USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=20 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 347 GLN :FLIP amide:sc= 0.0168 F(o=-0.7,f=-0.095) USER MOD Set 1.2: A 351 GLN :FLIP amide:sc= -0.112 X(o=-0.55,f=-0.095) USER MOD Single : A 318 THR OG1 : rot -45:sc= 0.884 USER MOD Single : A 323 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 330 SER OG : rot 180:sc= 0 USER MOD Single : A 331 SER OG : rot 180:sc= -0.0569 USER MOD Single : A 333 THR OG1 : rot 180:sc= 0 USER MOD Single : A 334 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 335 GLN : amide:sc= -0.0215 X(o=-0.022,f=0) USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 352 THR OG1 : rot 180:sc= -0.525 USER MOD Single : A 355 ASN : amide:sc= -0.277 K(o=-0.28,f=-1.5) USER MOD Single : A 356 THR OG1 : rot -173:sc= -0.638 USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 359 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 361 SER OG : rot 54:sc= 0.474 USER MOD Single : A 364 THR OG1 : rot -170:sc= -0.0624 USER MOD Single : A 365 MET CE :methyl -113:sc= -0.0354 (180deg=-1.48) USER MOD Single : A 372 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 373 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 376 TYR OH : rot 17:sc= -1.32 USER MOD Single : A 377 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00483) USER MOD Single : A 378 LYS NZ :NH3+ -165:sc= -1.63! (180deg=-2.17!) USER MOD Single : A 379 LYS NZ :NH3+ 171:sc= 0.166 (180deg=0.0664) 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 -9.304 12.505 -4.045 1.00 0.00 N ATOM 164 CA THR A 318 -8.000 12.499 -4.705 1.00 0.00 C ATOM 165 C THR A 318 -6.936 11.831 -3.820 1.00 0.00 C ATOM 166 O THR A 318 -5.826 12.343 -3.664 1.00 0.00 O ATOM 167 CB THR A 318 -7.592 13.935 -5.062 1.00 0.00 C ATOM 168 OG1 THR A 318 -6.315 13.966 -5.679 1.00 0.00 O ATOM 169 CG2 THR A 318 -7.556 14.865 -3.863 1.00 0.00 C ATOM 0 HA THR A 318 -8.076 11.916 -5.623 1.00 0.00 H new ATOM 0 HB THR A 318 -8.362 14.287 -5.749 1.00 0.00 H new ATOM 0 HG1 THR A 318 -5.699 13.386 -5.184 1.00 0.00 H new ATOM 0 HG21 THR A 318 -7.260 15.863 -4.186 1.00 0.00 H new ATOM 0 HG22 THR A 318 -8.545 14.909 -3.407 1.00 0.00 H new ATOM 0 HG23 THR A 318 -6.837 14.491 -3.134 1.00 0.00 H new ATOM 177 N VAL A 319 -7.290 10.683 -3.242 1.00 0.00 N ATOM 178 CA VAL A 319 -6.379 9.939 -2.373 1.00 0.00 C ATOM 179 C VAL A 319 -6.511 8.434 -2.598 1.00 0.00 C ATOM 180 O VAL A 319 -7.437 7.975 -3.271 1.00 0.00 O ATOM 181 CB VAL A 319 -6.639 10.242 -0.880 1.00 0.00 C ATOM 182 CG1 VAL A 319 -6.233 11.668 -0.529 1.00 0.00 C ATOM 183 CG2 VAL A 319 -8.102 9.998 -0.531 1.00 0.00 C ATOM 0 H VAL A 319 -8.205 10.247 -3.361 1.00 0.00 H new ATOM 0 HA VAL A 319 -5.370 10.261 -2.631 1.00 0.00 H new ATOM 0 HB VAL A 319 -6.025 9.564 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 319 -6.428 11.852 0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 319 -5.171 11.804 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 319 -6.810 12.369 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 319 -8.266 10.217 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 319 -8.734 10.646 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 319 -8.354 8.956 -0.729 1.00 0.00 H new ATOM 193 N ALA A 320 -5.582 7.672 -2.023 1.00 0.00 N ATOM 194 CA ALA A 320 -5.589 6.213 -2.152 1.00 0.00 C ATOM 195 C ALA A 320 -5.847 5.532 -0.808 1.00 0.00 C ATOM 196 O ALA A 320 -5.516 6.068 0.250 1.00 0.00 O ATOM 197 CB ALA A 320 -4.278 5.725 -2.754 1.00 0.00 C ATOM 0 H ALA A 320 -4.813 8.040 -1.462 1.00 0.00 H new ATOM 0 HA ALA A 320 -6.405 5.943 -2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 320 -4.300 4.639 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 320 -4.144 6.167 -3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 320 -3.450 6.019 -2.109 1.00 0.00 H new ATOM 203 N ARG A 321 -6.449 4.349 -0.856 1.00 0.00 N ATOM 204 CA ARG A 321 -6.757 3.600 0.354 1.00 0.00 C ATOM 205 C ARG A 321 -6.071 2.239 0.338 1.00 0.00 C ATOM 206 O ARG A 321 -6.208 1.482 -0.622 1.00 0.00 O ATOM 207 CB ARG A 321 -8.265 3.427 0.481 1.00 0.00 C ATOM 208 CG ARG A 321 -8.774 3.527 1.910 1.00 0.00 C ATOM 209 CD ARG A 321 -10.034 4.374 2.000 1.00 0.00 C ATOM 210 NE ARG A 321 -10.916 3.929 3.078 1.00 0.00 N ATOM 211 CZ ARG A 321 -11.715 2.861 2.998 1.00 0.00 C ATOM 212 NH1 ARG A 321 -11.752 2.127 1.888 1.00 0.00 N ATOM 213 NH2 ARG A 321 -12.476 2.527 4.034 1.00 0.00 N ATOM 0 H ARG A 321 -6.733 3.889 -1.721 1.00 0.00 H new ATOM 0 HA ARG A 321 -6.385 4.158 1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -8.761 4.185 -0.126 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -8.546 2.457 0.072 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -8.979 2.528 2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -7.999 3.959 2.543 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -9.760 5.416 2.163 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -10.569 4.330 1.052 1.00 0.00 H new ATOM 0 HE ARG A 321 -10.922 4.467 3.945 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -11.168 2.378 1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -12.365 1.313 1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -12.449 3.085 4.887 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -13.087 1.712 3.976 1.00 0.00 H new ATOM 227 N ILE A 322 -5.334 1.932 1.401 1.00 0.00 N ATOM 228 CA ILE A 322 -4.632 0.654 1.499 1.00 0.00 C ATOM 229 C ILE A 322 -4.976 -0.062 2.800 1.00 0.00 C ATOM 230 O ILE A 322 -5.191 0.575 3.835 1.00 0.00 O ATOM 231 CB ILE A 322 -3.095 0.819 1.411 1.00 0.00 C ATOM 232 CG1 ILE A 322 -2.715 2.151 0.758 1.00 0.00 C ATOM 233 CG2 ILE A 322 -2.482 -0.342 0.640 1.00 0.00 C ATOM 234 CD1 ILE A 322 -3.164 2.281 -0.685 1.00 0.00 C ATOM 0 H ILE A 322 -5.207 2.547 2.205 1.00 0.00 H new ATOM 0 HA ILE A 322 -4.966 0.058 0.649 1.00 0.00 H new ATOM 0 HB ILE A 322 -2.699 0.818 2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 322 -3.150 2.965 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 322 -1.632 2.270 0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 322 -1.401 -0.213 0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 322 -2.710 -1.278 1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 322 -2.895 -0.368 -0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 322 -2.857 3.251 -1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 322 -2.709 1.490 -1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 322 -4.249 2.196 -0.737 1.00 0.00 H new ATOM 246 N GLN A 323 -5.029 -1.388 2.737 1.00 0.00 N ATOM 247 CA GLN A 323 -5.348 -2.203 3.904 1.00 0.00 C ATOM 248 C GLN A 323 -4.119 -2.979 4.373 1.00 0.00 C ATOM 249 O GLN A 323 -3.593 -3.824 3.645 1.00 0.00 O ATOM 250 CB GLN A 323 -6.488 -3.170 3.576 1.00 0.00 C ATOM 251 CG GLN A 323 -7.746 -2.928 4.393 1.00 0.00 C ATOM 252 CD GLN A 323 -8.977 -3.557 3.769 1.00 0.00 C ATOM 253 OE1 GLN A 323 -9.841 -2.861 3.235 1.00 0.00 O ATOM 254 NE2 GLN A 323 -9.064 -4.882 3.831 1.00 0.00 N ATOM 0 H GLN A 323 -4.854 -1.923 1.886 1.00 0.00 H new ATOM 0 HA GLN A 323 -5.665 -1.541 4.710 1.00 0.00 H new ATOM 0 HB2 GLN A 323 -6.731 -3.086 2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 323 -6.147 -4.191 3.744 1.00 0.00 H new ATOM 0 HG2 GLN A 323 -7.606 -3.330 5.396 1.00 0.00 H new ATOM 0 HG3 GLN A 323 -7.905 -1.855 4.499 1.00 0.00 H new ATOM 0 HE21 GLN A 323 -8.325 -5.421 4.283 1.00 0.00 H new ATOM 0 HE22 GLN A 323 -9.869 -5.360 3.427 1.00 0.00 H new ATOM 263 N PHE A 324 -3.664 -2.685 5.590 1.00 0.00 N ATOM 264 CA PHE A 324 -2.492 -3.349 6.158 1.00 0.00 C ATOM 265 C PHE A 324 -2.886 -4.623 6.905 1.00 0.00 C ATOM 266 O PHE A 324 -3.502 -4.565 7.969 1.00 0.00 O ATOM 267 CB PHE A 324 -1.752 -2.399 7.099 1.00 0.00 C ATOM 268 CG PHE A 324 -0.255 -2.472 6.980 1.00 0.00 C ATOM 269 CD1 PHE A 324 0.470 -3.358 7.760 1.00 0.00 C ATOM 270 CD2 PHE A 324 0.427 -1.653 6.093 1.00 0.00 C ATOM 271 CE1 PHE A 324 1.846 -3.427 7.657 1.00 0.00 C ATOM 272 CE2 PHE A 324 1.803 -1.719 5.986 1.00 0.00 C ATOM 273 CZ PHE A 324 2.513 -2.607 6.771 1.00 0.00 C ATOM 0 H PHE A 324 -4.090 -1.990 6.203 1.00 0.00 H new ATOM 0 HA PHE A 324 -1.832 -3.627 5.336 1.00 0.00 H new ATOM 0 HB2 PHE A 324 -2.074 -1.378 6.896 1.00 0.00 H new ATOM 0 HB3 PHE A 324 -2.037 -2.625 8.127 1.00 0.00 H new ATOM 0 HD1 PHE A 324 -0.046 -4.002 8.456 1.00 0.00 H new ATOM 0 HD2 PHE A 324 -0.123 -0.956 5.479 1.00 0.00 H new ATOM 0 HE1 PHE A 324 2.399 -4.123 8.270 1.00 0.00 H new ATOM 0 HE2 PHE A 324 2.323 -1.077 5.290 1.00 0.00 H new ATOM 0 HZ PHE A 324 3.589 -2.659 6.691 1.00 0.00 H new ATOM 283 N ARG A 325 -2.524 -5.772 6.337 1.00 0.00 N ATOM 284 CA ARG A 325 -2.834 -7.065 6.938 1.00 0.00 C ATOM 285 C ARG A 325 -1.677 -7.570 7.803 1.00 0.00 C ATOM 286 O ARG A 325 -0.682 -6.871 7.993 1.00 0.00 O ATOM 287 CB ARG A 325 -3.150 -8.094 5.847 1.00 0.00 C ATOM 288 CG ARG A 325 -4.056 -7.564 4.746 1.00 0.00 C ATOM 289 CD ARG A 325 -4.886 -8.673 4.116 1.00 0.00 C ATOM 290 NE ARG A 325 -4.062 -9.628 3.373 1.00 0.00 N ATOM 291 CZ ARG A 325 -4.556 -10.547 2.539 1.00 0.00 C ATOM 292 NH1 ARG A 325 -5.866 -10.632 2.328 1.00 0.00 N ATOM 293 NH2 ARG A 325 -3.737 -11.384 1.912 1.00 0.00 N ATOM 0 H ARG A 325 -2.013 -5.832 5.456 1.00 0.00 H new ATOM 