GLN A 347 4.392 6.364 9.225 1.00 0.00 N ATOM 0 H GLN A 347 6.111 2.876 6.676 1.00 0.00 H new ATOM 0 HA GLN A 347 7.262 2.331 9.141 1.00 0.00 H new ATOM 0 HB2 GLN A 347 7.011 4.830 9.503 1.00 0.00 H new ATOM 0 HB3 GLN A 347 7.829 4.351 8.029 1.00 0.00 H new ATOM 0 HG2 GLN A 347 6.346 5.456 6.768 1.00 0.00 H new ATOM 0 HG3 GLN A 347 5.004 4.592 7.492 1.00 0.00 H new ATOM 0 HE21 GLN A 347 3.903 5.474 9.318 1.00 0.00 H new ATOM 0 HE22 GLN A 347 4.061 7.183 9.734 1.00 0.00 H new ATOM 627 N PHE A 348 4.042 2.946 9.337 1.00 0.00 N ATOM 628 CA PHE A 348 2.885 2.901 10.230 1.00 0.00 C ATOM 629 C PHE A 348 2.871 1.603 11.038 1.00 0.00 C ATOM 630 O PHE A 348 2.790 1.632 12.268 1.00 0.00 O ATOM 631 CB PHE A 348 1.582 3.034 9.431 1.00 0.00 C ATOM 632 CG PHE A 348 0.346 3.043 10.293 1.00 0.00 C ATOM 633 CD1 PHE A 348 0.000 4.171 11.022 1.00 0.00 C ATOM 634 CD2 PHE A 348 -0.466 1.921 10.378 1.00 0.00 C ATOM 635 CE1 PHE A 348 -1.130 4.178 11.819 1.00 0.00 C ATOM 636 CE2 PHE A 348 -1.597 1.925 11.172 1.00 0.00 C ATOM 637 CZ PHE A 348 -1.930 3.055 11.894 1.00 0.00 C ATOM 0 H PHE A 348 3.807 3.053 8.350 1.00 0.00 H new ATOM 0 HA PHE A 348 2.962 3.740 10.922 1.00 0.00 H new ATOM 0 HB2 PHE A 348 1.615 3.954 8.848 1.00 0.00 H new ATOM 0 HB3 PHE A 348 1.514 2.209 8.722 1.00 0.00 H new ATOM 0 HD1 PHE A 348 0.620 5.054 10.967 1.00 0.00 H new ATOM 0 HD2 PHE A 348 -0.211 1.034 9.817 1.00 0.00 H new ATOM 0 HE1 PHE A 348 -1.387 5.062 12.383 1.00 0.00 H new ATOM 0 HE2 PHE A 348 -2.221 1.045 11.228 1.00 0.00 H new ATOM 0 HZ PHE A 348 -2.813 3.060 12.515 1.00 0.00 H new ATOM 647 N ALA A 349 2.956 0.469 10.340 1.00 0.00 N ATOM 648 CA ALA A 349 2.958 -0.841 10.992 1.00 0.00 C ATOM 649 C ALA A 349 4.145 -0.987 11.941 1.00 0.00 C ATOM 650 O ALA A 349 3.989 -1.464 13.067 1.00 0.00 O ATOM 651 CB ALA A 349 2.977 -1.952 9.955 1.00 0.00 C ATOM 0 H ALA A 349 3.024 0.432 9.323 1.00 0.00 H new ATOM 0 HA ALA A 349 2.043 -0.921 11.579 1.00 0.00 H new ATOM 0 HB1 ALA A 349 2.978 -2.919 10.458 1.00 0.00 H new ATOM 0 HB2 ALA A 349 2.093 -1.874 9.321 1.00 0.00 H new ATOM 0 HB3 ALA A 349 3.873 -1.861 9.341 1.00 0.00 H new ATOM 657 N ALA A 350 5.327 -0.566 11.483 1.00 0.00 N ATOM 658 CA ALA A 350 6.540 -0.642 12.298 1.00 0.00 C ATOM 659 C ALA A 350 6.352 0.085 13.627 1.00 0.00 C ATOM 660 O ALA A 350 6.856 -0.357 14.660 1.00 0.00 O ATOM 661 CB ALA A 350 7.732 -0.067 11.546 1.00 0.00 C ATOM 0 H ALA A 350 5.469 -0.170 10.554 1.00 0.00 H new ATOM 0 HA ALA A 350 6.736 -1.694 12.507 1.00 0.00 H new ATOM 0 HB1 ALA A 350 8.623 -0.134 12.171 1.00 0.00 H new ATOM 0 HB2 ALA A 350 7.890 -0.632 10.627 1.00 0.00 H new ATOM 0 HB3 ALA A 350 7.538 0.977 11.301 1.00 0.00 H new ATOM 667 N GLN A 351 5.612 1.196 13.594 1.00 0.00 N ATOM 668 CA GLN A 351 5.344 1.977 14.798 1.00 0.00 C ATOM 669 C GLN A 351 4.327 1.267 15.696 1.00 0.00 C ATOM 670 O GLN A 351 4.408 1.357 16.921 1.00 0.00 O ATOM 671 CB GLN A 351 4.826 3.370 14.427 1.00 0.00 C ATOM 672 CG GLN A 351 5.827 4.482 14.700 1.00 0.00 C ATOM 673 CD GLN A 351 5.166 5.815 15.007 1.00 0.00 C ATOM 674 OE1 GLN A 351 3.985 6.021 14.720 1.00 0.00 O ATOM 675 NE2 GLN A 351 5.930 6.732 15.591 1.00 0.00 N ATOM 0 H GLN A 351 5.189 1.573 12.746 1.00 0.00 H new ATOM 0 HA GLN A 351 6.280 2.079 15.347 1.00 0.00 H new ATOM 0 HB2 GLN A 351 4.562 3.381 13.369 1.00 0.00 H new ATOM 0 HB3 GLN A 351 3.912 3.570 14.986 1.00 0.00 H new ATOM 0 HG2 GLN A 351 6.460 4.195 15.540 1.00 0.00 H new ATOM 0 HG3 GLN A 351 6.479 4.597 13.834 1.00 0.00 H new ATOM 0 HE21 GLN A 351 6.903 6.520 15.811 1.00 0.00 H new ATOM 0 HE22 GLN A 351 5.543 7.648 15.819 1.00 0.00 H new ATOM 684 N THR A 352 3.368 0.569 15.082 1.00 0.00 N ATOM 685 CA THR A 352 2.337 -0.145 15.836 1.00 0.00 C ATOM 686 C THR A 352 2.924 -1.330 16.609 1.00 0.00 C ATOM 687 O THR A 352 2.820 -1.388 17.835 1.00 0.00 O ATOM 688 CB THR A 352 1.219 -0.635 14.903 1.00 0.00 C ATOM 689 OG1 THR A 352 0.915 0.332 13.909 1.00 0.00 O ATOM 690 CG2 THR A 352 -0.069 -0.960 15.634 1.00 0.00 C ATOM 0 H THR A 352 3.285 0.484 14.069 1.00 0.00 H new ATOM 0 HA THR A 352 1.918 0.559 16.555 1.00 0.00 H new ATOM 0 HB THR A 352 1.609 -1.547 14.451 1.00 0.00 H new ATOM 0 HG1 THR A 352 0.202 -0.008 13.329 1.00 0.00 H new ATOM 0 HG21 THR A 352 -0.818 -1.300 14.918 1.00 0.00 H new ATOM 0 HG22 THR A 352 0.117 -1.746 16.366 1.00 0.00 H new ATOM 0 HG23 THR A 352 -0.433 -0.068 16.144 1.00 0.00 H new ATOM 698 N VAL A 353 3.533 -2.277 15.889 1.00 0.00 N ATOM 699 CA VAL A 353 4.122 -3.463 16.521 1.00 0.00 C ATOM 700 C VAL A 353 5.419 -3.135 17.262 1.00 0.00 C ATOM 701 O VAL A 353 5.681 -3.680 18.334 1.00 0.00 O ATOM 702 CB VAL A 353 4.394 -4.593 15.499 1.00 0.00 C ATOM 703 CG1 VAL A 353 3.093 -5.068 14.869 1.00 0.00 C ATOM 704 CG2 VAL A 353 5.384 -4.147 14.431 1.00 0.00 C ATOM 0 H VAL A 353 3.631 -2.247 14.874 1.00 0.00 H new ATOM 0 HA VAL A 353 3.382 -3.811 17.242 1.00 0.00 H new ATOM 0 HB VAL A 353 4.842 -5.430 16.035 1.00 0.00 H new ATOM 0 HG11 VAL A 353 3.304 -5.862 14.153 1.00 0.00 H new ATOM 0 HG12 VAL A 353 2.429 -5.447 15.646 1.00 0.00 H new ATOM 0 HG13 VAL A 353 2.612 -4.235 14.355 1.00 0.00 H new ATOM 0 HG21 VAL A 353 5.554 -4.963 13.729 1.00 0.00 H new ATOM 0 HG22 VAL A 353 4.980 -3.287 13.897 1.00 0.00 H new ATOM 0 HG23 VAL A 353 6.328 -3.871 14.902 1.00 0.00 H new ATOM 714 N GLY A 354 6.226 -2.245 16.684 1.00 0.00 N ATOM 715 CA GLY A 354 7.483 -1.865 17.305 1.00 0.00 C ATOM 716 C GLY A 354 8.593 -2.858 17.026 1.00 0.00 C ATOM 717 O GLY A 354 9.192 -3.408 17.951 1.00 0.00 O ATOM 0 H GLY A 354 6.030 -1.781 15.797 1.00 0.00 H new ATOM 0 HA2 GLY A 354 7.781 -0.881 16.942 1.00 0.00 H new ATOM 0 HA3 GLY A 354 7.340 -1.778 18.382 1.00 0.00 H new ATOM 721 N ASN A 355 8.865 -3.081 15.742 1.00 0.00 N ATOM 722 CA ASN A 355 9.911 -4.008 15.311 