USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 489 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 293 MET CE :methyl 171:sc= -4.12! (180deg=-4.38!) USER MOD Set 1.2: A 352 MET CE :methyl 160:sc= -1.24 (180deg=-2.04) USER MOD Set 2.1: A 301 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 303 ASN : amide:sc= -2.16! K(o=-2.2!,f=1) USER MOD Set 3.1: A 289 HIS : no HE2:sc= -13.3! C(o=-12!,f=-18!) USER MOD Set 3.2: A 338 HIS : no HD1:sc= 0.253 K(o=-12,f=-16) USER MOD Set 3.3: A 363 SER OG : rot 81:sc= 0.618 USER MOD Single : A 290 CYS SG : rot 180:sc= -0.799 USER MOD Single : A 292 HIS : no HE2:sc= 0.354 K(o=0.35,f=-1.5!) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.647 K(o=0.65,f=-0.41) USER MOD Single : A 310 SER OG : rot 46:sc= 0.973 USER MOD Single : A 313 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 318 HIS : no HE2:sc= 0.158 K(o=0.16,f=-2.6!) USER MOD Single : A 337 THR OG1 : rot 2:sc= 1.04 USER MOD Single : A 345 MET CE :methyl 178:sc= -0.687 (180deg=-0.706) USER MOD Single : A 346 SER OG : rot -43:sc= 0.541 USER MOD Single : A 347 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 ASN : amide:sc= -0.0199 K(o=-0.02,f=-3.4!) USER MOD Single : A 353 GLN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 354 HIS : no HD1:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 ASN : amide:sc= -0.574 K(o=-0.57,f=-2!) USER MOD Single : A 364 THR OG1 : rot 180:sc= -0.0863 USER MOD Single : A 365 THR OG1 : rot -31:sc= 0.835 USER MOD ----------------------------------------------------------------- ATOM 159 N HIS A 289 -4.757 5.165 -6.493 1.00 0.00 N ATOM 160 CA HIS A 289 -3.390 4.691 -6.657 1.00 0.00 C ATOM 161 C HIS A 289 -2.972 3.811 -5.478 1.00 0.00 C ATOM 162 O HIS A 289 -3.680 3.760 -4.473 1.00 0.00 O ATOM 163 CB HIS A 289 -2.489 5.900 -6.857 1.00 0.00 C ATOM 164 CG HIS A 289 -2.428 6.785 -5.651 1.00 0.00 C ATOM 165 ND1 HIS A 289 -1.312 7.080 -4.905 1.00 0.00 N ATOM 166 CD2 HIS A 289 -3.485 7.448 -5.094 1.00 0.00 C ATOM 167 CE1 HIS A 289 -1.704 7.898 -3.916 1.00 0.00 C ATOM 168 NE2 HIS A 289 -3.022 8.125 -3.971 1.00 0.00 N ATOM 0 HA HIS A 289 -3.304 4.053 -7.537 1.00 0.00 H new ATOM 0 HB2 HIS A 289 -1.483 5.561 -7.104 1.00 0.00 H new ATOM 0 HB3 HIS A 289 -2.848 6.478 -7.708 1.00 0.00 H new ATOM 0 HD1 HIS A 289 -0.364 6.741 -5.072 1.00 0.00 H new ATOM 0 HD2 HIS A 289 -4.501 7.447 -5.461 1.00 0.00 H new ATOM 0 HE1 HIS A 289 -1.043 8.318 -3.173 1.00 0.00 H new ATOM 176 N CYS A 290 -1.831 3.115 -5.589 1.00 0.00 N ATOM 177 CA CYS A 290 -1.506 2.063 -4.633 1.00 0.00 C ATOM 178 C CYS A 290 -0.035 2.042 -4.219 1.00 0.00 C ATOM 179 O CYS A 290 0.791 2.789 -4.742 1.00 0.00 O ATOM 180 CB CYS A 290 -1.866 0.712 -5.260 1.00 0.00 C ATOM 181 SG CYS A 290 -3.619 0.674 -5.715 1.00 0.00 S ATOM 0 H CYS A 290 -1.134 3.262 -6.319 1.00 0.00 H new ATOM 0 HA CYS A 290 -2.081 2.261 -3.728 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.251 0.538 -6.143 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.649 -0.092 -4.557 1.00 0.00 H new ATOM 0 HG CYS A 290 -3.905 -0.478 -6.246 1.00 0.00 H new ATOM 187 N VAL A 291 0.265 1.157 -3.261 1.00 0.00 N ATOM 188 CA VAL A 291 1.603 0.880 -2.752 1.00 0.00 C ATOM 189 C VAL A 291 1.622 -0.574 -2.268 1.00 0.00 C ATOM 190 O VAL A 291 0.601 -1.082 -1.805 1.00 0.00 O ATOM 191 CB VAL A 291 1.929 1.829 -1.587 1.00 0.00 C ATOM 192 CG1 VAL A 291 3.363 1.632 -1.103 1.00 0.00 C ATOM 193 CG2 VAL A 291 1.796 3.299 -1.988 1.00 0.00 C ATOM 0 H VAL A 291 -0.452 0.594 -2.804 1.00 0.00 H new ATOM 0 HA VAL A 291 2.349 1.032 -3.532 1.00 0.00 H new ATOM 0 HB VAL A 291 1.213 1.589 -0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 291 3.566 2.316 -0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.494 0.605 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.054 1.834 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 291 2.036 3.932 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 291 2.483 3.517 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 291 0.774 3.497 -2.311 1.00 0.00 H new ATOM 203 N HIS A 292 2.769 -1.253 -2.367 1.00 0.00 N ATOM 204 CA HIS A 292 2.904 -2.630 -1.902 1.00 0.00 C ATOM 205 C HIS A 292 3.121 -2.660 -0.387 1.00 0.00 C ATOM 206 O HIS A 292 3.476 -1.640 0.196 1.00 0.00 O ATOM 207 CB HIS A 292 4.101 -3.278 -2.599 1.00 0.00 C ATOM 208 CG HIS A 292 3.998 -3.261 -4.102 1.00 0.00 C ATOM 209 ND1 HIS A 292 4.512 -2.299 -4.940 1.00 0.00 N ATOM 210 CD2 HIS A 292 3.383 -4.197 -4.887 1.00 0.00 C ATOM 211 CE1 HIS A 292 4.214 -2.655 -6.202 1.00 0.00 C ATOM 212 NE2 HIS A 292 3.523 -3.808 -6.225 1.00 0.00 N ATOM 0 H HIS A 292 3.622 -0.864 -2.769 1.00 0.00 H new ATOM 0 HA HIS A 292 1.992 -3.178 -2.138 1.00 0.00 H new ATOM 0 HB2 HIS A 292 5.012 -2.760 -2.299 1.00 0.00 H new ATOM 0 HB3 HIS A 292 4.195 -4.310 -2.260 1.00 0.00 H new ATOM 0 HD1 HIS A 292 5.027 -1.466 -4.655 1.00 0.00 H new ATOM 0 HD2 HIS A 292 2.876 -5.084 -4.535 1.00 0.00 H new ATOM 0 HE1 HIS A 292 4.492 -2.090 -7.080 1.00 0.00 H new ATOM 220 N MET A 293 2.912 -3.814 0.255 1.00 0.00 N ATOM 221 CA MET A 293 3.169 -3.981 1.682 1.00 0.00 C ATOM 222 C MET A 293 3.473 -5.446 1.990 1.00 0.00 C ATOM 223 O MET A 293 2.646 -6.325 1.753 1.00 0.00 O ATOM 224 CB MET A 293 1.950 -3.501 2.471 1.00 0.00 C ATOM 225 CG MET A 293 2.074 -3.756 3.971 1.00 0.00 C ATOM 226 SD MET A 293 3.340 -2.752 4.781 1.00 0.00 S ATOM 227 CE MET A 293 2.792 -2.971 6.490 1.00 0.00 C ATOM 0 H MET A 293 2.560 -4.655 -0.203 1.00 0.00 H new ATOM 0 HA MET A 293 4.035 -3.387 1.973 1.00 0.00 H new ATOM 0 HB2 MET A 293 1.810 -2.434 2.300 1.00 0.00 H new ATOM 0 HB3 MET A 293 1.059 -4.004 2.095 1.00 0.00 H new ATOM 0 HG2 MET A 293 1.112 -3.561 4.444 1.00 0.00 H new ATOM 0 HG3 MET A 293 2.301 -4.810 4.133 1.00 0.00 H new ATOM 0 HE1 MET A 293 3.539 -2.557 7.167 1.00 0.00 H new ATOM 0 HE2 MET A 293 1.843 -2.455 6.637 1.00 0.00 H new ATOM 0 HE3 MET A 293 2.663 -4.033 6.697 1.00 0.00 H new ATOM 237 N ARG A 294 4.669 -5.715 2.523 1.00 0.00 N ATOM 238 CA ARG A 294 5.110 -7.075 2.802 1.00 0.00 C ATOM 239 C ARG A 294 5.894 -7.119 4.112 1.00 0.00 C ATOM 240 O ARG A 294 6.190 -6.085 4.705 1.00 0.00 O ATOM 241 CB ARG A 294 5.963 -7.604 1.642 1.00 0.00 C ATOM 242 CG ARG A 294 5.302 -7.357 0.281 1.00 0.00 C ATOM 243 CD ARG A 294 6.132 -7.970 -0.848 1.00 0.00 C ATOM 244 NE ARG A 294 5.996 -9.431 -0.887 1.00 0.00 N ATOM 245 CZ ARG A 294 6.948 -10.268 -1.301 1.00 0.00 C ATOM 246 NH1 ARG A 294 8.143 -9.822 -1.684 1.00 0.00 N ATOM 247 NH2 ARG A 294 6.696 -11.574 -1.330 1.00 0.00 N ATOM 0 H ARG A 294 5.351 -4.998 2.770 1.00 0.00 H new ATOM 0 HA ARG A 294 4.234 -7.715 2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 294 6.941 -7.122 1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 294 6.131 -8.673 1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 294 4.300 -7.786 0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 294 5.191 -6.285 0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 294 5.816 -7.549 -1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 294 7.181 -7.705 -0.714 1.00 0.00 H new ATOM 0 HE ARG A 294 5.112 -9.834 -0.576 1.00 0.00 H new ATOM 0 HH11 ARG A 294 8.345 -8.822 -1.664 1.00 0.00 H new ATOM 0 HH12 ARG A 294 8.857 -10.480 -1.997 1.00 0.00 H new ATOM 0 HH21 ARG A 294 5.784 -11.924 -1.038 1.00 0.00 H new ATOM 0 HH22 ARG A 294 7.415 -12.225 -1.645 1.00 0.00 H new ATOM 261 N GLY A 295 6.227 -8.329 4.560 1.00 0.00 N ATOM 262 CA GLY A 295 6.857 -8.553 5.854 1.00 0.00 C ATOM 263 C GLY A 295 