0 HA ARG A 325 -3.707 -6.933 7.577 1.00 0.00 H new ATOM 0 HB2 ARG A 325 -2.216 -8.436 5.402 1.00 0.00 H new ATOM 0 HB3 ARG A 325 -3.622 -8.963 6.306 1.00 0.00 H new ATOM 0 HG2 ARG A 325 -4.719 -6.802 5.156 1.00 0.00 H new ATOM 0 HG3 ARG A 325 -3.451 -7.081 3.978 1.00 0.00 H new ATOM 0 HD2 ARG A 325 -5.436 -9.200 4.896 1.00 0.00 H new ATOM 0 HD3 ARG A 325 -5.625 -8.235 3.445 1.00 0.00 H new ATOM 0 HE ARG A 325 -3.051 -9.589 3.500 1.00 0.00 H new ATOM 0 HH11 ARG A 325 -6.502 -9.993 2.805 1.00 0.00 H new ATOM 0 HH12 ARG A 325 -6.235 -11.337 1.690 1.00 0.00 H new ATOM 0 HH21 ARG A 325 -2.731 -11.325 2.067 1.00 0.00 H new ATOM 0 HH22 ARG A 325 -4.114 -12.086 1.275 1.00 0.00 H new ATOM 307 N LEU A 326 -1.817 -8.793 8.321 1.00 0.00 N ATOM 308 CA LEU A 326 -0.786 -9.399 9.164 1.00 0.00 C ATOM 309 C LEU A 326 -1.077 -10.886 9.406 1.00 0.00 C ATOM 310 O LEU A 326 -2.195 -11.349 9.170 1.00 0.00 O ATOM 311 CB LEU A 326 -0.677 -8.653 10.503 1.00 0.00 C ATOM 312 CG LEU A 326 -1.992 -8.078 11.046 1.00 0.00 C ATOM 313 CD1 LEU A 326 -2.794 -9.154 11.761 1.00 0.00 C ATOM 314 CD2 LEU A 326 -1.720 -6.906 11.978 1.00 0.00 C ATOM 0 H LEU A 326 -2.636 -9.383 8.171 1.00 0.00 H new ATOM 0 HA LEU A 326 0.166 -9.319 8.640 1.00 0.00 H new ATOM 0 HB2 LEU A 326 -0.264 -9.335 11.247 1.00 0.00 H new ATOM 0 HB3 LEU A 326 0.036 -7.837 10.388 1.00 0.00 H new ATOM 0 HG LEU A 326 -2.580 -7.717 10.203 1.00 0.00 H new ATOM 0 HD11 LEU A 326 -3.722 -8.725 12.138 1.00 0.00 H new ATOM 0 HD12 LEU A 326 -3.023 -9.960 11.064 1.00 0.00 H new ATOM 0 HD13 LEU A 326 -2.212 -9.549 12.594 1.00 0.00 H new ATOM 0 HD21 LEU A 326 -2.665 -6.512 12.353 1.00 0.00 H new ATOM 0 HD22 LEU A 326 -1.109 -7.242 12.816 1.00 0.00 H new ATOM 0 HD23 LEU A 326 -1.191 -6.124 11.434 1.00 0.00 H new ATOM 326 N PRO A 327 -0.073 -11.653 9.890 1.00 0.00 N ATOM 327 CA PRO A 327 -0.227 -13.091 10.170 1.00 0.00 C ATOM 328 C PRO A 327 -1.439 -13.400 11.046 1.00 0.00 C ATOM 329 O PRO A 327 -2.071 -14.445 10.892 1.00 0.00 O ATOM 330 CB PRO A 327 1.063 -13.449 10.910 1.00 0.00 C ATOM 331 CG PRO A 327 2.057 -12.454 10.435 1.00 0.00 C ATOM 332 CD PRO A 327 1.289 -11.180 10.205 1.00 0.00 C ATOM 0 HA PRO A 327 -0.390 -13.660 9.255 1.00 0.00 H new ATOM 0 HB2 PRO A 327 0.929 -13.391 11.990 1.00 0.00 H new ATOM 0 HB3 PRO A 327 1.381 -14.466 10.682 1.00 0.00 H new ATOM 0 HG2 PRO A 327 2.845 -12.307 11.173 1.00 0.00 H new ATOM 0 HG3 PRO A 327 2.539 -12.791 9.517 1.00 0.00 H new ATOM 0 HD2 PRO A 327 1.298 -10.541 11.088 1.00 0.00 H new ATOM 0 HD3 PRO A 327 1.712 -10.598 9.386 1.00 0.00 H new ATOM 340 N ASP A 328 -1.754 -12.486 11.966 1.00 0.00 N ATOM 341 CA ASP A 328 -2.892 -12.662 12.870 1.00 0.00 C ATOM 342 C ASP A 328 -4.191 -12.913 12.097 1.00 0.00 C ATOM 343 O ASP A 328 -5.108 -13.558 12.609 1.00 0.00 O ATOM 344 CB ASP A 328 -3.051 -11.437 13.777 1.00 0.00 C ATOM 345 CG ASP A 328 -3.417 -11.810 15.201 1.00 0.00 C ATOM 346 OD1 ASP A 328 -2.653 -12.572 15.830 1.00 0.00 O ATOM 347 OD2 ASP A 328 -4.467 -11.339 15.688 1.00 0.00 O ATOM 0 H ASP A 328 -1.238 -11.617 12.104 1.00 0.00 H new ATOM 0 HA ASP A 328 -2.690 -13.539 13.485 1.00 0.00 H new ATOM 0 HB2 ASP A 328 -2.120 -10.870 13.782 1.00 0.00 H new ATOM 0 HB3 ASP A 328 -3.821 -10.783 13.367 1.00 0.00 H new ATOM 352 N GLY A 329 -4.269 -12.397 10.868 1.00 0.00 N ATOM 353 CA GLY A 329 -5.462 -12.578 10.058 1.00 0.00 C ATOM 354 C GLY A 329 -6.225 -11.282 9.842 1.00 0.00 C ATOM 355 O GLY A 329 -6.877 -11.104 8.813 1.00 0.00 O ATOM 0 H GLY A 329 -3.527 -11.858 10.422 1.00 0.00 H new ATOM 0 HA2 GLY A 329 -5.180 -12.995 9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 329 -6.117 -13.305 10.539 1.00 0.00 H new ATOM 359 N SER A 330 -6.147 -10.377 10.817 1.00 0.00 N ATOM 360 CA SER A 330 -6.837 -9.092 10.732 1.00 0.00 C ATOM 361 C SER A 330 -6.018 -8.068 9.941 1.00 0.00 C ATOM 362 O SER A 330 -4.846 -8.296 9.631 1.00 0.00 O ATOM 363 CB SER A 330 -7.127 -8.560 12.137 1.00 0.00 C ATOM 364 OG SER A 330 -8.027 -9.410 12.829 1.00 0.00 O ATOM 0 H SER A 330 -5.612 -10.511 11.675 1.00 0.00 H new ATOM 0 HA SER A 330 -7.777 -9.249 10.203 1.00 0.00 H new ATOM 0 HB2 SER A 330 -6.196 -8.478 12.697 1.00 0.00 H new ATOM 0 HB3 SER A 330 -7.548 -7.557 12.070 1.00 0.00 H new ATOM 0 HG SER A 330 -8.195 -9.049 13.725 1.00 0.00 H new ATOM 370 N SER A 331 -6.645 -6.936 9.618 1.00 0.00 N ATOM 371 CA SER A 331 -5.979 -5.871 8.866 1.00 0.00 C ATOM 372 C SER A 331 -6.537 -4.501 9.250 1.00 0.00 C ATOM 373 O SER A 331 -7.699 -4.385 9.649 1.00 0.00 O ATOM 374 CB SER A 331 -6.140 -6.091 7.353 1.00 0.00 C ATOM 375 OG SER A 331 -6.470 -7.439 7.052 1.00 0.00 O ATOM 0 H SER A 331 -7.613 -6.733 9.865 1.00 0.00 H new ATOM 0 HA SER A 331 -4.919 -5.901 9.117 1.00 0.00 H new ATOM 0 HB2 SER A 331 -6.918 -5.431 6.970 1.00 0.00 H new ATOM 0 HB3 SER A 331 -5.214 -5.820 6.845 1.00 0.00 H new ATOM 0 HG SER A 331 -6.566 -7.543 6.082 1.00 0.00 H new ATOM 381 N PHE A 332 -5.709 -3.462 9.119 1.00 0.00 N ATOM 382 CA PHE A 332 -6.132 -2.103 9.444 1.00 0.00 C ATOM 383 C PHE A 332 -6.124 -1.223 8.196 1.00 0.00 C ATOM 384 O PHE A 332 -5.163 -1.230 7.424 1.00 0.00 O ATOM 385 CB PHE A 332 -5.252 -1.484 10.545 1.00 0.00 C ATOM 386 CG PHE A 332 -3.798 -1.889 10.516 1.00 0.00 C ATOM 387 CD1 PHE A 332 -3.407 -3.164 10.893 1.00 0.00 C ATOM 388 CD2 PHE A 332 -2.822 -0.983 10.127 1.00 0.00 C ATOM 389 CE1 PHE A 332 -2.073 -3.528 10.882 1.00 0.00 C ATOM 390 CE2 PHE A 332 -1.487 -1.342 10.113 1.00 0.00 C ATOM 391 CZ PHE A 332 -1.113 -2.617 10.490 1.00 0.00 C ATOM 0 H PHE A 332 -4.746 -3.538 8.791 1.00 0.00 H new ATOM 0 HA PHE A 332 -7.151 -2.159 9.826 1.00 0.00 H new ATOM 0 HB2 PHE A 332 -5.311 -0.398 10.466 1.00 0.00 H new ATOM 0 HB3 PHE A 332 -5.668 -1.756 11.515 1.00 0.00 H new ATOM 0 HD1 PHE A 332 -4.153 -3.882 11.199 1.00 0.00 H new ATOM 0 HD2 PHE A 332 -3.109 0.015 9.831 1.00 0.00 H new ATOM 0 HE1 PHE A 332 -1.782 -4.525 11.180 1.00 0.00 H new ATOM 0 HE2 PHE A 332 -0.738 -0.627 9.808 1.00 0.00 H new ATOM 0 HZ PHE A 332 -0.071 -2.901 10.478 1.00 0.00 H new ATOM 401 N THR A 333 -7.210 -0.479 7.999 1.00 0.00 N ATOM 402 CA THR A 333 -7.345 0.396 6.837 1.00 0.00 C ATOM 403 C THR A 333 -6.925 1.826 7.167 1.00 0.00 C ATOM 404 O THR A 333 -7.294 2.368 8.211 1.00 0.00 O ATOM 405 CB THR A 333 -8.790 0.388 6.324 1.00 0.00 C ATOM 406 OG1 THR A 333 -9.403 -0.873 6.539 1.00 0.00 O ATOM 407 CG2 THR A 333 -8.905 0.708 4.849 1.00 0.00 C ATOM 0 H THR A 333 -8.011 -0.465 8.631 1.00 0.00 H new ATOM 0 HA THR A 333 -6.684 0.014 6.059 1.00 0.00 H new ATOM 0 HB THR A 333 -9.295 1.170 6.892 1.00 0.00 H new ATOM 0 HG1 THR A 333 -10.324 -0.850 6.204 1.00 0.00 H new ATOM 0 HG21 THR A 333 -9.954 0.685 4.552 1.00 0.00 H new ATOM 0 HG22 THR A 333 -8.496 1.700 4.659 1.00 0.00 H new ATOM 0 HG23 THR A 333 -8.349 -0.031 4.272 1.00 0.00 H new ATOM 415 N ASN A 334 -6.157 2.430 6.264 1.00 0.00 N ATOM 416 CA ASN A 334 -5.686 3.800 6.442 1.00 0.00 C ATOM 417 C ASN A 334 -5.860 4.603 5.153 1.00 0.00 C ATOM 418 O ASN A 334 -6.206 4.048 4.108 1.00 0.00 O ATOM 419 CB ASN A 334 -4.215 3.802 6.871 1.00 0.00 C ATOM 420 CG ASN A 334 -4.017 4.406 8.249 1.00 0.00 C ATOM 421 OD1 ASN A 334 -4.308 3.772 9.263 1.00 0.00 O ATOM 422 ND2 ASN A 334 -3.518 5.637 8.292 1.00 0.00 N ATOM 0 H ASN A 334 -5.847 1.990 5.398 1.00 0.00 H new ATOM 0 HA ASN A 334 -6.283 4.270 7.224 1.00 0.00 H new ATOM 0 HB2 ASN A 334 -3.836 2.780 6.867 1.00 0.00 H new ATOM 0 HB3 ASN A 334 -3.628 4.362 6.144 1.00 0.00 H new ATOM 0 HD21 ASN A 334 -3.362 6.093 9.191 1.00 0.00 H new ATOM 0 HD22 ASN A 334 -3.291 6.126 7.426 1.00 0.00 H new ATOM 429 N GLN A 335 -5.623 5.913 5.234 1.00 0.00 N ATOM 430 CA GLN A 335 -5.759 6.785 4.073 1.00 0.00 C ATOM 431 C GLN A 335 -4.398 7.289 3.605 1.00 0.00 C ATOM 432 O GLN A 335 -3.684 7.964 4.348 1.00 0.00 O ATOM 433 CB GLN A 335 -6.672 7.970 4.405 1.00 0.00 C ATOM 434 CG GLN A 335 -8.124 7.756 3.997 1.00 0.00 C ATOM 435 CD GLN A 335 -9.076 7.799 5.177 1.00 0.00 C ATOM 436 OE1 GLN A 335 -9.785 6.831 5.453 1.00 0.00 O ATOM 437 NE2 GLN A 335 -9.099 8.927 5.881 1.00 0.00 N ATOM 0 H GLN A 335 -5.337 6.389 6.089 1.00 0.00 H new ATOM 0 HA GLN A 335 -6.205 6.206 3.265 1.00 0.00 H new ATOM 0 HB2 GLN A 335 -6.629 8.161 5.477 1.00 0.00 H new ATOM 0 HB3 GLN A 335 -6.291 8.862 3.907 1.00 0.00 H new ATOM 0 HG2 GLN A 335 -8.411 8.521 3.276 1.00 0.00 H new ATOM 0 HG3 GLN A 335 -8.218 6.793 3.495 1.00 0.00 H new ATOM 0 HE21 GLN A 335 -8.494 9.705 5.617 1.00 0.00 H new ATOM 0 HE22 GLN A 335 -9.721 9.014 6.685 1.00 0.00 H new ATOM 446 N PHE A 336 -4.054 6.960 2.365 1.00 0.00 N ATOM 447 CA PHE A 336 -2.789 7.379 1.772 1.00 0.00 C ATOM 448 C PHE A 336 -3.049 8.061 0.434 1.00 0.00 C ATOM 449 O PHE A 336 -3.570 7.444 -0.490 1.00 0.00 O ATOM 450 CB PHE A 336 -1.864 6.174 1.586 1.00 0.00 C ATOM 451 CG PHE A 336 -1.505 5.492 2.876 1.00 0.00 C ATOM 452 CD1 PHE A 336 -0.436 5.938 3.635 1.00 0.00 C ATOM 453 CD2 PHE A 336 -2.238 4.407 3.331 1.00 0.00 C ATOM 454 CE1 PHE A 336 -0.105 5.316 4.822 1.00 0.00 C ATOM 455 CE2 PHE A 336 -1.911 3.781 4.517 1.00 0.00 C ATOM 456 CZ PHE A 336 -0.842 4.237 5.264 1.00 0.00 C ATOM 0 H PHE A 336 -4.639 6.399 1.746 1.00 0.00 H new ATOM 0 HA PHE A 336 -2.300 8.087 2.441 1.00 0.00 H new ATOM 0 HB2 PHE A 336 -2.346 5.454 