USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 478 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 Single : A 307 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 308 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.61) USER MOD Single : A 311 SER OG : rot 180:sc= 0 USER MOD Single : A 313 SER OG : rot 180:sc= -0.0644 USER MOD Single : A 314 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 316 TYR OH : rot 180:sc= 0 USER MOD Single : A 317 ASN : amide:sc= -0.418 K(o=-0.42,f=-3.2!) USER MOD Single : A 318 ASN : amide:sc= 0.709 K(o=0.71,f=-0.11) USER MOD Single : A 320 THR OG1 : rot 180:sc= 0.0084 USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 337 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 SER OG : rot 180:sc= 0 USER MOD Single : A 341 GLN : amide:sc= -0.0166 K(o=-0.017,f=-1.1) USER MOD Single : A 342 MET CE :methyl 169:sc= -3.52 (180deg=-3.8) USER MOD Single : A 344 THR OG1 : rot 89:sc= 0.217 USER MOD Single : A 348 MET CE :methyl 153:sc= -4.21! (180deg=-6.04!) USER MOD Single : A 349 ASN : amide:sc=-0.00229 X(o=-0.0023,f=0) USER MOD Single : A 354 GLN : amide:sc= -0.347 K(o=-0.35,f=-2.1!) USER MOD Single : A 360 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 145 N ARG A 302 7.265 16.504 -5.382 1.00 0.00 N ATOM 146 CA ARG A 302 6.547 15.241 -5.427 1.00 0.00 C ATOM 147 C ARG A 302 7.531 14.074 -5.523 1.00 0.00 C ATOM 148 O ARG A 302 7.226 12.963 -5.093 1.00 0.00 O ATOM 149 CB ARG A 302 5.590 15.193 -6.620 1.00 0.00 C ATOM 150 CG ARG A 302 4.510 14.129 -6.414 1.00 0.00 C ATOM 151 CD ARG A 302 3.454 14.607 -5.414 1.00 0.00 C ATOM 152 NE ARG A 302 2.249 15.072 -6.135 1.00 0.00 N ATOM 153 CZ ARG A 302 1.269 14.263 -6.562 1.00 0.00 C ATOM 154 NH1 ARG A 302 1.347 12.944 -6.343 1.00 0.00 N ATOM 155 NH2 ARG A 302 0.212 14.774 -7.207 1.00 0.00 N ATOM 0 HA ARG A 302 5.967 15.157 -4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 302 5.123 16.169 -6.756 1.00 0.00 H new ATOM 0 HB3 ARG A 302 6.149 14.978 -7.531 1.00 0.00 H new ATOM 0 HG2 ARG A 302 4.035 13.898 -7.368 1.00 0.00 H new ATOM 0 HG3 ARG A 302 4.966 13.207 -6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 302 3.191 13.796 -4.735 1.00 0.00 H new ATOM 0 HD3 ARG A 302 3.858 15.415 -4.804 1.00 0.00 H new ATOM 0 HE ARG A 302 2.158 16.071 -6.319 1.00 0.00 H new ATOM 0 HH11 ARG A 302 2.152 12.555 -5.851 1.00 0.00 H new ATOM 0 HH12 ARG A 302 0.602 12.328 -6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 302 0.153 15.779 -7.373 1.00 0.00 H new ATOM 0 HH22 ARG A 302 -0.534 14.158 -7.532 1.00 0.00 H new ATOM 169 N ALA A 303 8.692 14.366 -6.090 1.00 0.00 N ATOM 170 CA ALA A 303 9.723 13.354 -6.248 1.00 0.00 C ATOM 171 C ALA A 303 10.204 12.902 -4.867 1.00 0.00 C ATOM 172 O ALA A 303 10.546 11.736 -4.677 1.00 0.00 O ATOM 173 CB ALA A 303 10.860 13.913 -7.107 1.00 0.00 C ATOM 0 H ALA A 303 8.942 15.289 -6.446 1.00 0.00 H new ATOM 0 HA ALA A 303 9.326 12.479 -6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 303 11.633 13.154 -7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 303 10.472 14.192 -8.087 1.00 0.00 H new ATOM 0 HB3 ALA A 303 11.285 14.791 -6.621 1.00 0.00 H new ATOM 179 N VAL A 304 10.215 13.849 -3.941 1.00 0.00 N ATOM 180 CA VAL A 304 10.648 13.563 -2.583 1.00 0.00 C ATOM 181 C VAL A 304 9.756 12.473 -1.987 1.00 0.00 C ATOM 182 O VAL A 304 10.244 11.561 -1.320 1.00 0.00 O ATOM 183 CB VAL A 304 10.656 14.849 -1.754 1.00 0.00 C ATOM 184 CG1 VAL A 304 9.333 15.028 -1.007 1.00 0.00 C ATOM 185 CG2 VAL A 304 11.840 14.869 -0.786 1.00 0.00 C ATOM 0 H VAL A 304 9.931 14.815 -4.104 1.00 0.00 H new ATOM 0 HA VAL A 304 11.670 13.184 -2.580 1.00 0.00 H new ATOM 0 HB VAL A 304 10.769 15.689 -2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 304 9.365 15.949 -0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 304 8.514 15.080 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 304 9.176 14.182 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 304 11.823 15.793 -0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 304 11.771 14.017 -0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 304 12.771 14.810 -1.349 1.00 0.00 H new ATOM 195 N ILE A 305 8.463 12.602 -2.248 1.00 0.00 N ATOM 196 CA ILE A 305 7.498 11.639 -1.746 1.00 0.00 C ATOM 197 C ILE A 305 7.753 10.279 -2.399 1.00 0.00 C ATOM 198 O ILE A 305 7.650 9.243 -1.745 1.00 0.00 O ATOM 199 CB ILE A 305 6.072 12.158 -1.941 1.00 0.00 C ATOM 200 CG1 ILE A 305 5.858 13.472 -1.187 1.00 0.00 C ATOM 201 CG2 ILE A 305 5.043 11.097 -1.546 1.00 0.00 C ATOM 202 CD1 ILE A 305 5.074 14.472 -2.039 1.00 0.00 C ATOM 0 H ILE A 305 8.061 13.359 -2.801 1.00 0.00 H new ATOM 0 HA ILE A 305 7.619 11.504 -0.671 1.00 0.00 H new ATOM 0 HB ILE A 305 5.928 12.368 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 305 5.320 13.279 -0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 305 6.823 13.900 -0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 305 4.038 11.492 -1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 305 5.179 10.210 -2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 305 5.178 10.832 -0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 305 4.936 15.397 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 305 5.626 14.681 -2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 305 4.100 14.051 -2.290 1.00 0.00 H new ATOM 214 N GLU A 306 8.080 10.327 -3.682 1.00 0.00 N ATOM 215 CA GLU A 306 8.351 9.112 -4.432 1.00 0.00 C ATOM 216 C GLU A 306 9.586 8.406 -3.870 1.00 0.00 C ATOM 217 O GLU A 306 9.599 7.184 -3.735 1.00 0.00 O ATOM 218 CB GLU A 306 8.521 9.413 -5.922 1.00 0.00 C ATOM 219 CG GLU A 306 7.234 9.991 -6.515 1.00 0.00 C ATOM 220 CD GLU A 306 7.039 9.525 -7.959 1.00 0.00 C ATOM 221 OE1 GLU A 306 8.064 9.423 -8.666 1.00 0.00 O ATOM 222 OE2 GLU A 306 5.868 9.281 -8.323 1.00 0.00 O ATOM 0 H GLU A 306 8.163 11.189 -4.222 1.00 0.00 H new ATOM 0 HA GLU A 306 7.496 8.445 -4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 306 9.340 10.119 -6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 306 8.792 8.500 -6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 306 6.381 9.683 -5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 306 7.271 11.080 -6.482 1.00 0.00 H new ATOM 229 N HIS A 307 10.595 9.206 -3.558 1.00 0.00 N ATOM 230 CA HIS A 307 11.833 8.673 -3.014 1.00 0.00 C ATOM 231 C HIS A 307 11.595 8.182 -1.585 1.00 0.00 C ATOM 232 O HIS A 307 11.984 7.068 -1.235 1.00 0.00 O ATOM 233 CB HIS A 307 12.956 9.708 -3.106 1.00 0.00 C ATOM 234 CG HIS A 307 14.301 9.123 -3.466 1.00 0.00 C ATOM 235 ND1 HIS A 307 14.585 8.611 -4.720 1.00 0.00 N ATOM 236 CD2 HIS A 307 15.436 8.975 -2.725 1.00 0.00 C ATOM 237 CE1 HIS A 307 15.836 8.176 -4.722 1.00 0.00 C ATOM 238 NE2 HIS A 307 16.362 8.403 -3.484 1.00 0.00 N ATOM 0 H HIS A 307 10.581 10.220 -3.672 1.00 0.00 H new ATOM 0 HA HIS A 307 12.157 7.817 -3.606 1.00 0.00 H new ATOM 0 HB2 HIS A 307 12.686 10.457 -3.850 1.00 0.00 H new ATOM 0 HB3 HIS A 307 13.040 10.224 -2.150 1.00 0.00 H new ATOM 0 HD2 HIS A 307 15.560 9.273 -1.694 1.00 0.00 H new ATOM 0 HE1 HIS A 307 16.349 