5.872 -9.212 6.815 1.00 0.00 C ATOM 264 O GLY A 295 6.265 -9.730 7.858 1.00 0.00 O ATOM 0 H GLY A 295 6.065 -9.185 4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 295 7.736 -9.186 5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 295 7.201 -7.605 6.268 1.00 0.00 H new ATOM 268 N LEU A 296 4.585 -9.189 6.455 1.00 0.00 N ATOM 269 CA LEU A 296 3.509 -9.746 7.258 1.00 0.00 C ATOM 270 C LEU A 296 3.347 -11.267 7.119 1.00 0.00 C ATOM 271 O LEU A 296 3.252 -11.921 8.150 1.00 0.00 O ATOM 272 CB LEU A 296 2.186 -9.093 6.839 1.00 0.00 C ATOM 273 CG LEU A 296 2.251 -7.565 6.757 1.00 0.00 C ATOM 274 CD1 LEU A 296 0.922 -7.057 6.209 1.00 0.00 C ATOM 275 CD2 LEU A 296 2.493 -6.925 8.122 1.00 0.00 C ATOM 0 H LEU A 296 4.263 -8.774 5.581 1.00 0.00 H new ATOM 0 HA LEU A 296 3.767 -9.540 8.297 1.00 0.00 H new ATOM 0 HB2 LEU A 296 1.888 -9.488 5.868 1.00 0.00 H new ATOM 0 HB3 LEU A 296 1.410 -9.377 7.550 1.00 0.00 H new ATOM 0 HG LEU A 296 3.084 -7.294 6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 296 0.948 -5.969 6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 296 0.753 -7.477 5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 296 0.114 -7.361 6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 296 2.531 -5.841 8.014 1.00 0.00 H new ATOM 0 HD22 LEU A 296 1.682 -7.194 8.799 1.00 0.00 H new ATOM 0 HD23 LEU A 296 3.439 -7.283 8.529 1.00 0.00 H new ATOM 344 N ALA A 300 1.287 -11.284 10.826 1.00 0.00 N ATOM 345 CA ALA A 300 0.608 -10.000 10.975 1.00 0.00 C ATOM 346 C ALA A 300 -0.504 -9.818 9.937 1.00 0.00 C ATOM 347 O ALA A 300 -0.659 -10.645 9.039 1.00 0.00 O ATOM 348 CB ALA A 300 1.646 -8.886 10.854 1.00 0.00 C ATOM 0 HA ALA A 300 0.131 -9.964 11.954 1.00 0.00 H new ATOM 0 HB1 ALA A 300 1.156 -7.919 10.963 1.00 0.00 H new ATOM 0 HB2 ALA A 300 2.397 -9.002 11.635 1.00 0.00 H new ATOM 0 HB3 ALA A 300 2.127 -8.941 9.877 1.00 0.00 H new ATOM 354 N THR A 301 -1.275 -8.729 10.063 1.00 0.00 N ATOM 355 CA THR A 301 -2.428 -8.465 9.204 1.00 0.00 C ATOM 356 C THR A 301 -2.680 -6.977 8.978 1.00 0.00 C ATOM 357 O THR A 301 -2.019 -6.103 9.540 1.00 0.00 O ATOM 358 CB THR A 301 -3.705 -9.069 9.804 1.00 0.00 C ATOM 359 OG1 THR A 301 -3.610 -9.168 11.208 1.00 0.00 O ATOM 360 CG2 THR A 301 -3.964 -10.450 9.215 1.00 0.00 C ATOM 0 H THR A 301 -1.113 -8.008 10.766 1.00 0.00 H new ATOM 0 HA THR A 301 -2.188 -8.927 8.247 1.00 0.00 H new ATOM 0 HB THR A 301 -4.534 -8.406 9.556 1.00 0.00 H new ATOM 0 HG1 THR A 301 -4.437 -9.554 11.565 1.00 0.00 H new ATOM 0 HG21 THR A 301 -4.873 -10.866 9.650 1.00 0.00 H new ATOM 0 HG22 THR A 301 -4.083 -10.368 8.135 1.00 0.00 H new ATOM 0 HG23 THR A 301 -3.122 -11.105 9.439 1.00 0.00 H new ATOM 368 N GLU A 302 -3.672 -6.709 8.125 1.00 0.00 N ATOM 369 CA GLU A 302 -4.071 -5.372 7.723 1.00 0.00 C ATOM 370 C GLU A 302 -4.357 -4.447 8.902 1.00 0.00 C ATOM 371 O GLU A 302 -4.152 -3.240 8.799 1.00 0.00 O ATOM 372 CB GLU A 302 -5.295 -5.473 6.815 1.00 0.00 C ATOM 373 CG GLU A 302 -6.574 -5.708 7.614 1.00 0.00 C ATOM 374 CD GLU A 302 -7.731 -6.133 6.712 1.00 0.00 C ATOM 375 OE1 GLU A 302 -8.204 -5.276 5.932 1.00 0.00 O ATOM 376 OE2 GLU A 302 -8.134 -7.313 6.810 1.00 0.00 O ATOM 0 H GLU A 302 -4.231 -7.441 7.687 1.00 0.00 H new ATOM 0 HA GLU A 302 -3.233 -4.925 7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -5.393 -4.556 6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -5.155 -6.288 6.105 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -6.397 -6.477 8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -6.843 -4.796 8.147 1.00 0.00 H new ATOM 383 N ASN A 303 -4.829 -5.008 10.019 1.00 0.00 N ATOM 384 CA ASN A 303 -5.188 -4.230 11.195 1.00 0.00 C ATOM 385 C ASN A 303 -4.007 -3.446 11.771 1.00 0.00 C ATOM 386 O ASN A 303 -4.214 -2.574 12.614 1.00 0.00 O ATOM 387 CB ASN A 303 -5.808 -5.143 12.252 1.00 0.00 C ATOM 388 CG ASN A 303 -4.726 -5.877 13.025 1.00 0.00 C ATOM 389 OD1 ASN A 303 -4.769 -5.967 14.249 1.00 0.00 O ATOM 390 ND2 ASN A 303 -3.748 -6.406 12.300 1.00 0.00 N ATOM 0 H ASN A 303 -4.971 -6.012 10.128 1.00 0.00 H new ATOM 0 HA ASN A 303 -5.922 -3.487 10.884 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -6.416 -4.554 12.938 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -6.473 -5.863 11.774 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -2.990 -6.913 12.758 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -3.754 -6.306 11.285 1.00 0.00 H new ATOM 397 N ASP A 304 -2.780 -3.743 11.327 1.00 0.00 N ATOM 398 CA ASP A 304 -1.612 -2.992 11.758 1.00 0.00 C ATOM 399 C ASP A 304 -0.934 -2.281 10.588 1.00 0.00 C ATOM 400 O ASP A 304 -0.109 -1.394 10.794 1.00 0.00 O ATOM 401 CB ASP A 304 -0.658 -3.921 12.513 1.00 0.00 C ATOM 402 CG ASP A 304 0.263 -3.161 13.466 1.00 0.00 C ATOM 403 OD1 ASP A 304 0.008 -1.960 13.698 1.00 0.00 O ATOM 404 OD2 ASP A 304 1.222 -3.796 13.959 1.00 0.00 O ATOM 0 H ASP A 304 -2.578 -4.498 10.671 1.00 0.00 H new ATOM 0 HA ASP A 304 -1.928 -2.203 12.440 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -1.238 -4.651 13.078 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -0.055 -4.478 11.796 1.00 0.00 H new ATOM 409 N ILE A 305 -1.276 -2.664 9.356 1.00 0.00 N ATOM 410 CA ILE A 305 -0.779 -1.971 8.176 1.00 0.00 C ATOM 411 C ILE A 305 -1.237 -0.518 8.163 1.00 0.00 C ATOM 412 O ILE A 305 -0.417 0.395 8.181 1.00 0.00 O ATOM 413 CB ILE A 305 -1.333 -2.649 6.928 1.00 0.00 C ATOM 414 CG1 ILE A 305 -0.825 -4.084 6.820 1.00 0.00 C ATOM 415 CG2 ILE A 305 -0.965 -1.843 5.677 1.00 0.00 C ATOM 416 CD1 ILE A 305 -1.391 -4.724 5.556 1.00 0.00 C ATOM 0 H ILE A 305 -1.894 -3.450 9.155 1.00 0.00 H new ATOM 0 HA ILE A 305 0.310 -2.007 8.194 1.00 0.00 H new ATOM 0 HB ILE A 305 -2.420 -2.684 7.007 1.00 0.00 H new ATOM 0 HG12 ILE A 305 0.265 -4.095 6.791 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -1.126 -4.656 7.698 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -1.367 -2.339 4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -1.386 -0.840 5.753 1.00 0.00 H new ATOM 0 HG23 ILE A 305 0.120 -1.776 5.593 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -1.031 -5.749 5.475 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.480 -4.725 5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -1.067 -4.156 4.684 1.00 0.00 H new ATOM 428 N TYR A 306 -2.553 -0.286 8.134 1.00 0.00 N ATOM 429 CA TYR A 306 -3.062 1.074 8.031 1.00 0.00 C ATOM 430 C TYR A 306 -3.035 1.764 9.395 1.00 0.00 C ATOM 431 O TYR A 306 -3.590 2.850 9.555 1.00 0.00 O ATOM 432 CB TYR A 306 -4.446 1.088 7.375 1.00 0.00 C ATOM 433 CG TYR A 306 -5.594 0.580 8.217 1.00 0.00 C ATOM 434 CD1 TYR A 306 -5.891 -0.790 8.292 1.00 0.00 C ATOM 435 CD2 TYR A 306 -6.370 1.507 8.928 1.00 0.00 C ATOM 436 CE1 TYR A 306 -6.936 -1.234 9.117 1.00 0.00 C ATOM 437 CE2 TYR A 306 -7.439 1.076 9.720 1.00 0.00 C ATOM 438 CZ TYR A 306 -7.719 -0.302 9.830 1.00 0.00 C ATOM 439 OH TYR A 306 -8.744 -0.728 10.621 1.00 0.00 O ATOM 0 H TYR A 306 -3.269 -1.011 8.180 1.00 0.00 H new ATOM 0 HA TYR A 306 -2.408 1.652 7.379 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -4.670 2.111 7.073 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -4.399 0.490 6.465 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -5.317 -1.501 7.716 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -6.141 2.560 8.863 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -7.141 -2.291 9.206 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -8.048 1.796 10.246 1.00 0.00 H new ATOM 0 HH TYR A 306 -9.177 0.045 11.039 1.00 0.00 H new ATOM 449 N ASN A 307 -2.386 1.127 10.376 1.00 0.00 N ATOM 450 CA ASN A 307 -2.270 1.643 11.725 1.00 0.00 C ATOM 451 C ASN A 307 -0.815 1.968 12.098 1.00 0.00 C ATOM 452 O ASN A 307 -0.577 2.533 13.165 1.00 0.00 O ATOM 453 CB ASN A 307 -2.900 0.597 12.640 1.00 0.00 C ATOM 454 CG ASN A 307 -2.602 0.846 14.105 1.00 0.00 C ATOM 455 OD1 ASN A 307 -3.223 1.688 14.748 1.00 0.00 O ATOM 456 ND2 ASN A 307 -1.639 0.102 14.636 1.00 0.00 N ATOM 0 H ASN A 307 -1.924 0.227 10.243 1.00 0.00 H new ATOM 0 HA ASN A 307 -2.791 2.595 11.827 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -3.979 0.591 12.489 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -2.534 -0.391 12.362 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -1.388 0.218 15.618 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -1.151 -0.585 14.062 1.00 0.00 H new ATOM 463 N PHE A 308 0.162 1.627 11.246 1.00 0.00 N ATOM 464 CA PHE A 308 1.553 2.020 11.475 1.00 0.00 C ATOM 465 C PHE A 308 2.062 2.903 10.335 1.00 0.00 C ATOM 466 O PHE A 308 3.111 3.534 10.458 1.00 0.00 O ATOM 467 CB PHE A 308 2.449 0.784 11.625 1.00 0.00 C ATOM 468 CG PHE A 308 3.290 0.482 10.396 1.00 0.00 C ATOM 469 CD1 PHE A 308 2.665 0.192 9.176 1.00 0.00 C ATOM 470 CD2 PHE A 308 4.691 0.498 10.468 1.00 0.00 C ATOM 471 CE1 PHE A 308 3.430 -0.026 8.022 1.00 0.00 C ATOM 472 CE2 PHE A 308 5.459 0.259 9.318 1.00 0.00 C ATOM 473 CZ PHE A 308 4.828 0.016 8.089 1.00 0.00 C ATOM 0 H PHE A 308 0.012 1.082 10.397 1.00 0.00 H new ATOM 0 HA PHE A 308 1.592 2.593 12.402 1.00 0.00 H new ATOM 0 HB2 PHE A 308 3.110 0.928 12.480 1.00 0.00 H new ATOM 0 HB3 PHE A 308 1.824 -0.081 11.848 1.00 0.00 H new ATOM 0 HD1 PHE A 308 1.588 0.136 9.125 1.00 0.00 H new ATOM 0 HD2 PHE A 308 5.180 0.695 11.411 1.00 0.00 H new ATOM 0 HE1 PHE A 308 2.941 -0.227 7.080 1.00 0.00 H new ATOM 0 HE2 PHE A 308 6.537 0.262 9.379 1.00 0.00 H new ATOM 0 HZ PHE A 308 5.418 -0.138 7.198 1.00 0.00 H new ATOM 483 N PHE A 309 1.317 2.941 9.228 1.00 0.00 N ATOM 484 CA PHE A 309 1.736 3.620 8.014 1.00 0.00 C ATOM 485 C PHE A 309 1.936 5.120 8.217 1.00 0.00 C ATOM 486 O PHE A 309 2.944 5.667 7.773 1.00 0.00 O ATOM 487 CB PHE A 309 0.675 3.370 6.937 1.00 0.00 C ATOM 488 CG PHE A 309 1.234 2.819 5.648 1.00 0.00 C ATOM 489 CD1 PHE A 309 2.196 3.549 4.939 1.00 0.00 C ATOM 490 CD2 PHE A 309 0.795 1.579 5.160 1.00 0.00 C ATOM 491 CE1 PHE A 309 2.702 3.051 3.732 1.00 0.00 C ATOM 492 CE2 PHE A 309 1.309 1.077 3.957 1.00 0.00 C ATOM 493 CZ PHE A 309 2.252 1.820 3.236 1.00 0.00 C ATOM 0 H PHE A 309 0.402 2.497 9.155 1.00 0.00 H new ATOM 0 HA PHE A 309 2.703 3.219 7.711 1.00 0.00 H new ATOM 0 HB2 PHE A 309 -0.068 2.674 7.327 1.00 0.00 H new ATOM 0 HB3 PHE A 309 0.156 4.305 6.727 1.00 0.00 H new ATOM 0 HD1 PHE A 309 2.547 4.495 5.323 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.061 1.011 5.712 1.00 0.00 H new ATOM 0 HE1 PHE A 309 3.440 3.616 3.183 1.00 0.00 H new ATOM 0 HE2 PHE A 309 0.978 0.118 3.586 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.632 1.444 2.298 1.00 0.00 H new ATOM 503 N SER A 310 0.981 5.779 8.882 1.00 0.00 N ATOM 504 CA SER A 310 0.974 7.225 9.084 1.00 0.00 C ATOM 505 C SER A 310 -0.247 7.630 9.911 1.00 0.00 C ATOM 506 O SER A 310 -1.128 6.802 10.147 1.00 0.00 O ATOM 507 CB SER A 310 0.906 7.913 7.716 1.00 0.00 C ATOM 508 OG SER A 310 2.213 8.130 7.235 1.00 0.00 O ATOM 0 H SER A 310 0.178 5.310 9.301 1.00 0.00 H new ATOM 0 HA SER A 310 1.879 7.524 9.613 1.00 0.00 H new ATOM 0 HB2 SER A 310 0.346 7.295 7.014 1.00 0.00 H new ATOM 0 HB3 SER A 310 0.375 8.861 7.800 1.00 0.00 H new ATOM 0 HG SER A 310 2.746 7.317 7.358 1.00 0.00 H new ATOM 514 N PRO A 311 -0.319 8.893 10.358 1.00 0.00 N ATOM 515 CA PRO A 311 -1.483 9.446 11.038 1.00 0.00 C ATOM 516 C PRO A 311 -2.691 9.578 10.102 1.00 0.00 C ATOM 517 O PRO A 311 -3.737 10.073 10.517 1.00 0.00 O ATOM 518 CB PRO A 311 -1.031 10.807 11.573 1.00 0.00 C ATOM 519 CG PRO A 311 0.059 11.223 10.590 1.00 0.00 C ATOM 520 CD PRO A 311 0.728 9.895 10.245 1.00 0.00 C ATOM 0 HA PRO A 311 -1.821 8.789 11.840 1.00 0.00 H new ATOM 0 HB2 PRO A 311 -1.851 11.525 11.592 1.00 0.00 H new ATOM 0 HB3 PRO A 311 -0.648 10.733 12.591 1.00 0.00 H new ATOM 0 HG2 PRO A 311 -0.357 11.708 9.707 1.00 0.00 H new ATOM 0 HG3 PRO A 311 0.762 11.925 11.039 1.00 0.00 H new ATOM 0 HD2 PRO A 311 1.145 9.915 9.238 1.00 0.00 H new ATOM 0 HD3 PRO A 311 1.551 9.681 10.927 1.00 0.00 H new ATOM 528 N LEU A 312 -2.549 9.138 8.845 1.00 0.00 N ATOM 529 CA LEU A 312 -3.617 9.042 7.869 1.00 0.00 C ATOM 530 C LEU A 312 -4.822 8.258 8.386 1.00 0.00 C ATOM 531 O LEU A 312 -4.802 7.671 9.467 1.00 0.00 O ATOM 532 CB LEU A 312 -3.036 8.384 6.613 1.00 0.00 C ATOM 533 CG LEU A 312 -2.734 9.416 5.528 1.00 0.00 C ATOM 534 CD1 LEU A 312 -1.937 10.615 6.034 1.00 0.00 C ATOM 535 CD2 LEU A 312 -1.955 8.748 4.400 1.00 0.00 C ATOM 0 H LEU A 312 -1.649 8.830 8.476 1.00 0.00 H new ATOM 0 HA LEU A 312 -3.990 10.042 7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 312 -2.123 7.848 6.871 1.00 0.00 H new ATOM 0 HB3 LEU A 312 -3.740 7.646 6.229 1.00 0.00 H new ATOM 0 HG LEU A 312 -3.696 9.793 5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 312 -1.759 11.307 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 312 -2.500 11.121 6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 312 -0.982 10.274 6.435 1.00 0.00 H new ATOM 0 HD21 LEU A 312 -1.738 9.482 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 312 -1.020 8.346 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 312 -2.549 7.938 3.977 1.00 0.00 H new ATOM 547 N ASN A 313 -5.882 8.263 7.577 1.00 0.00 N ATOM 548 CA ASN A 313 -7.171 7.697 7.913 1.00 0.00 C ATOM 549 C ASN A 313 -7.481 6.556 6.947 1.00 0.00 C ATOM 550 O ASN A 313 -6.946 6.525 5.840 1.00 0.00 O ATOM 551 CB ASN A 313 -8.188 8.836 7.803 1.00 0.00 C ATOM 552 CG ASN A 313 -7.750 10.053 8.595 1.00 0.00 C ATOM 553 OD1 ASN A 313 -7.557 11.130 8.037 1.00 0.00 O ATOM 554 ND2 ASN A 313 -7.589 9.898 9.901 1.00 0.00 N ATOM 0 H ASN A 313 -5.857 8.675 6.644 1.00 0.00 H new ATOM 0 HA ASN A 313 -7.196 7.280 8.920 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -8.317 9.110 6.756 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -9.158 8.495 8.165 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -7.296 10.688 10.476 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -7.758 8.989 10.331 1.00 0.00 H new ATOM 561 N PRO A 314 -8.339 5.614 7.354 1.00 0.00 N ATOM 562 CA PRO A 314 -8.563 4.372 6.642 1.00 0.00 C ATOM 563 C PRO A 314 -9.349 4.579 5.348 1.00 0.00 C ATOM 564 O PRO A 314 -10.484 5.053 5.352 1.00 0.00 O ATOM 565 CB PRO A 314 -9.295 3.481 7.646 1.00 0.00 C ATOM 566 CG PRO A 314 -10.067 4.473 8.513 1.00 0.00 C ATOM 567 CD PRO A 314 -9.143 5.690 8.558 1.00 0.00 C ATOM 0 HA PRO A 314 -7.631 3.916 6.307 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -9.964 2.780 7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -8.598 2.889 8.239 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -11.036 4.719 8.078 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -10.257 4.074 9.510 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -9.716 6.617 8.589 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -8.516 5.673 9.450 1.00 0.00 H new ATOM 575 N VAL A 315 -8.704 4.208 4.239 1.00 0.00 N ATOM 576 CA VAL A 315 -9.243 4.239 2.879 1.00 0.00 C ATOM 577 C VAL A 315 -8.594 3.112 2.073 1.00 0.00 C ATOM 578 O VAL A 315 -8.639 3.122 0.844 1.00 0.00 O