0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 336 -0.950 6.500 1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 336 0.145 6.782 3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 336 -3.075 4.047 2.751 1.00 0.00 H new ATOM 0 HE1 PHE A 336 0.731 5.674 5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 336 -2.490 2.936 4.860 1.00 0.00 H new ATOM 0 HZ PHE A 336 -0.584 3.749 6.192 1.00 0.00 H new ATOM 466 N PRO A 337 -2.699 9.352 0.308 1.00 0.00 N ATOM 467 CA PRO A 337 -2.923 10.110 -0.924 1.00 0.00 C ATOM 468 C PRO A 337 -2.317 9.448 -2.148 1.00 0.00 C ATOM 469 O PRO A 337 -1.440 8.587 -2.042 1.00 0.00 O ATOM 470 CB PRO A 337 -2.245 11.451 -0.662 1.00 0.00 C ATOM 471 CG PRO A 337 -2.180 11.568 0.816 1.00 0.00 C ATOM 472 CD PRO A 337 -2.064 10.169 1.349 1.00 0.00 C ATOM 0 HA PRO A 337 -3.987 10.190 -1.145 1.00 0.00 H new ATOM 0 HB2 PRO A 337 -1.249 11.483 -1.104 1.00 0.00 H new ATOM 0 HB3 PRO A 337 -2.814 12.272 -1.098 1.00 0.00 H new ATOM 0 HG2 PRO A 337 -1.325 12.171 1.120 1.00 0.00 H new ATOM 0 HG3 PRO A 337 -3.071 12.059 1.206 1.00 0.00 H new ATOM 0 HD2 PRO A 337 -1.024 9.884 1.504 1.00 0.00 H new ATOM 0 HD3 PRO A 337 -2.570 10.062 2.308 1.00 0.00 H new ATOM 480 N SER A 338 -2.788 9.872 -3.311 1.00 0.00 N ATOM 481 CA SER A 338 -2.303 9.342 -4.577 1.00 0.00 C ATOM 482 C SER A 338 -0.889 9.850 -4.893 1.00 0.00 C ATOM 483 O SER A 338 -0.274 9.407 -5.864 1.00 0.00 O ATOM 484 CB SER A 338 -3.261 9.723 -5.707 1.00 0.00 C ATOM 485 OG SER A 338 -4.321 8.784 -5.820 1.00 0.00 O ATOM 0 H SER A 338 -3.510 10.586 -3.404 1.00 0.00 H new ATOM 0 HA SER A 338 -2.259 8.256 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 338 -3.670 10.716 -5.521 1.00 0.00 H new ATOM 0 HB3 SER A 338 -2.715 9.774 -6.649 1.00 0.00 H new ATOM 0 HG SER A 338 -4.919 9.052 -6.548 1.00 0.00 H new ATOM 491 N ASP A 339 -0.380 10.781 -4.071 1.00 0.00 N ATOM 492 CA ASP A 339 0.957 11.342 -4.275 1.00 0.00 C ATOM 493 C ASP A 339 1.893 10.997 -3.115 1.00 0.00 C ATOM 494 O ASP A 339 3.105 10.882 -3.305 1.00 0.00 O ATOM 495 CB ASP A 339 0.869 12.862 -4.444 1.00 0.00 C ATOM 496 CG ASP A 339 0.438 13.277 -5.841 1.00 0.00 C ATOM 497 OD1 ASP A 339 -0.250 12.483 -6.519 1.00 0.00 O ATOM 498 OD2 ASP A 339 0.789 14.400 -6.257 1.00 0.00 O ATOM 0 H ASP A 339 -0.875 11.158 -3.263 1.00 0.00 H new ATOM 0 HA ASP A 339 1.370 10.900 -5.182 1.00 0.00 H new ATOM 0 HB2 ASP A 339 0.163 13.263 -3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 339 1.840 13.304 -4.222 1.00 0.00 H new ATOM 503 N ALA A 340 1.323 10.830 -1.916 1.00 0.00 N ATOM 504 CA ALA A 340 2.102 10.493 -0.728 1.00 0.00 C ATOM 505 C ALA A 340 2.974 9.263 -0.981 1.00 0.00 C ATOM 506 O ALA A 340 2.632 8.413 -1.805 1.00 0.00 O ATOM 507 CB ALA A 340 1.175 10.259 0.460 1.00 0.00 C ATOM 0 H ALA A 340 0.322 10.924 -1.747 1.00 0.00 H new ATOM 0 HA ALA A 340 2.760 11.331 -0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 340 1.767 10.008 1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 340 0.599 11.163 0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 340 0.495 9.438 0.235 1.00 0.00 H new ATOM 513 N PRO A 341 4.120 9.154 -0.281 1.00 0.00 N ATOM 514 CA PRO A 341 5.038 8.023 -0.450 1.00 0.00 C ATOM 515 C PRO A 341 4.431 6.708 0.026 1.00 0.00 C ATOM 516 O PRO A 341 3.820 6.646 1.092 1.00 0.00 O ATOM 517 CB PRO A 341 6.248 8.403 0.411 1.00 0.00 C ATOM 518 CG PRO A 341 5.727 9.383 1.404 1.00 0.00 C ATOM 519 CD PRO A 341 4.611 10.121 0.720 1.00 0.00 C ATOM 0 HA PRO A 341 5.287 7.857 -1.498 1.00 0.00 H new ATOM 0 HB2 PRO A 341 6.670 7.528 0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 341 7.041 8.840 -0.195 1.00 0.00 H new ATOM 0 HG2 PRO A 341 5.367 8.876 2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 341 6.511 10.070 1.721 1.00 0.00 H new ATOM 0 HD2 PRO A 341 3.827 10.404 1.423 1.00 0.00 H new ATOM 0 HD3 PRO A 341 4.965 11.039 0.251 1.00 0.00 H new ATOM 527 N LEU A 342 4.608 5.658 -0.775 1.00 0.00 N ATOM 528 CA LEU A 342 4.085 4.333 -0.440 1.00 0.00 C ATOM 529 C LEU A 342 4.587 3.887 0.934 1.00 0.00 C ATOM 530 O LEU A 342 3.868 3.219 1.680 1.00 0.00 O ATOM 531 CB LEU A 342 4.503 3.321 -1.513 1.00 0.00 C ATOM 532 CG LEU A 342 4.135 1.853 -1.243 1.00 0.00 C ATOM 533 CD1 LEU A 342 5.194 1.183 -0.376 1.00 0.00 C ATOM 534 CD2 LEU A 342 2.756 1.739 -0.599 1.00 0.00 C ATOM 0 H LEU A 342 5.110 5.699 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 342 2.997 4.386 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 342 4.051 3.619 -2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 342 5.583 3.385 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 342 4.099 1.335 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 342 4.914 0.145 -0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 342 6.157 1.216 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 342 5.270 1.708 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 342 2.524 0.689 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 342 2.751 2.278 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 342 2.007 2.168 -1.265 1.00 0.00 H new ATOM 546 N GLU A 343 5.823 4.269 1.263 1.00 0.00 N ATOM 547 CA GLU A 343 6.429 3.917 2.548 1.00 0.00 C ATOM 548 C GLU A 343 5.598 4.420 3.728 1.00 0.00 C ATOM 549 O GLU A 343 5.733 3.907 4.838 1.00 0.00 O ATOM 550 CB GLU A 343 7.852 4.472 2.647 1.00 0.00 C ATOM 551 CG GLU A 343 7.964 5.950 2.292 1.00 0.00 C ATOM 552 CD GLU A 343 9.288 6.566 2.709 1.00 0.00 C ATOM 553 OE1 GLU A 343 9.853 6.135 3.736 1.00 0.00 O ATOM 554 OE2 GLU A 343 9.758 7.486 2.005 1.00 0.00 O ATOM 0 H GLU A 343 6.425 4.824 0.655 1.00 0.00 H new ATOM 0 HA GLU A 343 6.462 2.829 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 343 8.220 4.323 3.662 1.00 0.00 H new ATOM 0 HB3 GLU A 343 8.502 3.899 1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 343 7.838 6.069 1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 343 7.150 6.495 2.771 1.00 0.00 H new ATOM 561 N GLU A 344 4.740 5.421 3.488 1.00 0.00 N ATOM 562 CA GLU A 344 3.891 5.978 4.543 1.00 0.00 C ATOM 563 C GLU A 344 3.245 4.864 5.368 1.00 0.00 C ATOM 564 O GLU A 344 3.145 4.966 6.590 1.00 0.00 O ATOM 565 CB GLU A 344 2.800 6.872 3.945 1.00 0.00 C ATOM 566 CG GLU A 344 3.282 8.255 3.530 1.00 0.00 C ATOM 567 CD GLU A 344 2.389 9.366 4.050 1.00 0.00 C ATOM 568 OE1 GLU A 344 1.172 9.334 3.766 1.00 0.00 O ATOM 569 OE2 GLU A 344 2.909 10.268 4.740 1.00 0.00 O ATOM 0 H GLU A 344 4.618 5.859 2.575 1.00 0.00 H new ATOM 0 HA GLU A 344 4.525 6.578 5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 344 2.373 6.372 3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 344 1.997 6.983 4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 344 4.297 8.407 3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 344 3.326 8.309 2.442 1.00 0.00 H new ATOM 576 N ALA A 345 2.816 3.795 4.691 1.00 0.00 N ATOM 577 CA ALA A 345 2.191 2.659 5.363 1.00 0.00 C ATOM 578 C ALA A 345 3.237 1.785 6.054 1.00 0.00 C ATOM 579 O ALA A 345 3.052 1.369 7.198 1.00 0.00 O ATOM 580 CB ALA A 345 1.379 1.835 4.372 1.00 0.00 C ATOM 0 H ALA A 345 2.891 3.695 3.679 1.00 0.00 H new ATOM 0 HA ALA A 345 1.518 3.048 6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 345 0.920 0.992 4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 345 0.601 2.458 3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 345 2.035 1.464 3.584 1.00 0.00 H new ATOM 586 N ARG A 346 4.338 1.513 5.351 1.00 0.00 N ATOM 587 CA ARG A 346 5.417 0.691 5.899 1.00 0.00 C ATOM 588 C ARG A 346 5.954 1.286 7.200 1.00 0.00 C ATOM 589 O ARG A 346 5.942 0.628 8.240 1.00 0.00 O ATOM 590 CB ARG A 346 6.556 0.549 4.882 1.00 0.00 C ATOM 591 CG ARG A 346 7.725 -0.286 5.383 1.00 0.00 C ATOM 592 CD ARG A 346 9.049 0.217 4.827 1.00 0.00 C ATOM 593 NE ARG A 346 9.965 -0.878 4.510 1.00 0.00 N ATOM 594 CZ ARG A 346 11.017 -0.759 3.697 1.00 0.00 C ATOM 595 NH1 ARG A 346 11.300 0.410 3.128 1.00 0.00 N ATOM 596 NH2 ARG A 346 11.790 -1.812 3.455 1.00 0.00 N ATOM 0 H ARG A 346 4.505 1.850 4.403 1.00 0.00 H new ATOM 0 HA ARG A 346 5.007 -0.296 6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 346 6.163 0.098 3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 346 6.918 1.542 4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 346 7.753 -0.258 6.472 1.00 0.00 H new ATOM 0 HG3 ARG A 346 7.580 -1.327 5.094 1.00 0.00 H new ATOM 0 HD2 ARG A 346 8.864 0.806 3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 346 9.517 0.882 5.553 1.00 0.00 H new ATOM 0 HE ARG A 346 9.789 -1.788 4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 346 10.711 1.223 3.312 1.00 0.00 H new ATOM 0 HH12 ARG A 346 12.105 0.494 2.508 1.00 0.00 H new ATOM 0 HH21 ARG A 346 11.579 -2.710 3.890 1.00 0.00 H new ATOM 0 HH22 ARG A 346 12.594 -1.722 2.834 1.00 0.00 H new ATOM 610 N GLN A 347 6.420 2.535 7.133 1.00 0.00 N ATOM 611 CA GLN A 347 6.960 3.218 8.310 1.00 0.00 C ATOM 612 C GLN A 347 5.921 3.300 9.428 1.00 0.00 C ATOM 613 O GLN A 347 6.258 3.159 10.603 1.00 0.00 O ATOM 614 CB GLN A 347 7.457 4.623 7.948 1.00 0.00 C ATOM 615 CG GLN A 347 6.473 5.437 7.118 1.00 0.00 C ATOM 616 CD GLN A 347 6.156 6.784 7.737 1.00 0.00 C ATOM 617 OE1 GLN A 347 5.452 6.769 8.864 1.00 0.00 O flip ATOM 618 NE2 GLN A 347 6.543 7.826 7.213 1.00 0.00 N flip