7.722 -5.557 1.00 0.00 H new ATOM 0 HE2 HIS A 307 17.311 8.171 -3.190 1.00 0.00 H new ATOM 246 N ASN A 308 10.959 9.036 -0.797 1.00 0.00 N ATOM 247 CA ASN A 308 10.665 8.702 0.586 1.00 0.00 C ATOM 248 C ASN A 308 9.857 7.404 0.632 1.00 0.00 C ATOM 249 O ASN A 308 10.072 6.566 1.507 1.00 0.00 O ATOM 250 CB ASN A 308 9.834 9.800 1.253 1.00 0.00 C ATOM 251 CG ASN A 308 10.646 10.527 2.326 1.00 0.00 C ATOM 252 OD1 ASN A 308 10.957 9.990 3.377 1.00 0.00 O ATOM 253 ND2 ASN A 308 10.972 11.776 2.005 1.00 0.00 N ATOM 0 H ASN A 308 10.639 9.959 -1.090 1.00 0.00 H new ATOM 0 HA ASN A 308 11.612 8.594 1.115 1.00 0.00 H new ATOM 0 HB2 ASN A 308 9.497 10.514 0.501 1.00 0.00 H new ATOM 0 HB3 ASN A 308 8.941 9.364 1.701 1.00 0.00 H new ATOM 0 HD21 ASN A 308 11.514 12.345 2.655 1.00 0.00 H new ATOM 0 HD22 ASN A 308 10.680 12.165 1.108 1.00 0.00 H new ATOM 260 N LEU A 309 8.945 7.277 -0.320 1.00 0.00 N ATOM 261 CA LEU A 309 8.104 6.095 -0.398 1.00 0.00 C ATOM 262 C LEU A 309 8.981 4.867 -0.650 1.00 0.00 C ATOM 263 O LEU A 309 8.713 3.790 -0.119 1.00 0.00 O ATOM 264 CB LEU A 309 7.003 6.289 -1.443 1.00 0.00 C ATOM 265 CG LEU A 309 5.662 6.805 -0.917 1.00 0.00 C ATOM 266 CD1 LEU A 309 5.010 7.758 -1.921 1.00 0.00 C ATOM 267 CD2 LEU A 309 4.737 5.645 -0.544 1.00 0.00 C ATOM 0 H LEU A 309 8.770 7.973 -1.044 1.00 0.00 H new ATOM 0 HA LEU A 309 7.588 5.931 0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 309 7.366 6.985 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 309 6.832 5.336 -1.943 1.00 0.00 H new ATOM 0 HG LEU A 309 5.848 7.374 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 309 4.058 8.110 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 309 5.668 8.609 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 309 4.838 7.234 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 309 3.791 6.039 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 309 4.553 5.029 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 309 5.207 5.040 0.231 1.00 0.00 H new ATOM 279 N LEU A 310 10.010 5.070 -1.458 1.00 0.00 N ATOM 280 CA LEU A 310 10.928 3.992 -1.786 1.00 0.00 C ATOM 281 C LEU A 310 11.828 3.710 -0.581 1.00 0.00 C ATOM 282 O LEU A 310 12.172 2.560 -0.315 1.00 0.00 O ATOM 283 CB LEU A 310 11.699 4.316 -3.067 1.00 0.00 C ATOM 284 CG LEU A 310 10.944 4.095 -4.379 1.00 0.00 C ATOM 285 CD1 LEU A 310 11.810 4.476 -5.581 1.00 0.00 C ATOM 286 CD2 LEU A 310 10.426 2.659 -4.478 1.00 0.00 C ATOM 0 H LEU A 310 10.229 5.965 -1.896 1.00 0.00 H new ATOM 0 HA LEU A 310 10.379 3.074 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 310 12.014 5.358 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 310 12.605 3.710 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 310 10.075 4.752 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 310 11.249 4.309 -6.501 1.00 0.00 H new ATOM 0 HD12 LEU A 310 12.088 5.528 -5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 310 12.711 3.863 -5.589 1.00 0.00 H new ATOM 0 HD21 LEU A 310 9.893 2.529 -5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 310 11.266 1.966 -4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 310 9.749 2.458 -3.647 1.00 0.00 H new ATOM 298 N SER A 311 12.183 4.780 0.115 1.00 0.00 N ATOM 299 CA SER A 311 13.036 4.662 1.285 1.00 0.00 C ATOM 300 C SER A 311 12.257 4.027 2.439 1.00 0.00 C ATOM 301 O SER A 311 12.766 3.138 3.121 1.00 0.00 O ATOM 302 CB SER A 311 13.588 6.026 1.705 1.00 0.00 C ATOM 303 OG SER A 311 14.897 6.254 1.190 1.00 0.00 O ATOM 0 H SER A 311 11.895 5.733 -0.109 1.00 0.00 H new ATOM 0 HA SER A 311 13.880 4.022 1.029 1.00 0.00 H new ATOM 0 HB2 SER A 311 12.919 6.812 1.354 1.00 0.00 H new ATOM 0 HB3 SER A 311 13.611 6.089 2.793 1.00 0.00 H new ATOM 0 HG SER A 311 15.213 7.135 1.479 1.00 0.00 H new ATOM 309 N ALA A 312 11.036 4.507 2.622 1.00 0.00 N ATOM 310 CA ALA A 312 10.182 3.998 3.681 1.00 0.00 C ATOM 311 C ALA A 312 9.933 2.505 3.456 1.00 0.00 C ATOM 312 O ALA A 312 9.736 1.754 4.410 1.00 0.00 O ATOM 313 CB ALA A 312 8.884 4.805 3.723 1.00 0.00 C ATOM 0 H ALA A 312 10.618 5.244 2.054 1.00 0.00 H new ATOM 0 HA ALA A 312 10.666 4.109 4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 312 8.243 4.423 4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 312 9.113 5.853 3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 312 8.369 4.715 2.767 1.00 0.00 H new ATOM 319 N SER A 313 9.951 2.119 2.188 1.00 0.00 N ATOM 320 CA SER A 313 9.730 0.730 1.826 1.00 0.00 C ATOM 321 C SER A 313 10.823 -0.151 2.435 1.00 0.00 C ATOM 322 O SER A 313 10.535 -1.211 2.987 1.00 0.00 O ATOM 323 CB SER A 313 9.694 0.556 0.306 1.00 0.00 C ATOM 324 OG SER A 313 9.796 -0.813 -0.078 1.00 0.00 O ATOM 0 H SER A 313 10.115 2.744 1.399 1.00 0.00 H new ATOM 0 HA SER A 313 8.762 0.423 2.223 1.00 0.00 H new ATOM 0 HB2 SER A 313 8.766 0.974 -0.085 1.00 0.00 H new ATOM 0 HB3 SER A 313 10.512 1.120 -0.143 1.00 0.00 H new ATOM 0 HG SER A 313 9.768 -0.882 -1.055 1.00 0.00 H new ATOM 330 N LYS A 314 12.055 0.322 2.312 1.00 0.00 N ATOM 331 CA LYS A 314 13.193 -0.409 2.844 1.00 0.00 C ATOM 332 C LYS A 314 13.627 0.223 4.168 1.00 0.00 C ATOM 333 O LYS A 314 14.816 0.265 4.480 1.00 0.00 O ATOM 334 CB LYS A 314 14.313 -0.488 1.804 1.00 0.00 C ATOM 335 CG LYS A 314 13.840 -1.213 0.543 1.00 0.00 C ATOM 336 CD LYS A 314 15.024 -1.795 -0.232 1.00 0.00 C ATOM 337 CE LYS A 314 15.579 -0.778 -1.230 1.00 0.00 C ATOM 338 NZ LYS A 314 15.115 -1.090 -2.600 1.00 0.00 N ATOM 0 H LYS A 314 12.290 1.202 1.852 1.00 0.00 H new ATOM 0 HA LYS A 314 12.915 -1.441 3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 314 14.646 0.517 1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 314 15.171 -1.010 2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 314 13.151 -2.012 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 314 13.289 -0.521 -0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 314 15.808 -2.092 0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 314 14.710 -2.695 -0.761 1.00 0.00 H new ATOM 0 HE2 LYS A 314 15.259 0.226 -0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 314 16.669 -0.786 -1.