USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=9 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 Set 1.1: A 311 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 314 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 307 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 308 ASN : amide:sc= -1.75! K(o=-1.7!,f=-1.2) USER MOD Single : A 313 SER OG : rot -132:sc= -0.342 USER MOD Single : A 316 TYR OH : rot 180:sc= 0 USER MOD Single : A 317 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.095) USER MOD Single : A 318 ASN : amide:sc= 0.663 K(o=0.66,f=-0.096) USER MOD Single : A 320 THR OG1 : rot 50:sc= 0.121 USER MOD Single : A 334 LYS NZ :NH3+ -151:sc= -0.0237 (180deg=-1.7) 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 K(o=0,f=-2.3!) USER MOD Single : A 342 MET CE :methyl -153:sc= -1.48 (180deg=-3.68!) USER MOD Single : A 344 THR OG1 : rot 86:sc= 0.144 USER MOD Single : A 348 MET CE :methyl 158:sc= -3.52 (180deg=-4.6!) USER MOD Single : A 349 ASN : amide:sc= -0.338 K(o=-0.34,f=-2.7!) USER MOD Single : A 354 GLN : amide:sc= -0.478 K(o=-0.48,f=-3.1!) USER MOD Single : A 360 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD ----------------------------------------------------------------- ATOM 145 N ARG A 302 8.940 15.617 -6.276 1.00 0.00 N ATOM 146 CA ARG A 302 8.247 14.343 -6.367 1.00 0.00 C ATOM 147 C ARG A 302 9.243 13.187 -6.246 1.00 0.00 C ATOM 148 O ARG A 302 8.895 12.112 -5.760 1.00 0.00 O ATOM 149 CB ARG A 302 7.492 14.220 -7.692 1.00 0.00 C ATOM 150 CG ARG A 302 6.263 13.322 -7.541 1.00 0.00 C ATOM 151 CD ARG A 302 5.154 14.035 -6.765 1.00 0.00 C ATOM 152 NE ARG A 302 4.091 14.479 -7.694 1.00 0.00 N ATOM 153 CZ ARG A 302 3.243 15.485 -7.440 1.00 0.00 C ATOM 154 NH1 ARG A 302 3.329 16.158 -6.285 1.00 0.00 N ATOM 155 NH2 ARG A 302 2.309 15.818 -8.341 1.00 0.00 N ATOM 0 HA ARG A 302 7.530 14.296 -5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 302 7.185 15.209 -8.033 1.00 0.00 H new ATOM 0 HB3 ARG A 302 8.154 13.811 -8.455 1.00 0.00 H new ATOM 0 HG2 ARG A 302 5.895 13.034 -8.526 1.00 0.00 H new ATOM 0 HG3 ARG A 302 6.541 12.404 -7.024 1.00 0.00 H new ATOM 0 HD2 ARG A 302 4.736 13.365 -6.014 1.00 0.00 H new ATOM 0 HD3 ARG A 302 5.565 14.893 -6.233 1.00 0.00 H new ATOM 0 HE ARG A 302 3.998 13.988 -8.583 1.00 0.00 H new ATOM 0 HH11 ARG A 302 4.040 15.905 -5.599 1.00 0.00 H new ATOM 0 HH12 ARG A 302 2.684 16.924 -6.092 1.00 0.00 H new ATOM 0 HH21 ARG A 302 2.243 15.306 -9.221 1.00 0.00 H new ATOM 0 HH22 ARG A 302 1.664 16.584 -8.147 1.00 0.00 H new ATOM 169 N ALA A 303 10.461 13.448 -6.696 1.00 0.00 N ATOM 170 CA ALA A 303 11.509 12.443 -6.644 1.00 0.00 C ATOM 171 C ALA A 303 11.782 12.072 -5.185 1.00 0.00 C ATOM 172 O ALA A 303 12.083 10.919 -4.880 1.00 0.00 O ATOM 173 CB ALA A 303 12.758 12.970 -7.355 1.00 0.00 C ATOM 0 H ALA A 303 10.746 14.341 -7.098 1.00 0.00 H new ATOM 0 HA ALA A 303 11.197 11.536 -7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 303 13.544 12.216 -7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 303 12.519 13.191 -8.395 1.00 0.00 H new ATOM 0 HB3 ALA A 303 13.102 13.879 -6.861 1.00 0.00 H new ATOM 179 N VAL A 304 11.668 13.071 -4.322 1.00 0.00 N ATOM 180 CA VAL A 304 11.899 12.864 -2.903 1.00 0.00 C ATOM 181 C VAL A 304 10.863 11.877 -2.361 1.00 0.00 C ATOM 182 O VAL A 304 11.208 10.946 -1.635 1.00 0.00 O ATOM 183 CB VAL A 304 11.886 14.207 -2.169 1.00 0.00 C ATOM 184 CG1 VAL A 304 11.791 14.004 -0.656 1.00 0.00 C ATOM 185 CG2 VAL A 304 13.114 15.042 -2.534 1.00 0.00 C ATOM 0 H VAL A 304 11.419 14.026 -4.579 1.00 0.00 H new ATOM 0 HA VAL A 304 12.884 12.427 -2.736 1.00 0.00 H new ATOM 0 HB VAL A 304 11.000 14.756 -2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 304 11.784 14.974 -0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 304 10.873 13.467 -0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 304 12.649 13.426 -0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 304 13.081 15.991 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 304 14.018 14.500 -2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 304 13.120 15.230 -3.608 1.00 0.00 H new ATOM 195 N ILE A 305 9.614 12.115 -2.734 1.00 0.00 N ATOM 196 CA ILE A 305 8.526 11.258 -2.294 1.00 0.00 C ATOM 197 C ILE A 305 8.758 9.838 -2.813 1.00 0.00 C ATOM 198 O ILE A 305 8.641 8.872 -2.061 1.00 0.00 O ATOM 199 CB ILE A 305 7.177 11.851 -2.708 1.00 0.00 C ATOM 200 CG1 ILE A 305 6.972 13.234 -2.086 1.00 0.00 C ATOM 201 CG2 ILE A 305 6.031 10.895 -2.370 1.00 0.00 C ATOM 202 CD1 ILE A 305 6.686 14.282 -3.164 1.00 0.00 C ATOM 0 H ILE A 305 9.331 12.889 -3.336 1.00 0.00 H new ATOM 0 HA ILE A 305 8.503 11.200 -1.206 1.00 0.00 H new ATOM 0 HB ILE A 305 7.179 11.982 -3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 305 6.144 13.199 -1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 305 7.861 13.519 -1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 305 5.084 11.340 -2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 305 6.175 9.953 -2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 305 6.016 10.710 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 305 6.544 15.256 -2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 305 7.527 14.331 -3.856 1.00 0.00 H new ATOM 0 HD13 ILE A 305 5.783 14.006 -3.709 1.00 0.00 H new ATOM 214 N GLU A 306 9.084 9.757 -4.095 1.00 0.00 N