1.00 0.00 C ATOM 723 C ASN A 355 9.644 -5.427 15.813 1.00 0.00 C ATOM 724 O ASN A 355 10.196 -5.854 16.830 1.00 0.00 O ATOM 725 CB ASN A 355 11.286 -3.527 15.790 1.00 0.00 C ATOM 726 CG ASN A 355 11.866 -2.434 14.908 1.00 0.00 C ATOM 727 OD1 ASN A 355 11.232 -1.989 13.949 1.00 0.00 O ATOM 728 ND2 ASN A 355 13.078 -1.994 15.227 1.00 0.00 N ATOM 0 H ASN A 355 8.370 -2.627 14.974 1.00 0.00 H new ATOM 0 HA ASN A 355 9.903 -4.030 14.221 1.00 0.00 H new ATOM 0 HB2 ASN A 355 11.201 -3.157 16.812 1.00 0.00 H new ATOM 0 HB3 ASN A 355 11.974 -4.372 15.814 1.00 0.00 H new ATOM 0 HD21 ASN A 355 13.517 -1.261 14.670 1.00 0.00 H new ATOM 0 HD22 ASN A 355 13.569 -2.389 16.029 1.00 0.00 H new ATOM 735 N THR A 356 8.797 -6.154 15.087 1.00 0.00 N ATOM 736 CA THR A 356 8.455 -7.529 15.449 1.00 0.00 C ATOM 737 C THR A 356 8.667 -8.480 14.270 1.00 0.00 C ATOM 738 O THR A 356 9.376 -9.480 14.392 1.00 0.00 O ATOM 739 CB THR A 356 7.003 -7.613 15.932 1.00 0.00 C ATOM 740 OG1 THR A 356 6.760 -6.660 16.954 1.00 0.00 O ATOM 741 CG2 THR A 356 6.634 -8.979 16.476 1.00 0.00 C ATOM 0 H THR A 356 8.334 -5.814 14.244 1.00 0.00 H new ATOM 0 HA THR A 356 9.118 -7.833 16.259 1.00 0.00 H new ATOM 0 HB THR A 356 6.390 -7.412 15.053 1.00 0.00 H new ATOM 0 HG1 THR A 356 5.884 -6.831 17.359 1.00 0.00 H new ATOM 0 HG21 THR A 356 5.594 -8.972 16.801 1.00 0.00 H new ATOM 0 HG22 THR A 356 6.766 -9.729 15.696 1.00 0.00 H new ATOM 0 HG23 THR A 356 7.277 -9.219 17.323 1.00 0.00 H new ATOM 749 N TYR A 357 8.044 -8.165 13.134 1.00 0.00 N ATOM 750 CA TYR A 357 8.158 -8.994 11.933 1.00 0.00 C ATOM 751 C TYR A 357 9.608 -9.071 11.453 1.00 0.00 C ATOM 752 O TYR A 357 10.187 -10.155 11.393 1.00 0.00 O ATOM 753 CB TYR A 357 7.261 -8.447 10.814 1.00 0.00 C ATOM 754 CG TYR A 357 5.839 -8.157 11.254 1.00 0.00 C ATOM 755 CD1 TYR A 357 4.976 -9.187 11.615 1.00 0.00 C ATOM 756 CD2 TYR A 357 5.359 -6.853 11.310 1.00 0.00 C ATOM 757 CE1 TYR A 357 3.679 -8.926 12.015 1.00 0.00 C ATOM 758 CE2 TYR A 357 4.064 -6.585 11.711 1.00 0.00 C ATOM 759 CZ TYR A 357 3.228 -7.624 12.060 1.00 0.00 C ATOM 760 OH TYR A 357 1.936 -7.364 12.457 1.00 0.00 O ATOM 0 H TYR A 357 7.454 -7.341 13.020 1.00 0.00 H new ATOM 0 HA TYR A 357 7.828 -10.001 12.190 1.00 0.00 H new ATOM 0 HB2 TYR A 357 7.704 -7.531 10.422 1.00 0.00 H new ATOM 0 HB3 TYR A 357 7.238 -9.166 9.995 1.00 0.00 H new ATOM 0 HD1 TYR A 357 5.326 -10.208 11.582 1.00 0.00 H new ATOM 0 HD2 TYR A 357 6.009 -6.036 11.035 1.00 0.00 H new ATOM 0 HE1 TYR A 357 3.022 -9.738 12.291 1.00 0.00 H new ATOM 0 HE2 TYR A 357 3.708 -5.566 11.751 1.00 0.00 H new ATOM 0 HH TYR A 357 1.775 -6.398 12.435 1.00 0.00 H new ATOM 770 N GLY A 358 10.184 -7.914 11.119 1.00 0.00 N ATOM 771 CA GLY A 358 11.564 -7.866 10.653 1.00 0.00 C ATOM 772 C GLY A 358 11.738 -8.439 9.261 1.00 0.00 C ATOM 773 O GLY A 358 11.181 -9.492 8.941 1.00 0.00 O ATOM 0 H GLY A 358 9.718 -7.008 11.163 1.00 0.00 H new ATOM 0 HA2 GLY A 358 11.909 -6.832 10.660 1.00 0.00 H new ATOM 0 HA3 GLY A 358 12.196 -8.417 11.349 1.00 0.00 H new ATOM 777 N ASN A 359 12.516 -7.741 8.433 1.00 0.00 N ATOM 778 CA ASN A 359 12.777 -8.168 7.056 1.00 0.00 C ATOM 779 C ASN A 359 11.477 -8.587 6.351 1.00 0.00 C ATOM 780 O ASN A 359 11.467 -9.510 5.536 1.00 0.00 O ATOM 781 CB ASN A 359 13.799 -9.314 7.053 1.00 0.00 C ATOM 782 CG ASN A 359 14.262 -9.702 5.662 1.00 0.00 C ATOM 783 OD1 ASN A 359 14.236 -10.877 5.295 1.00 0.00 O ATOM 784 ND2 ASN A 359 14.692 -8.723 4.880 1.00 0.00 N ATOM 0 H ASN A 359 12.980 -6.871 8.694 1.00 0.00 H new ATOM 0 HA ASN A 359 13.192 -7.326 6.501 1.00 0.00 H new ATOM 0 HB2 ASN A 359 14.664 -9.021 7.648 1.00 0.00 H new ATOM 0 HB3 ASN A 359 13.359 -10.185 7.538 1.00 0.00 H new ATOM 0 HD21 ASN A 359 15.018 -8.930 3.936 1.00 0.00 H new ATOM 0 HD22 ASN A 359 14.697 -7.762 5.222 1.00 0.00 H new ATOM 791 N PHE A 360 10.381 -7.891 6.673 1.00 0.00 N ATOM 792 CA PHE A 360 9.083 -8.182 6.079 1.00 0.00 C ATOM 793 C PHE A 360 8.958 -7.527 4.711 1.00 0.00 C ATOM 794 O PHE A 360 9.545 -6.473 4.458 1.00 0.00 O ATOM 795 CB PHE A 360 7.950 -7.706 6.995 1.00 0.00 C ATOM 796 CG PHE A 360 7.914 -6.215 7.217 1.00 0.00 C ATOM 797 CD1 PHE A 360 7.194 -5.392 6.364 1.00 0.00 C ATOM 798 CD2 PHE A 360 8.597 -5.640 8.277 1.00 0.00 C ATOM 799 CE1 PHE A 360 7.157 -4.027 6.565 1.00 0.00 C ATOM 800 CE2 PHE A 360 8.562 -4.274 8.482 1.00 0.00 C ATOM 801 CZ PHE A 360 7.841 -3.467 7.626 1.00 0.00 C ATOM 0 H PHE A 360 10.373 -7.122 7.343 1.00 0.00 H new ATOM 0 HA PHE A 360 9.003 -9.262 5.957 1.00 0.00 H new ATOM 0 HB2 PHE A 360 6.998 -8.021 6.568 1.00 0.00 H new ATOM 0 HB3 PHE A 360 8.047 -8.203 7.960 1.00 0.00 H new ATOM 0 HD1 PHE A 360 6.656 -5.824 5.533 1.00 0.00 H new ATOM 0 HD2 PHE A 360 9.163 -6.267 8.950 1.00 0.00 H new ATOM 0 HE1 PHE A 360 6.593 -3.397 5.893 1.00 0.00 H new ATOM 0 HE2 PHE A 360 9.099 -3.838 9.312 1.00 0.00 H new ATOM 0 HZ PHE A 360 7.812 -2.399 7.785 1.00 0.00 H new ATOM 811 N SER A 361 8.193 -8.160 3.833 1.00 0.00 N ATOM 812 CA SER A 361 7.991 -7.645 2.490 1.00 0.00 C ATOM 813 C SER A 361 6.517 -7.330 2.249 1.00 0.00 C ATOM 814 O SER A 361 5.643 -8.128 2.587 1.00 0.00 O ATOM 815 CB SER A 361 8.497 -8.658 1.459 1.00 0.00 C ATOM 816 OG SER A 361 8.256 -8.212 0.134 1.00 0.00 O ATOM 0 H SER A 361 7.702 -9.032 4.029 1.00 0.00 H new ATOM 0 HA SER A 361 8.558 -6.720 2.383 1.00 0.00 H new ATOM 0 HB2 SER A 361 9.565 -8.821 1.601 1.00 0.00 H new ATOM 0 HB3 SER A 361 8.004 -9.617 1.617 1.00 0.00 H new ATOM 0 HG SER A 361 8.591 -8.878 -0.502 1.00 0.00 H new ATOM 822 N LEU A 362 6.251 -6.164 1.664 1.00 0.00 N ATOM 823 CA LEU A 362 4.881 -5.747 1.374 1.00 0.00 C ATOM 824 C LEU A 362 4.597 -5.845 -0.122 1.00 0.00 C ATOM 825 O LEU A 362 5.469 -5.568 -0.948 1.00 0.00 O ATOM 826 CB LEU A 362 4.634 -4.314 1.860 1.00 