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 314 15.501 -0.390 -3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 314 15.442 -2.040 -2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 314 14.076 -1.060 -2.630 1.00 0.00 H new ATOM 352 N LEU A 315 12.638 0.700 4.911 1.00 0.00 N ATOM 353 CA LEU A 315 12.903 1.328 6.194 1.00 0.00 C ATOM 354 C LEU A 315 11.799 0.946 7.182 1.00 0.00 C ATOM 355 O LEU A 315 12.049 0.233 8.152 1.00 0.00 O ATOM 356 CB LEU A 315 13.080 2.838 6.025 1.00 0.00 C ATOM 357 CG LEU A 315 14.459 3.303 5.550 1.00 0.00 C ATOM 358 CD1 LEU A 315 14.345 4.552 4.675 1.00 0.00 C ATOM 359 CD2 LEU A 315 15.403 3.517 6.735 1.00 0.00 C ATOM 0 H LEU A 315 11.653 0.664 4.649 1.00 0.00 H new ATOM 0 HA LEU A 315 13.843 0.964 6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 315 12.334 3.194 5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 315 12.866 3.318 6.980 1.00 0.00 H new ATOM 0 HG LEU A 315 14.891 2.516 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 315 15.339 4.861 4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 315 13.732 4.330 3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 315 13.883 5.356 5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 315 16.376 3.847 6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 315 14.988 4.276 7.399 1.00 0.00 H new ATOM 0 HD23 LEU A 315 15.519 2.581 7.281 1.00 0.00 H new ATOM 371 N TYR A 316 10.601 1.436 6.900 1.00 0.00 N ATOM 372 CA TYR A 316 9.457 1.155 7.751 1.00 0.00 C ATOM 373 C TYR A 316 8.788 -0.162 7.353 1.00 0.00 C ATOM 374 O TYR A 316 8.333 -0.313 6.220 1.00 0.00 O ATOM 375 CB TYR A 316 8.471 2.303 7.527 1.00 0.00 C ATOM 376 CG TYR A 316 8.881 3.615 8.198 1.00 0.00 C ATOM 377 CD1 TYR A 316 9.868 4.399 7.636 1.00 0.00 C ATOM 378 CD2 TYR A 316 8.263 4.015 9.365 1.00 0.00 C ATOM 379 CE1 TYR A 316 10.253 5.634 8.268 1.00 0.00 C ATOM 380 CE2 TYR A 316 8.648 5.250 9.997 1.00 0.00 C ATOM 381 CZ TYR A 316 9.625 5.999 9.418 1.00 0.00 C ATOM 382 OH TYR A 316 9.989 7.166 10.014 1.00 0.00 O ATOM 0 H TYR A 316 10.397 2.026 6.094 1.00 0.00 H new ATOM 0 HA TYR A 316 9.766 1.068 8.793 1.00 0.00 H new ATOM 0 HB2 TYR A 316 8.364 2.473 6.456 1.00 0.00 H new ATOM 0 HB3 TYR A 316 7.492 2.006 7.902 1.00 0.00 H new ATOM 0 HD1 TYR A 316 10.351 4.086 6.722 1.00 0.00 H new ATOM 0 HD2 TYR A 316 7.490 3.402 9.804 1.00 0.00 H new ATOM 0 HE1 TYR A 316 11.024 6.257 7.838 1.00 0.00 H new ATOM 0 HE2 TYR A 316 8.172 5.575 10.910 1.00 0.00 H new ATOM 0 HH TYR A 316 9.456 7.299 10.826 1.00 0.00 H new ATOM 392 N ASN A 317 8.750 -1.082 8.306 1.00 0.00 N ATOM 393 CA ASN A 317 8.143 -2.381 8.068 1.00 0.00 C ATOM 394 C ASN A 317 6.695 -2.188 7.615 1.00 0.00 C ATOM 395 O ASN A 317 6.223 -2.885 6.719 1.00 0.00 O ATOM 396 CB ASN A 317 8.131 -3.224 9.345 1.00 0.00 C ATOM 397 CG ASN A 317 9.153 -4.360 9.261 1.00 0.00 C ATOM 398 OD1 ASN A 317 9.794 -4.580 8.247 1.00 0.00 O ATOM 399 ND2 ASN A 317 9.269 -5.066 10.382 1.00 0.00 N ATOM 0 H ASN A 317 9.129 -0.954 9.244 1.00 0.00 H new ATOM 0 HA ASN A 317 8.728 -2.892 7.303 1.00 0.00 H new ATOM 0 HB2 ASN A 317 8.354 -2.592 10.205 1.00 0.00 H new ATOM 0 HB3 ASN A 317 7.135 -3.637 9.503 1.00 0.00 H new ATOM 0 HD21 ASN A 317 9.925 -5.845 10.428 1.00 0.00 H new ATOM 0 HD22 ASN A 317 8.702 -4.828 11.196 1.00 0.00 H new ATOM 406 N ASN A 318 6.030 -1.237 8.255 1.00 0.00 N ATOM 407 CA ASN A 318 4.645 -0.943 7.929 1.00 0.00 C ATOM 408 C ASN A 318 4.283 0.445 8.461 1.00 0.00 C ATOM 409 O ASN A 318 4.630 0.791 9.590 1.00 0.00 O ATOM 410 CB ASN A 318 3.700 -1.958 8.576 1.00 0.00 C ATOM 411 CG ASN A 318 4.330 -2.575 9.826 1.00 0.00 C ATOM 412 OD1 ASN A 318 4.537 -3.773 9.922 1.00 0.00 O ATOM 413 ND2 ASN A 318 4.622 -1.691 10.777 1.00 0.00 N ATOM 0 H ASN A 318 6.425 -0.660 8.998 1.00 0.00 H new ATOM 0 HA ASN A 318 4.537 -0.988 6.845 1.00 0.00 H new ATOM 0 HB2 ASN A 318 2.762 -1.470 8.840 1.00 0.00 H new ATOM 0 HB3 ASN A 318 3.459 -2.744 7.860 1.00 0.00 H new ATOM 0 HD21 ASN A 318 5.045 -2.003 11.651 1.00 0.00 H new ATOM 0 HD22 ASN A 318 4.422 -0.701 10.632 1.00 0.00 H new ATOM 420 N ILE A 319 3.592 1.203 7.623 1.00 0.00 N ATOM 421 CA ILE A 319 3.180 2.546 7.994 1.00 0.00 C ATOM 422 C ILE A 319 1.823 2.853 7.358 1.00 0.00 C ATOM 423 O ILE A 319 1.565 2.464 6.220 1.00 0.00 O ATOM 424 CB ILE A 319 4.270 3.559 7.637 1.00 0.00 C ATOM 425 CG1 ILE A 319 3.864 4.973 8.058 1.00 0.00 C ATOM 426 CG2 ILE A 319 4.623 3.483 6.150 1.00 0.00 C ATOM 427 CD1 ILE A 319 4.882 6.005 7.568 1.00 0.00 C ATOM 0 H ILE A 319 3.307 0.913 6.688 1.00 0.00 H new ATOM 0 HA ILE A 319 3.050 2.620 9.074 1.00 0.00 H new ATOM 0 HB ILE A 319 5.170 3.303 8.195 1.00 0.00 H new ATOM 0 HG12 ILE A 319 2.879 5.208 7.654 1.00 0.00 H new ATOM 0 HG13 ILE A 319 3.783 5.024 9.144 1.00 0.00 H new ATOM 0 HG21 ILE A 319 5.400 4.213 5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 319 4.985 2.482 5.913 1.00 0.00 H new ATOM 0 HG23 ILE A 319 3.736 3.699 5.554 1.00 0.00 H new ATOM 0 HD11 ILE A 319 4.569 7.001 7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 319 5.860 5.781 7.993 1.00 0.00 H new ATOM 0 HD13 ILE A 319 4.942 5.968 6.480 1.00 0.00 H new ATOM 439 N THR A 320 0.991 3.548 8.121 1.00 0.00 N ATOM 440 CA THR A 320 -0.333 3.911 7.646 1.00 0.00 C ATOM 441 C THR A 320 -0.267 5.190 6.809 1.00 0.00 C ATOM 442 O THR A 320 0.749 5.884 6.808 1.00 0.00 O ATOM 443 CB THR A 320 -1.256 4.027 8.861 1.00 0.00 C ATOM 444 OG1 THR A 320 -0.686 5.082 9.631 1.00 0.00 O ATOM 445 CG2 THR A 320 -1.169 2.807 9.780 1.00 0.00 C ATOM 0 H THR A 320 1.209 3.869 9.064 1.00 0.00 H new ATOM 0 HA THR A 320 -0.739 3.147 6.983 1.00 0.00 H new ATOM 0 HB THR A 320 -2.285 4.156 8.524 1.00 0.00 H new ATOM 0 HG1 THR A 320 -1.224 5.226 10.438 1.00 0.00 H new ATOM 0 HG21 THR A 320 -1.843 2.940 10.626 1.00 0.00 H new ATOM 0 HG22 THR A 320 -1.454 1.913 9.226 1.00 0.00 H new ATOM 0 HG23 THR A 320 -0.147 2.698 10.144 1.00 0.00 H new ATOM 453 N PHE A 321 -1.363 5.463 6.117 1.00 0.00 N ATOM 454 CA PHE A 321 -1.443 6.647 5.278 1.00 0.00 C ATOM 455 C PHE A 321 -1.291 7.921 6.111 1.00 0.00 C ATOM 456 O PHE A 321 -0.756 8.920 5.632 1.00 0.00 O ATOM 457 CB PHE A 321 -2.827 6.640 4.625 1.00 0.00 C ATOM 458 CG PHE A 321 -3.170 5.333 3.908 1.00 0.00 C ATOM 459 CD1 PHE A 321 -2.515 4.992 2.766 1.00 0.00 C ATOM 460 CD2 PHE A 321 -4.130 4.513 4.412 1.00 0.00 C ATOM 461 CE1 PHE A 321 -2.834 3.779 2.100 1.00 0.00 C ATOM 462 CE2 PHE A 321 -4.449 3.299 3.747 1.00 0.00 C ATOM 463 CZ PHE A 321 -3.794 2.958 2.605 1.00 0.00 C ATOM 0 H PHE A 321 -2.203 4.885 6.120 1.00 0.00 H new ATOM 0 HA PHE A 321 -0.644 6.633 4.537 1.00 0.00 H new ATOM 0 HB2 PHE A 321 -3.579 6.831 5.390 1.00 0.00 H new ATOM 0 HB3 PHE A 321 -2.884 7.461 3.910 1.00 0.00 H new ATOM 0 HD1 PHE A 321 -1.752 5.644 2.366 1.00 0.00 H new ATOM 0 HD2 PHE A 321 -4.650 4.785 5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 321 -2.315 3.508 1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 321 -5.211 2.647 4.148 1.00 0.00 H new ATOM 0 HZ PHE A 321 -4.036 2.035 2.099 1.00 0.00 H new ATOM 473 N GLU A 322 -1.771 7.845 7.343 1.00 0.00 N ATOM 474 CA GLU A 322 -1.695 8.980 8.248 1.00 0.00 C ATOM 475 C GLU A 322 -0.238 9.281 8.600 1.00 0.00 C ATOM 476 O GLU A 322 0.202 10.427 8.511 1.00 0.00 O ATOM 477 CB GLU A 322 -2.525 8.731 9.509 1.00 0.00 C ATOM 478 CG GLU A 322 -4.018 8.669 9.181 1.00 0.00 C ATOM 479 CD GLU A 322 -4.751 7.729 10.140 1.00 0.00 C ATOM 480 OE1 GLU A 322 -4.692 6.506 9.890 1.00 0.00 O ATOM 481 OE2 GLU A 322 -5.354 8.255 11.100 1.00 0.00 O ATOM 0 H GLU A 322 -2.214 7.015 7.736 1.00 0.00 H new ATOM 0 HA GLU A 322 -2.113 9.851 7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 322 -2.213 7.797 9.975 1.00 0.00 H new ATOM 0 HB3 GLU A 322 -2.341 9.525 10.232 1.00 0.00 H new ATOM 0 HG2 GLU A 322 -4.450 9.668 9.244 1.00 0.00 H new ATOM 0 HG3 GLU A 322 -4.155 8.327 8.155 1.00 0.00 H new ATOM 488 N GLU A 323 0.472 8.233 8.993 1.00 0.00 N ATOM 489 CA GLU A 323 1.871 8.372 9.359 1.00 0.00 C ATOM 490 C GLU A 323 2.724 8.621 8.114 1.00 0.00 C ATOM 491 O GLU A 323 3.580 9.504 8.110 1.00 0.00 O ATOM 492 CB