ATOM 215 CA GLU A 306 9.335 8.471 -4.723 1.00 0.00 C ATOM 216 C GLU A 306 10.461 7.735 -3.995 1.00 0.00 C ATOM 217 O GLU A 306 10.338 6.550 -3.690 1.00 0.00 O ATOM 218 CB GLU A 306 9.660 8.640 -6.209 1.00 0.00 C ATOM 219 CG GLU A 306 8.418 9.056 -6.998 1.00 0.00 C ATOM 220 CD GLU A 306 8.495 8.561 -8.444 1.00 0.00 C ATOM 221 OE1 GLU A 306 9.635 8.433 -8.939 1.00 0.00 O ATOM 222 OE2 GLU A 306 7.412 8.321 -9.020 1.00 0.00 O ATOM 0 H GLU A 306 9.180 10.561 -4.715 1.00 0.00 H new ATOM 0 HA GLU A 306 8.429 7.870 -4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 306 10.441 9.391 -6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 306 10.052 7.704 -6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 306 7.526 8.652 -6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 306 8.322 10.142 -6.986 1.00 0.00 H new ATOM 229 N HIS A 307 11.535 8.468 -3.739 1.00 0.00 N ATOM 230 CA HIS A 307 12.682 7.900 -3.052 1.00 0.00 C ATOM 231 C HIS A 307 12.299 7.550 -1.613 1.00 0.00 C ATOM 232 O HIS A 307 12.570 6.445 -1.146 1.00 0.00 O ATOM 233 CB HIS A 307 13.885 8.842 -3.133 1.00 0.00 C ATOM 234 CG HIS A 307 15.211 8.171 -2.863 1.00 0.00 C ATOM 235 ND1 HIS A 307 15.869 7.406 -3.810 1.00 0.00 N ATOM 236 CD2 HIS A 307 15.993 8.159 -1.746 1.00 0.00 C ATOM 237 CE1 HIS A 307 16.996 6.958 -3.275 1.00 0.00 C ATOM 238 NE2 HIS A 307 17.070 7.425 -1.996 1.00 0.00 N ATOM 0 H HIS A 307 11.635 9.450 -3.995 1.00 0.00 H new ATOM 0 HA HIS A 307 12.983 6.976 -3.545 1.00 0.00 H new ATOM 0 HB2 HIS A 307 13.913 9.294 -4.125 1.00 0.00 H new ATOM 0 HB3 HIS A 307 13.747 9.653 -2.417 1.00 0.00 H new ATOM 0 HD2 HIS A 307 15.773 8.662 -0.816 1.00 0.00 H new ATOM 0 HE1 HIS A 307 17.727 6.333 -3.766 1.00 0.00 H new ATOM 0 HE2 HIS A 307 17.828 7.241 -1.339 1.00 0.00 H new ATOM 246 N ASN A 308 11.674 8.513 -0.951 1.00 0.00 N ATOM 247 CA ASN A 308 11.250 8.320 0.426 1.00 0.00 C ATOM 248 C ASN A 308 10.363 7.077 0.513 1.00 0.00 C ATOM 249 O ASN A 308 10.443 6.319 1.478 1.00 0.00 O ATOM 250 CB ASN A 308 10.437 9.517 0.924 1.00 0.00 C ATOM 251 CG ASN A 308 11.355 10.667 1.344 1.00 0.00 C ATOM 252 OD1 ASN A 308 12.561 10.631 1.162 1.00 0.00 O ATOM 253 ND2 ASN A 308 10.719 11.686 1.914 1.00 0.00 N ATOM 0 H ASN A 308 11.451 9.428 -1.342 1.00 0.00 H new ATOM 0 HA ASN A 308 12.143 8.209 1.041 1.00 0.00 H new ATOM 0 HB2 ASN A 308 9.762 9.855 0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 308 9.818 9.214 1.768 1.00 0.00 H new ATOM 0 HD21 ASN A 308 11.243 12.502 2.229 1.00 0.00 H new ATOM 0 HD22 ASN A 308 9.707 11.651 2.036 1.00 0.00 H new ATOM 260 N LEU A 309 9.537 6.906 -0.509 1.00 0.00 N ATOM 261 CA LEU A 309 8.635 5.768 -0.560 1.00 0.00 C ATOM 262 C LEU A 309 9.454 4.476 -0.612 1.00 0.00 C ATOM 263 O LEU A 309 9.082 3.477 0.001 1.00 0.00 O ATOM 264 CB LEU A 309 7.649 5.917 -1.720 1.00 0.00 C ATOM 265 CG LEU A 309 6.169 5.996 -1.336 1.00 0.00 C ATOM 266 CD1 LEU A 309 5.919 7.139 -0.350 1.00 0.00 C ATOM 267 CD2 LEU A 309 5.286 6.108 -2.580 1.00 0.00 C ATOM 0 H LEU A 309 9.474 7.537 -1.308 1.00 0.00 H new ATOM 0 HA LEU A 309 8.026 5.725 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 309 7.908 6.817 -2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 309 7.784 5.073 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 309 5.897 5.070 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 309 4.860 7.173 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 309 6.506 6.975 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 309 6.212 8.084 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 309 4.240 6.163 -2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 309 5.552 7.008 -3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 309 5.437 5.234 -3.213 1.00 0.00 H new ATOM 279 N LEU A 310 10.553 4.539 -1.349 1.00 0.00 N ATOM 280 CA LEU A 310 11.427 3.387 -1.489 1.00 0.00 C ATOM 281 C LEU A 310 12.214 3.190 -0.192 1.00 0.00 C ATOM 282 O LEU A 310 12.380 2.062 0.273 1.00 0.00 O ATOM 283 CB LEU A 310 12.312 3.533 -2.728 1.00 0.00 C ATOM 284 CG LEU A 310 11.666 3.149 -4.062 1.00 0.00 C ATOM 285 CD1 LEU A 310 12.642 3.355 -5.222 1.00 0.00 C ATOM 286 CD2 LEU A 310 11.122 1.720 -4.016 1.00 0.00 C ATOM 0 H LEU A 310 10.858 5.370 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 310 10.841 2.482 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 310 12.645 4.569 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 310 13.203 2.920 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 310 10.817 3.810 -4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 310 12.159 3.075 -6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 310 12.939 4.403 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 310 13.525 2.734 -5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 310 10.668 1.472 -4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 310 11.938 1.027 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 310 10.372 1.641 -3.229 1.00 0.00 H new ATOM 298 N SER A 311 12.679 4.303 0.357 1.00 0.00 N ATOM 299 CA SER A 311 13.445 4.266 1.591 1.00 0.00 C ATOM 300 C SER A 311 12.559 3.786 2.742 1.00 0.00 C ATOM 301 O SER A 311 12.971 2.944 3.538 1.00 0.00 O ATOM 302 CB SER A 311 14.036 5.640 1.913 1.00 0.00 C ATOM 303 OG SER A 311 15.224 5.897 1.170 1.00 0.00 O ATOM 0 H SER A 311 12.540 5.236 -0.031 1.00 0.00 H new ATOM 0 HA SER A 311 14.271 3.567 1.461 1.00 0.00 H new ATOM 0 