0.00 C ATOM 827 CG LEU A 362 5.224 -3.969 3.233 1.00 0.00 C ATOM 828 CD1 LEU A 362 5.247 -2.461 3.442 1.00 0.00 C ATOM 829 CD2 LEU A 362 4.435 -4.651 4.340 1.00 0.00 C ATOM 0 H LEU A 362 6.965 -5.492 1.382 1.00 0.00 H new ATOM 0 HA LEU A 362 4.205 -6.417 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 362 5.046 -3.624 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 362 3.558 -4.141 1.893 1.00 0.00 H new ATOM 0 HG LEU A 362 6.250 -4.335 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 362 5.669 -2.236 4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 362 5.858 -1.996 2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 362 4.231 -2.070 3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 362 4.868 -4.395 5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 362 3.398 -4.317 4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 362 4.472 -5.731 4.201 1.00 0.00 H new ATOM 841 N ALA A 363 3.374 -6.244 -0.463 1.00 0.00 N ATOM 842 CA ALA A 363 2.969 -6.381 -1.860 1.00 0.00 C ATOM 843 C ALA A 363 1.453 -6.276 -2.006 1.00 0.00 C ATOM 844 O ALA A 363 0.708 -6.669 -1.107 1.00 0.00 O ATOM 845 CB ALA A 363 3.465 -7.704 -2.426 1.00 0.00 C ATOM 0 H ALA A 363 2.645 -6.479 0.210 1.00 0.00 H new ATOM 0 HA ALA A 363 3.419 -5.565 -2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 363 3.156 -7.793 -3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 363 4.553 -7.741 -2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 363 3.042 -8.527 -1.851 1.00 0.00 H new ATOM 851 N THR A 364 0.999 -5.753 -3.145 1.00 0.00 N ATOM 852 CA THR A 364 -0.434 -5.610 -3.401 1.00 0.00 C ATOM 853 C THR A 364 -1.078 -6.979 -3.635 1.00 0.00 C ATOM 854 O THR A 364 -0.387 -7.961 -3.916 1.00 0.00 O ATOM 855 CB THR A 364 -0.680 -4.687 -4.603 1.00 0.00 C ATOM 856 OG1 THR A 364 -2.056 -4.363 -4.715 1.00 0.00 O ATOM 857 CG2 THR A 364 -0.241 -5.279 -5.926 1.00 0.00 C ATOM 0 H THR A 364 1.599 -5.423 -3.901 1.00 0.00 H new ATOM 0 HA THR A 364 -0.895 -5.159 -2.522 1.00 0.00 H new ATOM 0 HB THR A 364 -0.076 -3.801 -4.406 1.00 0.00 H new ATOM 0 HG1 THR A 364 -2.191 -3.773 -5.486 1.00 0.00 H new ATOM 0 HG21 THR A 364 -0.446 -4.570 -6.728 1.00 0.00 H new ATOM 0 HG22 THR A 364 0.828 -5.490 -5.893 1.00 0.00 H new ATOM 0 HG23 THR A 364 -0.788 -6.204 -6.110 1.00 0.00 H new ATOM 865 N MET A 365 -2.404 -7.036 -3.516 1.00 0.00 N ATOM 866 CA MET A 365 -3.139 -8.284 -3.714 1.00 0.00 C ATOM 867 C MET A 365 -3.054 -8.742 -5.172 1.00 0.00 C ATOM 868 O MET A 365 -2.476 -9.790 -5.466 1.00 0.00 O ATOM 869 CB MET A 365 -4.604 -8.115 -3.287 1.00 0.00 C ATOM 870 CG MET A 365 -5.286 -9.420 -2.904 1.00 0.00 C ATOM 871 SD MET A 365 -7.084 -9.322 -3.017 1.00 0.00 S ATOM 872 CE MET A 365 -7.576 -10.512 -1.771 1.00 0.00 C ATOM 0 H MET A 365 -2.990 -6.234 -3.284 1.00 0.00 H new ATOM 0 HA MET A 365 -2.681 -9.052 -3.091 1.00 0.00 H new ATOM 0 HB2 MET A 365 -4.649 -7.430 -2.440 1.00 0.00 H new ATOM 0 HB3 MET A 365 -5.159 -7.651 -4.102 1.00 0.00 H new ATOM 0 HG2 MET A 365 -4.928 -10.218 -3.555 1.00 0.00 H new ATOM 0 HG3 MET A 365 -5.004 -9.688 -1.886 1.00 0.00 H new ATOM 0 HE1 MET A 365 -8.334 -11.178 -2.183 1.00 0.00 H new ATOM 0 HE2 MET A 365 -6.709 -11.096 -1.463 1.00 0.00 H new ATOM 0 HE3 MET A 365 -7.985 -9.987 -0.908 1.00 0.00 H new ATOM 882 N PHE A 366 -3.625 -7.947 -6.079 1.00 0.00 N ATOM 883 CA PHE A 366 -3.612 -8.264 -7.506 1.00 0.00 C ATOM 884 C PHE A 366 -3.621 -6.984 -8.344 1.00 0.00 C ATOM 885 O PHE A 366 -4.406 -6.071 -8.077 1.00 0.00 O ATOM 886 CB PHE A 366 -4.824 -9.127 -7.869 1.00 0.00 C ATOM 887 CG PHE A 366 -4.671 -10.576 -7.496 1.00 0.00 C ATOM 888 CD1 PHE A 366 -4.034 -11.462 -8.348 1.00 0.00 C ATOM 889 CD2 PHE A 366 -5.167 -11.050 -6.291 1.00 0.00 C ATOM 890 CE1 PHE A 366 -3.891 -12.793 -8.008 1.00 0.00 C ATOM 891 CE2 PHE A 366 -5.027 -12.380 -5.944 1.00 0.00 C ATOM 892 CZ PHE A 366 -4.388 -13.254 -6.803 1.00 0.00 C ATOM 0 H PHE A 366 -4.103 -7.076 -5.848 1.00 0.00 H new ATOM 0 HA PHE A 366 -2.699 -8.819 -7.723 1.00 0.00 H new ATOM 0 HB2 PHE A 366 -5.707 -8.725 -7.372 1.00 0.00 H new ATOM 0 HB3 PHE A 366 -5.002 -9.054 -8.942 1.00 0.00 H new ATOM 0 HD1 PHE A 366 -3.644 -11.108 -9.291 1.00 0.00 H new ATOM 0 HD2 PHE A 366 -5.668 -10.372 -5.616 1.00 0.00 H new ATOM 0 HE1 PHE A 366 -3.392 -13.473 -8.683 1.00 0.00 H new ATOM 0 HE2 PHE A 366 -5.417 -12.736 -5.002 1.00 0.00 H new ATOM 0 HZ PHE A 366 -4.277 -14.294 -6.534 1.00 0.00 H new ATOM 902 N PRO A 367 -2.748 -6.892 -9.372 1.00 0.00 N ATOM 903 CA PRO A 367 -1.791 -7.949 -9.731 1.00 0.00 C ATOM 904 C PRO A 367 -0.628 -8.036 -8.742 1.00 0.00 C ATOM 905 O PRO A 367 -0.140 -7.015 -8.258 1.00 0.00 O ATOM 906 CB PRO A 367 -1.278 -7.526 -11.121 1.00 0.00 C ATOM 907 CG PRO A 367 -2.133 -6.374 -11.538 1.00 0.00 C ATOM 908 CD PRO A 367 -2.625 -5.740 -10.270 1.00 0.00 C ATOM 0 HA PRO A 367 -2.257 -8.934 -9.719 1.00 0.00 H new ATOM 0 HB2 PRO A 367 -0.228 -7.238 -11.079 1.00 0.00 H new ATOM 0 HB3 PRO A 367 -1.355 -8.348 -11.833 1.00 0.00 H new ATOM 0 HG2 PRO A 367 -1.563 -5.661 -12.134 1.00 0.00 H new ATOM 0 HG3 PRO A 367 -2.967 -6.710 -12.154 1.00 0.00 H new ATOM 0 HD2 PRO A 367 -1.923 -4.999 -9.887 1.00 0.00 H new ATOM 0 HD3 PRO A 367 -3.579 -5.232 -10.413 1.00 0.00 H new ATOM 916 N ARG A 368 -0.192 -9.260 -8.444 1.00 0.00 N ATOM 917 CA ARG A 368 0.908 -9.475 -7.505 1.00 0.00 C ATOM 918 C ARG A 368 2.266 -9.318 -8.192 1.00 0.00 C ATOM 919 O ARG A 368 2.719 -10.211 -8.910 1.00 0.00 O ATOM 920 CB ARG A 368 0.798 -10.865 -6.865 1.00 0.00 C ATOM 921 CG ARG A 368 1.239 -10.901 -5.409 1.00 0.00 C ATOM 922 CD ARG A 368 0.111 -11.359 -4.494 1.00 0.00 C ATOM 923 NE ARG A 368 0.341 -12.705 -3.965 1.00 0.00 N ATOM 924 CZ ARG A 368 -0.305 -13.218 -2.914 1.00 0.00 C ATOM 925 NH1 ARG A 368 -1.233 -12.507 -2.277 1.00 