ATOM 579 CB VAL A 315 -8.931 5.578 2.188 1.00 0.00 C ATOM 580 CG1 VAL A 315 -9.625 6.769 2.845 1.00 0.00 C ATOM 581 CG2 VAL A 315 -7.427 5.859 2.179 1.00 0.00 C ATOM 0 H VAL A 315 -7.745 3.861 4.268 1.00 0.00 H new ATOM 0 HA VAL A 315 -10.325 4.117 2.929 1.00 0.00 H new ATOM 0 HB VAL A 315 -9.310 5.469 1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -9.364 7.682 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -10.705 6.625 2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -9.302 6.851 3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -7.238 6.812 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -7.059 5.903 3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -6.911 5.063 1.642 1.00 0.00 H new ATOM 591 N ARG A 316 -7.989 2.138 2.763 1.00 0.00 N ATOM 592 CA ARG A 316 -7.047 1.216 2.148 1.00 0.00 C ATOM 593 C ARG A 316 -7.135 -0.207 2.705 1.00 0.00 C ATOM 594 O ARG A 316 -8.211 -0.666 3.079 1.00 0.00 O ATOM 595 CB ARG A 316 -5.644 1.815 2.309 1.00 0.00 C ATOM 596 CG ARG A 316 -5.214 1.954 3.774 1.00 0.00 C ATOM 597 CD ARG A 316 -3.829 2.602 3.851 1.00 0.00 C ATOM 598 NE ARG A 316 -3.843 3.934 3.240 1.00 0.00 N ATOM 599 CZ ARG A 316 -4.353 5.017 3.832 1.00 0.00 C ATOM 600 NH1 ARG A 316 -4.840 4.948 5.068 1.00 0.00 N ATOM 601 NH2 ARG A 316 -4.378 6.179 3.186 1.00 0.00 N ATOM 0 H ARG A 316 -8.142 1.973 3.758 1.00 0.00 H new ATOM 0 HA ARG A 316 -7.295 1.104 1.093 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -4.925 1.187 1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -5.617 2.796 1.834 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.939 2.559 4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -5.194 0.974 4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -3.515 2.678 4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -3.099 1.972 3.343 1.00 0.00 H new ATOM 0 HE ARG A 316 -3.440 4.040 2.309 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -4.826 4.062 5.573 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -5.227 5.781 5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -4.008 6.243 2.238 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -4.768 7.006 3.639 1.00 0.00 H new ATOM 615 N VAL A 317 -5.973 -0.869 2.738 1.00 0.00 N ATOM 616 CA VAL A 317 -5.723 -2.277 3.018 1.00 0.00 C ATOM 617 C VAL A 317 -6.486 -3.258 2.137 1.00 0.00 C ATOM 618 O VAL A 317 -7.647 -3.073 1.782 1.00 0.00 O ATOM 619 CB VAL A 317 -5.794 -2.665 4.492 1.00 0.00 C ATOM 620 CG1 VAL A 317 -4.542 -2.137 5.183 1.00 0.00 C ATOM 621 CG2 VAL A 317 -7.045 -2.214 5.242 1.00 0.00 C ATOM 0 H VAL A 317 -5.100 -0.377 2.549 1.00 0.00 H new ATOM 0 HA VAL A 317 -4.676 -2.376 2.733 1.00 0.00 H new ATOM 0 HB VAL A 317 -5.853 -3.753 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -4.570 -2.403 6.240 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -3.658 -2.578 4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.501 -1.052 5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -6.987 -2.545 6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -7.115 -1.127 5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.927 -2.648 4.772 1.00 0.00 H new ATOM 631 N HIS A 318 -5.760 -4.325 1.804 1.00 0.00 N ATOM 632 CA HIS A 318 -6.188 -5.462 1.023 1.00 0.00 C ATOM 633 C HIS A 318 -5.200 -6.586 1.316 1.00 0.00 C ATOM 634 O HIS A 318 -4.137 -6.329 1.882 1.00 0.00 O ATOM 635 CB HIS A 318 -6.123 -5.089 -0.453 1.00 0.00 C ATOM 636 CG HIS A 318 -6.608 -6.194 -1.345 1.00 0.00 C ATOM 637 ND1 HIS A 318 -5.910 -6.799 -2.362 1.00 0.00 N ATOM 638 CD2 HIS A 318 -7.839 -6.786 -1.286 1.00 0.00 C ATOM 639 CE1 HIS A 318 -6.711 -7.732 -2.907 1.00 0.00 C ATOM 640 NE2 HIS A 318 -7.903 -7.764 -2.284 1.00 0.00 N ATOM 0 H HIS A 318 -4.788 -4.414 2.100 1.00 0.00 H new ATOM 0 HA HIS A 318 -7.206 -5.766 1.266 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -6.724 -4.196 -0.626 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -5.096 -4.838 -0.716 1.00 0.00 H new ATOM 0 HD1 HIS A 318 -4.957 -6.580 -2.651 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -8.626 -6.541 -0.589 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -6.434 -8.370 -3.734 1.00 0.00 H new ATOM 648 N ILE A 319 -5.529 -7.823 0.945 1.00 0.00 N ATOM 649 CA ILE A 319 -4.688 -8.959 1.292 1.00 0.00 C ATOM 650 C ILE A 319 -4.577 -9.919 0.114 1.00 0.00 C ATOM 651 O ILE A 319 -5.506 -10.079 -0.676 1.00 0.00 O ATOM 652 CB ILE A 319 -5.247 -9.614 2.565 1.00 0.00 C ATOM 653 CG1 ILE A 319 -4.951 -8.648 3.723 1.00 0.00 C ATOM 654 CG2 ILE A 319 -4.626 -10.988 2.836 1.00 0.00 C ATOM 655 CD1 ILE A 319 -5.442 -9.147 5.074 1.00 0.00 C ATOM 0 H ILE A 319 -6.364 -8.059 0.409 1.00 0.00 H new ATOM 0 HA ILE A 319 -3.669 -8.636 1.507 1.00 0.00 H new ATOM 0 HB ILE A 319 -6.317 -9.790 2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -3.876 -8.478 3.777 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -5.416 -7.685 3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -5.055 -11.408 3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -4.833 -11.653 1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -3.548 -10.882 2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -5.198 -8.414 5.843 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -6.522 -9.290 5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -4.958 -10.095 5.310 1.00 0.00 H new ATOM 667 N GLU A 320 -3.407 -10.554 0.018 1.00 0.00 N ATOM 668 CA GLU A 320 -3.030 -11.438 -1.067 1.00 0.00 C ATOM 669 C GLU A 320 -2.499 -12.755 -0.493 1.00 0.00 C ATOM 670 O GLU A 320 -2.085 -12.814 0.665 1.00 0.00 O ATOM 671 CB GLU A 320 -1.977 -10.688 -1.888 1.00 0.00 C ATOM 672 CG GLU A 320 -1.425 -11.489 -3.067 1.00 0.00 C ATOM 673 CD GLU A 320 -2.518 -11.807 -4.085 1.00 0.00 C ATOM 674 OE1 GLU A 320 -2.714 -10.979 -5.002 1.00 0.00 O ATOM 675 OE2 GLU A 320 -3.147 -12.878 -3.937 1.00 0.00 O ATOM 0 H GLU A 320 -2.676 -10.458 0.723 1.00 0.00 H new ATOM 0 HA GLU A 320 -3.873 -11.699 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -2.414 -9.763 -2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -1.152 -10.408 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -0.628 -10.925 -3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -0.983 -12.417 -2.704 1.00 0.00 H new ATOM 817 N ALA A 331 0.083 -8.482 1.587 1.00 0.00 N ATOM 818 CA ALA A 331 -0.841 -7.367 1.464 1.00 0.00 C ATOM 819 C ALA A 331 -0.417 -6.305 0.459 1.00 0.00 C ATOM 820 O ALA A 331 0.689 -6.299 -0.079 1.00 0.00 O ATOM 821 CB ALA A 331 -0.994 -6.728 2.846 1.00 0.00 C ATOM 0 HA ALA A 331 -1.781 -7.769 1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -1.684 -5.886 2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -1.385 -7.466 3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 331 -0.023 -6.376 3.194 1.00 0.00 H new ATOM 827 N ASP A 332 -1.359 -5.395 0.227 1.00 0.00 N ATOM 828 CA ASP A 332 -1.167 -4.185 -0.545 1.00 0.00 C ATOM 829 C ASP A 332 -2.137 -3.128 -0.024 1.00 0.00 C ATOM 830 O ASP A 332 -3.069 -3.451 0.713 1.00 0.00 O ATOM 831 CB ASP A 332 -1.381 -4.478 -2.031 1.00 0.00 C ATOM 832 CG ASP A 332 -2.820 -4.871 -2.353 1.00 0.00 C ATOM 833 OD1 ASP A 332 -3.127 -6.081 -2.262 1.00 0.00 O ATOM 834 OD2 ASP A 332 -3.604 -3.957 -2.689 1.00 0.00 O ATOM 0 H ASP A 332 -2.309 -5.489 0.587 1.00 0.00 H new ATOM 0 HA ASP A 332 -0.149 -3.810 -0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -1.110 -3.597 -2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -0.712 -5.282 -2.339 1.00 0.00 H new ATOM 839 N VAL A 333 -1.928 -1.864 -0.400 1.00 0.00 N ATOM 840 CA VAL A 333 -2.753 -0.773 0.093 1.00 0.00 C ATOM 841 C VAL A 333 -3.101 0.207 -1.021 1.00 0.00 C ATOM 842 O VAL A 333 -2.608 0.096 -2.142 1.00 0.00 O ATOM 843 CB VAL A 333 -2.035 -0.044 1.235 1.00 0.00 C ATOM 844 CG1 VAL A 333 -1.809 -0.965 2.432 1.00 0.00 C ATOM 845 CG2 VAL A 333 -0.683 0.505 0.782 1.00 0.00 C ATOM 0 H VAL A 333 -1.192 -1.577 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.684 -1.198 0.468 1.00 0.00 H new ATOM 0 HB VAL A 333 -2.683 0.781 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.298 -0.415 3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -2.770 -1.323 2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -1.198 -1.815 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.200 1.016 1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -0.051 -0.317 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -0.832 1.208 -0.038 1.00 0.00 H new ATOM 855 N GLU A 334 -3.962 1.173 -0.694 1.00 0.00 N ATOM 856 CA GLU A 334 -4.439 2.177 -1.627 1.00 0.00 C ATOM 857 C GLU A 334 -4.328 3.557 -0.988 1.00 0.00 C ATOM 858 O GLU A 334 -4.147 3.678 0.224 1.00 0.00 O ATOM 859 CB GLU A 334 -5.895 1.884 -2.002 1.00 0.00 C ATOM 860 CG GLU A 334 -6.049 0.503 -2.641 1.00 0.00 C ATOM 861 CD GLU A 334 -7.501 0.251 -3.042 1.00 0.00 C ATOM 862 OE1 GLU A 334 -7.867 0.648 -4.171 1.00 0.00 O ATOM 863 OE2 GLU A 334 -8.236 -0.337 -2.217 1.00 0.00 O ATOM 0 H GLU A 334 -4.349 1.275 0.244 1.00 0.00 H new ATOM 0 HA GLU A 334 -3.831 2.153 -2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -6.519 1.944 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -6.253 2.647 -2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -5.406 0.429 -3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -5.722 -0.265 -1.941 1.00 0.00 H new ATOM 870 N PHE A 335 -4.438 4.603 -1.806 1.00 0.00 N ATOM 871 CA PHE A 335 -4.327 5.975 -1.345 1.00 0.00 C ATOM 872 C PHE A 335 -5.142 6.905 -2.240 1.00 0.00 C ATOM 873 O PHE A 335 -5.663 6.492 -3.280 1.00 0.00 O ATOM 874 CB PHE A 335 -2.852 6.386 -1.352 1.00 0.00 C ATOM 875 CG PHE A 335 -2.038 5.766 -0.242 1.00 0.00 C ATOM 876 CD1 PHE A 335 -2.048 6.339 1.037 1.00 0.00 C ATOM 877 CD2 PHE A 335 -1.271 4.617 -0.487 1.00 0.00 C ATOM 878 CE1 PHE A 335 -1.311 5.751 2.075 1.00 0.00 C ATOM 879 CE2 PHE A 335 -0.524 4.039 0.548 1.00 0.00 C ATOM 880 CZ PHE A 335 -0.548 4.602 1.830 1.00 0.00 C ATOM 0 H PHE A 335 -4.607 4.516 -2.808 1.00 0.00 H new ATOM 0 HA PHE A 335 -4.721 6.050 -0.331 1.00 0.00 H new ATOM 0 HB2 PHE A 335 -2.412 6.108 -2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 335 -2.787 7.471 -1.274 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -2.624 7.234 1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 335 -1.256 4.178 -1.474 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -1.332 6.184 3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 335 0.071 3.158 0.357 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.021 4.151 2.629 1.00 0.00 H new ATOM 890 N ALA A 336 -5.236 8.167 -1.813 1.00 0.00 N ATOM 891 CA ALA A 336 -5.953 9.217 -2.514 1.00 0.00 C ATOM 892 C ALA A 336 -4.948 10.273 -2.979 1.00 0.00 C ATOM 893 O ALA A 336 -4.416 11.039 -2.174 1.00 0.00 O ATOM 894 CB ALA A 336 -7.018 9.797 -1.579 1.00 0.00 C ATOM 0 H ALA A 336 -4.802 8.487 -0.947 1.00 0.00 H new ATOM 0 HA ALA A 336 -6.462 8.830 -3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -7.564 10.587 -2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -7.712 9.009 -1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -6.538 10.208 -0.691 1.00 0.00 H new ATOM 900 N THR A 337 -4.701 10.294 -4.294 1.00 0.00 N ATOM 901 CA THR A 337 -3.682 11.094 -4.969 1.00 0.00 C ATOM 902 C THR A 337 -2.275 10.855 -4.436 1.00 0.00 C ATOM 903 O THR A 337 -2.062 10.611 -3.249 1.00 0.00 O ATOM 904 CB THR A 337 -4.026 12.579 -4.979 1.00 0.00 C ATOM 905 OG1 THR A 337 -4.075 13.123 -3.681 1.00 0.00 O ATOM 906 CG2 THR A 337 -5.370 12.764 -5.678 1.00 0.00 C ATOM 0 H THR A 337 -5.237 9.722 -4.947 1.00 0.00 H new ATOM 0 HA THR A 337 -3.682 10.748 -6.003 1.00 0.00 H new ATOM 0 HB THR A 337 -3.240 13.111 -5.515 1.00 0.00 H new ATOM 0 HG1 THR A 337 -3.838 12.432 -3.028 1.00 0.00 H new ATOM 0 HG21 THR A 337 -5.630 13.823 -5.693 1.00 0.00 H new ATOM 0 HG22 THR A 337 -5.302 12.393 -6.701 1.00 0.00 H new ATOM 0 HG23 THR A 337 -6.139 12.209 -5.140 1.00 0.00 H new ATOM 914 N HIS A 338 -1.296 10.931 -5.343 1.00 0.00 N ATOM 915 CA HIS A 338 0.092 10.632 -5.031 1.00 0.00 C ATOM 916 C HIS A 338 0.568 11.384 -3.790 1.00 0.00 C ATOM 917 O HIS A 338 1.521 10.962 -3.142 1.00 0.00 O ATOM 918 CB HIS A 338 0.943 10.964 -6.254 1.00 0.00 C ATOM 919 CG HIS A 338 2.383 10.556 -6.109 1.00 0.00 C ATOM 920 ND1 HIS A 338 2.868 9.273 -6.000 1.00 0.00 N ATOM 921 CD2 HIS A 338 3.456 11.403 -6.062 1.00 0.00 C ATOM 922 CE1 HIS A 338 4.207 9.350 -5.910 1.00 0.00 C ATOM 923 NE2 HIS A 338 4.617 10.630 -5.948 1.00 0.00 N ATOM 0 H HIS A 338 -1.451 11.203 -6.314 1.00 0.00 H new ATOM 0 HA HIS A 338 0.191 9.572 -4.796 1.00 0.00 H new ATOM 0 HB2 HIS A 338 0.519 10.469 -7.128 1.00 0.00 H new ATOM 0 HB3 HIS A 338 0.894 12.037 -6.441 1.00 0.00 H new ATOM 0 HD2 HIS A 338 3.414 12.481 -6.105 1.00 0.00 H new ATOM 0 HE1 HIS A 338 4.865 8.498 -5.819 1.00 0.00 H new ATOM 0 HE2 HIS A 338 5.578 10.969 -5.903 1.00 0.00 H new ATOM 931 N GLU A 339 -0.093 12.495 -3.456 1.00 0.00 N ATOM 932 CA GLU A 339 0.219 13.282 -2.277 1.00 0.00 C ATOM 933 C GLU A 339 0.004 12.483 -0.994 1.00 0.00 C ATOM 934 O GLU A 339 0.826 12.565 -0.085 1.00 0.00 O ATOM 935 CB GLU A 339 -0.662 14.528 -2.278 1.00 0.00 C ATOM 936 CG GLU A 339 -0.239 15.418 -3.443 1.00 0.00 C ATOM 937 CD GLU A 339 -1.070 16.698 -3.494 1.00 0.00 C ATOM 938 OE1 GLU A 339 -0.771 17.613 -2.694 1.00 0.00 O ATOM 939 OE2 GLU A 339 -1.997 16.754 -4.333 1.00 0.00 O ATOM 0 H GLU A 339 -0.865 12.871 -4.006 1.00 0.00 H new ATOM 0 HA GLU A 339 1.272 13.563 -2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -1.711 14.250 -2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -0.560 15.065 -1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 339 0.817 15.671 -3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -0.351 14.872 -4.380 1.00 0.00 H new ATOM 946 N GLU A 340 -1.081 11.709 -0.899 1.00 0.00 N ATOM 947 CA GLU A 340 -1.280 10.862 0.272 1.00 0.00 C ATOM 948 C GLU A 340 -0.353 9.647 0.231 1.00 0.00 C ATOM 949 O GLU A 340 0.016 9.137 1.288 1.00 0.00 O ATOM 950 CB GLU A 340 -2.736 10.405 0.364 1.00 0.00 C ATOM 951 CG GLU A 340 -3.675 11.588 0.618 1.00 0.00 C ATOM 952 CD GLU A 340 -3.416 12.229 1.980 1.00 0.00 C ATOM 953 OE1 GLU A 340 -3.902 11.663 2.984 1.00 0.00 O ATOM 954 OE2 GLU A 340 -2.734 13.277 2.007 1.00 0.00 O ATOM 0 H GLU A 340 -1.817 11.653 -1.603 1.00 0.00 H new ATOM 0 HA GLU A 340 -1.039 11.452 1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -3.021 9.903 -0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -2.841 9.676 1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -3.543 12.333 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -4.710 11.250 0.565 1.00 0.00 H new ATOM 961 N ALA A 341 0.035 9.167 -0.959 1.00 0.00 N ATOM 962 CA ALA A 341 0.938 8.018 -1.006 1.00 0.00 C ATOM 963 C ALA A 341 2.349 8.415 -0.554 1.00 0.00 C ATOM 964 O ALA A 341 3.017 7.627 0.117 1.00 0.00 O ATOM 965 CB ALA A 341 0.971 7.375 -2.398 1.00 0.00 C ATOM 0 H ALA A 341 -0.250 9.540 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 341 0.551 7.271 -0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 341 1.654 6.525 -2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 341 -0.029 7.034 -2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 341 1.312 8.108 -3.129 1.00 0.00 H new ATOM 971 N VAL A 342 2.825 9.618 -0.900 1.00 0.00 N ATOM 972 CA VAL A 342 4.132 10.068 -0.427 1.00 0.00 C ATOM 973 C VAL A 342 4.050 10.565 1.013 1.00 0.00 C ATOM 974 O VAL A 342 5.059 10.569 1.714 1.00 0.00 O ATOM 975 CB VAL A 342 4.726 11.161 -1.320 1.00 0.00 C ATOM 976 CG1 VAL A 342 4.868 10.656 -2.752 1.00 0.00 C ATOM 977 CG2 VAL A 342 3.886 12.437 -1.299 1.00 0.00 C ATOM 0 H VAL A 342 2.332 10.284 -1.495 1.00 0.00 H new ATOM 0 HA VAL A 342 4.794 9.203 -0.471 1.00 0.00 H new ATOM 0 HB VAL A 342 5.711 11.405 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 342 5.291 11.444 -3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 342 5.526 9.787 -2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.888 10.376 -3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 342 4.344 13.185 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 342 2.880 12.216 -1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 342 3.834 12.821 -0.280 1.00 0.00 H new ATOM 987 N ALA A 343 2.863 10.985 1.465 1.00 0.00 N ATOM 988 CA ALA A 343 2.678 11.359 2.856 1.00 0.00 C ATOM 989 C ALA A 343 2.748 10.113 3.738 1.00 0.00 C ATOM 990 O ALA A 343 2.966 10.217 4.944 1.00 0.00 O ATOM 991 CB ALA A 343 1.332 12.061 3.029 1.00 0.00 C ATOM 0 H ALA A 343 2.027 11.071 0.887 1.00 0.00 H new ATOM 0 HA ALA A 343 3.470 12.045 3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 343 1.198 12.339 4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 343 1.307 12.957 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 343 0.529 11.388 2.727 1.00 0.00 H new ATOM 997 N ALA A 344 2.563 8.936 3.130 1.00 0.00 N ATOM 998 CA ALA A 344 2.672 7.661 3.812 1.00 0.00 C ATOM 999 C ALA A 344 4.057 7.041 3.611 1.00 0.00 C ATOM 1000 O ALA A 344 4.417 6.095 4.311 1.00 0.00 O ATOM 1001 CB ALA A 344 1.578 6.738 3.285 1.00 0.00 C ATOM 0 H ALA A 344 2.331 8.851 2.140 1.00 0.00 H new ATOM 0 HA ALA A 344 2.545 7.809 4.884 1.00 0.00 H new ATOM 0 HB1 ALA A 344 1.644 5.773 3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 344 0.602 7.182 3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 344 1.706 6.598 2.212 1.00 0.00 H new ATOM 1007 N MET A 345 4.840 7.567 2.661 1.00 0.00 N ATOM 1008 CA MET A 345 6.217 7.140 2.455 1.00 0.00 C ATOM 1009 C MET A 345 7.108 7.695 3.566 1.00 0.00 C ATOM 1010 O MET A 345 7.794 8.701 3.397 1.00 0.00 O ATOM 1011 CB MET A 345 6.701 7.536 1.057 1.00 0.00 C ATOM 1012 CG MET A 345 8.184 7.211 0.852 1.00 0.00 C ATOM 1013 SD MET A 345 8.765 5.646 1.566 1.00 0.00 S ATOM 1014 CE MET A 345 7.706 4.474 0.682 1.00 0.00 C ATOM 0 H MET A 345 4.532 8.297 2.019 1.00 0.00 H new ATOM 0 HA MET A 345 6.272 6.053 2.508 1.00 0.00 H new ATOM 0 HB2 MET A 345 6.108 7.014 0.306 1.00 0.00 H new ATOM 0 HB3 MET A 345 6.539 8.603 0.906 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.387 7.196 -0.219 1.00 0.00 H new ATOM 0 HG3 MET A 345 8.775 8.022 1.277 1.00 0.00 H new ATOM 0 HE1 MET A 345 7.961 3.457 0.980 1.00 0.00 H new ATOM 0 HE2 MET A 345 6.662 4.672 0.925 1.00 0.00 H new ATOM 0 HE3 MET A 345 7.856 4.586 -0.392 1.00 0.00 H new ATOM 1024 N SER A 346 7.084 7.017 4.716 1.00 0.00 N ATOM 1025 CA SER A 346 7.902 7.354 5.870 1.00 0.00 C ATOM 1026 C SER A 346 8.274 6.080 6.630 1.00 0.00 C ATOM 1027 O SER A 346 8.687 6.141 7.787 1.00 0.00 O ATOM 1028 CB SER A 346 7.128 8.328 6.762 1.00 0.00 C ATOM 1029 OG SER A 346 7.963 8.822 7.788 1.00 0.00 O ATOM 0 H SER A 346 6.484 6.206 4.868 1.00 0.00 H new ATOM 0 HA SER A 346 8.827 7.834 5.549 1.00 0.00 H new ATOM 0 HB2 SER A 346 6.747 9.156 6.164 1.00 0.00 H new ATOM 0 HB3 SER A 346 6.264 7.825 7.197 1.00 0.00 H new ATOM 0 HG SER A 346 8.491 8.086 8.163 1.00 0.00 H new ATOM 1035 N LYS A 347 8.126 4.921 5.977 1.00 0.00 N ATOM 1036 CA LYS A 347 8.344 3.618 6.592 1.00 0.00 C ATOM 1037 C LYS A 347 9.057 2.662 5.635 1.00 0.00 C ATOM 1038 O LYS A 347 9.011 1.457 5.859 1.00 0.00 O ATOM 1039 CB LYS A 347 6.996 3.029 7.029 1.00 0.00 C ATOM 1040 CG LYS A 347 6.369 3.797 8.196 1.00 0.00 C ATOM 1041 CD LYS A 347 7.213 3.656 9.465 1.00 0.00 C ATOM 1042 CE LYS A 347 6.538 4.413 10.602 1.00 0.00 C ATOM 1043 NZ LYS A 347 7.279 4.251 11.868 1.00 0.00 N ATOM 0 H LYS A 347 7.849 4.867 4.997 1.00 0.00 H new ATOM 0 HA LYS A 347 8.985 3.749 7.463 1.00 0.00 H new ATOM 0 HB2 LYS A 347 6.309 3.036 6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 347 7.135 1.987 7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 347 6.275 4.851 7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 347 5.362 3.424 8.382 1.00 0.00 H new ATOM 0 HD2 LYS A 347 7.323 2.604 9.728 1.00 0.00 H new ATOM 0 HD3 LYS A 347 8.215 4.049 9.295 1.00 0.00 H new ATOM 0 HE2 LYS A 347 6.473 5.471 10.349 1.00 0.00 H new ATOM 0 HE3 LYS A 347 5.517 4.052 10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 6.795 4.778 12.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 7.319 3.243 12.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 8.245 4.618 11.754 1.00 0.00 H new ATOM 1057 N ASP A 348 9.699 3.206 4.591 1.00 0.00 N ATOM 1058 CA ASP A 348 10.432 2.499 3.535 1.00 0.00 C ATOM 1059 C ASP A 348 10.617 1.007 3.805 1.00 0.00 C ATOM 1060 O ASP A 348 10.083 0.177 3.069 1.00 0.00 O ATOM 1061 CB ASP A 348 11.780 3.196 3.352 1.00 0.00 C ATOM 1062 CG ASP A 348 12.547 2.624 2.163 1.00 0.00 C ATOM 1063 OD1 ASP A 348 12.338 3.135 1.041 1.00 0.00 O ATOM 1064 OD2 ASP A 348 13.334 1.682 2.393 1.00 0.00 O ATOM 0 H ASP A 348 9.720 4.217 4.455 1.00 0.00 H new ATOM 0 HA ASP A 348 9.840 2.545 2.621 1.00 0.00 H new ATOM 0 HB2 ASP A 348 11.622 4.264 3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 348 12.375 3.084 4.258 1.00 0.00 H new ATOM 1069 N ARG A 349 11.366 0.662 4.854 1.00 0.00 N ATOM 1070 CA ARG A 349 11.533 -0.721 5.273 1.00 0.00 C ATOM 1071 C ARG A 349 11.706 -0.781 6.796 1.00 0.00 C ATOM 1072 O ARG A 349 12.463 -1.596 7.318 1.00 0.00 O ATOM 1073 CB ARG A 349 12.650 -1.388 4.477 1.00 0.00 C ATOM 1074 CG ARG A 349 14.000 -0.699 4.630 1.00 0.00 C ATOM 1075 CD ARG A 349 14.797 -1.139 3.413 1.00 0.00 C ATOM 1076 NE ARG A 349 16.219 -0.802 3.541 1.00 0.00 N ATOM 1077 CZ ARG A 349 16.766 0.357 3.159 1.00 0.00 C ATOM 1078 NH1 ARG A 349 16.026 1.326 2.630 1.00 0.00 N ATOM 1079 NH2 ARG A 349 18.075 0.550 3.305 1.00 0.00 N ATOM 0 H ARG A 349 11.870 1.335 5.432 1.00 0.00 H new ATOM 0 HA ARG A 349 10.638 -1.302 5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 349 12.743 -2.426 4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 349 12.375 -1.402 3.422 1.00 0.00 H new ATOM 0 HG2 ARG A 349 13.890 0.385 4.661 1.00 0.00 H new ATOM 0 HG3 ARG A 349 14.494 -0.996 5.555 1.00 0.00 H new ATOM 0 HD2 ARG A 349 14.689 -2.215 3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 349 14.390 -0.664 2.521 1.00 0.00 H new ATOM 0 HE ARG A 349 16.836 -1.503 3.951 1.00 0.00 H new ATOM 0 HH11 ARG A 349 15.022 1.193 2.509 1.00 0.00 H new ATOM 0 HH12 ARG A 349 16.462 2.203 2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 349 18.657 -0.185 3.707 1.00 0.00 H new ATOM 0 HH22 ARG A 349 18.496 1.433 3.015 1.00 0.00 H new ATOM 1093 N ALA A 350 10.985 0.105 7.494 1.00 0.00 N ATOM 1094 CA ALA A 350 11.048 0.308 8.936 1.00 0.00 C ATOM 1095 C ALA A 350 10.544 -0.890 9.749 1.00 0.00 C ATOM 1096 O ALA A 350 9.970 -1.833 9.210 1.00 0.00 O ATOM 1097 CB ALA A 350 