HB2 SER A 311 13.298 6.412 1.695 1.00 0.00 H new ATOM 0 HB3 SER A 311 14.255 5.700 2.979 1.00 0.00 H new ATOM 0 HG SER A 311 15.570 6.784 1.402 1.00 0.00 H new ATOM 309 N ALA A 312 11.357 4.343 2.794 1.00 0.00 N ATOM 310 CA ALA A 312 10.410 3.982 3.835 1.00 0.00 C ATOM 311 C ALA A 312 9.964 2.533 3.633 1.00 0.00 C ATOM 312 O ALA A 312 9.502 1.885 4.571 1.00 0.00 O ATOM 313 CB ALA A 312 9.234 4.961 3.816 1.00 0.00 C ATOM 0 H ALA A 312 11.018 5.041 2.132 1.00 0.00 H new ATOM 0 HA ALA A 312 10.876 4.050 4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 312 8.523 4.691 4.597 1.00 0.00 H new ATOM 0 HB2 ALA A 312 9.600 5.973 3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 312 8.740 4.918 2.845 1.00 0.00 H new ATOM 319 N SER A 313 10.119 2.065 2.403 1.00 0.00 N ATOM 320 CA SER A 313 9.738 0.704 2.066 1.00 0.00 C ATOM 321 C SER A 313 10.758 -0.282 2.641 1.00 0.00 C ATOM 322 O SER A 313 10.424 -1.432 2.919 1.00 0.00 O ATOM 323 CB SER A 313 9.622 0.524 0.551 1.00 0.00 C ATOM 324 OG SER A 313 9.131 -0.768 0.204 1.00 0.00 O ATOM 0 H SER A 313 10.503 2.605 1.627 1.00 0.00 H new ATOM 0 HA SER A 313 8.760 0.503 2.505 1.00 0.00 H new ATOM 0 HB2 SER A 313 8.957 1.286 0.145 1.00 0.00 H new ATOM 0 HB3 SER A 313 10.599 0.676 0.092 1.00 0.00 H new ATOM 0 HG SER A 313 9.693 -1.153 -0.500 1.00 0.00 H new ATOM 330 N LYS A 314 11.979 0.206 2.801 1.00 0.00 N ATOM 331 CA LYS A 314 13.049 -0.618 3.338 1.00 0.00 C ATOM 332 C LYS A 314 13.281 -0.253 4.806 1.00 0.00 C ATOM 333 O LYS A 314 14.050 -0.915 5.500 1.00 0.00 O ATOM 334 CB LYS A 314 14.303 -0.500 2.470 1.00 0.00 C ATOM 335 CG LYS A 314 14.986 0.854 2.673 1.00 0.00 C ATOM 336 CD LYS A 314 16.482 0.765 2.363 1.00 0.00 C ATOM 337 CE LYS A 314 16.803 1.426 1.021 1.00 0.00 C ATOM 338 NZ LYS A 314 17.482 2.725 1.233 1.00 0.00 N ATOM 0 H LYS A 314 12.251 1.161 2.568 1.00 0.00 H new ATOM 0 HA LYS A 314 12.768 -1.671 3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 314 14.998 -1.302 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 314 14.036 -0.623 1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 314 14.521 1.600 2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 314 14.843 1.187 3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 314 17.051 1.249 3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 314 16.791 -0.280 2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 314 17.439 0.769 0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 314 15.884 1.577 0.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 314 17.693 3.161 0.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 314 16.862 3.355 1.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 314 18.368 2.572 1.755 1.00 0.00 H new ATOM 352 N LEU A 315 12.601 0.801 5.235 1.00 0.00 N ATOM 353 CA LEU A 315 12.724 1.262 6.607 1.00 0.00 C ATOM 354 C LEU A 315 11.509 0.791 7.409 1.00 0.00 C ATOM 355 O LEU A 315 11.592 -0.189 8.149 1.00 0.00 O ATOM 356 CB LEU A 315 12.936 2.777 6.646 1.00 0.00 C ATOM 357 CG LEU A 315 14.388 3.253 6.563 1.00 0.00 C ATOM 358 CD1 LEU A 315 14.494 4.553 5.763 1.00 0.00 C ATOM 359 CD2 LEU A 315 15.001 3.388 7.959 1.00 0.00 C ATOM 0 H LEU A 315 11.964 1.348 4.656 1.00 0.00 H new ATOM 0 HA LEU A 315 13.606 0.827 7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 315 12.380 3.223 5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 315 12.501 3.161 7.568 1.00 0.00 H new ATOM 0 HG LEU A 315 14.965 2.498 6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 315 15.536 4.869 5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 315 14.122 4.389 4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 315 13.900 5.328 6.247 1.00 0.00 H new ATOM 0 HD21 LEU A 315 16.033 3.728 7.872 1.00 0.00 H new ATOM 0 HD22 LEU A 315 14.429 4.112 8.539 1.00 0.00 H new ATOM 0 HD23 LEU A 315 14.978 2.421 8.461 1.00 0.00 H new ATOM 371 N TYR A 316 10.410 1.510 7.236 1.00 0.00 N ATOM 372 CA TYR A 316 9.180 1.177 7.935 1.00 0.00 C ATOM 373 C TYR A 316 8.533 -0.075 7.340 1.00 0.00 C ATOM 374 O TYR A 316 8.451 -0.216 6.120 1.00 0.00 O ATOM 375 CB TYR A 316 8.243 2.369 7.729 1.00 0.00 C ATOM 376 CG TYR A 316 8.678 3.637 8.465 1.00 0.00 C ATOM 377 CD1 TYR A 316 9.638 4.460 7.913 1.00 0.00 C ATOM 378 CD2 TYR A 316 8.109 3.959 9.681 1.00 0.00 C ATOM 379 CE1 TYR A 316 10.048 5.654 8.606 1.00 0.00 C ATOM 380 CE2 TYR A 316 8.519 5.153 10.374 1.00 0.00 C ATOM 381 CZ TYR A 316 9.468 5.942 9.802 1.00 0.00 C ATOM 382 OH TYR A 316 9.854 7.070 10.457 1.00 0.00 O ATOM 0 H TYR A 316 10.345 2.322 6.622 1.00 0.00 H new ATOM 0 HA TYR A 316 9.378 0.978 8.988 1.00 0.00 H new ATOM 0 HB2 TYR A 316 8.176 2.585 6.663 1.00 0.00 H new ATOM 0 HB3 TYR A 316 7.242 2.093 8.062 1.00 0.00 H new ATOM 0 HD1 TYR A 316 10.082 4.209 6.961 1.00 0.00 H new ATOM 0 HD2 TYR A 316 7.357 3.316 10.112 1.00 0.00 H new ATOM 0 HE1 TYR A 316 10.799 6.306 8.185 1.00 0.00 H new ATOM 0 HE2 TYR A 316 8.083 5.416 11.326 1.00 0.00 H new ATOM 0 HH TYR A 316 9.355 7.148 11.297 1.00 0.00 H new ATOM 392 N ASN A 317 8.090 -0.952 8.228 1.00 0.00 N ATOM 393 CA ASN A 317 7.452 -2.188 7.806 1.00 0.00 C ATOM 394 C ASN A 317 6.044 -1.880 7.292 1.00 0.00 C ATOM 395 O ASN A 317 5.604 -2.453 6.296 1.00 0.00 O ATOM 396 CB ASN A 317 7.326 -3.169 8.973 1.00 0.00 C ATOM 397 CG ASN A 317 8.030 -4.490 8.657 1.00 0.00 C ATOM 398 OD1 ASN A 317 7.860 -5.077 7.601 1.00 0.00 O ATOM 399 ND2 ASN A 317 