0.00 N ATOM 926 NH2 ARG A 368 -0.024 -14.448 -2.499 1.00 0.00 N ATOM 0 H ARG A 368 -0.583 -10.116 -8.838 1.00 0.00 H new ATOM 0 HA ARG A 368 0.834 -8.716 -6.726 1.00 0.00 H new ATOM 0 HB2 ARG A 368 -0.235 -11.206 -6.932 1.00 0.00 H new ATOM 0 HB3 ARG A 368 1.403 -11.568 -7.437 1.00 0.00 H new ATOM 0 HG2 ARG A 368 2.091 -11.573 -5.302 1.00 0.00 H new ATOM 0 HG3 ARG A 368 1.575 -9.910 -5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 368 0.009 -10.657 -3.666 1.00 0.00 H new ATOM 0 HD3 ARG A 368 -0.830 -11.342 -5.044 1.00 0.00 H new ATOM 0 HE ARG A 368 1.038 -13.288 -4.428 1.00 0.00 H new ATOM 0 HH11 ARG A 368 -1.456 -11.562 -2.590 1.00 0.00 H new ATOM 0 HH12 ARG A 368 -1.721 -12.907 -1.476 1.00 0.00 H new ATOM 0 HH21 ARG A 368 0.684 -15.000 -2.983 1.00 0.00 H new ATOM 0 HH22 ARG A 368 -0.517 -14.841 -1.697 1.00 0.00 H new ATOM 940 N ARG A 369 2.911 -8.172 -7.960 1.00 0.00 N ATOM 941 CA ARG A 369 4.222 -7.887 -8.549 1.00 0.00 C ATOM 942 C ARG A 369 5.280 -7.565 -7.479 1.00 0.00 C ATOM 943 O ARG A 369 6.440 -7.326 -7.814 1.00 0.00 O ATOM 944 CB ARG A 369 4.113 -6.721 -9.540 1.00 0.00 C ATOM 945 CG ARG A 369 3.755 -5.390 -8.891 1.00 0.00 C ATOM 946 CD ARG A 369 3.570 -4.289 -9.927 1.00 0.00 C ATOM 947 NE ARG A 369 2.281 -4.384 -10.614 1.00 0.00 N ATOM 948 CZ ARG A 369 1.789 -3.437 -11.418 1.00 0.00 C ATOM 949 NH1 ARG A 369 2.473 -2.317 -11.641 1.00 0.00 N ATOM 950 NH2 ARG A 369 0.609 -3.609 -12.003 1.00 0.00 N ATOM 0 H ARG A 369 2.546 -7.426 -7.368 1.00 0.00 H new ATOM 0 HA ARG A 369 4.545 -8.787 -9.073 1.00 0.00 H new ATOM 0 HB2 ARG A 369 5.062 -6.614 -10.066 1.00 0.00 H new ATOM 0 HB3 ARG A 369 3.359 -6.963 -10.289 1.00 0.00 H new ATOM 0 HG2 ARG A 369 2.838 -5.502 -8.312 1.00 0.00 H new ATOM 0 HG3 ARG A 369 4.540 -5.103 -8.192 1.00 0.00 H new ATOM 0 HD2 ARG A 369 3.649 -3.317 -9.439 1.00 0.00 H new ATOM 0 HD3 ARG A 369 4.375 -4.344 -10.660 1.00 0.00 H new ATOM 0 HE ARG A 369 1.723 -5.226 -10.470 1.00 0.00 H new ATOM 0 HH11 ARG A 369 3.380 -2.176 -11.197 1.00 0.00 H new ATOM 0 HH12 ARG A 369 2.090 -1.599 -12.256 1.00 0.00 H new ATOM 0 HH21 ARG A 369 0.078 -4.464 -11.839 1.00 0.00 H new ATOM 0 HH22 ARG A 369 0.234 -2.886 -12.617 1.00 0.00 H new ATOM 964 N GLU A 370 4.877 -7.556 -6.198 1.00 0.00 N ATOM 965 CA GLU A 370 5.793 -7.258 -5.090 1.00 0.00 C ATOM 966 C GLU A 370 6.226 -5.789 -5.109 1.00 0.00 C ATOM 967 O GLU A 370 6.089 -5.103 -6.124 1.00 0.00 O ATOM 968 CB GLU A 370 7.021 -8.177 -5.134 1.00 0.00 C ATOM 969 CG GLU A 370 7.296 -8.891 -3.817 1.00 0.00 C ATOM 970 CD GLU A 370 8.552 -9.745 -3.850 1.00 0.00 C ATOM 971 OE1 GLU A 370 8.826 -10.369 -4.897 1.00 0.00 O ATOM 972 OE2 GLU A 370 9.258 -9.795 -2.821 1.00 0.00 O ATOM 0 H GLU A 370 3.920 -7.753 -5.906 1.00 0.00 H new ATOM 0 HA GLU A 370 5.256 -7.442 -4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 370 6.880 -8.921 -5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 370 7.896 -7.587 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 370 7.389 -8.151 -3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 370 6.442 -9.521 -3.568 1.00 0.00 H new ATOM 979 N PHE A 371 6.740 -5.308 -3.974 1.00 0.00 N ATOM 980 CA PHE A 371 7.181 -3.918 -3.858 1.00 0.00 C ATOM 981 C PHE A 371 8.684 -3.826 -3.607 1.00 0.00 C ATOM 982 O PHE A 371 9.196 -4.352 -2.616 1.00 0.00 O ATOM 983 CB PHE A 371 6.422 -3.206 -2.736 1.00 0.00 C ATOM 984 CG PHE A 371 4.968 -2.965 -3.042 1.00 0.00 C ATOM 985 CD1 PHE A 371 4.563 -2.569 -4.308 1.00 0.00 C ATOM 986 CD2 PHE A 371 4.007 -3.134 -2.059 1.00 0.00 C ATOM 987 CE1 PHE A 371 3.228 -2.347 -4.584 1.00 0.00 C ATOM 988 CE2 PHE A 371 2.671 -2.913 -2.330 1.00 0.00 C ATOM 989 CZ PHE A 371 2.280 -2.520 -3.595 1.00 0.00 C ATOM 0 H PHE A 371 6.860 -5.860 -3.125 1.00 0.00 H new ATOM 0 HA PHE A 371 6.964 -3.426 -4.806 1.00 0.00 H new ATOM 0 HB2 PHE A 371 6.498 -3.800 -1.825 1.00 0.00 H new ATOM 0 HB3 PHE A 371 6.904 -2.250 -2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 371 5.299 -2.433 -5.086 1.00 0.00 H new ATOM 0 HD2 PHE A 371 4.306 -3.442 -1.068 1.00 0.00 H new ATOM 0 HE1 PHE A 371 2.925 -2.038 -5.574 1.00 0.00 H new ATOM 0 HE2 PHE A 371 1.933 -3.047 -1.553 1.00 0.00 H new ATOM 0 HZ PHE A 371 1.236 -2.348 -3.810 1.00 0.00 H new ATOM 999 N THR A 372 9.379 -3.146 -4.516 1.00 0.00 N ATOM 1000 CA THR A 372 10.826 -2.965 -4.418 1.00 0.00 C ATOM 1001 C THR A 372 11.169 -1.704 -3.617 1.00 0.00 C ATOM 1002 O THR A 372 10.280 -1.028 -3.096 1.00 0.00 O ATOM 1003 CB THR A 372 11.443 -2.885 -5.823 1.00 0.00 C ATOM 1004 OG1 THR A 372 11.131 -1.648 -6.445 1.00 0.00 O ATOM 1005 CG2 THR A 372 10.980 -3.993 -6.749 1.00 0.00 C ATOM 0 H THR A 372 8.959 -2.708 -5.336 1.00 0.00 H new ATOM 0 HA THR A 372 11.243 -3.824 -3.893 1.00 0.00 H new ATOM 0 HB THR A 372 12.517 -2.988 -5.667 1.00 0.00 H new ATOM 0 HG1 THR A 372 11.536 -1.619 -7.337 1.00 0.00 H new ATOM 0 HG21 THR A 372 11.455 -3.875 -7.723 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.255 -4.959 -6.326 1.00 0.00 H new ATOM 0 HG23 THR A 372 9.897 -3.942 -6.864 1.00 0.00 H new ATOM 1013 N LYS A 373 12.464 -1.390 -3.528 1.00 0.00 N ATOM 1014 CA LYS A 373 12.924 -0.206 -2.798 1.00 0.00 C ATOM 1015 C LYS A 373 12.366 1.073 -3.425 1.00 0.00 C ATOM 1016 O LYS A 373 12.076 2.042 -2.721 1.00 0.00 O ATOM 1017 CB LYS A 373 14.457 -0.146 -2.774 1.00 0.00 C ATOM 1018 CG LYS A 373 15.040 -0.003 -1.374 1.00 0.00 C ATOM 1019 CD LYS A 373 16.399 0.686 -1.395 1.00 0.00 C ATOM 1020 CE LYS A 373 16.264 2.193 -1.558 1.00 0.00 C ATOM 1021 NZ LYS A 373 17.481 2.916 -1.093 1.00 0.00 N ATOM 0 H LYS A 373 13.212 -1.939 -3.952 1.00 0.00 H new ATOM 0 HA LYS A 373 12.557 -0.283 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 373 14.855 -1.051 -3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 373 14.789 0.694 -3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 373 14.352 0.568 -0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 373 15.139 -0.989 -0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 373 16.933 0.466 -0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 373 16.998 0.284 -2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 373 16.080 2.429 -2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 373 15.398 2.542 -0.