ATOM 0 H GLN A 347 6.434 3.092 6.279 1.00 0.00 H new ATOM 0 HA GLN A 347 7.805 2.631 8.670 1.00 0.00 H new ATOM 0 HB2 GLN A 347 7.677 5.167 8.867 1.00 0.00 H new ATOM 0 HB3 GLN A 347 8.394 4.535 7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 347 6.885 5.589 6.120 1.00 0.00 H new ATOM 0 HG3 GLN A 347 5.549 4.871 6.999 1.00 0.00 H new ATOM 0 HE21 GLN A 347 7.081 7.792 6.347 1.00 0.00 H new ATOM 0 HE22 GLN A 347 6.326 8.725 7.644 1.00 0.00 H new ATOM 627 N PHE A 348 4.660 3.520 9.054 1.00 0.00 N ATOM 628 CA PHE A 348 3.571 3.611 10.025 1.00 0.00 C ATOM 629 C PHE A 348 3.447 2.318 10.827 1.00 0.00 C ATOM 630 O PHE A 348 3.524 2.333 12.055 1.00 0.00 O ATOM 631 CB PHE A 348 2.244 3.913 9.312 1.00 0.00 C ATOM 632 CG PHE A 348 1.088 4.160 10.247 1.00 0.00 C ATOM 633 CD1 PHE A 348 0.498 3.112 10.940 1.00 0.00 C ATOM 634 CD2 PHE A 348 0.594 5.442 10.435 1.00 0.00 C ATOM 635 CE1 PHE A 348 -0.564 3.339 11.796 1.00 0.00 C ATOM 636 CE2 PHE A 348 -0.467 5.674 11.290 1.00 0.00 C ATOM 637 CZ PHE A 348 -1.045 4.622 11.973 1.00 0.00 C ATOM 0 H PHE A 348 4.368 3.639 8.084 1.00 0.00 H new ATOM 0 HA PHE A 348 3.799 4.425 10.713 1.00 0.00 H new ATOM 0 HB2 PHE A 348 2.376 4.788 8.675 1.00 0.00 H new ATOM 0 HB3 PHE A 348 1.997 3.077 8.658 1.00 0.00 H new ATOM 0 HD1 PHE A 348 0.873 2.108 10.809 1.00 0.00 H new ATOM 0 HD2 PHE A 348 1.044 6.270 9.907 1.00 0.00 H new ATOM 0 HE1 PHE A 348 -1.017 2.514 12.326 1.00 0.00 H new ATOM 0 HE2 PHE A 348 -0.844 6.677 11.424 1.00 0.00 H new ATOM 0 HZ PHE A 348 -1.872 4.802 12.644 1.00 0.00 H new ATOM 647 N ALA A 349 3.260 1.202 10.121 1.00 0.00 N ATOM 648 CA ALA A 349 3.127 -0.106 10.763 1.00 0.00 C ATOM 649 C ALA A 349 4.400 -0.484 11.516 1.00 0.00 C ATOM 650 O ALA A 349 4.340 -1.026 12.621 1.00 0.00 O ATOM 651 CB ALA A 349 2.785 -1.171 9.732 1.00 0.00 C ATOM 0 H ALA A 349 3.197 1.178 9.103 1.00 0.00 H new ATOM 0 HA ALA A 349 2.314 -0.044 11.487 1.00 0.00 H new ATOM 0 HB1 ALA A 349 2.690 -2.138 10.226 1.00 0.00 H new ATOM 0 HB2 ALA A 349 1.843 -0.917 9.246 1.00 0.00 H new ATOM 0 HB3 ALA A 349 3.577 -1.222 8.985 1.00 0.00 H new ATOM 657 N ALA A 350 5.551 -0.188 10.912 1.00 0.00 N ATOM 658 CA ALA A 350 6.841 -0.489 11.527 1.00 0.00 C ATOM 659 C ALA A 350 7.043 0.325 12.802 1.00 0.00 C ATOM 660 O ALA A 350 7.667 -0.145 13.753 1.00 0.00 O ATOM 661 CB ALA A 350 7.976 -0.225 10.547 1.00 0.00 C ATOM 0 H ALA A 350 5.615 0.260 9.998 1.00 0.00 H new ATOM 0 HA ALA A 350 6.847 -1.546 11.793 1.00 0.00 H new ATOM 0 HB1 ALA A 350 8.929 -0.455 11.023 1.00 0.00 H new ATOM 0 HB2 ALA A 350 7.850 -0.854 9.666 1.00 0.00 H new ATOM 0 HB3 ALA A 350 7.963 0.823 10.249 1.00 0.00 H new ATOM 667 N GLN A 351 6.511 1.547 12.814 1.00 0.00 N ATOM 668 CA GLN A 351 6.630 2.427 13.972 1.00 0.00 C ATOM 669 C GLN A 351 5.687 1.998 15.097 1.00 0.00 C ATOM 670 O GLN A 351 5.998 2.177 16.273 1.00 0.00 O ATOM 671 CB GLN A 351 6.342 3.879 13.574 1.00 0.00 C ATOM 672 CG GLN A 351 7.597 4.678 13.257 1.00 0.00 C ATOM 673 CD GLN A 351 7.440 5.573 12.041 1.00 0.00 C ATOM 674 OE1 GLN A 351 8.479 5.630 11.216 1.00 0.00 O flip ATOM 675 NE2 GLN A 351 6.401 6.206 11.847 1.00 0.00 N flip ATOM 0 H GLN A 351 5.993 1.949 12.033 1.00 0.00 H new ATOM 0 HA GLN A 351 7.654 2.353 14.339 1.00 0.00 H new ATOM 0 HB2 GLN A 351 5.686 3.886 12.704 1.00 0.00 H new ATOM 0 HB3 GLN A 351 5.802 4.370 14.384 1.00 0.00 H new ATOM 0 HG2 GLN A 351 7.859 5.290 14.120 1.00 0.00 H new ATOM 0 HG3 GLN A 351 8.426 3.990 13.090 1.00 0.00 H new ATOM 0 HE21 GLN A 351 5.628 6.132 12.508 1.00 0.00 H new ATOM 0 HE22 GLN A 351 6.314 6.804 11.025 1.00 0.00 H new ATOM 684 N THR A 352 4.530 1.439 14.732 1.00 0.00 N ATOM 685 CA THR A 352 3.551 0.999 15.727 1.00 0.00 C ATOM 686 C THR A 352 4.133 -0.078 16.643 1.00 0.00 C ATOM 687 O THR A 352 4.215 0.111 17.858 1.00 0.00 O ATOM 688 CB THR A 352 2.277 0.470 15.052 1.00 0.00 C ATOM 689 OG1 THR A 352 2.121 1.001 13.746 1.00 0.00 O ATOM 690 CG2 THR A 352 1.017 0.789 15.826 1.00 0.00 C ATOM 0 H THR A 352 4.251 1.282 13.764 1.00 0.00 H new ATOM 0 HA THR A 352 3.295 1.869 16.332 1.00 0.00 H new ATOM 0 HB THR A 352 2.409 -0.611 15.017 1.00 0.00 H new ATOM 0 HG1 THR A 352 1.302 0.644 13.343 1.00 0.00 H new ATOM 0 HG21 THR A 352 0.153 0.388 15.296 1.00 0.00 H new ATOM 0 HG22 THR A 352 1.075 0.339 16.817 1.00 0.00 H new ATOM 0 HG23 THR A 352 0.914 1.870 15.923 1.00 0.00 H new ATOM 698 N VAL A 353 4.529 -1.207 16.058 1.00 0.00 N ATOM 699 CA VAL A 353 5.095 -2.313 16.833 1.00 0.00 C ATOM 700 C VAL A 353 6.574 -2.086 17.139 1.00 0.00 C ATOM 701 O VAL A 353 7.029 -2.340 18.256 1.00 0.00 O ATOM 702 CB VAL A 353 4.919 -3.671 16.112 1.00 0.00 C ATOM 703 CG1 VAL A 353 3.442 -3.995 15.944 1.00 0.00 C ATOM 704 CG2 VAL A 353 5.627 -3.676 14.762 1.00 0.00 C ATOM 0 H VAL A 353 4.469 -1.381 15.055 1.00 0.00 H new ATOM 0 HA VAL A 353 4.542 -2.344 17.772 1.00 0.00 H new ATOM 0 HB VAL A 353 5.377 -4.443 16.731 1.00 0.00 H new ATOM 0 HG11 VAL A 353 3.335 -4.953 15.435 1.00 0.00 H new ATOM 0 HG12 VAL A 353 2.968 -4.050 16.924 1.00 0.00 H new ATOM 0 HG13 VAL A 353 2.963 -3.215 15.352 1.00 0.00 H new ATOM 0 HG21 VAL A 353 5.485 -4.643 14.280 1.00 0.00 H new ATOM 0 HG22 VAL A 353 5.211 -2.891 14.130 1.00 0.00 H new ATOM 0 HG23 VAL A 353 6.692 -3.497 14.909 1.00 0.00 H new ATOM 714 N GLY A 354 7.319 -1.613 16.142 1.00 0.00 N ATOM 715 CA GLY A 354 8.738 -1.365 16.323 1.00 0.00 C ATOM 716 C GLY A 354 9.583 -2.587 16.018 1.00 0.00 C ATOM 717 O GLY A 354 10.559 -2.506 15.271 1.00 0.00 O ATOM 0 H GLY A 354 6.963 -1.397 15.211 1.00 0.00 H new ATOM 0 HA2 GLY A 354 9.046 -0.543 15.676 1.00 0.00 H new ATOM 0 HA3 GLY A 354 8.920 -1.048 17.350 1.00 0.00 H new ATOM 721 N ASN A 355 9.202 -3.725 16.596 1.00 0.00 N ATOM 722 CA ASN A 355 9.925 -4.976 16.385 1.00 0.00 C ATOM 723 C ASN A 355 9.060 -6.173 16.768 1.00 0.00 C ATOM 724 O ASN A 355 8.955 -6.527 17.945 1.00 0.00 O ATOM 725 CB ASN A 355 11.235 -4.992 17.183 1.00 0.00 C ATOM 726 CG ASN A 355 11.052 -4.581 18.635 1.00 0.00 C ATOM 727 OD1 ASN A 355 10.772 -3.420 18.933 1.00 0.00 O ATOM 728 ND2 ASN A 355 11.211 -5.535 19.547 1.00 0.00 N ATOM 0 H ASN A 355 8.395 -3.805 17.215 1.00 0.00 H new ATOM 0 HA ASN A 355 10.166 -5.047 15.324 1.00 0.00 H new ATOM 0 HB2 ASN A 355 11.664 -5.993 17.146 1.00 0.00 H new ATOM 0 HB3 ASN A 355 11.951 -4.321 16.709 1.00 0.00 H new ATOM 0 HD21 ASN A 355 11.101 -5.317 20.537 1.00 0.00 H new ATOM 0 HD22 ASN A 355 11.443 -6.485 19.256 1.00 0.00 H new ATOM 735 N THR A 356 8.440 -6.789 15.764 1.00 0.00 N ATOM 736 CA THR A 356 7.579 -7.949 15.990 1.00 0.00 C ATOM 737 C THR A 356 7.574 -8.883 14.780 1.00 0.00 C ATOM 738 O THR A 356 7.744 -10.095 14.925 1.00 0.00 O ATOM 739 CB THR A 356 6.147 -7.502 16.306 1.00 0.00 C ATOM 740 OG1 THR A 356 6.132 -6.546 17.354 1.00 0.00 O ATOM 741 CG2 THR A 356 5.245 -8.647 16.714 1.00 0.00 C ATOM 0 H THR A 356 8.517 -6.505 14.787 1.00 0.00 H new ATOM 0 HA THR A 356 7.981 -8.495 16.843 1.00 0.00 H new ATOM 0 HB THR A 356 5.769 -7.070 15.380 1.00 0.00 H new ATOM 0 HG1 THR A 356 5.205 -6.358 17.612 1.00 0.00 H new ATOM 0 HG21 THR A 356 4.246 -8.266 16.924 1.00 0.00 H new ATOM 0 HG22 THR A 356 5.193 -9.375 15.905 1.00 0.00 H new ATOM 0 HG23 THR A 356 5.646 -9.126 17.607 1.00 0.00 H new ATOM 749 N TYR A 357 7.373 -8.315 13.591 1.00 0.00 N ATOM 750 CA TYR A 357 7.342 -9.103 12.362 1.00 0.00 C ATOM 751 C TYR A 357 8.755 -9.416 11.866 1.00 0.00 C ATOM 752 O TYR A 357 8.972 -10.423 11.187 1.00 0.00 O ATOM 753 CB TYR A 357 6.554 -8.366 11.273 1.00 0.00 C ATOM 754 CG TYR A 357 5.183 -7.901 11.721 1.00 0.00 C ATOM 755 CD1 TYR A 357 4.111 -8.787 11.772 1.00 0.00 C ATOM 756 CD2 TYR A 357 4.961 -6.580 12.089 1.00 0.00 C ATOM 757 CE1 TYR A 357 2.859 -8.366 12.176 1.00 0.00 C ATOM 758 CE2 TYR A 357 3.711 -6.155 12.495 1.00 0.00 C ATOM 759 CZ TYR A 357 2.664 -7.049 12.536 1.00 0.00 C ATOM 760 OH TYR A 357 1.417 -6.627 12.937 1.00 0.00 O ATOM 0 H TYR A 357 7.230 -7.314 13.454 1.00 0.00 H new ATOM 0 HA TYR A 357 6.844 -10.046 12.585 1.00 0.00 H new ATOM 0 HB2 TYR A 357 7.130 -7.502 10.942 1.00 0.00 H new ATOM 0 HB3 TYR A 357 6.441 -9.023 10.411 1.00 0.00 H new ATOM 0 HD1 TYR A 357 4.260 -9.819 11.491 1.00 0.00 H new ATOM 0 HD2 TYR A 357 5.778 -5.875 12.057 1.00 0.00 H new ATOM 0 HE1 TYR A 357 2.036 -9.065 12.210 1.00 0.00 H new ATOM 0 HE2 TYR A 357 3.555 -5.125 12.779 1.00 0.00 H new ATOM 0 HH TYR A 357 1.450 -5.673 13.157 1.00 0.00 H new ATOM 770 N GLY A 358 9.715 -8.552 12.206 1.00 0.00 N ATOM 771 CA GLY A 358 11.088 -8.761 11.783 1.00 0.00 C ATOM 772 C GLY A 358 11.318 -8.343 10.344 1.00 0.00 C ATOM 773 O GLY A 358 11.198 -7.162 10.007 1.00 0.00 O ATOM 0 H GLY A 358 9.563 -7.713 12.766 1.00 0.00 H new ATOM 0 HA2 GLY A 358 11.756 -8.197 12.434 1.00 0.00 H new ATOM 0 HA3 GLY A 358 11.345 -9.814 11.898 1.00 0.00 H new ATOM 777 N ASN A 359 11.648 -9.311 9.491 1.00 0.00 N ATOM 778 CA ASN A 359 11.892 -9.035 8.079 1.00 0.00 C ATOM 779 C ASN A 359 10.666 -9.384 7.237 1.00 0.00 C ATOM 780 O ASN A 359 10.672 -10.356 6.482 1.00 0.00 O ATOM 781 CB ASN A 359 13.118 -9.812 7.584 1.00 0.00 C ATOM 782 CG ASN A 359 13.995 -8.977 6.668 1.00 0.00 C ATOM 783 OD1 ASN A 359 14.512 -7.935 7.070 1.00 0.00 O ATOM 784 ND2 ASN A 359 14.168 -9.429 5.431 1.00 0.00 N ATOM 0 H ASN A 359 11.752 -10.291 9.754 1.00 0.00 H new ATOM 0 HA ASN A 359 12.089 -7.968 7.971 1.00 0.00 H new ATOM 0 HB2 ASN A 359 13.704 -10.146 8.440 1.00 0.00 H new ATOM 0 HB3 ASN A 359 12.790 -10.706 7.054 1.00 0.00 H new ATOM 0 HD21 ASN A 359 14.748 -8.907 4.774 1.00 0.00 H new ATOM 0 HD22 ASN A 359 13.721 -10.298 5.138 1.00 0.00 H new ATOM 791 N PHE A 360 9.611 -8.580 7.373 1.00 0.00 N ATOM 792 CA PHE A 360 8.378 -8.803 6.622 1.00 0.00 C ATOM 793 C PHE A 360 8.464 -8.197 5.227 1.00 0.00 C ATOM 794 O PHE A 360 9.197 -7.234 5.000 1.00 0.00 O ATOM 795 CB PHE A 360 7.173 -8.211 7.366 1.00 0.00 C ATOM 796 CG PHE A 360 7.256 -6.723 7.578 1.00 0.00 C ATOM 797 CD1 PHE A 360 6.771 -5.846 6.620 1.00 0.00 C ATOM 798 CD2 PHE A 360 7.824 -6.203 8.731 1.00 0.00 C ATOM 799 CE1 PHE A 360 6.849 -4.480 6.809 1.00 0.00 C ATOM 800 CE2 PHE A 360 7.907 -4.838 8.923 1.00 0.00 C ATOM 801 CZ PHE A 360 7.420 -3.975 7.961 1.00 0.00 C ATOM 0 H PHE A 360 9.587 -7.771 7.994 1.00 0.00 H new ATOM 0 HA PHE A 360 8.245 -9.881 6.526 1.00 0.00 H new ATOM 0 HB2 PHE A 360 6.266 -8.438 6.806 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.080 -8.701 8.335 1.00 0.00 H new ATOM 0 HD1 PHE A 360 6.327 -6.235 5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 360 8.206 -6.873 9.487 1.00 0.00 H new ATOM 0 HE1 PHE A 360 6.464 -3.807 6.057 1.00 0.00 H new ATOM 0 HE2 PHE A 360 8.353 -4.445 9.825 1.00 0.00 H new ATOM 0 HZ PHE A 360 7.485 -2.907 8.109 1.00 0.00 H new ATOM 811 N SER A 361 7.701 -8.765 4.299 1.00 0.00 N ATOM 812 CA SER A 361 7.672 -8.281 2.927 1.00 0.00 C ATOM 813 C SER A 361 6.300 -7.699 2.595 1.00 0.00 C ATOM 814 O SER A 361 5.277 -8.324 2.870 1.00 0.00 O ATOM 815 CB SER A 361 8.015 -9.415 1.953 1.00 0.00 C ATOM 816 OG SER A 361 7.707 -9.066 0.611 1.00 0.00 O ATOM 0 H SER A 361 7.093 -9.564 4.475 1.00 0.00 H new ATOM 0 HA SER A 361 8.419 -7.494 2.824 1.00 0.00 H new ATOM 0 HB2 SER A 361 9.075 -9.655 2.032 1.00 0.00 H new ATOM 0 HB3 SER A 361 7.463 -10.313 2.231 1.00 0.00 H new ATOM 0 HG SER A 361 8.140 -8.216 0.387 1.00 0.00 H new ATOM 822 N LEU A 362 6.287 -6.506 2.001 1.00 0.00 N ATOM 823 CA LEU A 362 5.037 -5.847 1.627 1.00 0.00 C ATOM 824 C LEU A 362 4.794 -5.955 0.125 1.00 0.00 C ATOM 825 O LEU A 362 5.683 -5.663 -0.677 1.00 0.00 O ATOM 826 CB LEU A 362 5.057 -4.369 2.032 1.00 0.00 C ATOM 827 CG LEU A 362 5.587 -4.076 3.437 1.00 0.00 C ATOM 828 CD1 LEU A 362 6.216 -2.691 3.489 1.00 0.00 C ATOM 829 CD2 LEU A 362 4.470 -4.197 4.464 1.00 0.00 C ATOM 0 H LEU A 362 7.128 -5.977 1.769 1.00 0.00 H new ATOM 0 HA LEU A 362 4.229 -6.352 2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 362 5.665 -3.822 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 362 4.043 -3.976 1.956 1.00 0.00 H new ATOM 0 HG LEU A 362 6.355 -4.811 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 362 6.588 -2.498 4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 362 7.043 -2.640 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 362 5.468 -1.942 3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 362 4.865 -3.985 5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 362 3.680 -3.484 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 362 4.064 -5.208 4.443 1.00 0.00 H new ATOM 841 N ALA A 363 3.587 -6.371 -0.250 1.00 0.00 N ATOM 842 CA ALA A 363 3.224 -6.509 -1.657 1.00 0.00 C ATOM 843 C ALA A 363 1.714 -6.400 -1.844 1.00 0.00 C ATOM 844 O ALA A 363 0.943 -6.734 -0.944 1.00 0.00 O ATOM 845 CB ALA A 363 3.734 -7.833 -2.213 1.00 0.00 C ATOM 0 H ALA A 363 2.843 -6.619 0.402 1.00 0.00 H new ATOM 0 HA ALA A 363 3.695 -5.695 -2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 363 3.454 -7.919 -3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 363 4.820 -7.872 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 363 3.294 -8.657 -1.652 1.00 0.00 H new ATOM 851 N THR A 364 1.298 -5.935 -3.020 1.00 0.00 N ATOM 852 CA THR A 364 -0.123 -5.786 -3.324 1.00 0.00 C ATOM 853 C THR A 364 -0.791 -7.156 -3.481 1.00 0.00 C ATOM 854 O THR A 364 -0.113 -8.181 -3.583 1.00 0.00 O ATOM 855 CB THR A 364 -0.313 -4.946 -4.594 1.00 0.00 C ATOM 856 OG1 THR A 364 -1.680 -4.639 -4.798 1.00 0.00 O ATOM 857 CG2 THR A 364 0.198 -5.624 -5.848 1.00 0.00 C ATOM 0 H THR A 364 1.923 -5.656 -3.776 1.00 0.00 H new ATOM 0 HA THR A 364 -0.599 -5.269 -2.491 1.00 0.00 H new ATOM 0 HB THR A 364 0.273 -4.042 -4.426 1.00 0.00 H new ATOM 0 HG1 THR A 364 -1.797 -4.243 -5.687 1.00 0.00 H new ATOM 0 HG21 THR A 364 0.031 -4.974 -6.707 1.00 0.00 H new ATOM 0 HG22 THR A 364 1.265 -5.823 -5.745 1.00 0.00 H new ATOM 0 HG23 THR A 364 -0.334 -6.564 -5.996 1.00 0.00 H new ATOM 865 N MET A 365 -2.122 -7.164 -3.498 1.00 0.00 N ATOM 866 CA MET A 365 -2.880 -8.405 -3.638 1.00 0.00 C ATOM 867 C MET A 365 -2.979 -8.822 -5.106 1.00 0.00 C ATOM 868 O MET A 365 -2.490 -9.886 -5.490 1.00 0.00 O ATOM 869 CB MET A 365 -4.281 -8.248 -3.037 1.00 0.00 C ATOM 870 CG MET A 365 -4.771 -9.486 -2.306 1.00 0.00 C ATOM 871 SD MET A 365 -6.381 -9.246 -1.529 1.00 0.00 S ATOM 872 CE MET A 365 -7.048 -10.906 -1.611 1.00 0.00 C ATOM 0 H MET A 365 -2.697 -6.326 -3.417 1.00 0.00 H new ATOM 0 HA MET A 365 -2.350 -9.187 -3.094 1.00 0.00 H new ATOM 0 HB2 MET A 365 -4.278 -7.405 -2.346 1.00 0.00 H new ATOM 0 HB3 MET A 365 -4.984 -8.005 -3.834 1.00 0.00 H new ATOM 0 HG2 MET A 365 -4.832 -10.317 -3.009 1.00 0.00 H new ATOM 0 HG3 MET A 365 -4.043 -9.765 -1.544 1.00 0.00 H new ATOM 0 HE1 MET A 365 -7.898 -10.923 -2.293 1.00 0.00 H new ATOM 0 HE2 MET A 365 -6.280 -11.589 -1.972 1.00 0.00 H new ATOM 0 HE3 MET A 365 -7.373 -11.217 -0.618 1.00 0.00 H new ATOM 882 N PHE A 366 -3.616 -7.979 -5.918 1.00 0.00 N ATOM 883 CA PHE A 366 -3.783 -8.257 -7.340 1.00 0.00 C ATOM 884 C PHE A 366 -3.474 -7.013 -8.175 1.00 0.00 C ATOM 885 O PHE A 366 -4.088 -5.963 -7.981 1.00 0.00 O ATOM 886 CB PHE A 366 -5.211 -8.728 -7.623 1.00 0.00 C ATOM 887 CG PHE A 366 -5.596 -9.976 -6.883 1.00 0.00 C ATOM 888 CD1 PHE A 366 -4.995 -11.188 -7.180 1.00 0.00 C ATOM 889 CD2 PHE A 366 -6.564 -9.938 -5.892 1.00 0.00 C ATOM 890 CE1 PHE A 366 -5.346 -12.336 -6.499 1.00 0.00 C ATOM 891 CE2 PHE A 366 -6.920 -11.082 -5.207 1.00 0.00 C ATOM 892 CZ PHE A 366 -6.312 -12.285 -5.513 1.00 0.00 C ATOM 0 H PHE A 366 -4.025 -7.096 -5.612 1.00 0.00 H new ATOM 0 HA PHE A 366 -3.084 -9.046 -7.617 1.00 0.00 H new ATOM 0 HB2 PHE A 366 -5.906 -7.931 -7.358 1.00 0.00 H new ATOM 0 HB3 PHE A 366 -5.320 -8.903 -8.693 1.00 0.00 H new ATOM 0 HD1 PHE A 366 -4.243 -11.235 -7.954 1.00 0.00 H new ATOM 0 HD2 PHE A 366 -7.046 -9.001 -5.653 1.00 0.00 H new ATOM 0 HE1 PHE A 366 -4.866 -13.274 -6.737 1.00 0.00 H new ATOM 0 HE2 PHE A 366 -7.672 -11.037 -4.433 1.00 0.00 H new ATOM 0 HZ PHE A 366 -6.592 -13.183 -4.982 1.00 0.00 H new ATOM 902 N PRO A 367 -2.514 -7.113 -9.120 1.00 0.00 N ATOM 903 CA PRO A 367 -1.762 -8.345 -9.379 1.00 0.00 C ATOM 904 C PRO A 367 -0.631 -8.555 -8.371 1.00 0.00 C ATOM 905 O PRO A 367 -0.565 -7.868 -7.352 1.00 0.00 O ATOM 906 CB PRO A 367 -1.204 -8.105 -10.783 1.00 0.00 C ATOM 907 CG PRO A 367 -1.000 -6.633 -10.854 1.00 0.00 C ATOM 908 CD PRO A 367 -2.090 -6.014 -10.013 1.00 0.00 C ATOM 0 HA PRO A 367 -2.378 -9.240 -9.293 1.00 0.00 H new ATOM 0 HB2 PRO A 367 -0.269 -8.644 -10.936 1.00 0.00 H new ATOM 0 HB3 PRO A 367 -1.898 -8.447 -11.550 1.00 0.00 H new ATOM 0 HG2 PRO A 367 -0.015 -6.358 -10.477 1.00 0.00 H new ATOM 0 HG3 PRO A 367 -1.057 -6.282 -11.884 1.00 0.00 H new ATOM 0 HD2 PRO A 367 -1.721 -5.158 -9.447 1.00 0.00 H new ATOM 0 HD3 PRO A 367 -2.916 -5.657 -10.628 1.00 0.00 H new ATOM 916 N ARG A 368 0.259 -9.501 -8.661 1.00 0.00 N ATOM 917 CA ARG A 368 1.384 -9.787 -7.777 1.00 0.00 C ATOM 918 C ARG A 368 2.692 -9.290 -8.392 1.00 0.00 C ATOM 919 O ARG A 368 3.420 -10.048 -9.034 1.00 0.00 O ATOM 920 CB ARG A 368 1.465 -11.289 -7.478 1.00 0.00 C ATOM 921 CG ARG A 368 1.997 -11.605 -6.089 1.00 0.00 C ATOM 922 CD ARG A 368 1.013 -11.190 -5.004 1.00 0.00 C ATOM 923 NE ARG A 368 0.302 -12.337 -4.442 1.00 0.00 N ATOM 924 CZ ARG A 368 0.820 -13.163 -3.529 1.00 0.00 C ATOM 925 NH1 ARG A 368 2.058 -12.978 -3.075 1.00 0.00 N ATOM 926 NH2 ARG A 368 0.097 -14.180 -3.070 1.00 0.00 N ATOM 0 H ARG A 368 0.223 -10.081 -9.499 1.00 0.00 H new ATOM 0 HA ARG A 368 1.225 -9.258 -6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 368 0.473 -11.727 -7.586 1.00 0.00 H new ATOM 0 HB3 ARG A 368 2.106 -11.765 -8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 368 2.197 -12.674 -6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 368 2.946 -11.091 -5.936 1.00 0.00 H new ATOM 0 HD2 ARG A 368 1.548 -10.670 -4.209 1.00 0.00 H new ATOM 0 HD3 ARG A 368 0.293 -10.484 -5.418 1.00 0.00 H new ATOM 0 HE ARG A 368 -0.648 -12.518 -4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 368 2.619 -12.201 -3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 368 2.446 -13.614 -2.378 1.00 0.00 H new ATOM 0 HH21 ARG A 368 -0.851 -14.328 -3.415 1.00 0.00 H new ATOM 0 HH22 ARG A 368 0.491 -14.812 -2.373 1.00 0.00 H new ATOM 940 N ARG A 369 2.978 -8.004 -8.190 1.00 0.00 N ATOM 941 CA ARG A 369 4.195 -7.392 -8.725 1.00 0.00 C ATOM 942 C ARG A 369 5.268 -7.207 -7.645 1.00 0.00 C ATOM 943 O ARG A 369 6.353 -6.701 -7.933 1.00 0.00 O ATOM 944 CB ARG A 369 3.864 -6.041 -9.367 1.00 0.00 C ATOM 945 