GLU A 323 2.362 7.140 10.123 1.00 0.00 C ATOM 493 CG GLU A 323 1.704 7.050 11.501 1.00 0.00 C ATOM 494 CD GLU A 323 2.199 8.169 12.419 1.00 0.00 C ATOM 495 OE1 GLU A 323 3.409 8.153 12.732 1.00 0.00 O ATOM 496 OE2 GLU A 323 1.356 9.016 12.787 1.00 0.00 O ATOM 0 H GLU A 323 0.104 7.284 9.066 1.00 0.00 H new ATOM 0 HA GLU A 323 1.970 9.233 10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 323 2.139 6.240 9.550 1.00 0.00 H new ATOM 0 HB3 GLU A 323 3.445 7.186 10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 323 0.621 7.114 11.396 1.00 0.00 H new ATOM 0 HG3 GLU A 323 1.924 6.082 11.951 1.00 0.00 H new ATOM 503 N LEU A 324 2.460 7.827 7.086 1.00 0.00 N ATOM 504 CA LEU A 324 3.192 7.951 5.837 1.00 0.00 C ATOM 505 C LEU A 324 3.044 9.377 5.303 1.00 0.00 C ATOM 506 O LEU A 324 4.014 9.973 4.837 1.00 0.00 O ATOM 507 CB LEU A 324 2.747 6.874 4.846 1.00 0.00 C ATOM 508 CG LEU A 324 3.748 6.521 3.744 1.00 0.00 C ATOM 509 CD1 LEU A 324 3.323 5.252 3.004 1.00 0.00 C ATOM 510 CD2 LEU A 324 3.951 7.700 2.790 1.00 0.00 C ATOM 0 H LEU A 324 1.749 7.095 7.093 1.00 0.00 H new ATOM 0 HA LEU A 324 4.256 7.781 6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 324 2.517 5.967 5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 324 1.820 7.202 4.376 1.00 0.00 H new ATOM 0 HG LEU A 324 4.711 6.314 4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 324 4.051 5.023 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 324 3.270 4.421 3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 324 2.344 5.406 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 324 4.667 7.423 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 324 2.999 7.961 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 324 4.331 8.557 3.346 1.00 0.00 H new ATOM 522 N GLY A 325 1.822 9.883 5.389 1.00 0.00 N ATOM 523 CA GLY A 325 1.535 11.228 4.920 1.00 0.00 C ATOM 524 C GLY A 325 2.152 12.276 5.848 1.00 0.00 C ATOM 525 O GLY A 325 2.557 13.347 5.398 1.00 0.00 O ATOM 0 H GLY A 325 1.020 9.386 5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 325 1.926 11.356 3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 325 0.456 11.375 4.865 1.00 0.00 H new ATOM 529 N ALA A 326 2.206 11.930 7.126 1.00 0.00 N ATOM 530 CA ALA A 326 2.768 12.828 8.121 1.00 0.00 C ATOM 531 C ALA A 326 4.278 12.939 7.907 1.00 0.00 C ATOM 532 O ALA A 326 4.885 13.951 8.254 1.00 0.00 O ATOM 533 CB ALA A 326 2.413 12.324 9.521 1.00 0.00 C ATOM 0 H ALA A 326 1.870 11.041 7.495 1.00 0.00 H new ATOM 0 HA ALA A 326 2.347 13.828 8.017 1.00 0.00 H new ATOM 0 HB1 ALA A 326 2.834 12.997 10.268 1.00 0.00 H new ATOM 0 HB2 ALA A 326 1.329 12.292 9.632 1.00 0.00 H new ATOM 0 HB3 ALA A 326 2.822 11.324 9.662 1.00 0.00 H new ATOM 539 N LEU A 327 4.842 11.885 7.335 1.00 0.00 N ATOM 540 CA LEU A 327 6.270 11.851 7.071 1.00 0.00 C ATOM 541 C LEU A 327 6.581 12.732 5.859 1.00 0.00 C ATOM 542 O LEU A 327 7.585 13.442 5.844 1.00 0.00 O ATOM 543 CB LEU A 327 6.754 10.407 6.921 1.00 0.00 C ATOM 544 CG LEU A 327 7.839 10.169 5.869 1.00 0.00 C ATOM 545 CD1 LEU A 327 9.143 10.866 6.258 1.00 0.00 C ATOM 546 CD2 LEU A 327 8.041 8.673 5.619 1.00 0.00 C ATOM 0 H LEU A 327 4.335 11.048 7.047 1.00 0.00 H new ATOM 0 HA LEU A 327 6.823 12.262 7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 327 7.131 10.069 7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 327 5.896 9.781 6.677 1.00 0.00 H new ATOM 0 HG LEU A 327 7.506 10.611 4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 327 9.897 10.680 5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 327 8.970 11.939 6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 327 9.493 10.476 7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 327 8.817 8.531 4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 327 8.341 8.186 6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 327 7.108 8.234 5.264 1.00 0.00 H new ATOM 558 N LEU A 328 5.700 12.657 4.872 1.00 0.00 N ATOM 559 CA LEU A 328 5.867 13.439 3.659 1.00 0.00 C ATOM 560 C LEU A 328 5.122 14.767 3.806 1.00 0.00 C ATOM 561 O LEU A 328 5.064 15.558 2.866 1.00 0.00 O ATOM 562 CB LEU A 328 5.441 12.627 2.434 1.00 0.00 C ATOM 563 CG LEU A 328 5.612 11.110 2.543 1.00 0.00 C ATOM 564 CD1 LEU A 328 4.436 10.378 1.893 1.00 0.00 C ATOM 565 CD2 LEU A 328 6.955 10.667 1.961 1.00 0.00 C ATOM 0 H LEU A 328 4.868 12.067 4.888 1.00 0.00 H new ATOM 0 HA LEU A 328 6.919 13.679 3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 328 4.392 12.841 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 328 6.013 12.976 1.574 1.00 0.00 H new ATOM 0 HG LEU A 328 5.615 10.841 3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 328 4.582 9.302 1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 328 3.510 10.662 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 328 4.377 10.648 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 328 7.051 9.585 2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 328 7.007 10.950 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 328 7.765 11.150 2.507 1.00 0.00 H new ATOM 577 N GLU A 329 4.570 14.971 4.993 1.00 0.00 N ATOM 578 CA GLU A 329 3.831 16.189 5.276 1.00 0.00 C ATOM 579 C GLU A 329 2.570 16.257 4.412 1.00 0.00 C ATOM 580 O GLU A 329 1.898 17.287 4.368 1.00 0.00 O ATOM 581 CB GLU A 329 4.708 17.425 5.063 1.00 0.00 C ATOM 582 CG GLU A 329 5.576 17.700 6.293 1.00 0.00 C ATOM 583 CD GLU A 329 4.838 18.589 7.296 1.00 0.00 C ATOM 584 OE1 GLU A 329 4.658 19.783 6.971 1.00 0.00 O ATOM 585 OE2 GLU A 329 4.472 18.056 8.365 1.00 0.00 O ATOM 0 H GLU A 329 4.620 14.312 5.770 1.00 0.00 H new ATOM 0 HA GLU A 329 3.531 16.173 6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 329 5.344 17.278 4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 329 4.079 18.291 4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 329 5.849 16.758 6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 329 6.504 18.183 5.987 1.00 0.00 H new ATOM 592 N ILE A 330 2.286 15.147 3.747 1.00 0.00 N ATOM 593 CA ILE A 330 1.118 15.068 2.887 1.00 0.00 C ATOM 594 C ILE A 330 0.024 14.264 3.593 1.00 0.00 C ATOM 595 O ILE A 330 0.300 13.539 4.547 1.00 0.00 O ATOM 596 CB ILE A 330 1.500 14.512 1.513 1.00 0.00 C ATOM 597 CG1 ILE A 330 1.532 12.982 1.530 1.00 0.00 C ATOM 598 CG2 ILE A 330 2.823 15.108 1.030 1.00 0.00 C ATOM 599 CD1 ILE A 330 1.785 12.424 0.129 1.00 0.00 C ATOM 0 H ILE A 330 2.845 14.295 3.787 1.00 0.00 H new ATOM 0 HA ILE A 330 0.714 16.063 2.701 1.00 0.00 H new ATOM 0 HB ILE A 330 0.733 14.809 0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 330 2.313 12.638 2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 330 0.586 12.599 1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 330 3.072 14.697 0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 330 2.728 16.191 0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 330 3.613 14.861 1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 330 1.803 11.335 0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 330 0.990 12.749 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 330 2.743 12.789 -0.241 