8.828 -4.923 9.629 1.00 0.00 N ATOM 0 H ASN A 317 8.160 -0.832 9.238 1.00 0.00 H new ATOM 0 HA ASN A 317 8.066 -2.635 7.024 1.00 0.00 H new ATOM 0 HB2 ASN A 317 7.758 -2.728 9.871 1.00 0.00 H new ATOM 0 HB3 ASN A 317 6.273 -3.355 9.184 1.00 0.00 H new ATOM 0 HD21 ASN A 317 9.343 -5.796 9.515 1.00 0.00 H new ATOM 0 HD22 ASN A 317 8.925 -4.382 10.488 1.00 0.00 H new ATOM 406 N ASN A 318 5.377 -0.976 7.994 1.00 0.00 N ATOM 407 CA ASN A 318 4.028 -0.586 7.621 1.00 0.00 C ATOM 408 C ASN A 318 3.804 0.881 7.995 1.00 0.00 C ATOM 409 O ASN A 318 4.171 1.309 9.088 1.00 0.00 O ATOM 410 CB ASN A 318 2.986 -1.427 8.362 1.00 0.00 C ATOM 411 CG ASN A 318 3.545 -1.949 9.687 1.00 0.00 C ATOM 412 OD1 ASN A 318 3.566 -3.139 9.956 1.00 0.00 O ATOM 413 ND2 ASN A 318 3.995 -0.995 10.498 1.00 0.00 N ATOM 0 H ASN A 318 5.745 -0.502 8.819 1.00 0.00 H new ATOM 0 HA ASN A 318 3.918 -0.739 6.547 1.00 0.00 H new ATOM 0 HB2 ASN A 318 2.096 -0.827 8.550 1.00 0.00 H new ATOM 0 HB3 ASN A 318 2.679 -2.266 7.737 1.00 0.00 H new ATOM 0 HD21 ASN A 318 4.387 -1.241 11.407 1.00 0.00 H new ATOM 0 HD22 ASN A 318 3.948 -0.017 10.211 1.00 0.00 H new ATOM 420 N ILE A 319 3.203 1.610 7.066 1.00 0.00 N ATOM 421 CA ILE A 319 2.926 3.019 7.285 1.00 0.00 C ATOM 422 C ILE A 319 1.623 3.394 6.577 1.00 0.00 C ATOM 423 O ILE A 319 1.297 2.835 5.531 1.00 0.00 O ATOM 424 CB ILE A 319 4.124 3.872 6.861 1.00 0.00 C ATOM 425 CG1 ILE A 319 4.029 5.282 7.450 1.00 0.00 C ATOM 426 CG2 ILE A 319 4.269 3.896 5.338 1.00 0.00 C ATOM 427 CD1 ILE A 319 5.394 5.972 7.442 1.00 0.00 C ATOM 0 H ILE A 319 2.900 1.251 6.160 1.00 0.00 H new ATOM 0 HA ILE A 319 2.781 3.219 8.347 1.00 0.00 H new ATOM 0 HB ILE A 319 5.028 3.415 7.263 1.00 0.00 H new ATOM 0 HG12 ILE A 319 3.315 5.873 6.876 1.00 0.00 H new ATOM 0 HG13 ILE A 319 3.650 5.229 8.471 1.00 0.00 H new ATOM 0 HG21 ILE A 319 5.128 4.509 5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 319 4.416 2.880 4.970 1.00 0.00 H new ATOM 0 HG23 ILE A 319 3.367 4.316 4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 319 5.299 6.972 7.865 1.00 0.00 H new ATOM 0 HD12 ILE A 319 6.099 5.391 8.037 1.00 0.00 H new ATOM 0 HD13 ILE A 319 5.759 6.045 6.417 1.00 0.00 H new ATOM 439 N THR A 320 0.912 4.339 7.175 1.00 0.00 N ATOM 440 CA THR A 320 -0.348 4.795 6.615 1.00 0.00 C ATOM 441 C THR A 320 -0.129 6.039 5.752 1.00 0.00 C ATOM 442 O THR A 320 0.935 6.654 5.801 1.00 0.00 O ATOM 443 CB THR A 320 -1.325 5.022 7.770 1.00 0.00 C ATOM 444 OG1 THR A 320 -2.559 5.331 7.127 1.00 0.00 O ATOM 445 CG2 THR A 320 -0.999 6.282 8.575 1.00 0.00 C ATOM 0 H THR A 320 1.185 4.801 8.042 1.00 0.00 H new ATOM 0 HA THR A 320 -0.778 4.047 5.949 1.00 0.00 H new ATOM 0 HB THR A 320 -1.311 4.155 8.431 1.00 0.00 H new ATOM 0 HG1 THR A 320 -2.749 4.657 6.442 1.00 0.00 H new ATOM 0 HG21 THR A 320 -1.723 6.396 9.382 1.00 0.00 H new ATOM 0 HG22 THR A 320 0.003 6.196 8.996 1.00 0.00 H new ATOM 0 HG23 THR A 320 -1.045 7.153 7.922 1.00 0.00 H new ATOM 453 N PHE A 321 -1.154 6.374 4.981 1.00 0.00 N ATOM 454 CA PHE A 321 -1.086 7.534 4.108 1.00 0.00 C ATOM 455 C PHE A 321 -0.806 8.807 4.909 1.00 0.00 C ATOM 456 O PHE A 321 -0.078 9.685 4.450 1.00 0.00 O ATOM 457 CB PHE A 321 -2.451 7.662 3.429 1.00 0.00 C ATOM 458 CG PHE A 321 -2.870 6.425 2.633 1.00 0.00 C ATOM 459 CD1 PHE A 321 -1.960 5.774 1.860 1.00 0.00 C ATOM 460 CD2 PHE A 321 -4.152 5.975 2.700 1.00 0.00 C ATOM 461 CE1 PHE A 321 -2.348 4.625 1.121 1.00 0.00 C ATOM 462 CE2 PHE A 321 -4.540 4.826 1.961 1.00 0.00 C ATOM 463 CZ PHE A 321 -3.630 4.175 1.187 1.00 0.00 C ATOM 0 H PHE A 321 -2.036 5.863 4.943 1.00 0.00 H new ATOM 0 HA PHE A 321 -0.281 7.409 3.384 1.00 0.00 H new ATOM 0 HB2 PHE A 321 -3.206 7.865 4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 321 -2.433 8.523 2.760 1.00 0.00 H new ATOM 0 HD1 PHE A 321 -0.942 6.131 1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 321 -4.874 6.491 3.315 1.00 0.00 H new ATOM 0 HE1 PHE A 321 -1.625 4.109 0.507 1.00 0.00 H new ATOM 0 HE2 PHE A 321 -5.558 4.469 2.013 1.00 0.00 H new ATOM 0 HZ PHE A 321 -3.925 3.301 0.625 1.00 0.00 H new ATOM 473 N GLU A 322 -1.399 8.866 6.092 1.00 0.00 N ATOM 474 CA GLU A 322 -1.222 10.017 6.962 1.00 0.00 C ATOM 475 C GLU A 322 0.251 10.169 7.348 1.00 0.00 C ATOM 476 O GLU A 322 0.819 11.253 7.227 1.00 0.00 O ATOM 477 CB GLU A 322 -2.107 9.906 8.205 1.00 0.00 C ATOM 478 CG GLU A 322 -3.580 10.119 7.851 1.00 0.00 C ATOM 479 CD GLU A 322 -3.972 11.591 7.998 1.00 0.00 C ATOM 480 OE1 GLU A 322 -4.038 12.046 9.160 1.00 0.00 O ATOM 481 OE2 GLU A 322 -4.197 12.226 6.946 1.00 0.00 O ATOM 0 H GLU A 322 -2.003 8.135 6.469 1.00 0.00 H new ATOM 0 HA GLU A 322 -1.528 10.910 6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 322 -1.977 8.925 8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 322 -1.796 10.645 8.944 1.00 0.00 H new ATOM 0 HG2 GLU A 322 -3.763 9.791 6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 322 -4.206 9.506 8.499 1.00 0.00 H new ATOM 488 N GLU A 323 0.826 9.067 7.806 1.00 0.00 N ATOM 489 CA GLU A 323 2.222 9.064 8.211 1.00 0.00 C ATOM 490 C GLU A 323 3.131 9.137 6.982 1.00 0.00 C ATOM 491 O GLU A 323 4.093 9.904 6.963 1.00 0.00 O ATOM 492 CB GLU A 323 2.544 7.832 9.059 1.00 0.00 C ATOM 493 CG GLU A 323 2.096 8.031 10.508 1.00 0.00 C ATOM 494 CD GLU A 323 3.160 8.783 11.311 1.00 0.00 C ATOM 495 OE1 GLU A 323 3.767 9.706 10.726 1.00 0.00 O ATOM 496 