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 17.347 3.939 -1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 17.643 2.712 -0.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 18.304 2.602 -1.646 1.00 0.00 H new ATOM 1035 N GLU A 374 12.219 1.065 -4.749 1.00 0.00 N ATOM 1036 CA GLU A 374 11.695 2.219 -5.477 1.00 0.00 C ATOM 1037 C GLU A 374 10.178 2.340 -5.305 1.00 0.00 C ATOM 1038 O GLU A 374 9.630 3.441 -5.346 1.00 0.00 O ATOM 1039 CB GLU A 374 12.041 2.103 -6.964 1.00 0.00 C ATOM 1040 CG GLU A 374 11.696 3.346 -7.772 1.00 0.00 C ATOM 1041 CD GLU A 374 11.350 3.035 -9.216 1.00 0.00 C ATOM 1042 OE1 GLU A 374 10.379 2.284 -9.448 1.00 0.00 O ATOM 1043 OE2 GLU A 374 12.049 3.547 -10.114 1.00 0.00 O ATOM 0 H GLU A 374 12.456 0.269 -5.341 1.00 0.00 H new ATOM 0 HA GLU A 374 12.158 3.116 -5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 374 13.107 1.899 -7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 374 11.512 1.248 -7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 374 10.854 3.855 -7.304 1.00 0.00 H new ATOM 0 HG3 GLU A 374 12.540 4.036 -7.746 1.00 0.00 H new ATOM 1050 N ASP A 375 9.506 1.202 -5.120 1.00 0.00 N ATOM 1051 CA ASP A 375 8.053 1.177 -4.949 1.00 0.00 C ATOM 1052 C ASP A 375 7.612 1.893 -3.670 1.00 0.00 C ATOM 1053 O ASP A 375 6.507 2.436 -3.607 1.00 0.00 O ATOM 1054 CB ASP A 375 7.555 -0.267 -4.936 1.00 0.00 C ATOM 1055 CG ASP A 375 7.376 -0.833 -6.334 1.00 0.00 C ATOM 1056 OD1 ASP A 375 6.919 -0.089 -7.228 1.00 0.00 O ATOM 1057 OD2 ASP A 375 7.699 -2.022 -6.536 1.00 0.00 O ATOM 0 H ASP A 375 9.947 0.283 -5.085 1.00 0.00 H new ATOM 0 HA ASP A 375 7.614 1.711 -5.792 1.00 0.00 H new ATOM 0 HB2 ASP A 375 8.262 -0.887 -4.384 1.00 0.00 H new ATOM 0 HB3 ASP A 375 6.605 -0.316 -4.403 1.00 0.00 H new ATOM 1062 N TYR A 376 8.476 1.895 -2.656 1.00 0.00 N ATOM 1063 CA TYR A 376 8.165 2.551 -1.386 1.00 0.00 C ATOM 1064 C TYR A 376 8.378 4.060 -1.488 1.00 0.00 C ATOM 1065 O TYR A 376 7.493 4.842 -1.140 1.00 0.00 O ATOM 1066 CB TYR A 376 9.029 1.986 -0.254 1.00 0.00 C ATOM 1067 CG TYR A 376 8.615 0.606 0.214 1.00 0.00 C ATOM 1068 CD1 TYR A 376 8.533 -0.461 -0.674 1.00 0.00 C ATOM 1069 CD2 TYR A 376 8.323 0.367 1.551 1.00 0.00 C ATOM 1070 CE1 TYR A 376 8.172 -1.722 -0.243 1.00 0.00 C ATOM 1071 CE2 TYR A 376 7.959 -0.890 1.988 1.00 0.00 C ATOM 1072 CZ TYR A 376 7.886 -1.932 1.087 1.00 0.00 C ATOM 1073 OH TYR A 376 7.532 -3.189 1.520 1.00 0.00 O ATOM 0 H TYR A 376 9.394 1.451 -2.688 1.00 0.00 H new ATOM 0 HA TYR A 376 7.116 2.356 -1.162 1.00 0.00 H new ATOM 0 HB2 TYR A 376 10.066 1.948 -0.588 1.00 0.00 H new ATOM 0 HB3 TYR A 376 8.992 2.671 0.593 1.00 0.00 H new ATOM 0 HD1 TYR A 376 8.755 -0.301 -1.719 1.00 0.00 H new ATOM 0 HD2 TYR A 376 8.382 1.179 2.261 1.00 0.00 H new ATOM 0 HE1 TYR A 376 8.114 -2.540 -0.946 1.00 0.00 H new ATOM 0 HE2 TYR A 376 7.732 -1.057 3.031 1.00 0.00 H new ATOM 0 HH TYR A 376 8.075 -3.431 2.299 1.00 0.00 H new ATOM 1083 N LYS A 377 9.560 4.459 -1.967 1.00 0.00 N ATOM 1084 CA LYS A 377 9.897 5.880 -2.116 1.00 0.00 C ATOM 1085 C LYS A 377 8.917 6.598 -3.048 1.00 0.00 C ATOM 1086 O LYS A 377 8.627 7.780 -2.856 1.00 0.00 O ATOM 1087 CB LYS A 377 11.335 6.053 -2.631 1.00 0.00 C ATOM 1088 CG LYS A 377 11.671 5.215 -3.858 1.00 0.00 C ATOM 1089 CD LYS A 377 11.341 5.948 -5.151 1.00 0.00 C ATOM 1090 CE LYS A 377 12.544 6.706 -5.697 1.00 0.00 C ATOM 1091 NZ LYS A 377 13.711 5.811 -5.938 1.00 0.00 N ATOM 0 H LYS A 377 10.300 3.820 -2.258 1.00 0.00 H new ATOM 0 HA LYS A 377 9.820 6.334 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 377 11.499 7.104 -2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 377 12.028 5.796 -1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 377 12.731 4.960 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 377 11.117 4.277 -3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 377 10.994 5.232 -5.896 1.00 0.00 H new ATOM 0 HD3 LYS A 377 10.522 6.645 -4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 377 12.268 7.199 -6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 377 12.828 7.489 -4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 377 14.435 5.982 -5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 377 13.403 4.819 -5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 377 14.111 6.007 -6.878 1.00 0.00 H new ATOM 1105 N LYS A 378 8.413 5.883 -4.057 1.00 0.00 N ATOM 1106 CA LYS A 378 7.470 6.457 -5.017 1.00 0.00 C ATOM 1107 C LYS A 378 6.103 6.707 -4.368 1.00 0.00 C ATOM 1108 O LYS A 378 5.930 6.510 -3.163 1.00 0.00 O ATOM 1109 CB LYS A 378 7.321 5.530 -6.229 1.00 0.00 C ATOM 1110 CG LYS A 378 6.703 4.184 -5.889 1.00 0.00 C ATOM 1111 CD LYS A 378 6.256 3.430 -7.133 1.00 0.00 C ATOM 1112 CE LYS A 378 4.920 2.745 -6.916 1.00 0.00 C ATOM 1113 NZ LYS A 378 3.884 3.679 -6.390 1.00 0.00 N ATOM 0 H LYS A 378 8.643 4.904 -4.229 1.00 0.00 H new ATOM 0 HA LYS A 378 7.866 7.417 -5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 378 6.706 6.024 -6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 378 8.302 5.368 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 378 7.427 3.581 -5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 378 5.848 4.334 -5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 378 6.180 4.122 -7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 