CG ARG A 369 3.372 -4.992 -8.379 1.00 0.00 C ATOM 946 CD ARG A 369 2.657 -3.852 -9.085 1.00 0.00 C ATOM 947 NE ARG A 369 1.323 -3.613 -8.534 1.00 0.00 N ATOM 948 CZ ARG A 369 1.092 -2.963 -7.391 1.00 0.00 C ATOM 949 NH1 ARG A 369 2.103 -2.517 -6.648 1.00 0.00 N ATOM 950 NH2 ARG A 369 -0.158 -2.766 -6.985 1.00 0.00 N ATOM 0 H ARG A 369 2.384 -7.366 -7.660 1.00 0.00 H new ATOM 0 HA ARG A 369 4.598 -8.069 -9.479 1.00 0.00 H new ATOM 0 HB2 ARG A 369 4.753 -5.662 -9.871 1.00 0.00 H new ATOM 0 HB3 ARG A 369 3.102 -6.190 -10.132 1.00 0.00 H new ATOM 0 HG2 ARG A 369 2.697 -5.456 -7.660 1.00 0.00 H new ATOM 0 HG3 ARG A 369 4.217 -4.598 -7.814 1.00 0.00 H new ATOM 0 HD2 ARG A 369 3.252 -2.943 -8.999 1.00 0.00 H new ATOM 0 HD3 ARG A 369 2.574 -4.080 -10.148 1.00 0.00 H new ATOM 0 HE ARG A 369 0.520 -3.965 -9.055 1.00 0.00 H new ATOM 0 HH11 ARG A 369 3.065 -2.671 -6.951 1.00 0.00 H new ATOM 0 HH12 ARG A 369 1.916 -2.022 -5.776 1.00 0.00 H new ATOM 0 HH21 ARG A 369 -0.937 -3.111 -7.546 1.00 0.00 H new ATOM 0 HH22 ARG A 369 -0.339 -2.270 -6.112 1.00 0.00 H new ATOM 964 N GLU A 370 4.964 -7.613 -6.407 1.00 0.00 N ATOM 965 CA GLU A 370 5.909 -7.485 -5.300 1.00 0.00 C ATOM 966 C GLU A 370 6.254 -6.014 -5.041 1.00 0.00 C ATOM 967 O GLU A 370 5.534 -5.112 -5.476 1.00 0.00 O ATOM 968 CB GLU A 370 7.183 -8.290 -5.593 1.00 0.00 C ATOM 969 CG GLU A 370 7.637 -9.162 -4.429 1.00 0.00 C ATOM 970 CD GLU A 370 9.005 -9.787 -4.649 1.00 0.00 C ATOM 971 OE1 GLU A 370 9.368 -10.038 -5.818 1.00 0.00 O ATOM 972 OE2 GLU A 370 9.710 -10.032 -3.648 1.00 0.00 O ATOM 0 H GLU A 370 4.070 -8.032 -6.150 1.00 0.00 H new ATOM 0 HA GLU A 370 5.439 -7.886 -4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 370 7.010 -8.923 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 370 7.986 -7.601 -5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 370 7.661 -8.561 -3.520 1.00 0.00 H new ATOM 0 HG3 GLU A 370 6.905 -9.953 -4.268 1.00 0.00 H new ATOM 979 N PHE A 371 7.357 -5.784 -4.325 1.00 0.00 N ATOM 980 CA PHE A 371 7.801 -4.431 -4.000 1.00 0.00 C ATOM 981 C PHE A 371 9.171 -4.139 -4.612 1.00 0.00 C ATOM 982 O PHE A 371 9.761 -4.990 -5.280 1.00 0.00 O ATOM 983 CB PHE A 371 7.862 -4.248 -2.480 1.00 0.00 C ATOM 984 CG PHE A 371 8.965 -5.031 -1.819 1.00 0.00 C ATOM 985 CD1 PHE A 371 8.782 -6.363 -1.479 1.00 0.00 C ATOM 986 CD2 PHE A 371 10.186 -4.436 -1.542 1.00 0.00 C ATOM 987 CE1 PHE A 371 9.794 -7.083 -0.874 1.00 0.00 C ATOM 988 CE2 PHE A 371 11.200 -5.152 -0.937 1.00 0.00 C ATOM 989 CZ PHE A 371 11.004 -6.477 -0.603 1.00 0.00 C ATOM 0 H PHE A 371 7.959 -6.521 -3.959 1.00 0.00 H new ATOM 0 HA PHE A 371 7.081 -3.729 -4.421 1.00 0.00 H new ATOM 0 HB2 PHE A 371 7.995 -3.190 -2.256 1.00 0.00 H new ATOM 0 HB3 PHE A 371 6.907 -4.548 -2.048 1.00 0.00 H new ATOM 0 HD1 PHE A 371 7.838 -6.843 -1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 371 10.346 -3.400 -1.802 1.00 0.00 H new ATOM 0 HE1 PHE A 371 9.638 -8.119 -0.613 1.00 0.00 H new ATOM 0 HE2 PHE A 371 12.146 -4.676 -0.725 1.00 0.00 H new ATOM 0 HZ PHE A 371 11.796 -7.039 -0.130 1.00 0.00 H new ATOM 999 N THR A 372 9.669 -2.928 -4.369 1.00 0.00 N ATOM 1000 CA THR A 372 10.969 -2.510 -4.883 1.00 0.00 C ATOM 1001 C THR A 372 11.517 -1.329 -4.081 1.00 0.00 C ATOM 1002 O THR A 372 10.904 -0.896 -3.107 1.00 0.00 O ATOM 1003 CB THR A 372 10.865 -2.140 -6.370 1.00 0.00 C ATOM 1004 OG1 THR A 372 9.521 -1.876 -6.742 1.00 0.00 O ATOM 1005 CG2 THR A 372 11.386 -3.222 -7.288 1.00 0.00 C ATOM 0 H THR A 372 9.189 -2.218 -3.817 1.00 0.00 H new ATOM 0 HA THR A 372 11.660 -3.346 -4.778 1.00 0.00 H new ATOM 0 HB THR A 372 11.483 -1.249 -6.484 1.00 0.00 H new ATOM 0 HG1 THR A 372 9.485 -1.642 -7.693 1.00 0.00 H new ATOM 0 HG21 THR A 372 11.285 -2.900 -8.324 1.00 0.00 H new ATOM 0 HG22 THR A 372 12.437 -3.411 -7.068 1.00 0.00 H new ATOM 0 HG23 THR A 372 10.813 -4.136 -7.135 1.00 0.00 H new ATOM 1013 N LYS A 373 12.674 -0.812 -4.495 1.00 0.00 N ATOM 1014 CA LYS A 373 13.294 0.318 -3.807 1.00 0.00 C ATOM 1015 C LYS A 373 12.613 1.632 -4.189 1.00 0.00 C ATOM 1016 O LYS A 373 12.537 2.558 -3.380 1.00 0.00 O ATOM 1017 CB LYS A 373 14.790 0.392 -4.131 1.00 0.00 C ATOM 1018 CG LYS A 373 15.671 0.601 -2.907 1.00 0.00 C ATOM 1019 CD LYS A 373 16.418 1.927 -2.967 1.00 0.00 C ATOM 1020 CE LYS A 373 17.864 1.734 -3.403 1.00 0.00 C ATOM 1021 NZ LYS A 373 18.312 2.799 -4.345 1.00 0.00 N ATOM 0 H LYS A 373 13.198 -1.156 -5.300 1.00 0.00 H new ATOM 0 HA LYS A 373 13.172 0.163 -2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 373 15.090 -0.529 -4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 373 14.961 1.207 -4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 373 15.056 0.571 -2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 373 16.388 -0.217 -2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 373 15.914 2.599 -3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 373 16.393 2.405 -1.987 1.00 0.00 H new ATOM 0 HE2 LYS A 373 18.510 1.732 -2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 373 17.972 0.760 -3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 19.302 2.629 -4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 17.713 2.785 -5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 18.235 3.727 -3.882 1.00 0.00 H new ATOM 1035 N GLU A 374 12.124 1.709 -5.426 1.00 0.00 N ATOM 1036 CA GLU A 374 11.456 2.912 -5.913 1.00 0.00 C ATOM 1037 C GLU A 374 9.973 2.933 -5.534 1.00 0.00 C ATOM 1038 O GLU A 374 9.377 4.003 -5.420 1.00 0.00 O ATOM 1039 CB GLU A 374 11.605 3.020 -7.431 1.00 0.00 C ATOM 1040 CG GLU A 374 12.471 4.187 -7.872 1.00 0.00 C ATOM 1041 CD GLU A 374 12.847 4.119 -9.338 1.00 0.00 C ATOM 1042 OE1 GLU A 374 13.787 3.369 -9.674 1.00 0.00 O ATOM 1043 OE2 GLU A 374 12.204 4.817 -10.148 1.00 0.00 O ATOM 0 H GLU A 374 12.179 0.952 -6.108 1.00 0.00 H new ATOM 0 HA GLU A 374 11.935 3.768 -5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 374 12.035 2.094 -7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 374 10.617 3.121 -7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 374 11.940 5.120 -7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 374 13.379 4.208 -7.269 1.00 0.00 H new ATOM 1050 N ASP A 375 9.380 1.752 -5.352 1.00 0.00 N ATOM 1051 CA ASP A 375 7.962 1.648 -5.001 1.00 0.00 C ATOM 1052 C ASP A 375 7.630 2.403 -3.714 1.00 0.00 C ATOM 1053 O ASP A 375 6.513 2.893 -3.554 1.00 0.00 O ATOM 1054 CB ASP A 375 7.554 0.178 -4.853 1.00 0.00 C ATOM 1055 CG ASP A 375 7.004 -0.418 -6.138 1.00 0.00 C ATOM 1056 OD1 ASP A 375 7.359 0.076 -7.231 1.00 0.00 O ATOM 1057 OD2 ASP A 375 6.214 -1.383 -6.051 1.00 0.00 O ATOM 0 H ASP A 375 9.858 0.855 -5.442 1.00 0.00 H new ATOM 0 HA ASP A 375 7.398 2.106 -5.814 1.00 0.00 H new ATOM 0 HB2 ASP A 375 8.418 -0.403 -4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 375 6.802 0.093 -4.068 1.00 0.00 H new ATOM 1062 N TYR A 376 8.593 2.490 -2.799 1.00 0.00 N ATOM 1063 CA TYR A 376 8.382 3.180 -1.527 1.00 0.00 C ATOM 1064 C TYR A 376 8.533 4.691 -1.689 1.00 0.00 C ATOM 1065 O TYR A 376 7.646 5.455 -1.308 1.00 0.00 O ATOM 1066 CB TYR A 376 9.362 2.663 -0.470 1.00 0.00 C ATOM 1067 CG TYR A 376 9.106 1.231 -0.047 1.00 0.00 C ATOM 1068 CD1 TYR A 376 9.287 0.182 -0.939 1.00 0.00 C ATOM 1069 CD2 TYR A 376 8.688 0.926 1.244 1.00 0.00 C ATOM 1070 CE1 TYR A 376 9.061 -1.126 -0.561 1.00 0.00 C ATOM 1071 CE2 TYR A 376 8.459 -0.382 1.629 1.00 0.00 C ATOM 1072 CZ TYR A 376 8.647 -1.404 0.723 1.00 0.00 C ATOM 1073 OH TYR A 376 8.421 -2.707 1.103 1.00 0.00 O ATOM 0 H TYR A 376 9.525 2.092 -2.914 1.00 0.00 H new ATOM 0 HA TYR A 376 7.364 2.973 -1.198 1.00 0.00 H new ATOM 0 HB2 TYR A 376 10.377 2.741 -0.860 1.00 0.00 H new ATOM 0 HB3 TYR A 376 9.308 3.307 0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 376 9.611 0.394 -1.947 1.00 0.00 H new ATOM 0 HD2 TYR A 376 8.540 1.724 1.957 1.00 0.00 H new ATOM 0 HE1 TYR A 376 9.208 -1.928 -1.269 1.00 0.00 H new ATOM 0 HE2 TYR A 376 8.134 -0.602 2.635 1.00 0.00 H new ATOM 0 HH TYR A 376 8.850 -3.313 0.464 1.00 0.00 H new ATOM 1083 N LYS A 377 9.666 5.112 -2.251 1.00 0.00 N ATOM 1084 CA LYS A 377 9.941 6.536 -2.462 1.00 0.00 C ATOM 1085 C LYS A 377 8.878 7.195 -3.347 1.00 0.00 C ATOM 1086 O LYS A 377 8.517 8.351 -3.129 1.00 0.00 O ATOM 1087 CB LYS A 377 11.334 6.741 -3.077 1.00 0.00 C ATOM 1088 CG LYS A 377 11.600 5.907 -4.325 1.00 0.00 C ATOM 1089 CD LYS A 377 11.119 6.610 -5.586 1.00 0.00 C ATOM 1090 CE LYS A 377 12.269 7.247 -6.349 1.00 0.00 C ATOM 1091 NZ LYS A 377 12.933 8.326 -5.563 1.00 0.00 N ATOM 0 H LYS A 377 10.409 4.489 -2.569 1.00 0.00 H new ATOM 0 HA LYS A 377 9.911 7.015 -1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 377 11.456 7.795 -3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 377 12.088 6.501 -2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 377 12.668 5.705 -4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 377 11.099 4.943 -4.232 1.00 0.00 H new ATOM 0 HD2 LYS A 377 10.608 5.894 -6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 377 10.390 7.376 -5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 377 13.002 6.482 -6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 377 11.897 7.659 -7.