OE2 GLU A 323 3.342 8.418 12.493 1.00 0.00 O ATOM 0 H GLU A 323 0.351 8.170 7.906 1.00 0.00 H new ATOM 0 HA GLU A 323 2.404 9.945 8.826 1.00 0.00 H new ATOM 0 HB2 GLU A 323 2.048 6.957 8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 323 3.616 7.636 9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 323 1.158 8.586 10.530 1.00 0.00 H new ATOM 0 HG3 GLU A 323 1.904 7.062 10.970 1.00 0.00 H new ATOM 503 N LEU A 324 2.794 8.330 5.987 1.00 0.00 N ATOM 504 CA LEU A 324 3.569 8.293 4.758 1.00 0.00 C ATOM 505 C LEU A 324 3.614 9.695 4.148 1.00 0.00 C ATOM 506 O LEU A 324 4.660 10.137 3.676 1.00 0.00 O ATOM 507 CB LEU A 324 3.018 7.227 3.810 1.00 0.00 C ATOM 508 CG LEU A 324 3.917 6.850 2.630 1.00 0.00 C ATOM 509 CD1 LEU A 324 5.359 6.626 3.089 1.00 0.00 C ATOM 510 CD2 LEU A 324 3.360 5.638 1.881 1.00 0.00 C ATOM 0 H LEU A 324 1.995 7.697 6.007 1.00 0.00 H new ATOM 0 HA LEU A 324 4.599 8.001 4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 324 2.814 6.326 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 324 2.064 7.577 3.417 1.00 0.00 H new ATOM 0 HG LEU A 324 3.928 7.685 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 324 5.977 6.359 2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 324 5.743 7.540 3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 324 5.387 5.819 3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 324 4.018 5.391 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 324 3.300 4.787 2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 324 2.365 5.871 1.501 1.00 0.00 H new ATOM 522 N GLY A 325 2.466 10.356 4.176 1.00 0.00 N ATOM 523 CA GLY A 325 2.361 11.699 3.632 1.00 0.00 C ATOM 524 C GLY A 325 3.012 12.722 4.565 1.00 0.00 C ATOM 525 O GLY A 325 3.572 13.717 4.108 1.00 0.00 O ATOM 0 H GLY A 325 1.600 9.986 4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 325 2.840 11.737 2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 325 1.312 11.954 3.483 1.00 0.00 H new ATOM 529 N ALA A 326 2.917 12.441 5.856 1.00 0.00 N ATOM 530 CA ALA A 326 3.490 13.324 6.858 1.00 0.00 C ATOM 531 C ALA A 326 5.010 13.357 6.694 1.00 0.00 C ATOM 532 O ALA A 326 5.647 14.373 6.970 1.00 0.00 O ATOM 533 CB ALA A 326 3.064 12.860 8.252 1.00 0.00 C ATOM 0 H ALA A 326 2.452 11.615 6.232 1.00 0.00 H new ATOM 0 HA ALA A 326 3.122 14.342 6.727 1.00 0.00 H new ATOM 0 HB1 ALA A 326 3.494 13.523 9.003 1.00 0.00 H new ATOM 0 HB2 ALA A 326 1.977 12.884 8.327 1.00 0.00 H new ATOM 0 HB3 ALA A 326 3.417 11.843 8.421 1.00 0.00 H new ATOM 539 N LEU A 327 5.549 12.233 6.244 1.00 0.00 N ATOM 540 CA LEU A 327 6.983 12.120 6.040 1.00 0.00 C ATOM 541 C LEU A 327 7.373 12.870 4.765 1.00 0.00 C ATOM 542 O LEU A 327 8.402 13.542 4.725 1.00 0.00 O ATOM 543 CB LEU A 327 7.411 10.651 6.044 1.00 0.00 C ATOM 544 CG LEU A 327 8.497 10.265 5.038 1.00 0.00 C ATOM 545 CD1 LEU A 327 9.816 10.972 5.358 1.00 0.00 C ATOM 546 CD2 LEU A 327 8.664 8.746 4.966 1.00 0.00 C ATOM 0 H LEU A 327 5.018 11.393 6.015 1.00 0.00 H new ATOM 0 HA LEU A 327 7.523 12.588 6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 327 7.764 10.399 7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 327 6.531 10.037 5.852 1.00 0.00 H new ATOM 0 HG LEU A 327 8.182 10.601 4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 327 10.571 10.681 4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 327 9.669 12.051 5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 327 10.148 10.688 6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 327 9.442 8.499 4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 327 8.946 8.364 5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 327 7.723 8.291 4.656 1.00 0.00 H new ATOM 558 N LEU A 328 6.529 12.729 3.752 1.00 0.00 N ATOM 559 CA LEU A 328 6.772 13.385 2.479 1.00 0.00 C ATOM 560 C LEU A 328 6.171 14.791 2.511 1.00 0.00 C ATOM 561 O LEU A 328 6.087 15.458 1.481 1.00 0.00 O ATOM 562 CB LEU A 328 6.257 12.522 1.325 1.00 0.00 C ATOM 563 CG LEU A 328 6.322 11.009 1.538 1.00 0.00 C ATOM 564 CD1 LEU A 328 5.014 10.339 1.112 1.00 0.00 C ATOM 565 CD2 LEU A 328 7.534 10.406 0.826 1.00 0.00 C ATOM 0 H LEU A 328 5.677 12.170 3.788 1.00 0.00 H new ATOM 0 HA LEU A 328 7.842 13.500 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 328 5.221 12.797 1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 328 6.829 12.768 0.430 1.00 0.00 H new ATOM 0 HG LEU A 328 6.449 10.819 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 328 5.087 9.264 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 328 4.191 10.740 1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 328 4.832 10.536 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 328 7.556 9.329 0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 328 7.464 10.605 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 328 8.447 10.853 1.219 1.00 0.00 H new ATOM 577 N GLU A 329 5.769 15.201 3.706 1.00 0.00 N ATOM 578 CA GLU A 329 5.178 16.516 3.886 1.00 0.00 C ATOM 579 C GLU A 329 3.961 16.681 2.973 1.00 0.00 C ATOM 580 O GLU A 329 3.508 17.799 2.732 1.00 0.00 O ATOM 581 CB GLU A 329 6.207 17.619 3.632 1.00 0.00 C ATOM 582 CG GLU A 329 7.100 17.828 4.857 1.00 0.00 C ATOM 583 CD GLU A 329 6.452 18.795 5.850 1.00 0.00 C ATOM 584 OE1 GLU A 329 5.226 18.662 6.053 1.00 0.00 O ATOM 585 OE2 GLU A 329 7.198 19.645 6.383 1.00 0.00 O ATOM 0 H GLU A 329 5.841 14.645 4.558 1.00 0.00 H new ATOM 