1.00 0.00 H new ATOM 611 N PRO A 331 -1.227 14.423 3.083 1.00 0.00 N ATOM 612 CA PRO A 331 -2.363 13.721 3.655 1.00 0.00 C ATOM 613 C PRO A 331 -2.351 12.244 3.256 1.00 0.00 C ATOM 614 O PRO A 331 -1.702 11.865 2.282 1.00 0.00 O ATOM 615 CB PRO A 331 -3.584 14.465 3.141 1.00 0.00 C ATOM 616 CG PRO A 331 -3.110 15.263 1.937 1.00 0.00 C ATOM 617 CD PRO A 331 -1.591 15.274 1.954 1.00 0.00 C ATOM 0 HA PRO A 331 -2.348 13.713 4.745 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -4.376 13.770 2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -3.993 15.122 3.909 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -3.478 14.816 1.014 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -3.500 16.280 1.976 1.00 0.00 H new ATOM 0 HD2 PRO A 331 -1.182 14.889 1.020 1.00 0.00 H new ATOM 0 HD3 PRO A 331 -1.204 16.285 2.079 1.00 0.00 H new ATOM 625 N ALA A 332 -3.077 11.449 4.029 1.00 0.00 N ATOM 626 CA ALA A 332 -3.159 10.022 3.768 1.00 0.00 C ATOM 627 C ALA A 332 -3.704 9.796 2.357 1.00 0.00 C ATOM 628 O ALA A 332 -3.228 8.921 1.636 1.00 0.00 O ATOM 629 CB ALA A 332 -4.023 9.356 4.841 1.00 0.00 C ATOM 0 H ALA A 332 -3.614 11.766 4.836 1.00 0.00 H new ATOM 0 HA ALA A 332 -2.170 9.566 3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 332 -4.085 8.285 4.646 1.00 0.00 H new ATOM 0 HB2 ALA A 332 -3.576 9.521 5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 332 -5.024 9.787 4.821 1.00 0.00 H new ATOM 635 N ALA A 333 -4.696 10.601 2.005 1.00 0.00 N ATOM 636 CA ALA A 333 -5.312 10.499 0.692 1.00 0.00 C ATOM 637 C ALA A 333 -4.244 10.705 -0.384 1.00 0.00 C ATOM 638 O ALA A 333 -4.298 10.082 -1.444 1.00 0.00 O ATOM 639 CB ALA A 333 -6.452 11.513 0.584 1.00 0.00 C ATOM 0 H ALA A 333 -5.088 11.326 2.605 1.00 0.00 H new ATOM 0 HA ALA A 333 -5.742 9.508 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 333 -6.914 11.437 -0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 333 -7.197 11.306 1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 333 -6.058 12.520 0.723 1.00 0.00 H new ATOM 645 N LYS A 334 -3.299 11.580 -0.075 1.00 0.00 N ATOM 646 CA LYS A 334 -2.221 11.876 -1.003 1.00 0.00 C ATOM 647 C LYS A 334 -1.223 10.715 -1.006 1.00 0.00 C ATOM 648 O LYS A 334 -0.827 10.234 -2.066 1.00 0.00 O ATOM 649 CB LYS A 334 -1.588 13.230 -0.676 1.00 0.00 C ATOM 650 CG LYS A 334 -0.834 13.789 -1.884 1.00 0.00 C ATOM 651 CD LYS A 334 -1.804 14.201 -2.993 1.00 0.00 C ATOM 652 CE LYS A 334 -1.469 15.596 -3.525 1.00 0.00 C ATOM 653 NZ LYS A 334 -2.390 15.968 -4.621 1.00 0.00 N ATOM 0 H LYS A 334 -3.257 12.094 0.805 1.00 0.00 H new ATOM 0 HA LYS A 334 -2.607 11.968 -2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -2.363 13.933 -0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -0.904 13.122 0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 334 -0.238 14.649 -1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 334 -0.140 13.039 -2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -1.760 13.477 -3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -2.825 14.189 -2.611 1.00 0.00 H new ATOM 0 HE2 LYS A 334 -1.540 16.326 -2.719 1.00 0.00 H new ATOM 0 HE3 LYS A 334 -0.440 15.617 -3.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 -2.148 16.917 -4.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -2.302 15.281 -5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 -3.368 15.968 -4.268 1.00 0.00 H new ATOM 667 N ALA A 335 -0.846 10.299 0.194 1.00 0.00 N ATOM 668 CA ALA A 335 0.097 9.204 0.344 1.00 0.00 C ATOM 669 C ALA A 335 -0.521 7.923 -0.221 1.00 0.00 C ATOM 670 O ALA A 335 0.192 7.053 -0.719 1.00 0.00 O ATOM 671 CB ALA A 335 0.487 9.063 1.817 1.00 0.00 C ATOM 0 H ALA A 335 -1.177 10.701 1.071 1.00 0.00 H new ATOM 0 HA ALA A 335 1.010 9.405 -0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 335 1.194 8.241 1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 335 0.948 9.989 2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 335 -0.404 8.858 2.411 1.00 0.00 H new ATOM 677 N GLU A 336 -1.840 7.848 -0.124 1.00 0.00 N ATOM 678 CA GLU A 336 -2.562 6.688 -0.620 1.00 0.00 C ATOM 679 C GLU A 336 -2.541 6.663 -2.149 1.00 0.00 C ATOM 680 O GLU A 336 -2.259 5.630 -2.753 1.00 0.00 O ATOM 681 CB GLU A 336 -3.997 6.669 -0.090 1.00 0.00 C ATOM 682 CG GLU A 336 -4.746 5.429 -0.583 1.00 0.00 C ATOM 683 CD GLU A 336 -6.251 5.696 -0.669 1.00 0.00 C ATOM 684 OE1 GLU A 336 -6.620 6.626 -1.417 1.00 0.00 O ATOM 685 OE2 GLU A 336 -6.997 4.963 0.016 1.00 0.00 O ATOM 0 H GLU A 336 -2.428 8.571 0.291 1.00 0.00 H new ATOM 0 HA GLU A 336 -2.063 5.790 -0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 336 -3.986 6.683 1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 336 -4.521 7.568 -0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 336 -4.368 5.137 -1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 336 -4.559 4.594 0.092 1.00 0.00 H new ATOM 692 N LYS A 337 -2.843 7.814 -2.732 1.00 0.00 N ATOM 693 CA LYS A 337 -2.863 7.937 -4.180 1.00 0.00 C ATOM 694 C LYS A 337 -1.447 7.733 -4.724 1.00 0.00 C ATOM 695 O LYS A 337 -1.252 7.009 -5.699 1.00 0.00 O ATOM 696 CB LYS A 337 -3.495 9.267 -4.596 1.00 0.00 C ATOM 697 CG LYS A 337 -5.008 9.249 -4.368 1.00 0.00 C ATOM 698 CD LYS A 337 -5.751 9.831 -5.573 1.00 0.00 C ATOM 699 CE LYS A 337 -7.171 10.251 -5.190 1.00 0.00 C ATOM 700 NZ LYS A 337 -8.131 9.856 -6.245 1.00 0.00 N ATOM 0 H LYS A 337 -3.076 8.670 -2.228 1.00 0.00 H new ATOM 0 HA LYS A 337 -3.490 7.161 -4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 337 -3.047 10.081 -4.026 1.00 0.00 H new ATOM 0 HB3 LYS A 337 -3.284 9.461 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 337 -5.341 8.226 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 337 -5.252 9.823 -3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 337 -5.205 10.691 -5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 337 -5.790 9.092 -6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 337 -7.451 9.788 -4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 337 -7.210 11.330 -5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 -9.090 10.149 -5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 -7.872 10.318 -7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 -8.106 8.824 -6.368 1.00 0.00 H new ATOM 714 N ILE A 338 -0.496 8.384 -4.070 1.00 0.00 N ATOM 715 CA ILE A 338 0.895 8.282 -4.476 1.00 0.00 C ATOM 716 C ILE A 338 1.386 6.852 -4.245 1.00 0.00 C ATOM 717 O ILE A 338 2.035 6.267 -5.111 1.00 0.00 O ATOM 718 CB ILE A 338 1.738 9.344 -3.767 1.00 0.00 C ATOM 719 CG1 ILE A 338 1.263 10.753 -4.129 1.00 0.00 C ATOM 720 CG2 ILE A 338 3.227 9.148 -4.062 1.00 0.00 C ATOM 721 CD1 ILE A 338 2.097 11.815 -3.409 1.00 0.00 C ATOM 0 H ILE A 338 -0.662 8.984 -3.262 1.00 0.00 H new ATOM 0 HA ILE A 338 0.997 8.486 -5.542 1.00 0.00 H new ATOM 0 HB ILE A 338 1.604 9.225 -2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 338 1.334 10.899 -5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 338 0.213 10.867 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 338 3.804 9.916 -3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 