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 377 13.678 8.767 -6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 377 12.230 9.044 -5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 377 13.355 7.920 -4.704 1.00 0.00 H new ATOM 1105 N LYS A 378 8.385 6.459 -4.348 1.00 0.00 N ATOM 1106 CA LYS A 378 7.371 6.985 -5.261 1.00 0.00 C ATOM 1107 C LYS A 378 5.998 7.059 -4.589 1.00 0.00 C ATOM 1108 O LYS A 378 5.821 6.598 -3.459 1.00 0.00 O ATOM 1109 CB LYS A 378 7.292 6.126 -6.530 1.00 0.00 C ATOM 1110 CG LYS A 378 6.643 4.765 -6.314 1.00 0.00 C ATOM 1111 CD LYS A 378 6.845 3.853 -7.514 1.00 0.00 C ATOM 1112 CE LYS A 378 5.586 3.068 -7.835 1.00 0.00 C ATOM 1113 NZ LYS A 378 5.430 2.838 -9.298 1.00 0.00 N ATOM 0 H LYS A 378 8.672 5.500 -4.545 1.00 0.00 H new ATOM 0 HA LYS A 378 7.668 7.997 -5.536 1.00 0.00 H new ATOM 0 HB2 LYS A 378 6.730 6.669 -7.290 1.00 0.00 H new ATOM 0 HB3 LYS A 378 8.299 5.980 -6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 378 7.065 4.297 -5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 378 5.577 4.895 -6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 378 7.134 4.448 -8.380 1.00 0.00 H new ATOM 0 HD3 LYS A 378 7.664 3.163 -7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 378 5.615 2.109 -7.318 1.00 0.00 H new ATOM 0 HE3 LYS A 378 4.717 3.607 -7.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 378 4.457 2.532 -9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 378 5.629 3.720 -9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 378 6.095 2.100 -9.606 1.00 0.00 H new ATOM 1127 N LYS A 379 5.030 7.646 -5.295 1.00 0.00 N ATOM 1128 CA LYS A 379 3.669 7.787 -4.774 1.00 0.00 C ATOM 1129 C LYS A 379 2.945 6.439 -4.736 1.00 0.00 C ATOM 1130 O LYS A 379 3.509 5.408 -5.111 1.00 0.00 O ATOM 1131 CB LYS A 379 2.873 8.789 -5.617 1.00 0.00 C ATOM 1132 CG LYS A 379 2.702 8.371 -7.067 1.00 0.00 C ATOM 1133 CD LYS A 379 2.699 9.575 -7.995 1.00 0.00 C ATOM 1134 CE LYS A 379 2.091 9.232 -9.347 1.00 0.00 C ATOM 1135 NZ LYS A 379 3.062 9.427 -10.461 1.00 0.00 N ATOM 0 H LYS A 379 5.163 8.032 -6.230 1.00 0.00 H new ATOM 0 HA LYS A 379 3.742 8.161 -3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 379 1.889 8.925 -5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 379 3.374 9.756 -5.584 1.00 0.00 H new ATOM 0 HG2 LYS A 379 3.508 7.694 -7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 379 1.768 7.820 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 379 2.136 10.388 -7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 379 3.719 9.932 -8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 379 1.751 8.196 -9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 379 1.213 9.855 -9.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 379 2.663 9.041 -11.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 379 3.251 10.442 -10.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 379 3.950 8.934 -10.238 1.00 0.00 H new ATOM 1149 N LEU A 380 1.695 6.454 -4.274 1.00 0.00 N ATOM 1150 CA LEU A 380 0.898 5.233 -4.178 1.00 0.00 C ATOM 1151 C LEU A 380 0.171 4.926 -5.486 1.00 0.00 C ATOM 1152 O LEU A 380 0.329 3.840 -6.041 1.00 0.00 O ATOM 1153 CB LEU A 380 -0.110 5.339 -3.029 1.00 0.00 C ATOM 1154 CG LEU A 380 0.424 4.915 -1.659 1.00 0.00 C ATOM 1155 CD1 LEU A 380 0.985 6.114 -0.909 1.00 0.00 C ATOM 1156 CD2 LEU A 380 -0.670 4.236 -0.848 1.00 0.00 C ATOM 0 H LEU A 380 1.214 7.297 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 380 1.585 4.411 -3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 380 -0.457 6.370 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 380 -0.978 4.725 -3.270 1.00 0.00 H new ATOM 0 HG LEU A 380 1.232 4.199 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 380 1.360 5.792 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 380 1.799 6.555 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 380 0.198 6.855 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 380 -0.273 3.941 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 380 -1.500 4.928 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 380 -1.022 3.352 -1.380 1.00 0.00 H new ATOM 1168 N LEU A 381 -0.630 5.879 -5.971 1.00 0.00 N ATOM 1169 CA LEU A 381 -1.388 5.688 -7.216 1.00 0.00 C ATOM 1170 C LEU A 381 -0.507 5.154 -8.351 1.00 0.00 C ATOM 1171 O LEU A 381 -1.004 4.485 -9.258 1.00 0.00 O ATOM 1172 CB LEU A 381 -2.083 6.993 -7.638 1.00 0.00 C ATOM 1173 CG LEU A 381 -1.487 7.718 -8.857 1.00 0.00 C ATOM 1174 CD1 LEU A 381 -1.998 7.112 -10.159 1.00 0.00 C ATOM 1175 CD2 LEU A 381 -1.814 9.202 -8.800 1.00 0.00 C ATOM 0 H LEU A 381 -0.772 6.786 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 381 -2.150 4.935 -7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 381 -3.129 6.771 -7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 381 -2.068 7.679 -6.791 1.00 0.00 H new ATOM 0 HG LEU A 381 -0.404 7.594 -8.829 1.00 0.00 H new ATOM 0 HD11 LEU A 381 -1.561 7.644 -11.004 1.00 0.00 H new ATOM 0 HD12 LEU A 381 -1.715 6.060 -10.206 1.00 0.00 H new ATOM 0 HD13 LEU A 381 -3.084 7.198 -10.199 1.00 0.00 H new ATOM 0 HD21 LEU A 381 -1.386 9.702 -9.669 1.00 0.00 H new ATOM 0 HD22 LEU A 381 -2.896 9.336 -8.800 1.00 0.00 H new ATOM 0 HD23 LEU A 381 -1.395 9.632 -7.890 1.00 0.00 H new ATOM 1187 N ASP A 382 0.797 5.440 -8.295 1.00 0.00 N ATOM 1188 CA ASP A 382 1.733 4.972 -9.319 1.00 0.00 C ATOM 1189 C ASP A 382 1.584 3.464 -9.552 1.00 0.00 C ATOM 1190 O ASP A 382 1.813 2.975 -10.658 1.00 0.00 O ATOM 1191 CB ASP A 382 3.176 5.297 -8.913 1.00 0.00 C ATOM 1192 CG ASP A 382 3.832 6.324 -9.819 1.00 0.00 C ATOM 1193 OD1 ASP A 382 3.515 6.348 -11.027 1.00 0.00 O ATOM 1194 OD2 ASP A 382 4.668 7.105 -9.319 1.00 0.00 O ATOM 0 H ASP A 382 1.227 5.992 -7.553 1.00 0.00 H new ATOM 0 HA ASP A 382 1.499 5.490 -10.249 1.00 0.00 H new ATOM 0 HB2 ASP A 382 3.184 5.667 -7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 382 3.766 4.381 -8.925 1.00 0.00 H new ATOM 1199 N LEU A 383 1.190 2.735 -8.503 1.00 0.00 N ATOM 1200 CA LEU A 383 0.999 1.288 -8.595 1.00 0.00 C ATOM 1201 C LEU A 383 -0.488 0.920 -8.487 1.00 0.00 C ATOM 1202 O LEU A 383 -0.827 -0.208 -8.124 1.00 0.00 O ATOM 1203 CB LEU A 383 1.795 0.576 -7.498 1.00 0.00 C ATOM 1204 CG LEU A 383 3.264 0.990 -7.375 1.00 0.00 C ATOM 1205 CD1 LEU A 383 3.746 0.831 -5.940 1.00 0.00 C ATOM 1206 CD2 LEU A 383 4.132 0.176 -8.325 1.00 0.00 C ATOM 0 H LEU A 383 0.998 3.126 -7.581 1.00 0.00 H new ATOM 0 HA LEU A 383 1.363 0.962 -9.569 1.00 0.00 H new ATOM 0 HB2 LEU A 383 1.304 0.756 -6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 383 1.752 -0.498 -7.681 1.00 0.00 H new ATOM 0 HG LEU A 383 3.348 2.041 -7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 383 4.792 1.130 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 383 3.146 1.460 -5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 383 3.646 -0.211 -5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 383 5.172 0.485 -8.223 1.00 0.00 H new ATOM 0 HD22 LEU A 383 4.043 -0.883 -8.083 1.00 0.00 H new ATOM 0 HD23 LEU A 383 3.803 0.342 -9.351 1.00 0.00 H new ATOM 1218 N GLU A 384 -1.366 1.878 -8.810 1.00 0.00 N ATOM 1219 CA GLU A 384 -2.813 1.666 -8.757 1.00 0.00 C ATOM 1220 C GLU A 384 -3.272 1.278 -7.350 1.00 0.00 C ATOM 1221 O GLU A 384 -3.533 0.105 -7.073 1.00 0.00 O ATOM 1222 CB GLU A 384 -3.233 0.591 -9.766 1.00 0.00 C ATOM 1223 CG GLU A 384 -3.406 1.117 -11.186 1.00 0.00 C ATOM 1224 CD GLU A 384 -4.860 1.323 -11.569 1.00 0.00 C ATOM 1225 OE1 GLU A 384 -5.667 1.690 -10.688 1.00 0.00 O ATOM 1226 OE2 GLU A 384 -5.194 1.120 -12.758 1.00 0.00 O ATOM 0 H GLU A 384 -1.094 2.813 -9.113 1.00 0.00 H new ATOM 0 HA GLU A 384 -3.295 2.608 -9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 384 -2.485 -0.202 -9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 384 -4.171 0.143 -9.437 1.00 0.00 H new ATOM 0 HG2 GLU A 384 -2.873 2.062 -11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 384 -2.947 0.418 -11.885 1.00 0.00 H new ATOM 1233 N LEU A 385 -3.370 2.267 -6.464 1.00 0.00 N ATOM 1234 CA LEU A 385 -3.803 2.019 -5.087 1.00 0.00 C ATOM 1235 C LEU A 385 -5.185 2.617 -4.831 1.00 0.00 C ATOM 1236 O LEU A 385 -5.972 2.068 -4.060 1.00 0.00 O ATOM 1237 CB LEU A 385 -2.794 2.600 -4.090 1.00 0.00 C ATOM 1238 CG LEU A 385 -1.547 1.738 -3.833 1.00 0.00 C ATOM 1239 CD1 LEU A 385 -1.927 0.405 -3.210 1.00 0.00 C ATOM 1240 CD2 LEU A 385 -0.766 1.510 -5.119 1.00 0.00 C ATOM 0 H LEU A 385 -3.157 3.243 -6.671 1.00 0.00 H new ATOM 0 HA LEU A 385 -3.859 0.940 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 385 -2.471 3.576 -4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -3.302 2.765 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 385 -0.911 2.280 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -1.027 -0.186 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -2.434 0.578 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -2.593 -0.135 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 385 0.111 0.898 -4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -1.400 0.999 -5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -0.449 2.470 -5.527 1.00 0.00 H new ATOM 1252 N ALA A 386 -5.475 3.743 -5.484 1.00 0.00 N ATOM 1253 CA ALA A 386 -6.763 4.411 -5.327 1.00 0.00 C ATOM 1254 