10.203 1.540 9.268 1.00 0.00 C ATOM 0 H ALA A 350 10.313 0.725 7.043 1.00 0.00 H new ATOM 0 HA ALA A 350 12.095 0.439 9.210 1.00 0.00 H new ATOM 0 HB1 ALA A 350 10.229 1.720 10.343 1.00 0.00 H new ATOM 0 HB2 ALA A 350 10.604 2.408 8.745 1.00 0.00 H new ATOM 0 HB3 ALA A 350 9.173 1.370 8.953 1.00 0.00 H new ATOM 1103 N ASN A 351 10.765 -0.839 11.067 1.00 0.00 N ATOM 1104 CA ASN A 351 10.312 -1.852 12.014 1.00 0.00 C ATOM 1105 C ASN A 351 8.809 -1.703 12.287 1.00 0.00 C ATOM 1106 O ASN A 351 8.185 -0.744 11.833 1.00 0.00 O ATOM 1107 CB ASN A 351 11.129 -1.687 13.301 1.00 0.00 C ATOM 1108 CG ASN A 351 10.879 -2.796 14.318 1.00 0.00 C ATOM 1109 OD1 ASN A 351 10.537 -3.919 13.962 1.00 0.00 O ATOM 1110 ND2 ASN A 351 11.049 -2.482 15.600 1.00 0.00 N ATOM 0 H ASN A 351 11.275 -0.075 11.510 1.00 0.00 H new ATOM 0 HA ASN A 351 10.463 -2.851 11.605 1.00 0.00 H new ATOM 0 HB2 ASN A 351 12.190 -1.665 13.050 1.00 0.00 H new ATOM 0 HB3 ASN A 351 10.889 -0.726 13.755 1.00 0.00 H new ATOM 0 HD21 ASN A 351 10.894 -3.185 16.322 1.00 0.00 H new ATOM 0 HD22 ASN A 351 11.334 -1.538 15.860 1.00 0.00 H new ATOM 1117 N MET A 352 8.223 -2.651 13.030 1.00 0.00 N ATOM 1118 CA MET A 352 6.813 -2.597 13.398 1.00 0.00 C ATOM 1119 C MET A 352 6.561 -3.192 14.784 1.00 0.00 C ATOM 1120 O MET A 352 5.817 -2.598 15.563 1.00 0.00 O ATOM 1121 CB MET A 352 5.996 -3.341 12.340 1.00 0.00 C ATOM 1122 CG MET A 352 4.524 -3.410 12.746 1.00 0.00 C ATOM 1123 SD MET A 352 3.442 -4.185 11.517 1.00 0.00 S ATOM 1124 CE MET A 352 3.214 -2.784 10.395 1.00 0.00 C ATOM 0 H MET A 352 8.714 -3.470 13.388 1.00 0.00 H new ATOM 0 HA MET A 352 6.506 -1.552 13.441 1.00 0.00 H new ATOM 0 HB2 MET A 352 6.090 -2.836 11.379 1.00 0.00 H new ATOM 0 HB3 MET A 352 6.391 -4.349 12.211 1.00 0.00 H new ATOM 0 HG2 MET A 352 4.444 -3.963 13.682 1.00 0.00 H new ATOM 0 HG3 MET A 352 4.166 -2.399 12.941 1.00 0.00 H new ATOM 0 HE1 MET A 352 2.885 -3.147 9.421 1.00 0.00 H new ATOM 0 HE2 MET A 352 2.461 -2.110 10.803 1.00 0.00 H new ATOM 0 HE3 MET A 352 4.158 -2.250 10.283 1.00 0.00 H new ATOM 1134 N GLN A 353 7.158 -4.346 15.112 1.00 0.00 N ATOM 1135 CA GLN A 353 6.963 -4.943 16.432 1.00 0.00 C ATOM 1136 C GLN A 353 7.991 -6.013 16.792 1.00 0.00 C ATOM 1137 O GLN A 353 8.235 -6.238 17.976 1.00 0.00 O ATOM 1138 CB GLN A 353 5.573 -5.567 16.522 1.00 0.00 C ATOM 1139 CG GLN A 353 5.328 -6.659 15.484 1.00 0.00 C ATOM 1140 CD GLN A 353 3.877 -7.099 15.557 1.00 0.00 C ATOM 1141 OE1 GLN A 353 3.575 -8.265 15.794 1.00 0.00 O ATOM 1142 NE2 GLN A 353 2.967 -6.153 15.349 1.00 0.00 N ATOM 0 H GLN A 353 7.770 -4.875 14.490 1.00 0.00 H new ATOM 0 HA GLN A 353 7.084 -4.125 17.142 1.00 0.00 H new ATOM 0 HB2 GLN A 353 5.435 -5.987 17.519 1.00 0.00 H new ATOM 0 HB3 GLN A 353 4.824 -4.785 16.399 1.00 0.00 H new ATOM 0 HG2 GLN A 353 5.558 -6.287 14.486 1.00 0.00 H new ATOM 0 HG3 GLN A 353 5.988 -7.507 15.668 1.00 0.00 H new ATOM 0 HE21 GLN A 353 3.261 -5.196 15.155 1.00 0.00 H new ATOM 0 HE22 GLN A 353 1.974 -6.384 15.383 1.00 0.00 H new ATOM 1151 N HIS A 354 8.599 -6.675 15.801 1.00 0.00 N ATOM 1152 CA HIS A 354 9.494 -7.788 16.092 1.00 0.00 C ATOM 1153 C HIS A 354 10.486 -8.073 14.963 1.00 0.00 C ATOM 1154 O HIS A 354 11.504 -8.728 15.185 1.00 0.00 O ATOM 1155 CB HIS A 354 8.634 -9.026 16.372 1.00 0.00 C ATOM 1156 CG HIS A 354 8.192 -9.764 15.133 1.00 0.00 C ATOM 1157 ND1 HIS A 354 8.436 -11.087 14.845 1.00 0.00 N ATOM 1158 CD2 HIS A 354 7.475 -9.252 14.085 1.00 0.00 C ATOM 1159 CE1 HIS A 354 7.881 -11.359 13.652 1.00 0.00 C ATOM 1160 NE2 HIS A 354 7.280 -10.270 13.145 1.00 0.00 N ATOM 0 H HIS A 354 8.488 -6.461 14.810 1.00 0.00 H new ATOM 0 HA HIS A 354 10.099 -7.524 16.959 1.00 0.00 H new ATOM 0 HB2 HIS A 354 9.197 -9.710 17.007 1.00 0.00 H new ATOM 0 HB3 HIS A 354 7.751 -8.722 16.935 1.00 0.00 H new ATOM 0 HD2 HIS A 354 7.120 -8.236 13.999 1.00 0.00 H new ATOM 0 HE1 HIS A 354 7.914 -12.323 13.166 1.00 0.00 H new ATOM 0 HE2 HIS A 354 6.783 -10.200 12.257 1.00 0.00 H new ATOM 1168 N ARG A 355 10.193 -7.583 13.757 1.00 0.00 N ATOM 1169 CA ARG A 355 11.056 -7.700 12.592 1.00 0.00 C ATOM 1170 C ARG A 355 10.685 -6.567 11.642 1.00 0.00 C ATOM 1171 O ARG A 355 9.663 -5.912 11.849 1.00 0.00 O ATOM 1172 CB ARG A 355 10.840 -9.061 11.925 1.00 0.00 C ATOM 1173 CG ARG A 355 12.121 -9.565 11.256 1.00 0.00 C ATOM 1174 CD ARG A 355 13.153 -9.994 12.300 1.00 0.00 C ATOM 1175 NE ARG A 355 14.358 -10.528 11.657 1.00 0.00 N ATOM 1176 CZ ARG A 355 15.412 -11.003 12.326 1.00 0.00 C ATOM 1177 NH1 ARG A 355 15.427 -11.014 13.658 1.00 0.00 N ATOM 1178 NH2 ARG A 355 16.465 -11.472 11.660 1.00 0.00 N ATOM 0 H ARG A 355 9.326 -7.082 13.564 1.00 0.00 H new ATOM 0 HA ARG A 355 12.108 -7.630 12.869 1.00 0.00 H new ATOM 0 HB2 ARG A 355 10.508 -9.784 12.670 1.00 0.00 H new ATOM 0 HB3 ARG A 355 10.047 -8.982 11.182 1.00 0.00 H new ATOM 0 HG2 ARG A 355 11.888 -10.406 10.603 1.00 0.00 H new ATOM 0 HG3 ARG A 355 12.540 -8.780 10.627 1.00 0.00 H new ATOM 0 HD2 ARG A 355 13.418 -9.142 12.927 1.00 0.00 H new ATOM 0 HD3 ARG A 355 12.720 -10.750 12.955 1.00 0.00 H new ATOM 0 HE ARG A 355 14.393 -10.537 10.638 1.00 0.00 H new ATOM 0 HH11 ARG A 355 14.627 -10.657 14.180 1.00 0.00 H new ATOM 0 HH12 ARG A 355 16.239 -11.380 14.156 1.00 0.00 H new ATOM 0 HH21 ARG A 355 16.466 -11.468 10.640 1.00 0.00 H new ATOM 0 HH22 ARG A 355 17.270 -11.835 12.170 1.00 0.00 H new ATOM 1192 N TYR A 356 11.487 -6.319 10.604 1.00 0.00 N ATOM 1193 CA TYR A 356 11.196 -5.197 9.728 1.00 0.00 C ATOM 1194 C TYR A 356 9.922 -5.430 8.917 1.00 0.00 C ATOM 1195 O TYR A 356 9.401 -6.540 8.861 1.00 0.00 O ATOM 1196 CB TYR A 356 12.439 -4.784 8.926 1.00 0.00 C ATOM 1197 CG TYR A 356 12.745 -5.364 7.555 1.00 0.00 C ATOM 1198 CD1 TYR A 356 12.231 -4.730 6.410 1.00 0.00 C ATOM 1199 CD2 TYR A 356 13.560 -6.500 7.407 1.00 0.00 C ATOM 1200 CE1 TYR A 356 12.578 -5.183 5.130 1.00 0.00 C ATOM 1201 CE2 TYR A 356 13.930 -6.941 6.128 1.00 0.00 C ATOM 1202 CZ TYR A 356 13.450 -6.277 4.982 1.00 0.00 C ATOM 1203 OH TYR A 356 13.823 -6.688 3.736 1.00 0.00 O ATOM 0 H TYR A 356 12.315 -6.863 10.360 1.00 0.00 H new ATOM 0 HA TYR A 356 10.961 -4.319 10.330 1.00 0.00 H new ATOM 0 HB2 TYR A 356 12.389 -3.702 8.805 1.00 0.00 H new ATOM 0 HB3 TYR A 356 13.303 -4.995 9.556 1.00 0.00 H new ATOM 0 HD1 TYR A 356 11.564 -3.888 6.518 1.00 0.00 H new ATOM 0 HD2 TYR A 356 13.902 -7.035 8.281 1.00 0.00 H new ATOM 0 HE1 TYR A 356 12.176 -4.692 4.256 1.00 0.00 H new ATOM 0 HE2 TYR A 356 14.585 -7.793 6.021 1.00 0.00 H new ATOM 0 HH TYR A 356 14.429 -7.455 3.812 1.00 0.00 H new ATOM 1213 N ILE A 357 9.421 -4.371 8.285 1.00 0.00 N ATOM 1214 CA ILE A 357 8.252 -4.399 7.422 1.00 0.00 C ATOM 1215 C ILE A 357 8.569 -3.462 6.270 1.00 0.00 C ATOM 1216 O ILE A 357 9.386 -2.557 6.426 1.00 0.00 O ATOM 1217 CB ILE A 357 7.007 -3.922 8.184 1.00 0.00 C ATOM 1218 CG1 ILE A 357 6.629 -4.881 9.321 1.00 0.00 C ATOM 1219 CG2 ILE A 357 5.805 -3.771 7.245 1.00 0.00 C ATOM 1220 CD1 ILE A 357 6.199 -6.263 8.831 1.00 0.00 C ATOM 0 H ILE A 357 9.834 -3.442 8.365 1.00 0.00 H new ATOM 0 HA ILE A 357 8.036 -5.408 7.069 1.00 0.00 H new ATOM 0 HB ILE A 357 7.262 -2.952 8.611 1.00 0.00 H new ATOM 0 HG12 ILE A 357 7.481 -4.990 9.992 1.00 0.00 H new ATOM 0 HG13 ILE A 357 5.819 -4.442 9.903 1.00 0.00 H new ATOM 0 HG21 ILE A 357 4.939 -3.432 7.814 1.00 0.00 H new ATOM 0 HG22 ILE A 357 6.038 -3.041 6.470 1.00 0.00 H new ATOM 0 HG23 ILE A 357 5.582 -4.732 6.783 1.00 0.00 H new ATOM 0 HD11 ILE A 357 5.946 -6.890 9.686 1.00 