378 7.008 2.687 -7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 378 4.576 2.318 -7.858 1.00 0.00 H new ATOM 0 HE3 LYS A 378 5.048 1.917 -6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 378 2.938 3.312 -6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 378 3.984 3.763 -5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 378 4.006 4.615 -6.827 1.00 0.00 H new ATOM 1127 N LYS A 379 5.136 7.137 -5.179 1.00 0.00 N ATOM 1128 CA LYS A 379 3.784 7.415 -4.692 1.00 0.00 C ATOM 1129 C LYS A 379 3.021 6.110 -4.420 1.00 0.00 C ATOM 1130 O LYS A 379 3.632 5.078 -4.139 1.00 0.00 O ATOM 1131 CB LYS A 379 3.029 8.297 -5.697 1.00 0.00 C ATOM 1132 CG LYS A 379 2.701 7.598 -7.008 1.00 0.00 C ATOM 1133 CD LYS A 379 2.211 8.582 -8.059 1.00 0.00 C ATOM 1134 CE LYS A 379 2.948 8.403 -9.378 1.00 0.00 C ATOM 1135 NZ LYS A 379 3.955 9.477 -9.611 1.00 0.00 N ATOM 0 H LYS A 379 5.264 7.301 -6.178 1.00 0.00 H new ATOM 0 HA LYS A 379 3.859 7.956 -3.749 1.00 0.00 H new ATOM 0 HB2 LYS A 379 2.102 8.641 -5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 379 3.628 9.183 -5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 379 3.587 7.081 -7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 379 1.938 6.839 -6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 379 1.141 8.444 -8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 379 2.351 9.601 -7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 379 3.445 7.433 -9.385 1.00 0.00 H new ATOM 0 HE3 LYS A 379 2.228 8.398 -10.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 379 4.432 9.314 -10.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 379 3.479 10.401 -9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 379 4.658 9.466 -8.845 1.00 0.00 H new ATOM 1149 N LEU A 380 1.686 6.157 -4.490 1.00 0.00 N ATOM 1150 CA LEU A 380 0.866 4.974 -4.234 1.00 0.00 C ATOM 1151 C LEU A 380 0.053 4.564 -5.463 1.00 0.00 C ATOM 1152 O LEU A 380 0.107 3.407 -5.886 1.00 0.00 O ATOM 1153 CB LEU A 380 -0.063 5.233 -3.046 1.00 0.00 C ATOM 1154 CG LEU A 380 0.540 4.903 -1.678 1.00 0.00 C ATOM 1155 CD1 LEU A 380 1.220 6.127 -1.085 1.00 0.00 C ATOM 1156 CD2 LEU A 380 -0.527 4.376 -0.732 1.00 0.00 C ATOM 0 H LEU A 380 1.156 6.997 -4.721 1.00 0.00 H new ATOM 0 HA LEU A 380 1.538 4.148 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 380 -0.357 6.283 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 380 -0.972 4.646 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 380 1.290 4.124 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 380 1.643 5.873 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 380 2.016 6.459 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 380 0.489 6.927 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 380 -0.076 4.148 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 380 -1.303 5.131 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 380 -0.968 3.471 -1.149 1.00 0.00 H new ATOM 1168 N LEU A 381 -0.706 5.506 -6.024 1.00 0.00 N ATOM 1169 CA LEU A 381 -1.541 5.226 -7.201 1.00 0.00 C ATOM 1170 C LEU A 381 -0.747 4.584 -8.346 1.00 0.00 C ATOM 1171 O LEU A 381 -1.324 3.889 -9.183 1.00 0.00 O ATOM 1172 CB LEU A 381 -2.240 6.500 -7.694 1.00 0.00 C ATOM 1173 CG LEU A 381 -1.491 7.311 -8.766 1.00 0.00 C ATOM 1174 CD1 LEU A 381 -1.761 6.755 -10.160 1.00 0.00 C ATOM 1175 CD2 LEU A 381 -1.890 8.777 -8.698 1.00 0.00 C ATOM 0 H LEU A 381 -0.762 6.467 -5.687 1.00 0.00 H new ATOM 0 HA LEU A 381 -2.294 4.506 -6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 381 -3.216 6.224 -8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 381 -2.418 7.148 -6.836 1.00 0.00 H new ATOM 0 HG LEU A 381 -0.423 7.228 -8.567 1.00 0.00 H new ATOM 0 HD11 LEU A 381 -1.220 7.346 -10.899 1.00 0.00 H new ATOM 0 HD12 LEU A 381 -1.427 5.719 -10.209 1.00 0.00 H new ATOM 0 HD13 LEU A 381 -2.830 6.802 -10.370 1.00 0.00 H new ATOM 0 HD21 LEU A 381 -1.351 9.337 -9.463 1.00 0.00 H new ATOM 0 HD22 LEU A 381 -2.963 8.870 -8.868 1.00 0.00 H new ATOM 0 HD23 LEU A 381 -1.642 9.176 -7.714 1.00 0.00 H new ATOM 1187 N ASP A 382 0.569 4.817 -8.383 1.00 0.00 N ATOM 1188 CA ASP A 382 1.423 4.252 -9.431 1.00 0.00 C ATOM 1189 C ASP A 382 1.229 2.735 -9.555 1.00 0.00 C ATOM 1190 O ASP A 382 1.383 2.172 -10.639 1.00 0.00 O ATOM 1191 CB ASP A 382 2.896 4.566 -9.148 1.00 0.00 C ATOM 1192 CG ASP A 382 3.677 4.914 -10.403 1.00 0.00 C ATOM 1193 OD1 ASP A 382 3.212 5.780 -11.174 1.00 0.00 O ATOM 1194 OD2 ASP A 382 4.758 4.326 -10.607 1.00 0.00 O ATOM 0 H ASP A 382 1.064 5.391 -7.701 1.00 0.00 H new ATOM 0 HA ASP A 382 1.132 4.711 -10.376 1.00 0.00 H new ATOM 0 HB2 ASP A 382 2.957 5.398 -8.446 1.00 0.00 H new ATOM 0 HB3 ASP A 382 3.359 3.706 -8.664 1.00 0.00 H new ATOM 1199 N LEU A 383 0.879 2.082 -8.442 1.00 0.00 N ATOM 1200 CA LEU A 383 0.652 0.637 -8.433 1.00 0.00 C ATOM 1201 C LEU A 383 -0.848 0.321 -8.376 1.00 0.00 C ATOM 1202 O LEU A 383 -1.247 -0.747 -7.904 1.00 0.00 O ATOM 1203 CB LEU A 383 1.373 -0.006 -7.243 1.00 0.00 C ATOM 1204 CG LEU A 383 2.817 0.462 -7.024 1.00 0.00 C ATOM 1205 CD1 LEU A 383 3.088 0.710 -5.547 1.00 0.00 C ATOM 1206 CD2 LEU A 383 3.804 -0.552 -7.584 1.00 0.00 C ATOM 0 H LEU A 383 0.747 2.533 -7.537 1.00 0.00 H new ATOM 0 HA LEU A 383 1.055 0.222 -9.357 1.00 0.00 H new ATOM 0 HB2 LEU A 383 0.801 0.198 -6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 383 1.375 -1.087 -7.381 1.00 0.00 H new ATOM 0 HG LEU A 383 2.951 1.402 -7.559 1.00 0.00 H new ATOM 0 HD11 LEU A 383 4.118 1.041 -5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 383 2.410 1.479 -5.177 1.00 0.00 H new ATOM 0 HD13 LEU A 383 2.930 -0.212 -4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 383 4.822 -0.199 -7.418 1.00 0.00 H new ATOM 0 HD22 LEU A 383 3.665 -1.510 -7.083 