0 HA GLU A 329 4.846 16.605 4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 329 6.821 17.357 2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 329 5.695 18.550 3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 329 7.285 16.871 5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 329 8.068 18.218 4.543 1.00 0.00 H new ATOM 592 N ILE A 330 3.467 15.551 2.489 1.00 0.00 N ATOM 593 CA ILE A 330 2.311 15.556 1.608 1.00 0.00 C ATOM 594 C ILE A 330 1.126 14.905 2.325 1.00 0.00 C ATOM 595 O ILE A 330 1.300 14.248 3.350 1.00 0.00 O ATOM 596 CB ILE A 330 2.655 14.900 0.270 1.00 0.00 C ATOM 597 CG1 ILE A 330 2.485 13.381 0.343 1.00 0.00 C ATOM 598 CG2 ILE A 330 4.059 15.297 -0.191 1.00 0.00 C ATOM 599 CD1 ILE A 330 2.852 12.723 -0.988 1.00 0.00 C ATOM 0 H ILE A 330 3.846 14.626 2.690 1.00 0.00 H new ATOM 0 HA ILE A 330 2.018 16.578 1.370 1.00 0.00 H new ATOM 0 HB ILE A 330 1.954 15.267 -0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 330 3.114 12.979 1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 330 1.454 13.139 0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 330 4.278 14.817 -1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 330 4.111 16.379 -0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 330 4.790 14.978 0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 330 2.722 11.644 -0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 330 2.205 13.109 -1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 330 3.891 12.947 -1.230 1.00 0.00 H new ATOM 611 N PRO A 331 -0.085 15.117 1.742 1.00 0.00 N ATOM 612 CA PRO A 331 -1.298 14.560 2.314 1.00 0.00 C ATOM 613 C PRO A 331 -1.392 13.057 2.042 1.00 0.00 C ATOM 614 O PRO A 331 -0.722 12.541 1.149 1.00 0.00 O ATOM 615 CB PRO A 331 -2.431 15.350 1.679 1.00 0.00 C ATOM 616 CG PRO A 331 -1.842 15.999 0.437 1.00 0.00 C ATOM 617 CD PRO A 331 -0.329 15.891 0.528 1.00 0.00 C ATOM 0 HA PRO A 331 -1.329 14.647 3.400 1.00 0.00 H new ATOM 0 HB2 PRO A 331 -3.265 14.698 1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 331 -2.816 16.102 2.367 1.00 0.00 H new ATOM 0 HG2 PRO A 331 -2.207 15.503 -0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 331 -2.147 17.043 0.371 1.00 0.00 H new ATOM 0 HD2 PRO A 331 0.086 15.394 -0.349 1.00 0.00 H new ATOM 0 HD3 PRO A 331 0.136 16.875 0.586 1.00 0.00 H new ATOM 625 N ALA A 332 -2.229 12.397 2.830 1.00 0.00 N ATOM 626 CA ALA A 332 -2.419 10.963 2.685 1.00 0.00 C ATOM 627 C ALA A 332 -2.903 10.658 1.267 1.00 0.00 C ATOM 628 O ALA A 332 -2.490 9.668 0.665 1.00 0.00 O ATOM 629 CB ALA A 332 -3.394 10.467 3.754 1.00 0.00 C ATOM 0 H ALA A 332 -2.783 12.828 3.570 1.00 0.00 H new ATOM 0 HA ALA A 332 -1.477 10.434 2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 332 -3.537 9.392 3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 332 -2.989 10.681 4.743 1.00 0.00 H new ATOM 0 HB3 ALA A 332 -4.352 10.974 3.636 1.00 0.00 H new ATOM 635 N ALA A 333 -3.774 11.527 0.773 1.00 0.00 N ATOM 636 CA ALA A 333 -4.319 11.362 -0.563 1.00 0.00 C ATOM 637 C ALA A 333 -3.177 11.381 -1.582 1.00 0.00 C ATOM 638 O ALA A 333 -3.206 10.643 -2.565 1.00 0.00 O ATOM 639 CB ALA A 333 -5.356 12.455 -0.830 1.00 0.00 C ATOM 0 H ALA A 333 -4.115 12.347 1.275 1.00 0.00 H new ATOM 0 HA ALA A 333 -4.826 10.401 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 333 -5.765 12.331 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 333 -6.160 12.380 -0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 333 -4.882 13.433 -0.750 1.00 0.00 H new ATOM 645 N LYS A 334 -2.200 12.234 -1.311 1.00 0.00 N ATOM 646 CA LYS A 334 -1.051 12.359 -2.191 1.00 0.00 C ATOM 647 C LYS A 334 -0.153 11.130 -2.029 1.00 0.00 C ATOM 648 O LYS A 334 0.264 10.527 -3.017 1.00 0.00 O ATOM 649 CB LYS A 334 -0.328 13.685 -1.944 1.00 0.00 C ATOM 650 CG LYS A 334 0.451 14.124 -3.185 1.00 0.00 C ATOM 651 CD LYS A 334 -0.492 14.662 -4.263 1.00 0.00 C ATOM 652 CE LYS A 334 0.199 14.697 -5.628 1.00 0.00 C ATOM 653 NZ LYS A 334 -0.011 16.008 -6.281 1.00 0.00 N ATOM 0 H LYS A 334 -2.181 12.845 -0.495 1.00 0.00 H new ATOM 0 HA LYS A 334 -1.371 12.386 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -1.052 14.454 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 334 0.354 13.580 -1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 334 1.173 14.893 -2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 334 1.017 13.281 -3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -1.382 14.036 -4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -0.824 15.665 -3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 334 1.266 14.511 -5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 334 -0.193 13.901 -6.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 0.003 15.887 -7.