C ALA A 386 -7.829 3.755 -6.204 1.00 0.00 C ATOM 1255 O ALA A 386 -7.534 3.293 -7.307 1.00 0.00 O ATOM 1256 CB ALA A 386 -6.634 5.889 -5.661 1.00 0.00 C ATOM 0 H ALA A 386 -4.834 4.210 -6.126 1.00 0.00 H new ATOM 0 HA ALA A 386 -7.075 4.313 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 386 -7.602 6.375 -5.540 1.00 0.00 H new ATOM 0 HB2 ALA A 386 -5.909 6.351 -4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 386 -6.298 6.001 -6.692 1.00 0.00 H new ATOM 1262 N PRO A 387 -9.089 3.697 -5.725 1.00 0.00 N ATOM 1263 CA PRO A 387 -9.487 4.232 -4.421 1.00 0.00 C ATOM 1264 C PRO A 387 -9.314 3.231 -3.272 1.00 0.00 C ATOM 1265 O PRO A 387 -9.537 3.578 -2.112 1.00 0.00 O ATOM 1266 CB PRO A 387 -10.963 4.543 -4.639 1.00 0.00 C ATOM 1267 CG PRO A 387 -11.432 3.500 -5.600 1.00 0.00 C ATOM 1268 CD PRO A 387 -10.236 3.103 -6.435 1.00 0.00 C ATOM 0 HA PRO A 387 -8.876 5.084 -4.123 1.00 0.00 H new ATOM 0 HB2 PRO A 387 -11.520 4.498 -3.703 1.00 0.00 H new ATOM 0 HB3 PRO A 387 -11.101 5.545 -5.044 1.00 0.00 H new ATOM 0 HG2 PRO A 387 -11.835 2.638 -5.068 1.00 0.00 H new ATOM 0 HG3 PRO A 387 -12.232 3.888 -6.231 1.00 0.00 H new ATOM 0 HD2 PRO A 387 -10.142 2.019 -6.507 1.00 0.00 H new ATOM 0 HD3 PRO A 387 -10.316 3.485 -7.453 1.00 0.00 H new ATOM 1276 N SER A 388 -8.926 1.993 -3.592 1.00 0.00 N ATOM 1277 CA SER A 388 -8.735 0.966 -2.567 1.00 0.00 C ATOM 1278 C SER A 388 -7.680 -0.059 -2.989 1.00 0.00 C ATOM 1279 O SER A 388 -7.523 -0.352 -4.175 1.00 0.00 O ATOM 1280 CB SER A 388 -10.063 0.263 -2.266 1.00 0.00 C ATOM 1281 OG SER A 388 -10.587 -0.365 -3.423 1.00 0.00 O ATOM 0 H SER A 388 -8.740 1.681 -4.545 1.00 0.00 H new ATOM 0 HA SER A 388 -8.378 1.461 -1.663 1.00 0.00 H new ATOM 0 HB2 SER A 388 -9.914 -0.480 -1.482 1.00 0.00 H new ATOM 0 HB3 SER A 388 -10.783 0.988 -1.886 1.00 0.00 H new ATOM 0 HG SER A 388 -11.433 -0.807 -3.201 1.00 0.00 H new ATOM 1287 N ALA A 389 -6.957 -0.594 -2.002 1.00 0.00 N ATOM 1288 CA ALA A 389 -5.908 -1.579 -2.253 1.00 0.00 C ATOM 1289 C ALA A 389 -5.672 -2.470 -1.029 1.00 0.00 C ATOM 1290 O ALA A 389 -6.088 -2.135 0.083 1.00 0.00 O ATOM 1291 CB ALA A 389 -4.619 -0.874 -2.643 1.00 0.00 C ATOM 0 H ALA A 389 -7.082 -0.358 -1.017 1.00 0.00 H new ATOM 0 HA ALA A 389 -6.234 -2.218 -3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -3.841 -1.615 -2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -4.784 -0.287 -3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -4.306 -0.214 -1.834 1.00 0.00 H new ATOM 1297 N SER A 390 -4.995 -3.600 -1.241 1.00 0.00 N ATOM 1298 CA SER A 390 -4.697 -4.536 -0.157 1.00 0.00 C ATOM 1299 C SER A 390 -3.219 -4.923 -0.154 1.00 0.00 C ATOM 1300 O SER A 390 -2.599 -5.053 -1.212 1.00 0.00 O ATOM 1301 CB SER A 390 -5.560 -5.794 -0.290 1.00 0.00 C ATOM 1302 OG SER A 390 -6.124 -6.161 0.957 1.00 0.00 O ATOM 0 H SER A 390 -4.643 -3.889 -2.154 1.00 0.00 H new ATOM 0 HA SER A 390 -4.925 -4.039 0.786 1.00 0.00 H new ATOM 0 HB2 SER A 390 -6.355 -5.618 -1.014 1.00 0.00 H new ATOM 0 HB3 SER A 390 -4.955 -6.615 -0.674 1.00 0.00 H new ATOM 0 HG SER A 390 -6.672 -6.966 0.844 1.00 0.00 H new ATOM 1308 N VAL A 391 -2.661 -5.108 1.043 1.00 0.00 N ATOM 1309 CA VAL A 391 -1.254 -5.482 1.186 1.00 0.00 C ATOM 1310 C VAL A 391 -1.116 -6.906 1.731 1.00 0.00 C ATOM 1311 O VAL A 391 -2.086 -7.493 2.213 1.00 0.00 O ATOM 1312 CB VAL A 391 -0.493 -4.505 2.123 1.00 0.00 C ATOM 1313 CG1 VAL A 391 -1.005 -3.083 1.961 1.00 0.00 C ATOM 1314 CG2 VAL A 391 -0.609 -4.939 3.575 1.00 0.00 C ATOM 0 H VAL A 391 -3.161 -5.005 1.926 1.00 0.00 H new ATOM 0 HA VAL A 391 -0.813 -5.430 0.191 1.00 0.00 H new ATOM 0 HB VAL A 391 0.559 -4.529 1.837 1.00 0.00 H new ATOM 0 HG11 VAL A 391 -0.455 -2.420 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 391 -0.862 -2.760 0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 391 -2.066 -3.048 2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 391 -0.067 -4.237 4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 391 -1.659 -4.955 3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 391 -0.184 -5.936 3.692 1.00 0.00 H new ATOM 1324 N VAL A 392 0.099 -7.447 1.664 1.00 0.00 N ATOM 1325 CA VAL A 392 0.374 -8.791 2.165 1.00 0.00 C ATOM 1326 C VAL A 392 1.628 -8.789 3.038 1.00 0.00 C ATOM 1327 O VAL A 392 2.711 -8.436 2.574 1.00 0.00 O ATOM 1328 CB VAL A 392 0.554 -9.813 1.017 1.00 0.00 C ATOM 1329 CG1 VAL A 392 -0.704 -9.888 0.163 1.00 0.00 C ATOM 1330 CG2 VAL A 392 1.766 -9.469 0.162 1.00 0.00 C ATOM 0 H VAL A 392 0.910 -6.973 1.266 1.00 0.00 H new ATOM 0 HA VAL A 392 -0.490 -9.092 2.757 1.00 0.00 H new ATOM 0 HB VAL A 392 0.726 -10.793 1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 392 -0.557 -10.612 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 392 -1.546 -10.198 0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 392 -0.911 -8.908 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 392 1.868 -10.204 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 392 1.636 -8.477 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 392 2.663 -9.479 0.781 1.00 0.00 H new ATOM 1340 N LEU A 393 1.474 -9.173 4.305 1.00 0.00 N ATOM 1341 CA LEU A 393 2.601 -9.203 5.236 1.00 0.00 C ATOM 1342 C LEU A 393 3.318 -10.550 5.184 1.00 0.00 C ATOM 1343 O LEU A 393 2.694 -11.600 5.346 1.00 0.00 O ATOM 1344 CB LEU A 393 2.127 -8.914 6.661 1.00 0.00 C ATOM 1345 CG LEU A 393 2.891 -7.799 7.377 1.00 0.00 C ATOM 1346 CD1 LEU A 393 2.237 -6.451 7.114 1.00 0.00 C ATOM 1347 CD2 LEU A 393 2.969 -8.076 8.869 1.00 0.00 C ATOM 0 H LEU A 393 0.584 -9.466 4.709 1.00 0.00 H new ATOM 0 HA LEU A 393 3.305 -8.428 4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 393 1.070 -8.650 6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 393 2.210 -9.828 7.249 1.00 0.00 H new ATOM 0 HG LEU A 393 3.907 -7.770 6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 393 2.794 -5.669 7.631 1.00 0.00 H new ATOM 0 HD12 LEU A 393 2.238 -6.249 6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 393 1.210 -6.467 7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 393 3.516 -7.271 9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 393 1.962 -8.134 9.281 1.00 0.00 H new ATOM 0 HD23 LEU A 393 3.485 -9.021 9.037 1.00 0.00 H new ATOM 1359 N LEU A 394 4.634 -10.513 4.960 1.00 0.00 N ATOM 1360 CA LEU A 394 5.437 -11.731 4.889 1.00 0.00 C ATOM 1361 C LEU A 394 6.544 -11.750 5.955 1.00 0.00 C ATOM 1362 O LEU A 394 7.710 -11.995 5.640 1.00 0.00 O ATOM 1363 CB LEU A 394 6.031 -11.876 3.485 1.00 0.00 C ATOM 1364 CG LEU A 394 5.813 -13.241 2.828 1.00 0.00 C ATOM 1365 CD1 LEU A 394 5.645 -13.091 1.322 1.00 0.00 C ATOM 1366 CD2 LEU A 394 6.970 -14.178 3.151 1.00 0.00 C ATOM 0 H LEU A 394 5.164 -9.652 4.825 1.00 0.00 H new ATOM 0 HA LEU A 394 4.785 -12.580 5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 394 5.600 -11.108 2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 394 7.102 -11.682 3.538 1.00 0.00 H new ATOM 0 HG LEU A 394 4.898 -13.675 3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 394 5.491 -14.072 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 394 4.783 -12.458 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 394 6.541 -12.635 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 394 6.799 -15.144 2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 394 7.900 -13.750 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 394 7.040 -14.312 4.231 1.00 0.00 H new ATOM 1378 N PRO A 395 6.193 -11.492 7.235 1.00 0.00 N ATOM 1379 CA PRO A 395 7.156 -11.484 8.349 1.00 0.00 C ATOM 1380 C PRO A 395 8.157 -12.644 8.284 1.00 0.00 C ATOM 1381 O PRO A 395 7.834 -13.725 7.791 1.00 0.00 O ATOM 1382 CB PRO A 395 6.258 -11.623 9.578 1.00 0.00 C ATOM 1383 CG PRO A 395 4.966 -10.992 9.183 1.00 0.00 C ATOM 1384 CD PRO A 395 4.825 -11.184 7.696 1.00 0.00 C ATOM 0 HA PRO A 395 7.775 -10.587 8.344 1.00 0.00 H new ATOM 0 HB2 PRO A 395 6.120 -12.669 9.850 1.00 0.00 H new ATOM 0 HB3 PRO A 395 6.693 -11.124 10.444 1.00 0.00 H new ATOM 0 HG2 PRO A 395 4.133 -11.453 9.713 1.00 0.00 H new ATOM 0 HG3 PRO A 395 4.959 -9.932 9.438 1.00 0.00 H new ATOM 0 HD2 PRO A 395 4.135 -11.995 7.464 1.00 0.00 H new ATOM 0 HD3 PRO A 395 4.436 -10.287 7.214 1.00 0.00 H new ATOM 1392 N ALA A 396 9.372 -12.409 8.789 1.00 0.00 N ATOM 1393 CA ALA A 396 10.422 -13.433 8.790 1.00 0.00 C ATOM 1394 C ALA A 396 11.231 -13.409 10.091 1.00 0.00 C ATOM 1395 O ALA A 396 12.449 -13.607 10.079 1.00 0.00 O ATOM 1396 CB ALA A 396 11.342 -13.242 7.591 1.00 0.00 C ATOM 0 H ALA A 396 9.653 -11.520 9.202 1.00 0.00 H new ATOM 0 HA ALA A 396 9.939 -14.408 8.719 1.00 0.00 H new ATOM 0 HB1 ALA A 396 12.118 -14.008 7.602 1.00 0.00 H new ATOM 0 HB2 ALA A 396 10.763 -13.325 6.671 1.00 0.00 H new ATOM 0 HB3 ALA A 396 11.805 -12.256 7.641 1.00 0.00 H new ATOM 1402 N GLY A 397 10.548 -13.168 11.211 1.00 0.00 N ATOM 1403 CA GLY A 397 11.216 -13.123 12.502 1.00 0.00 C ATOM 1404 C GLY A 397 10.291 -12.677 13.616 1.00 0.00 C ATOM 1405 O GLY A 397 9.806 -13.544 14.373 1.00 0.00 O ATOM 1406 OXT GLY A 397 10.047 -11.459 13.730 1.00 0.00 O ATOM 0 H GLY A 397 9.542 -13.003 11.246 1.00 0.00 H new ATOM 0 HA2 GLY A 397 11.613 -14.110 12.737 1.00 0.00 H new ATOM 0 HA3 GLY A 397 12.066 -12.443 12.445 1.00 0.00 H new