1.00 0.00 H new ATOM 0 HD23 LEU A 383 3.633 -0.674 -8.654 1.00 0.00 H new ATOM 1218 N GLU A 384 -1.672 1.262 -8.858 1.00 0.00 N ATOM 1219 CA GLU A 384 -3.126 1.108 -8.868 1.00 0.00 C ATOM 1220 C GLU A 384 -3.671 0.848 -7.459 1.00 0.00 C ATOM 1221 O GLU A 384 -4.214 -0.223 -7.178 1.00 0.00 O ATOM 1222 CB GLU A 384 -3.542 -0.021 -9.820 1.00 0.00 C ATOM 1223 CG GLU A 384 -3.776 0.442 -11.252 1.00 0.00 C ATOM 1224 CD GLU A 384 -5.045 -0.127 -11.863 1.00 0.00 C ATOM 1225 OE1 GLU A 384 -6.093 -0.117 -11.182 1.00 0.00 O ATOM 1226 OE2 GLU A 384 -4.989 -0.579 -13.027 1.00 0.00 O ATOM 0 H GLU A 384 -1.347 2.146 -9.249 1.00 0.00 H new ATOM 0 HA GLU A 384 -3.556 2.044 -9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 384 -2.769 -0.790 -9.818 1.00 0.00 H new ATOM 0 HB3 GLU A 384 -4.454 -0.484 -9.444 1.00 0.00 H new ATOM 0 HG2 GLU A 384 -3.827 1.531 -11.272 1.00 0.00 H new ATOM 0 HG3 GLU A 384 -2.923 0.152 -11.865 1.00 0.00 H new ATOM 1233 N LEU A 385 -3.526 1.837 -6.573 1.00 0.00 N ATOM 1234 CA LEU A 385 -4.015 1.705 -5.199 1.00 0.00 C ATOM 1235 C LEU A 385 -5.341 2.441 -5.007 1.00 0.00 C ATOM 1236 O LEU A 385 -6.152 2.057 -4.163 1.00 0.00 O ATOM 1237 CB LEU A 385 -2.982 2.230 -4.199 1.00 0.00 C ATOM 1238 CG LEU A 385 -1.701 1.393 -4.089 1.00 0.00 C ATOM 1239 CD1 LEU A 385 -0.689 2.084 -3.191 1.00 0.00 C ATOM 1240 CD2 LEU A 385 -2.007 -0.003 -3.565 1.00 0.00 C ATOM 0 H LEU A 385 -3.078 2.730 -6.780 1.00 0.00 H new ATOM 0 HA LEU A 385 -4.179 0.643 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 385 -2.710 3.247 -4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -3.447 2.286 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 385 -1.274 1.297 -5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 385 0.213 1.476 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -0.439 3.060 -3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -1.114 2.213 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -1.083 -0.577 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -2.463 0.071 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -2.695 -0.504 -4.246 1.00 0.00 H new ATOM 1252 N ALA A 386 -5.559 3.500 -5.791 1.00 0.00 N ATOM 1253 CA ALA A 386 -6.789 4.277 -5.701 1.00 0.00 C ATOM 1254 C ALA A 386 -7.950 3.541 -6.370 1.00 0.00 C ATOM 1255 O ALA A 386 -7.792 2.972 -7.452 1.00 0.00 O ATOM 1256 CB ALA A 386 -6.597 5.649 -6.334 1.00 0.00 C ATOM 0 H ALA A 386 -4.899 3.835 -6.493 1.00 0.00 H new ATOM 0 HA ALA A 386 -7.032 4.408 -4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 386 -7.524 6.217 -6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 386 -5.802 6.182 -5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 386 -6.328 5.531 -7.384 1.00 0.00 H new ATOM 1262 N PRO A 387 -9.137 3.535 -5.732 1.00 0.00 N ATOM 1263 CA PRO A 387 -9.362 4.200 -4.446 1.00 0.00 C ATOM 1264 C PRO A 387 -8.949 3.358 -3.233 1.00 0.00 C ATOM 1265 O PRO A 387 -8.527 3.909 -2.221 1.00 0.00 O ATOM 1266 CB PRO A 387 -10.869 4.426 -4.446 1.00 0.00 C ATOM 1267 CG PRO A 387 -11.424 3.283 -5.230 1.00 0.00 C ATOM 1268 CD PRO A 387 -10.364 2.881 -6.229 1.00 0.00 C ATOM 0 HA PRO A 387 -8.762 5.106 -4.354 1.00 0.00 H new ATOM 0 HB2 PRO A 387 -11.267 4.441 -3.431 1.00 0.00 H new ATOM 0 HB3 PRO A 387 -11.126 5.382 -4.903 1.00 0.00 H new ATOM 0 HG2 PRO A 387 -11.672 2.449 -4.574 1.00 0.00 H new ATOM 0 HG3 PRO A 387 -12.343 3.573 -5.738 1.00 0.00 H new ATOM 0 HD2 PRO A 387 -10.249 1.798 -6.274 1.00 0.00 H new ATOM 0 HD3 PRO A 387 -10.616 3.217 -7.235 1.00 0.00 H new ATOM 1276 N SER A 388 -9.081 2.031 -3.332 1.00 0.00 N ATOM 1277 CA SER A 388 -8.726 1.137 -2.227 1.00 0.00 C ATOM 1278 C SER A 388 -7.823 -0.005 -2.697 1.00 0.00 C ATOM 1279 O SER A 388 -7.894 -0.429 -3.852 1.00 0.00 O ATOM 1280 CB SER A 388 -9.989 0.565 -1.576 1.00 0.00 C ATOM 1281 OG SER A 388 -10.885 1.598 -1.198 1.00 0.00 O ATOM 0 H SER A 388 -9.430 1.554 -4.164 1.00 0.00 H new ATOM 0 HA SER A 388 -8.176 1.725 -1.492 1.00 0.00 H new ATOM 0 HB2 SER A 388 -10.484 -0.113 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 388 -9.715 -0.021 -0.699 1.00 0.00 H new ATOM 0 HG SER A 388 -11.683 1.205 -0.787 1.00 0.00 H new ATOM 1287 N ALA A 389 -6.971 -0.493 -1.790 1.00 0.00 N ATOM 1288 CA ALA A 389 -6.044 -1.581 -2.101 1.00 0.00 C ATOM 1289 C ALA A 389 -5.688 -2.398 -0.855 1.00 0.00 C ATOM 1290 O ALA A 389 -5.900 -1.953 0.276 1.00 0.00 O ATOM 1291 CB ALA A 389 -4.782 -1.020 -2.735 1.00 0.00 C ATOM 0 H ALA A 389 -6.906 -0.149 -0.832 1.00 0.00 H new ATOM 0 HA ALA A 389 -6.540 -2.250 -2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -4.096 -1.836 -2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -5.040 -0.494 -3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -4.304 -0.328 -2.042 1.00 0.00 H new ATOM 1297 N SER A 390 -5.142 -3.597 -1.077 1.00 0.00 N ATOM 1298 CA SER A 390 -4.748 -4.486 0.016 1.00 0.00 C ATOM 1299 C SER A 390 -3.265 -4.848 -0.073 1.00 0.00 C ATOM 1300 O SER A 390 -2.710 -4.955 -1.169 1.00 0.00 O ATOM 1301 CB SER A 390 -5.592 -5.763 -0.012 1.00 0.00 C ATOM 1302 OG SER A 390 -6.675 -5.682 0.896 1.00 0.00 O ATOM 0 H SER A 390 -4.963 -3.974 -2.008 1.00 0.00 H new ATOM 0 HA SER A 390 -4.918 -3.958 0.954 1.00 0.00 H new ATOM 0 HB2 SER A 390 -5.971 -5.929 -1.020 1.00 0.00 H new ATOM 0 HB3 SER A 390 -4.967 -6.620 0.239 1.00 0.00 H new ATOM 0 HG SER A 390 -7.198 -6.510 0.856 1.00 0.00 H new ATOM 1308 N VAL A 391 -2.631 -5.039 1.086 1.00 0.00 N ATOM 1309 CA VAL A 391 -1.211 -5.393 1.139 1.00 0.00 C ATOM 1310 C VAL A 391 -1.011 -6.795 1.724 1.00 0.00 C ATOM 1311 O VAL A 391 -1.938 -7.384 2.283 1.00 0.00 O ATOM 1312 CB VAL A 391 -0.397 -4.368 1.975 1.00 0.00 C ATOM 1313 CG1 VAL A 391 -0.930 -2.958 1.778 1.00 0.00 C ATOM 1314 CG2 VAL A 391 -0.412 -4.730 3.453 1.00 0.00 C