338 3.540 8.164 -3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 338 3.398 9.225 -5.136 1.00 0.00 H new ATOM 0 HD11 ILE A 338 1.739 12.807 -3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 338 2.004 11.681 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 338 3.143 11.714 -3.698 1.00 0.00 H new ATOM 733 N ALA A 339 1.059 6.330 -3.071 1.00 0.00 N ATOM 734 CA ALA A 339 1.459 4.980 -2.715 1.00 0.00 C ATOM 735 C ALA A 339 0.930 4.002 -3.767 1.00 0.00 C ATOM 736 O ALA A 339 1.660 3.124 -4.225 1.00 0.00 O ATOM 737 CB ALA A 339 0.954 4.652 -1.309 1.00 0.00 C ATOM 0 H ALA A 339 0.522 6.818 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 339 2.545 4.893 -2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 339 1.254 3.639 -1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 339 1.381 5.357 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 339 -0.133 4.726 -1.286 1.00 0.00 H new ATOM 743 N SER A 340 -0.333 4.187 -4.119 1.00 0.00 N ATOM 744 CA SER A 340 -0.968 3.333 -5.108 1.00 0.00 C ATOM 745 C SER A 340 -0.415 3.643 -6.500 1.00 0.00 C ATOM 746 O SER A 340 -0.188 2.735 -7.298 1.00 0.00 O ATOM 747 CB SER A 340 -2.488 3.504 -5.090 1.00 0.00 C ATOM 748 OG SER A 340 -3.167 2.252 -5.080 1.00 0.00 O ATOM 0 H SER A 340 -0.935 4.917 -3.737 1.00 0.00 H new ATOM 0 HA SER A 340 -0.744 2.296 -4.858 1.00 0.00 H new ATOM 0 HB2 SER A 340 -2.777 4.080 -4.211 1.00 0.00 H new ATOM 0 HB3 SER A 340 -2.798 4.078 -5.963 1.00 0.00 H new ATOM 0 HG SER A 340 -4.135 2.405 -5.067 1.00 0.00 H new ATOM 754 N GLN A 341 -0.214 4.929 -6.748 1.00 0.00 N ATOM 755 CA GLN A 341 0.309 5.370 -8.030 1.00 0.00 C ATOM 756 C GLN A 341 1.725 4.831 -8.241 1.00 0.00 C ATOM 757 O GLN A 341 2.083 4.431 -9.347 1.00 0.00 O ATOM 758 CB GLN A 341 0.281 6.896 -8.137 1.00 0.00 C ATOM 759 CG GLN A 341 1.416 7.404 -9.029 1.00 0.00 C ATOM 760 CD GLN A 341 1.240 8.890 -9.348 1.00 0.00 C ATOM 761 OE1 GLN A 341 0.139 9.412 -9.411 1.00 0.00 O ATOM 762 NE2 GLN A 341 2.383 9.540 -9.547 1.00 0.00 N ATOM 0 H GLN A 341 -0.404 5.679 -6.083 1.00 0.00 H new ATOM 0 HA GLN A 341 -0.330 4.971 -8.818 1.00 0.00 H new ATOM 0 HB2 GLN A 341 -0.678 7.218 -8.543 1.00 0.00 H new ATOM 0 HB3 GLN A 341 0.370 7.336 -7.144 1.00 0.00 H new ATOM 0 HG2 GLN A 341 2.373 7.246 -8.531 1.00 0.00 H new ATOM 0 HG3 GLN A 341 1.440 6.830 -9.955 1.00 0.00 H new ATOM 0 HE21 GLN A 341 3.271 9.043 -9.479 1.00 0.00 H new ATOM 0 HE22 GLN A 341 2.372 10.536 -9.767 1.00 0.00 H new ATOM 771 N MET A 342 2.493 4.838 -7.161 1.00 0.00 N ATOM 772 CA MET A 342 3.862 4.355 -7.213 1.00 0.00 C ATOM 773 C MET A 342 3.906 2.869 -7.576 1.00 0.00 C ATOM 774 O MET A 342 4.700 2.455 -8.419 1.00 0.00 O ATOM 775 CB MET A 342 4.531 4.569 -5.854 1.00 0.00 C ATOM 776 CG MET A 342 4.752 6.058 -5.580 1.00 0.00 C ATOM 777 SD MET A 342 6.360 6.556 -6.173 1.00 0.00 S ATOM 778 CE MET A 342 7.401 5.726 -4.984 1.00 0.00 C ATOM 0 H MET A 342 2.193 5.171 -6.245 1.00 0.00 H new ATOM 0 HA MET A 342 4.395 4.913 -7.982 1.00 0.00 H new ATOM 0 HB2 MET A 342 3.911 4.139 -5.068 1.00 0.00 H new ATOM 0 HB3 MET A 342 5.487 4.045 -5.829 1.00 0.00 H new ATOM 0 HG2 MET A 342 3.976 6.646 -6.071 1.00 0.00 H new ATOM 0 HG3 MET A 342 4.672 6.255 -4.511 1.00 0.00 H new ATOM 0 HE1 MET A 342 8.438 5.768 -5.317 1.00 0.00 H new ATOM 0 HE2 MET A 342 7.311 6.218 -4.015 1.00 0.00 H new ATOM 0 HE3 MET A 342 7.091 4.685 -4.893 1.00 0.00 H new ATOM 788 N ILE A 343 3.042 2.107 -6.921 1.00 0.00 N ATOM 789 CA ILE A 343 2.972 0.677 -7.164 1.00 0.00 C ATOM 790 C ILE A 343 2.430 0.429 -8.573 1.00 0.00 C ATOM 791 O ILE A 343 2.892 -0.473 -9.270 1.00 0.00 O ATOM 792 CB ILE A 343 2.163 -0.015 -6.064 1.00 0.00 C ATOM 793 CG1 ILE A 343 2.983 -0.143 -4.779 1.00 0.00 C ATOM 794 CG2 ILE A 343 1.631 -1.367 -6.542 1.00 0.00 C ATOM 795 CD1 ILE A 343 2.120 -0.661 -3.627 1.00 0.00 C ATOM 0 H ILE A 343 2.385 2.454 -6.222 1.00 0.00 H new ATOM 0 HA ILE A 343 3.967 0.235 -7.122 1.00 0.00 H new ATOM 0 HB ILE A 343 1.298 0.607 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 343 3.821 -0.821 -4.944 1.00 0.00 H new ATOM 0 HG13 ILE A 343 3.405 0.827 -4.515 1.00 0.00 H new ATOM 0 HG21 ILE A 343 1.060 -1.837 -5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 343 0.986 -1.219 -7.408 1.00 0.00 H new ATOM 0 HG23 ILE A 343 2.467 -2.010 -6.817 1.00 0.00 H new ATOM 0 HD11 ILE A 343 2.727 -0.743 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 343 1.297 0.032 -3.449 1.00 0.00 H new ATOM 0 HD13 ILE A 343 1.720 -1.641 -3.885 1.00 0.00 H new ATOM 807 N THR A 344 1.457 1.245 -8.951 1.00 0.00 N ATOM 808 CA THR A 344 0.848 1.126 -10.264 1.00 0.00 C ATOM 809 C THR A 344 1.849 1.515 -11.354 1.00 0.00 C ATOM 810 O THR A 344 1.752 1.046 -12.487 1.00 0.00 O ATOM 811 CB THR A 344 -0.423 1.978 -10.275 1.00 0.00 C ATOM 812 OG1 THR A 344 -1.366 1.203 -9.539 1.00 0.00 O ATOM 813 CG2 THR A 344 -1.042 2.090 -11.670 1.00 0.00 C ATOM 0 H THR A 344 1.075 1.992 -8.370 1.00 0.00 H new ATOM 0 HA THR A 344 0.567 0.095 -10.477 1.00 0.00 H new ATOM 0 HB THR A 344 -0.194 2.975 -9.898 1.00 0.00 H new ATOM 0 HG1 THR A 344 -1.304 1.430 -8.588 1.00 0.00 H new ATOM 0 HG21 THR A 344 -1.941 2.705 -11.621 1.00 0.00 H new ATOM 0 HG22 THR A 344 -0.325 2.549 -12.350 1.00 0.00 H new ATOM 0 HG23 THR A 344 -1.302 1.096 -12.034 1.00 0.00 H new ATOM 821 N GLU A 345 2.787 2.370 -10.973 1.00 0.00 N ATOM 822 CA GLU A 345 3.805 2.827 -11.903 1.00 0.00 C ATOM 823 C GLU A 345 4.994 1.865 -11.905 1.00 0.00 C ATOM 824 O GLU A 345 5.887 1.977 -12.743 1.00 0.00 O ATOM 825 CB GLU A 345 4.252 4.252 -11.570 1.00 0.00 C ATOM 826 CG GLU A 345 3.263 5.281 -12.120 1.00 0.00 C ATOM 827 CD GLU A 345 3.861 6.689 -12.087 1.00 0.00 C ATOM 828 OE1 GLU A 345 4.998 6.834 -12.587 1.00 0.00 O ATOM 829 OE2 GLU A 345 3.168 7.588 -11.564 1.00 0.00 O ATOM 0 H GLU A 345 2.863 2.758 -10.033 1.00 0.00 H new ATOM 0 HA GLU A 345 3.374 2.841 -12.904 1.00 0.00 H new ATOM 0 HB2 GLU A 345 4.338 4.367 -10.489 1.00 0.00 H new ATOM 0 HB3 GLU A 345 5.242 4.434 -11.989 1.00 0.00 H new ATOM 0 HG2 GLU A 345 2.993 5.021 -13.144 1.00 0.00 H new ATOM 0 HG3 GLU A 345 2.345 5.258 -11.533 1.00 0.00 H new ATOM 836 N GLY A 346 4.968 0.940 -10.956 1.00 0.00 N ATOM 837 CA GLY A 346 6.032 -0.041 -10.837 1.00 0.00 C ATOM 838 C GLY A 346 7.147 0.468 -9.921 1.00 0.00 C ATOM 839 O GLY A 346 7.829 -0.322 -9.269 1.00 0.00 O ATOM 0 H GLY A 346 4.226 0.850 -10.262 1.00 0.00 H new ATOM 0 HA2 GLY A 346 5.629 -0.974 -10.442 1.00 0.00 H new ATOM 0 HA3 GLY A 346 6.439 -0.262 -11.823 1.00 0.00 H new ATOM 843 N ARG A 347 7.298 1.784 -9.900 1.00 0.00 N ATOM 844 CA ARG A 347 8.318 2.408 -9.075 1.00 0.00 C ATOM 845 C ARG A 347 8.421 1.691 -7.727 1.00 0.00 C ATOM 846 O ARG A 347 9.511 1.554 -7.174 1.00 0.00 O ATOM 847 CB ARG A 347 8.006 3.886 -8.836 1.00 0.00 C ATOM 848 CG ARG A 347 8.260 4.711 -10.100 1.00 0.00 C ATOM 849 CD ARG A 347 7.849 6.170 -9.894 1.00 0.00 C ATOM 850 NE ARG A 347 7.517 6.791 -11.197 1.00 0.00 N ATOM 851 CZ ARG A 347 8.423 7.328 -12.025 1.00 0.00 C ATOM 852 NH1 ARG A 347 9.721 7.323 -11.692 1.00 0.00 N ATOM 853 NH2 ARG A 347 8.031 7.869 -13.187 1.00 0.00 N ATOM 0 H ARG A 347 6.730 2.436 -10.442 1.00 0.00 H new ATOM 0 HA ARG A 347 9.267 2.331 -9.606 1.00 0.00 H new ATOM 0 HB2 ARG A 347 6.966 3.997 -8.528 1.00 0.00 H new ATOM 0 HB3 ARG A 347 8.622 4.264 -8.020 1.00 0.00 H new ATOM 0 HG2 ARG A 347 9.316 4.661 -10.365 1.00 0.00 H new ATOM 0 HG3 ARG A 347 7.701 4.286 -10.934 1.00 0.00 H new ATOM 0 HD2 ARG A 347 6.989 6.223 -9.227 1.00 0.00 H new ATOM 0 HD3 ARG A 347 8.659 6.721 -9.415 1.00 0.00 H new ATOM 0 HE ARG A 347 6.538 6.811 -11.482 1.00 0.00 H new ATOM 0 HH11 ARG A 347 10.019 6.910 -10.808 1.00 0.00 H new ATOM 0 HH12 ARG A 347 10.411 7.732 -12.322 1.00 0.00 H new ATOM 0 HH21 ARG A 347 7.043 7.872 -13.441 1.00 0.00 H new ATOM 0 HH22 ARG A 347 8.721 8.278 -13.818 1.00 0.00 H new ATOM 867 N MET A 348 7.271 1.254 -7.236 1.00 0.00 N ATOM 868 CA MET A 348 7.218 0.555 -5.963 1.00 0.00 C ATOM 869 C MET A 348 6.708 -0.876 -6.144 1.00 0.00 C ATOM 870 O MET A 348 6.079 -1.192 -7.153 1.00 0.00 O ATOM 871 CB MET A 348 6.294 1.309 -5.005 1.00 0.00 C ATOM 872 CG MET A 348 6.638 0.992 -3.548 1.00 0.00 C ATOM 873 SD MET A 348 5.923 2.223 -2.470 1.00 0.00 S ATOM 874 CE MET A 348 4.236 1.644 -2.414 1.00 0.00 C ATOM 0 H MET A 348 6.368 1.370 -7.697 1.00 0.00 H new ATOM 0 HA MET A 348 8.226 0.512 -5.551 1.00 0.00 H new ATOM 0 HB2 MET A 348 6.382 2.382 -5.178 1.00 0.00 H new ATOM 0 HB3 MET A 348 5.257 1.038 -5.205 1.00 0.00 H new ATOM 0 HG2 MET A 348 6.263 0.003 -3.284 1.00 0.00 H new ATOM 0 HG3 MET A 348 7.720 0.967 -3.418 1.00 0.00 H new ATOM 0 HE1 MET A 348 3.776 1.955 -1.476 1.00 0.00 H new ATOM 0 HE2 MET A 348 3.678 2.067 -3.250 1.00 0.00 H new ATOM 0 HE3 MET A 348 4.222 0.556 -2.482 1.00 0.00 H new ATOM 884 N ASN A 349 6.997 -1.703 -5.151 1.00 0.00 N ATOM 885 CA ASN A 349 6.576 -3.094 -5.187 1.00 0.00 C ATOM 886 C ASN A 349 5.787 -3.417 -3.917 1.00 0.00 C ATOM 887 O ASN A 349 6.221 -3.091 -2.813 1.00 0.00 O ATOM 888 CB ASN A 349 7.782 -4.033 -5.247 1.00 0.00 C ATOM 889 CG ASN A 349 7.605 -5.084 -6.345 1.00 0.00 C ATOM 890 OD1 ASN A 349 6.764 -5.963 -6.269 1.00 0.00 O ATOM 891 ND2 ASN A 349 8.443 -4.943 -7.368 1.00 0.00 N ATOM 0 H ASN A 349 7.518 -1.437 -4.315 1.00 0.00 H new ATOM 0 HA ASN A 349 5.963 -3.238 -6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 349 8.688 -3.456 -5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 349 7.911 -4.527 -4.284 1.00 0.00 H new ATOM 0 HD21 ASN A 349 8.405 -5.594 -8.152 1.00 0.00 H new ATOM 0 HD22 ASN A 349 9.124 -4.184 -7.368 1.00 0.00 H new ATOM 898 N GLY A 350 4.642 -4.053 -4.115 1.00 0.00 N ATOM 899 CA GLY A 350 3.789 -4.423 -2.999 1.00 0.00 C ATOM 900 C GLY A 350 2.328 -4.067 -3.284 1.00 0.00 C ATOM 901 O GLY A 350 1.959 -3.814 -4.430 1.00 0.00 O ATOM 0 H GLY A 350 4.285 -4.322 -5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 350 3.876 -5.493 -2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 350 4.122 -3.911 -2.096 1.00 0.00 H new ATOM 905 N PHE A 351 1.536 -4.059 -2.222 1.00 0.00 N ATOM 906 CA PHE A 351 0.124 -3.738 -2.343 1.00 0.00 C ATOM 907 C PHE A 351 -0.367 -2.958 -1.122 1.00 0.00 C ATOM 908 O PHE A 351 0.264 -2.986 -0.067 1.00 0.00 O ATOM 909 CB PHE A 351 -0.631 -5.066 -2.423 1.00 0.00 C ATOM 910 CG PHE A 351 -0.769 -5.785 -1.079 1.00 0.00 C ATOM 911 CD1 PHE A 351 -1.794 -5.470 -0.241 1.00 0.00 C ATOM 912 CD2 PHE A 351 0.132 -6.738 -0.722 1.00 0.00 C ATOM 913 CE1 PHE A 351 -1.922 -6.137 1.006 1.00 0.00 C ATOM 914 CE2 PHE A 351 0.004 -7.405 0.525 1.00 0.00 C ATOM 915 CZ PHE A 351 -1.020 -7.090 1.363 1.00 0.00 C ATOM 0 H PHE A 351 1.845 -4.270 -1.273 1.00 0.00 H new ATOM 0 HA PHE A 351 -0.043 -3.121 -3.226 1.00 0.00 H new ATOM 0 HB2 PHE A 351 -1.626 -4.883 -2.829 1.00 0.00 H new ATOM 0 HB3 PHE A 351 -0.116 -5.723 -3.124 1.00 0.00 H new ATOM 0 HD1 PHE A 351 -2.510 -4.713 -0.524 1.00 0.00 H new ATOM 0 HD2 PHE A 351 0.945 -6.988 -1.387 1.00 0.00 H new ATOM 0 HE1 PHE A 351 -2.736 -5.887 1.671 1.00 0.00 H new ATOM 0 HE2 PHE A 351 0.720 -8.163 0.808 1.00 0.00 H new ATOM 0 HZ PHE A 351 -1.117 -7.597 2.312 1.00 0.00 H new ATOM 925 N ILE A 352 -1.490 -2.278 -1.307 1.00 0.00 N ATOM 926 CA ILE A 352 -2.073 -1.491 -0.234 1.00 0.00 C ATOM 927 C ILE A 352 -3.281 -2.235 0.340 1.00 0.00 C ATOM 928 O ILE A 352 -4.195 -2.603 -0.396 1.00 0.00 O ATOM 929 CB ILE A 352 -2.397 -0.078 -0.722 1.00 0.00 C ATOM 930 CG1 ILE A 352 -1.118 0.696 -1.050 1.00 0.00 C ATOM 931 CG2 ILE A 352 -3.272 0.665 0.291 1.00 0.00 C ATOM 932 CD1 ILE A 352 -1.413 2.184 -1.250 1.00 0.00 C ATOM 0 H ILE A 352 -2.011 -2.256 -2.184 1.00 0.00 H new ATOM 0 HA ILE A 352 -1.358 -1.367 0.579 1.00 0.00 H new ATOM 0 HB ILE A 352 -2.970 -0.159 -1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 352 -0.396 0.570 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 352 -0.663 0.287 -1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 352 -3.488 1.667 -0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 352 -4.206 0.122 0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 352 -2.746 0.736 1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 352 -0.487 2.711 -1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 352 -2.117 2.308 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 352 -1.845 2.595 -0.338 1.00 0.00 H new ATOM 944 N ASP A 353 -3.245 -2.435 1.649 1.00 0.00 N ATOM 945 CA ASP A 353 -4.325 -3.129 2.330 1.00 0.00 C ATOM 946 C ASP A 353 -5.420 -2.125 2.695 1.00 0.00 C ATOM 947 O ASP A 353 -5.228 -1.283 3.571 1.00 0.00 O ATOM 948 CB ASP A 353 -3.831 -3.781 3.623 1.00 0.00 C ATOM 949 CG ASP A 353 -4.884 -4.592 4.381 1.00 0.00 C ATOM 950 OD1 ASP A 353 -6.016 -4.681 3.859 1.00 0.00 O ATOM 951 OD2 ASP A 353 -4.534 -5.103 5.467 1.00 0.00 O ATOM 0 H ASP A 353 -2.485 -2.129 2.256 1.00 0.00 H new ATOM 0 HA ASP A 353 -4.706 -3.900 1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 353 -2.992 -4.435 3.385 1.00 0.00 H new ATOM 0 HB3 ASP A 353 -3.450 -3.002 4.283 1.00 0.00 H new ATOM 956 N GLN A 354 -6.544 -2.247 2.005 1.00 0.00 N ATOM 957 CA GLN A 354 -7.670 -1.361 2.246 1.00 0.00 C ATOM 958 C GLN A 354 -8.572 -1.934 3.340 1.00 0.00 C ATOM 959 O GLN A 354 -9.416 -1.226 3.889 1.00 0.00 O ATOM 960 CB GLN A 354 -8.459 -1.114 0.958 1.00 0.00 C ATOM 961 CG GLN A 354 -7.723 -0.132 0.044 1.00 0.00 C ATOM 962 CD GLN A 354 -8.671 0.954 -0.470 1.00 0.00 C ATOM 963 OE1 GLN A 354 -9.695 1.252 0.123 1.00 0.00 O ATOM 964 NE2 GLN A 354 -8.273 1.527 -1.602 1.00 0.00 N ATOM 0 H GLN A 354 -6.699 -2.946 1.279 1.00 0.00 H new ATOM 0 HA GLN A 354 -7.284 -0.400 2.587 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -8.613 -2.058 0.435 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -9.446 -0.720 1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 354 -6.898 0.328 0.588 1.00 0.00 H new ATOM 0 HG3 GLN A 354 -7.289 -0.670 -0.799 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -7.404 1.229 -2.046 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -8.836 2.264 -2.026 1.00 0.00 H new ATOM 973 N ILE A 355 -8.365 -3.211 3.626 1.00 0.00 N ATOM 974 CA ILE A 355 -9.149 -3.887 4.645 1.00 0.00 C ATOM 975 C ILE A 355 -8.780 -3.328 6.020 1.00 0.00 C