0.00 H new ATOM 0 HD12 ILE A 357 5.328 -6.165 8.183 1.00 0.00 H new ATOM 0 HD13 ILE A 357 7.016 -6.722 8.274 1.00 0.00 H new ATOM 1232 N GLU A 358 7.941 -3.659 5.115 1.00 0.00 N ATOM 1233 CA GLU A 358 8.310 -2.872 3.958 1.00 0.00 C ATOM 1234 C GLU A 358 7.104 -2.566 3.086 1.00 0.00 C ATOM 1235 O GLU A 358 6.143 -3.330 3.034 1.00 0.00 O ATOM 1236 CB GLU A 358 9.420 -3.617 3.209 1.00 0.00 C ATOM 1237 CG GLU A 358 8.990 -4.972 2.631 1.00 0.00 C ATOM 1238 CD GLU A 358 8.535 -4.892 1.169 1.00 0.00 C ATOM 1239 OE1 GLU A 358 8.023 -3.826 0.761 1.00 0.00 O ATOM 1240 OE2 GLU A 358 8.704 -5.910 0.462 1.00 0.00 O ATOM 0 H GLU A 358 7.196 -4.338 4.962 1.00 0.00 H new ATOM 0 HA GLU A 358 8.691 -1.899 4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 358 9.781 -2.986 2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 358 10.259 -3.774 3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 358 9.822 -5.672 2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 358 8.178 -5.375 3.235 1.00 0.00 H new ATOM 1247 N LEU A 359 7.183 -1.423 2.402 1.00 0.00 N ATOM 1248 CA LEU A 359 6.165 -0.955 1.484 1.00 0.00 C ATOM 1249 C LEU A 359 6.856 -0.195 0.355 1.00 0.00 C ATOM 1250 O LEU A 359 7.758 0.604 0.596 1.00 0.00 O ATOM 1251 CB LEU A 359 5.097 -0.149 2.244 1.00 0.00 C ATOM 1252 CG LEU A 359 5.500 1.157 2.949 1.00 0.00 C ATOM 1253 CD1 LEU A 359 6.835 1.101 3.684 1.00 0.00 C ATOM 1254 CD2 LEU A 359 5.508 2.343 1.989 1.00 0.00 C ATOM 0 H LEU A 359 7.978 -0.789 2.479 1.00 0.00 H new ATOM 0 HA LEU A 359 5.620 -1.780 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.303 0.092 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 359 4.664 -0.807 2.997 1.00 0.00 H new ATOM 0 HG LEU A 359 4.727 1.293 3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 359 7.035 2.066 4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 359 6.795 0.329 4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 359 7.631 0.868 2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 359 5.798 3.245 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 359 6.220 2.156 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 359 4.512 2.477 1.567 1.00 0.00 H new ATOM 1266 N PHE A 360 6.438 -0.442 -0.888 1.00 0.00 N ATOM 1267 CA PHE A 360 7.178 0.038 -2.049 1.00 0.00 C ATOM 1268 C PHE A 360 6.201 0.688 -3.025 1.00 0.00 C ATOM 1269 O PHE A 360 5.183 0.091 -3.375 1.00 0.00 O ATOM 1270 CB PHE A 360 7.942 -1.151 -2.660 1.00 0.00 C ATOM 1271 CG PHE A 360 9.341 -0.847 -3.170 1.00 0.00 C ATOM 1272 CD1 PHE A 360 9.539 0.108 -4.179 1.00 0.00 C ATOM 1273 CD2 PHE A 360 10.457 -1.521 -2.640 1.00 0.00 C ATOM 1274 CE1 PHE A 360 10.831 0.382 -4.653 1.00 0.00 C ATOM 1275 CE2 PHE A 360 11.737 -1.245 -3.109 1.00 0.00 C ATOM 1276 CZ PHE A 360 11.933 -0.297 -4.121 1.00 0.00 C ATOM 0 H PHE A 360 5.594 -0.970 -1.113 1.00 0.00 H new ATOM 0 HA PHE A 360 7.911 0.798 -1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 360 8.013 -1.938 -1.909 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.354 -1.551 -3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 360 8.692 0.635 -4.593 1.00 0.00 H new ATOM 0 HD2 PHE A 360 10.318 -2.258 -1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 360 10.975 1.118 -5.430 1.00 0.00 H new ATOM 0 HE2 PHE A 360 12.586 -1.765 -2.690 1.00 0.00 H new ATOM 0 HZ PHE A 360 12.928 -0.091 -4.488 1.00 0.00 H new ATOM 1286 N LEU A 361 6.516 1.914 -3.457 1.00 0.00 N ATOM 1287 CA LEU A 361 5.615 2.762 -4.231 1.00 0.00 C ATOM 1288 C LEU A 361 5.038 2.051 -5.457 1.00 0.00 C ATOM 1289 O LEU A 361 5.711 1.248 -6.103 1.00 0.00 O ATOM 1290 CB LEU A 361 6.357 4.044 -4.635 1.00 0.00 C ATOM 1291 CG LEU A 361 5.691 5.304 -4.068 1.00 0.00 C ATOM 1292 CD1 LEU A 361 6.515 6.536 -4.437 1.00 0.00 C ATOM 1293 CD2 LEU A 361 4.282 5.488 -4.625 1.00 0.00 C ATOM 0 H LEU A 361 7.420 2.348 -3.273 1.00 0.00 H new ATOM 0 HA LEU A 361 4.761 3.011 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.388 3.991 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 361 6.394 4.113 -5.722 1.00 0.00 H new ATOM 0 HG LEU A 361 5.635 5.187 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 361 6.037 7.428 -4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 361 7.518 6.441 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 361 6.579 6.620 -5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 361 3.839 6.390 -4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 361 4.329 5.580 -5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 361 3.671 4.625 -4.360 1.00 0.00 H new ATOM 1305 N ASN A 362 3.775 2.360 -5.770 1.00 0.00 N ATOM 1306 CA ASN A 362 3.064 1.851 -6.925 1.00 0.00 C ATOM 1307 C ASN A 362 2.097 2.934 -7.415 1.00 0.00 C ATOM 1308 O ASN A 362 0.943 2.665 -7.749 1.00 0.00 O ATOM 1309 CB ASN A 362 2.362 0.543 -6.548 1.00 0.00 C ATOM 1310 CG ASN A 362 1.745 -0.112 -7.771 1.00 0.00 C ATOM 1311 OD1 ASN A 362 0.562 -0.435 -7.786 1.00 0.00 O ATOM 1312 ND2 ASN A 362 2.553 -0.310 -8.806 1.00 0.00 N ATOM 0 H ASN A 362 3.211 2.992 -5.202 1.00 0.00 H new ATOM 0 HA ASN A 362 3.743 1.620 -7.746 1.00 0.00 H new ATOM 0 HB2 ASN A 362 3.077 -0.139 -6.087 1.00 0.00 H new ATOM 0 HB3 ASN A 362 1.588 0.742 -5.807 1.00 0.00 H new ATOM 0 HD21 ASN A 362 2.196 -0.746 -9.656 1.00 0.00 H new ATOM 0 HD22 ASN A 362 3.531 -0.026 -8.751 1.00 0.00 H new ATOM 1319 N SER A 363 2.589 4.178 -7.454 1.00 0.00 N ATOM 1320 CA SER A 363 1.826 5.320 -7.932 1.00 0.00 C ATOM 1321 C SER A 363 2.744 6.454 -8.372 1.00 0.00 C ATOM 1322 O SER A 363 3.955 6.405 -8.163 1.00 0.00 O ATOM 1323 CB SER A 363 0.912 5.832 -6.819 1.00 0.00 C ATOM 1324 OG SER A 363 1.653 6.432 -5.779 1.00 0.00 O ATOM 0 H SER A 363 3.534 4.414 -7.151 1.00 0.00 H new ATOM 0 HA SER A 363 1.236 4.992 -8.788 1.00 0.00 H new ATOM 0 HB2 SER A 363 0.207 6.555 -7.229 1.00 0.00 H new ATOM 0 HB3 SER A 363 0.325 5.005 -6.419 1.00 0.00 H new ATOM 0 HG SER A 363 1.889 7.349 -6.032 1.00 0.00 H new ATOM 1330 N THR A 364 2.151 7.481 -8.986 1.00 0.00 N ATOM 1331 CA THR A 364 2.846 8.707 -9.344 1.00 0.00 C ATOM 1332 C THR A 364 1.828 9.834 -9.499 1.00 0.00 C ATOM 1333 O THR A 364 0.625 9.588 -9.581 1.00 0.00 O ATOM 1334 CB THR A 364 3.681 8.511 -10.611 1.00 0.00 C ATOM 1335 OG1 THR A 364 4.423 9.679 -10.878 1.00 0.00 O ATOM 1336 CG2 THR A 364 2.790 8.215 -11.808 1.00 0.00 C ATOM 0 H THR A 364 1.165 7.479 -9.248 1.00 0.00 H new ATOM 0 HA THR A 364 3.542 8.978 -8.550 1.00 0.00 H new ATOM 0 HB THR A 364 4.351 7.667 -10.447 1.00 0.00 H new ATOM 0 HG1 THR A 364 4.958 9.549 -11.689 1.00 0.00 H new ATOM 0 HG21 THR A 364 3.407 8.080 -12.696 1.00 0.00 H new ATOM 0 HG22 THR A 364 2.219 7.305 -11.621 1.00 0.00 H new ATOM 0 HG23 THR A 364 2.104 9.048 -11.966 1.00 0.00 H new ATOM 1344 N THR A 365 2.319 11.074 -9.539 1.00 0.00 N ATOM 1345 CA THR A 365 1.527 12.296 -9.646 1.00 0.00 C ATOM 1346 C THR A 365 0.798 12.414 -10.994 1.00 0.00 C ATOM 1347 O THR A 365 0.276 13.475 -11.335 1.00 0.00 O ATOM 1348 CB THR A 365 2.461 13.481 -9.374 1.00 0.00 C ATOM 1349 OG1 THR A 365 1.780 14.715 -9.434 1.00 0.00 O ATOM 1350 CG2 THR A 365 3.612 13.479 -10.377 1.00 0.00 C ATOM 0 H THR A 365 3.321 11.259 -9.496 1.00 0.00 H new ATOM 0 HA THR A 365 0.727 12.281 -8.906 1.00 0.00 H new ATOM 0 HB THR A 365 2.851 13.365 -8.363 1.00 0.00 H new ATOM 0 HG1 THR A 365 1.044 14.652 -10.078 1.00 0.00 H new ATOM 0 HG21 THR A 365 4.271 14.324 -10.177 1.00 0.00 H new ATOM 0 HG22 THR A 365 4.175 12.550 -10.283 1.00 0.00 H new ATOM 0 HG23 THR A 365 3.214 13.561 -11.388 1.00 0.00 H new