ATOM 0 H VAL A 391 -3.078 -4.955 1.999 1.00 0.00 H new ATOM 0 HA VAL A 391 -0.845 -5.378 0.112 1.00 0.00 H new ATOM 0 HB VAL A 391 0.634 -4.403 1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -0.342 -2.260 2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -0.858 -2.686 0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -1.973 -2.916 2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 391 0.166 -3.995 4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -1.440 -4.737 3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 391 0.027 -5.718 3.590 1.00 0.00 H new ATOM 1324 N VAL A 392 0.213 -7.312 1.607 1.00 0.00 N ATOM 1325 CA VAL A 392 0.552 -8.632 2.138 1.00 0.00 C ATOM 1326 C VAL A 392 1.889 -8.583 2.879 1.00 0.00 C ATOM 1327 O VAL A 392 2.921 -8.259 2.291 1.00 0.00 O ATOM 1328 CB VAL A 392 0.623 -9.709 1.028 1.00 0.00 C ATOM 1329 CG1 VAL A 392 -0.732 -9.885 0.360 1.00 0.00 C ATOM 1330 CG2 VAL A 392 1.691 -9.367 -0.002 1.00 0.00 C ATOM 0 H VAL A 392 0.988 -6.834 1.147 1.00 0.00 H new ATOM 0 HA VAL A 392 -0.245 -8.909 2.828 1.00 0.00 H new ATOM 0 HB VAL A 392 0.899 -10.654 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 392 -0.659 -10.646 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 392 -1.467 -10.194 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 392 -1.043 -8.940 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 392 1.718 -10.141 -0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 392 1.458 -8.407 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 392 2.663 -9.308 0.488 1.00 0.00 H new ATOM 1340 N LEU A 393 1.860 -8.891 4.175 1.00 0.00 N ATOM 1341 CA LEU A 393 3.070 -8.869 4.996 1.00 0.00 C ATOM 1342 C LEU A 393 3.872 -10.160 4.836 1.00 0.00 C ATOM 1343 O LEU A 393 3.307 -11.257 4.852 1.00 0.00 O ATOM 1344 CB LEU A 393 2.706 -8.656 6.468 1.00 0.00 C ATOM 1345 CG LEU A 393 3.514 -7.572 7.183 1.00 0.00 C ATOM 1346 CD1 LEU A 393 2.951 -6.192 6.875 1.00 0.00 C ATOM 1347 CD2 LEU A 393 3.525 -7.820 8.682 1.00 0.00 C ATOM 0 H LEU A 393 1.014 -9.158 4.678 1.00 0.00 H new ATOM 0 HA LEU A 393 3.691 -8.040 4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 393 1.648 -8.401 6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 393 2.840 -9.598 7.000 1.00 0.00 H new ATOM 0 HG LEU A 393 4.540 -7.612 6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 393 3.540 -5.435 7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 393 2.994 -6.013 5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 393 1.915 -6.138 7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 393 4.104 -7.040 9.176 1.00 0.00 H new ATOM 0 HD22 LEU A 393 2.503 -7.808 9.060 1.00 0.00 H new ATOM 0 HD23 LEU A 393 3.976 -8.791 8.887 1.00 0.00 H new ATOM 1359 N LEU A 394 5.194 -10.023 4.686 1.00 0.00 N ATOM 1360 CA LEU A 394 6.074 -11.178 4.528 1.00 0.00 C ATOM 1361 C LEU A 394 7.122 -11.245 5.649 1.00 0.00 C ATOM 1362 O LEU A 394 8.320 -11.358 5.380 1.00 0.00 O ATOM 1363 CB LEU A 394 6.752 -11.131 3.153 1.00 0.00 C ATOM 1364 CG LEU A 394 6.482 -12.337 2.250 1.00 0.00 C ATOM 1365 CD1 LEU A 394 4.995 -12.460 1.949 1.00 0.00 C ATOM 1366 CD2 LEU A 394 7.282 -12.221 0.959 1.00 0.00 C ATOM 0 H LEU A 394 5.674 -9.123 4.671 1.00 0.00 H new ATOM 0 HA LEU A 394 5.468 -12.081 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 394 6.425 -10.229 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 394 7.828 -11.041 3.300 1.00 0.00 H new ATOM 0 HG LEU A 394 6.799 -13.239 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 394 4.824 -13.323 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 394 4.444 -12.587 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 394 4.650 -11.558 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 394 7.080 -13.086 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 394 6.993 -11.311 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 394 8.346 -12.183 1.192 1.00 0.00 H new ATOM 1378 N PRO A 395 6.686 -11.169 6.927 1.00 0.00 N ATOM 1379 CA PRO A 395 7.586 -11.218 8.087 1.00 0.00 C ATOM 1380 C PRO A 395 8.692 -12.264 7.942 1.00 0.00 C ATOM 1381 O PRO A 395 8.432 -13.405 7.557 1.00 0.00 O ATOM 1382 CB PRO A 395 6.654 -11.598 9.234 1.00 0.00 C ATOM 1383 CG PRO A 395 5.322 -11.051 8.849 1.00 0.00 C ATOM 1384 CD PRO A 395 5.277 -11.018 7.342 1.00 0.00 C ATOM 0 HA PRO A 395 8.111 -10.273 8.226 1.00 0.00 H new ATOM 0 HB2 PRO A 395 6.613 -12.679 9.367 1.00 0.00 H new ATOM 0 HB3 PRO A 395 6.997 -11.174 10.178 1.00 0.00 H new ATOM 0 HG2 PRO A 395 4.520 -11.674 9.245 1.00 0.00 H new ATOM 0 HG3 PRO A 395 5.182 -10.052 9.261 1.00 0.00 H new ATOM 0 HD2 PRO A 395 4.658 -11.823 6.946 1.00 0.00 H new ATOM 0 HD3 PRO A 395 4.854 -10.082 6.978 1.00 0.00 H new ATOM 1392 N ALA A 396 9.924 -11.863 8.256 1.00 0.00 N ATOM 1393 CA ALA A 396 11.073 -12.760 8.163 1.00 0.00 C ATOM 1394 C ALA A 396 11.835 -12.831 9.490 1.00 0.00 C ATOM 1395 O ALA A 396 13.067 -12.900 9.508 1.00 0.00 O ATOM 1396 CB ALA A 396 11.990 -12.310 7.033 1.00 0.00 C ATOM 0 H ALA A 396 10.151 -10.922 8.577 1.00 0.00 H new ATOM 0 HA ALA A 396 10.709 -13.764 7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 396 12.845 -12.983 6.969 1.00 0.00 H new ATOM 0 HB2 ALA A 396 11.442 -12.328 6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 396 12.340 -11.297 7.230 1.00 0.00 H new ATOM 1402 N GLY A 397 11.091 -12.818 10.600 1.00 0.00 N ATOM 1403 CA GLY A 397 11.706 -12.886 11.914 1.00 0.00 C ATOM 1404 C GLY A 397 11.629 -14.274 12.517 1.00 0.00 C ATOM 1405 O GLY A 397 12.569 -15.068 12.300 1.00 0.00 O ATOM 1406 OXT GLY A 397 10.629 -14.568 13.203 1.00 0.00 O ATOM 0 H GLY A 397 10.073 -12.761 10.608 1.00 0.00 H new ATOM 0 HA2 GLY A 397 12.750 -12.583 11.839 1.00 0.00 H new ATOM 0 HA3 GLY A 397 11.215 -12.176 12.579 1.00 0.00 H new