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -0.930 16.398 -5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 0.747 16.662 -5.999 1.00 0.00 H new ATOM 667 N ALA A 335 0.117 10.796 -0.776 1.00 0.00 N ATOM 668 CA ALA A 335 0.957 9.650 -0.472 1.00 0.00 C ATOM 669 C ALA A 335 0.260 8.372 -0.944 1.00 0.00 C ATOM 670 O ALA A 335 0.919 7.402 -1.316 1.00 0.00 O ATOM 671 CB ALA A 335 1.266 9.626 1.027 1.00 0.00 C ATOM 0 H ALA A 335 -0.231 11.299 0.041 1.00 0.00 H new ATOM 0 HA ALA A 335 1.908 9.721 -1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 335 1.896 8.766 1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 335 1.787 10.542 1.306 1.00 0.00 H new ATOM 0 HB3 ALA A 335 0.335 9.553 1.589 1.00 0.00 H new ATOM 677 N GLU A 336 -1.064 8.413 -0.914 1.00 0.00 N ATOM 678 CA GLU A 336 -1.857 7.270 -1.335 1.00 0.00 C ATOM 679 C GLU A 336 -1.760 7.086 -2.850 1.00 0.00 C ATOM 680 O GLU A 336 -1.590 5.967 -3.333 1.00 0.00 O ATOM 681 CB GLU A 336 -3.314 7.423 -0.893 1.00 0.00 C ATOM 682 CG GLU A 336 -4.198 6.355 -1.542 1.00 0.00 C ATOM 683 CD GLU A 336 -5.679 6.645 -1.294 1.00 0.00 C ATOM 684 OE1 GLU A 336 -6.116 7.747 -1.691 1.00 0.00 O ATOM 685 OE2 GLU A 336 -6.342 5.758 -0.714 1.00 0.00 O ATOM 0 H GLU A 336 -1.607 9.219 -0.605 1.00 0.00 H new ATOM 0 HA GLU A 336 -1.457 6.377 -0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 336 -3.379 7.344 0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 336 -3.678 8.415 -1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 336 -4.005 6.320 -2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 336 -3.944 5.374 -1.141 1.00 0.00 H new ATOM 692 N LYS A 337 -1.871 8.200 -3.559 1.00 0.00 N ATOM 693 CA LYS A 337 -1.798 8.175 -5.010 1.00 0.00 C ATOM 694 C LYS A 337 -0.374 7.814 -5.438 1.00 0.00 C ATOM 695 O LYS A 337 -0.180 6.973 -6.314 1.00 0.00 O ATOM 696 CB LYS A 337 -2.300 9.496 -5.594 1.00 0.00 C ATOM 697 CG LYS A 337 -1.859 9.654 -7.051 1.00 0.00 C ATOM 698 CD LYS A 337 -2.512 8.593 -7.939 1.00 0.00 C ATOM 699 CE LYS A 337 -2.588 9.065 -9.393 1.00 0.00 C ATOM 700 NZ LYS A 337 -2.872 7.926 -10.294 1.00 0.00 N ATOM 0 H LYS A 337 -2.011 9.126 -3.155 1.00 0.00 H new ATOM 0 HA LYS A 337 -2.457 7.405 -5.412 1.00 0.00 H new ATOM 0 HB2 LYS A 337 -3.388 9.535 -5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 337 -1.918 10.328 -5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 337 -2.126 10.648 -7.410 1.00 0.00 H new ATOM 0 HG3 LYS A 337 -0.774 9.572 -7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 337 -1.941 7.666 -7.883 1.00 0.00 H new ATOM 0 HD3 LYS A 337 -3.514 8.373 -7.572 1.00 0.00 H new ATOM 0 HE2 LYS A 337 -3.367 9.821 -9.496 1.00 0.00 H new ATOM 0 HE3 LYS A 337 -1.647 9.536 -9.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 -2.920 8.264 -11.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 -2.115 7.218 -10.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 -3.781 7.494 -10.032 1.00 0.00 H new ATOM 714 N ILE A 338 0.585 8.469 -4.800 1.00 0.00 N ATOM 715 CA ILE A 338 1.985 8.228 -5.104 1.00 0.00 C ATOM 716 C ILE A 338 2.335 6.779 -4.761 1.00 0.00 C ATOM 717 O ILE A 338 2.963 6.082 -5.557 1.00 0.00 O ATOM 718 CB ILE A 338 2.871 9.258 -4.400 1.00 0.00 C ATOM 719 CG1 ILE A 338 2.560 10.674 -4.888 1.00 0.00 C ATOM 720 CG2 ILE A 338 4.352 8.908 -4.561 1.00 0.00 C ATOM 721 CD1 ILE A 338 3.368 11.713 -4.108 1.00 0.00 C ATOM 0 H ILE A 338 0.420 9.166 -4.074 1.00 0.00 H new ATOM 0 HA ILE A 338 2.171 8.357 -6.170 1.00 0.00 H new ATOM 0 HB ILE A 338 2.647 9.229 -3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 338 2.788 10.754 -5.951 1.00 0.00 H new ATOM 0 HG13 ILE A 338 1.495 10.876 -4.774 1.00 0.00 H new ATOM 0 HG21 ILE A 338 4.960 9.656 -4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 338 4.543 7.927 -4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 338 4.609 8.892 -5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 338 3.128 12.711 -4.475 1.00 0.00 H new ATOM 0 HD12 ILE A 338 3.120 11.646 -3.049 1.00 0.00 H new ATOM 0 HD13 ILE A 338 4.433 11.523 -4.244 1.00 0.00 H new ATOM 733 N ALA A 339 1.914 6.367 -3.574 1.00 0.00 N ATOM 734 CA ALA A 339 2.175 5.013 -3.116 1.00 0.00 C ATOM 735 C ALA A 339 1.608 4.017 -4.130 1.00 0.00 C ATOM 736 O ALA A 339 2.248 3.016 -4.447 1.00 0.00 O ATOM 737 CB ALA A 339 1.581 4.824 -1.718 1.00 0.00 C ATOM 0 H ALA A 339 1.394 6.947 -2.916 1.00 0.00 H new ATOM 0 HA ALA A 339 3.247 4.833 -3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 339 1.776 3.808 -1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 339 2.038 5.535 -1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 339 0.505 4.994 -1.754 1.00 0.00 H new ATOM 743 N SER A 340 0.413 4.328 -4.611 1.00 0.00 N ATOM 744 CA SER A 340 -0.248 3.473 -5.583 1.00 0.00 C ATOM 745 C SER A 340 0.460 3.574 -6.935 1.00 0.00 C ATOM 746 O SER A 340 0.799 2.558 -7.540 1.00 0.00 O ATOM 747 CB SER A 340 -1.725 3.843 -5.728 1.00 0.00 C ATOM 748 OG SER A 340 -2.544 2.697 -5.945 1.00 0.00 O ATOM 0 H SER A 340 -0.114 5.160 -4.346 1.00 0.00 H new ATOM 0 HA SER A 340 -0.193 2.444 -5.227 1.00 0.00 H new ATOM 0 HB2 SER A 340 -2.059 4.362 -4.829 1.00 0.00 H new ATOM 0 HB3 SER A 340 -1.845 4.537 -6.560 1.00 0.00 H new ATOM 0 HG SER A 340 -3.480 2.975 -6.031 1.00 0.00 H new ATOM 754 N GLN A 341 0.662 4.809 -7.370 1.00 0.00 N ATOM 755 CA GLN A 341 1.323 5.057 -8.640 1.00 0.00 C ATOM 756 C GLN A 341 2.733 4.462 -8.630 1.00 0.00 C ATOM 757 O GLN A 341 3.209 3.967 -9.650 1.00 0.00 O ATOM 758 CB GLN A 341 1.362 6.553 -8.956 1.00 0.00 C ATOM 759 CG GLN A 341 1.081 6.808 -10.438 1.00 0.00 C ATOM 760 CD GLN A 341 1.450 8.241 -10.828 1.00 0.00 C ATOM 761 OE1 GLN A 341 0.690 9.177 -10.644 1.00 0.00 O ATOM 762 NE2 GLN A 341 2.657 8.359 -11.374 1.00 0.00 N ATOM 0 H GLN A 341 0.379 5.649 -6.865 1.00 0.00 H new ATOM 0 HA GLN A 341 0.749 4.568 -9.427 1.00 0.00 H new ATOM 0 HB2 GLN A 341 0.625 7.076 -8.347 1.00 0.00 H new ATOM 0 HB3 GLN A 341 2.339 6.959 -8.692 1.00 0.00 H new ATOM 0 HG2 GLN A 341 1.650 6.104 -11.046 