ATOM 976 O ILE A 355 -9.651 -3.126 6.866 1.00 0.00 O ATOM 977 CB ILE A 355 -8.980 -5.404 4.532 1.00 0.00 C ATOM 978 CG1 ILE A 355 -9.306 -5.888 3.118 1.00 0.00 C ATOM 979 CG2 ILE A 355 -9.812 -6.128 5.592 1.00 0.00 C ATOM 980 CD1 ILE A 355 -8.458 -7.106 2.746 1.00 0.00 C ATOM 0 H ILE A 355 -7.665 -3.796 3.169 1.00 0.00 H new ATOM 0 HA ILE A 355 -10.212 -3.696 4.498 1.00 0.00 H new ATOM 0 HB ILE A 355 -7.935 -5.647 4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 355 -10.364 -6.143 3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 355 -9.127 -5.084 2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 355 -9.674 -7.204 5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 355 -9.490 -5.813 6.585 1.00 0.00 H new ATOM 0 HG23 ILE A 355 -10.866 -5.883 5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 355 -8.710 -7.430 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 355 -7.402 -6.841 2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 355 -8.658 -7.916 3.447 1.00 0.00 H new ATOM 992 N ASP A 356 -7.489 -3.093 6.202 1.00 0.00 N ATOM 993 CA ASP A 356 -6.995 -2.561 7.460 1.00 0.00 C ATOM 994 C ASP A 356 -6.576 -1.103 7.263 1.00 0.00 C ATOM 995 O ASP A 356 -6.379 -0.373 8.234 1.00 0.00 O ATOM 996 CB ASP A 356 -5.773 -3.342 7.947 1.00 0.00 C ATOM 997 CG ASP A 356 -6.086 -4.534 8.854 1.00 0.00 C ATOM 998 OD1 ASP A 356 -6.783 -4.309 9.867 1.00 0.00 O ATOM 999 OD2 ASP A 356 -5.622 -5.644 8.513 1.00 0.00 O ATOM 0 H ASP A 356 -6.770 -3.261 5.499 1.00 0.00 H new ATOM 0 HA ASP A 356 -7.793 -2.644 8.197 1.00 0.00 H new ATOM 0 HB2 ASP A 356 -5.220 -3.701 7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 356 -5.115 -2.659 8.484 1.00 0.00 H new ATOM 1004 N GLY A 357 -6.452 -0.722 6.000 1.00 0.00 N ATOM 1005 CA GLY A 357 -6.060 0.636 5.663 1.00 0.00 C ATOM 1006 C GLY A 357 -4.571 0.860 5.934 1.00 0.00 C ATOM 1007 O GLY A 357 -4.156 1.971 6.262 1.00 0.00 O ATOM 0 H GLY A 357 -6.616 -1.330 5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 357 -6.275 0.830 4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 357 -6.650 1.344 6.245 1.00 0.00 H new ATOM 1011 N ILE A 358 -3.807 -0.212 5.785 1.00 0.00 N ATOM 1012 CA ILE A 358 -2.373 -0.147 6.009 1.00 0.00 C ATOM 1013 C ILE A 358 -1.644 -0.366 4.682 1.00 0.00 C ATOM 1014 O ILE A 358 -2.136 -1.081 3.810 1.00 0.00 O ATOM 1015 CB ILE A 358 -1.958 -1.126 7.109 1.00 0.00 C ATOM 1016 CG1 ILE A 358 -2.682 -0.818 8.421 1.00 0.00 C ATOM 1017 CG2 ILE A 358 -0.438 -1.142 7.283 1.00 0.00 C ATOM 1018 CD1 ILE A 358 -2.467 -1.936 9.442 1.00 0.00 C ATOM 0 H ILE A 358 -4.154 -1.131 5.512 1.00 0.00 H new ATOM 0 HA ILE A 358 -2.087 0.841 6.370 1.00 0.00 H new ATOM 0 HB ILE A 358 -2.258 -2.129 6.804 1.00 0.00 H new ATOM 0 HG12 ILE A 358 -2.319 0.126 8.828 1.00 0.00 H new ATOM 0 HG13 ILE A 358 -3.748 -0.694 8.232 1.00 0.00 H new ATOM 0 HG21 ILE A 358 -0.169 -1.846 8.071 1.00 0.00 H new ATOM 0 HG22 ILE A 358 0.032 -1.447 6.348 1.00 0.00 H new ATOM 0 HG23 ILE A 358 -0.092 -0.145 7.554 1.00 0.00 H new ATOM 0 HD11 ILE A 358 -2.992 -1.692 10.365 1.00 0.00 H new ATOM 0 HD12 ILE A 358 -2.853 -2.873 9.042 1.00 0.00 H new ATOM 0 HD13 ILE A 358 -1.402 -2.041 9.648 1.00 0.00 H new ATOM 1030 N VAL A 359 -0.482 0.262 4.571 1.00 0.00 N ATOM 1031 CA VAL A 359 0.320 0.144 3.366 1.00 0.00 C ATOM 1032 C VAL A 359 1.318 -1.004 3.532 1.00 0.00 C ATOM 1033 O VAL A 359 2.196 -0.948 4.392 1.00 0.00 O ATOM 1034 CB VAL A 359 0.993 1.482 3.053 1.00 0.00 C ATOM 1035 CG1 VAL A 359 2.072 1.315 1.980 1.00 0.00 C ATOM 1036 CG2 VAL A 359 -0.039 2.531 2.635 1.00 0.00 C ATOM 0 H VAL A 359 -0.077 0.854 5.296 1.00 0.00 H new ATOM 0 HA VAL A 359 -0.310 -0.096 2.510 1.00 0.00 H new ATOM 0 HB VAL A 359 1.478 1.834 3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 359 2.535 2.281 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 359 2.831 0.616 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 359 1.620 0.929 1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 359 0.466 3.472 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 359 -0.566 2.188 1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 359 -0.754 2.681 3.444 1.00 0.00 H new ATOM 1046 N HIS A 360 1.151 -2.017 2.696 1.00 0.00 N ATOM 1047 CA HIS A 360 2.026 -3.176 2.740 1.00 0.00 C ATOM 1048 C HIS A 360 3.295 -2.892 1.933 1.00 0.00 C ATOM 1049 O HIS A 360 3.245 -2.781 0.709 1.00 0.00 O ATOM 1050 CB HIS A 360 1.291 -4.431 2.265 1.00 0.00 C ATOM 1051 CG HIS A 360 1.007 -5.429 3.362 1.00 0.00 C ATOM 1052 ND1 HIS A 360 1.650 -6.651 3.450 1.00 0.00 N ATOM 1053 CD2 HIS A 360 0.143 -5.372 4.417 1.00 0.00 C ATOM 1054 CE1 HIS A 360 1.187 -7.293 4.512 1.00 0.00 C ATOM 1055 NE2 HIS A 360 0.252 -6.499 5.109 1.00 0.00 N ATOM 0 H HIS A 360 0.422 -2.060 1.984 1.00 0.00 H new ATOM 0 HA HIS A 360 2.327 -3.369 3.770 1.00 0.00 H new ATOM 0 HB2 HIS A 360 0.349 -4.135 1.804 1.00 0.00 H new ATOM 0 HB3 HIS A 360 1.885 -4.917 1.491 1.00 0.00 H new ATOM 0 HD2 HIS A 360 -0.517 -4.549 4.649 1.00 0.00 H new ATOM 0 HE1 HIS A 360 1.495 -8.273 4.846 1.00 0.00 H new ATOM 0 HE2 HIS A 360 -0.277 -6.733 5.949 1.00 0.00 H new ATOM 1063 N PHE A 361 4.402 -2.781 2.652 1.00 0.00 N ATOM 1064 CA PHE A 361 5.682 -2.512 2.019 1.00 0.00 C ATOM 1065 C PHE A 361 6.499 -3.797 1.865 1.00 0.00 C ATOM 1066 O PHE A 361 6.342 -4.733 2.647 1.00 0.00 O ATOM 1067 CB PHE A 361 6.439 -1.546 2.933 1.00 0.00 C ATOM 1068 CG PHE A 361 6.248 -0.071 2.574 1.00 0.00 C ATOM 1069 CD1 PHE A 361 6.589 0.376 1.336 1.00 0.00 C ATOM 1070 CD2 PHE A 361 5.739 0.792 3.493 1.00 0.00 C ATOM 1071 CE1 PHE A 361 6.413 1.745 1.002 1.00 0.00 C ATOM 1072 CE2 PHE A 361 5.562 2.161 3.160 1.00 0.00 C ATOM 1073 CZ PHE A 361 5.903 2.609 1.921 1.00 0.00 C ATOM 0 H PHE A 361 4.439 -2.872 3.667 1.00 0.00 H new ATOM 0 HA PHE A 361 5.525 -2.093 1.025 1.00 0.00 H new ATOM 0 HB2 PHE A 361 6.113 -1.704 3.961 1.00 0.00 H new ATOM 0 HB3 PHE A 361 7.502 -1.784 2.895 1.00 0.00 H new ATOM 0 HD1 PHE A 361 6.994 -0.310 0.607 1.00 0.00 H new ATOM 0 HD2 PHE A 361 5.469 0.436 4.476 1.00 0.00 H new ATOM 0 HE1 PHE A 361 6.684 2.100 0.019 1.00 0.00 H new ATOM 0 HE2 PHE A 361 5.157 2.846 3.890 1.00 0.00 H new ATOM 0 HZ PHE A 361 5.769 3.650 1.667 1.00 0.00 H new ATOM 1083 N GLU A 362 7.353 -3.799 0.853 1.00 0.00 N ATOM 1084 CA GLU A 362 8.195 -4.953 0.587 1.00 0.00 C ATOM 1085 C GLU A 362 9.434 -4.924 1.484 1.00 0.00 C ATOM 1086 O GLU A 362 10.039 -3.871 1.679 1.00 0.00 O ATOM 1087 CB GLU A 362 8.589 -5.015 -0.890 1.00 0.00 C ATOM 1088 CG GLU A 362 9.632 -3.947 -1.225 1.00 0.00 C ATOM 1089 CD GLU A 362 10.218 -4.171 -2.621 1.00 0.00 C ATOM 1090 OE1 GLU A 362 10.333 -5.354 -3.005 1.00 0.00 O ATOM 1091 OE2 GLU A 362 10.536 -3.153 -3.272 1.00 0.00 O ATOM 0 H GLU A 362 7.480 -3.020 0.207 1.00 0.00 H new ATOM 0 HA GLU A 362 7.626 -5.854 0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 362 8.987 -6.003 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 362 7.705 -4.873 -1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 362 9.175 -2.959 -1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 362 10.431 -3.969 -0.484 1.00 0.00 H new