1.00 0.00 H new ATOM 0 HG3 GLN A 341 0.026 6.631 -10.648 1.00 0.00 H new ATOM 0 HE21 GLN A 341 3.243 7.534 -11.499 1.00 0.00 H new ATOM 0 HE22 GLN A 341 2.997 9.275 -11.667 1.00 0.00 H new ATOM 771 N MET A 342 3.360 4.529 -7.465 1.00 0.00 N ATOM 772 CA MET A 342 4.706 4.004 -7.308 1.00 0.00 C ATOM 773 C MET A 342 4.738 2.495 -7.560 1.00 0.00 C ATOM 774 O MET A 342 5.599 2.001 -8.286 1.00 0.00 O ATOM 775 CB MET A 342 5.206 4.296 -5.892 1.00 0.00 C ATOM 776 CG MET A 342 6.046 5.574 -5.860 1.00 0.00 C ATOM 777 SD MET A 342 7.474 5.392 -6.915 1.00 0.00 S ATOM 778 CE MET A 342 8.636 4.704 -5.748 1.00 0.00 C ATOM 0 H MET A 342 2.961 4.939 -6.621 1.00 0.00 H new ATOM 0 HA MET A 342 5.353 4.490 -8.038 1.00 0.00 H new ATOM 0 HB2 MET A 342 4.357 4.398 -5.216 1.00 0.00 H new ATOM 0 HB3 MET A 342 5.801 3.456 -5.532 1.00 0.00 H new ATOM 0 HG2 MET A 342 5.446 6.422 -6.190 1.00 0.00 H new ATOM 0 HG3 MET A 342 6.363 5.785 -4.839 1.00 0.00 H new ATOM 0 HE1 MET A 342 9.651 4.961 -6.051 1.00 0.00 H new ATOM 0 HE2 MET A 342 8.439 5.110 -4.756 1.00 0.00 H new ATOM 0 HE3 MET A 342 8.529 3.620 -5.724 1.00 0.00 H new ATOM 788 N ILE A 343 3.788 1.804 -6.945 1.00 0.00 N ATOM 789 CA ILE A 343 3.697 0.362 -7.094 1.00 0.00 C ATOM 790 C ILE A 343 3.292 0.026 -8.531 1.00 0.00 C ATOM 791 O ILE A 343 3.763 -0.959 -9.098 1.00 0.00 O ATOM 792 CB ILE A 343 2.760 -0.227 -6.038 1.00 0.00 C ATOM 793 CG1 ILE A 343 3.413 -0.211 -4.654 1.00 0.00 C ATOM 794 CG2 ILE A 343 2.297 -1.630 -6.436 1.00 0.00 C ATOM 795 CD1 ILE A 343 2.408 -0.597 -3.568 1.00 0.00 C ATOM 0 H ILE A 343 3.075 2.217 -6.343 1.00 0.00 H new ATOM 0 HA ILE A 343 4.668 -0.101 -6.920 1.00 0.00 H new ATOM 0 HB ILE A 343 1.872 0.402 -5.982 1.00 0.00 H new ATOM 0 HG12 ILE A 343 4.255 -0.903 -4.637 1.00 0.00 H new ATOM 0 HG13 ILE A 343 3.812 0.782 -4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 343 1.632 -2.025 -5.668 1.00 0.00 H new ATOM 0 HG22 ILE A 343 1.765 -1.582 -7.386 1.00 0.00 H new ATOM 0 HG23 ILE A 343 3.163 -2.284 -6.538 1.00 0.00 H new ATOM 0 HD11 ILE A 343 2.899 -0.578 -2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 343 1.579 0.111 -3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 343 2.029 -1.600 -3.763 1.00 0.00 H new ATOM 807 N THR A 344 2.424 0.864 -9.078 1.00 0.00 N ATOM 808 CA THR A 344 1.951 0.668 -10.438 1.00 0.00 C ATOM 809 C THR A 344 3.097 0.856 -11.434 1.00 0.00 C ATOM 810 O THR A 344 3.132 0.204 -12.476 1.00 0.00 O ATOM 811 CB THR A 344 0.779 1.624 -10.673 1.00 0.00 C ATOM 812 OG1 THR A 344 -0.298 1.037 -9.948 1.00 0.00 O ATOM 813 CG2 THR A 344 0.299 1.615 -12.126 1.00 0.00 C ATOM 0 H THR A 344 2.036 1.680 -8.605 1.00 0.00 H new ATOM 0 HA THR A 344 1.594 -0.351 -10.590 1.00 0.00 H new ATOM 0 HB THR A 344 1.074 2.636 -10.394 1.00 0.00 H new ATOM 0 HG1 THR A 344 -0.264 1.334 -9.015 1.00 0.00 H new ATOM 0 HG21 THR A 344 -0.533 2.310 -12.239 1.00 0.00 H new ATOM 0 HG22 THR A 344 1.116 1.918 -12.781 1.00 0.00 H new ATOM 0 HG23 THR A 344 -0.028 0.611 -12.395 1.00 0.00 H new ATOM 821 N GLU A 345 4.007 1.751 -11.078 1.00 0.00 N ATOM 822 CA GLU A 345 5.152 2.034 -11.927 1.00 0.00 C ATOM 823 C GLU A 345 6.226 0.960 -11.744 1.00 0.00 C ATOM 824 O GLU A 345 7.207 0.926 -12.485 1.00 0.00 O ATOM 825 CB GLU A 345 5.715 3.427 -11.643 1.00 0.00 C ATOM 826 CG GLU A 345 5.187 4.449 -12.652 1.00 0.00 C ATOM 827 CD GLU A 345 6.266 5.472 -13.013 1.00 0.00 C ATOM 828 OE1 GLU A 345 6.791 6.100 -12.069 1.00 0.00 O ATOM 829 OE2 GLU A 345 6.541 5.603 -14.226 1.00 0.00 O ATOM 0 H GLU A 345 3.975 2.290 -10.213 1.00 0.00 H new ATOM 0 HA GLU A 345 4.822 2.017 -12.966 1.00 0.00 H new ATOM 0 HB2 GLU A 345 5.443 3.734 -10.633 1.00 0.00 H new ATOM 0 HB3 GLU A 345 6.804 3.398 -11.685 1.00 0.00 H new ATOM 0 HG2 GLU A 345 4.852 3.936 -13.553 1.00 0.00 H new ATOM 0 HG3 GLU A 345 4.320 4.962 -12.236 1.00 0.00 H new ATOM 836 N GLY A 346 6.005 0.110 -10.752 1.00 0.00 N ATOM 837 CA GLY A 346 6.942 -0.962 -10.461 1.00 0.00 C ATOM 838 C GLY A 346 8.063 -0.476 -9.540 1.00 0.00 C ATOM 839 O GLY A 346 8.814 -1.281 -8.992 1.00 0.00 O ATOM 0 H GLY A 346 5.190 0.142 -10.139 1.00 0.00 H new ATOM 0 HA2 GLY A 346 6.415 -1.793 -9.991 1.00 0.00 H new ATOM 0 HA3 GLY A 346 7.368 -1.340 -11.390 1.00 0.00 H new ATOM 843 N ARG A 347 8.139 0.839 -9.397 1.00 0.00 N ATOM 844 CA ARG A 347 9.155 1.442 -8.551 1.00 0.00 C ATOM 845 C ARG A 347 9.108 0.833 -7.149 1.00 0.00 C ATOM 846 O ARG A 347 10.141 0.458 -6.596 1.00 0.00 O ATOM 847 CB ARG A 347 8.960 2.956 -8.449 1.00 0.00 C ATOM 848 CG ARG A 347 9.324 3.646 -9.765 1.00 0.00 C ATOM 849 CD ARG A 347 10.035 4.977 -9.508 1.00 0.00 C ATOM 850 NE ARG A 347 11.301 4.741 -8.779 1.00 0.00 N ATOM 851 CZ ARG A 347 12.310 5.620 -8.723 1.00 0.00 C ATOM 852 NH1 ARG A 347 12.209 6.798 -9.353 1.00 0.00 N ATOM 853 NH2 ARG A 347 13.422 5.322 -8.036 1.00 0.00 N ATOM 0 H ARG A 347 7.514 1.504 -9.853 1.00 0.00 H new ATOM 0 HA ARG A 347 10.126 1.242 -9.005 1.00 0.00 H new ATOM 0 HB2 ARG A 347 7.924 3.176 -8.193 1.00 0.00 H new ATOM 0 HB3 ARG A 347 9.578 3.352 -7.643 1.00 0.00 H new ATOM 0 HG2 ARG A 347 9.967 2.994 -10.356 1.00 0.00 H new ATOM 0 HG3 ARG A 347 8.421 3.819 -10.351 1.00 0.00 H new ATOM 0 HD2 ARG A 347 10.238 5.479 -10.454 1.00 0.00 H new ATOM 0 HD3 ARG A 347 9.390 5.638 -8.929 1.00 0.00 H new ATOM 0 HE ARG A 347 11.412 3.854 -8.289 1.00 0.00 H new ATOM 0 HH11 ARG A 347 11.363 7.026 -9.876 1.00 0.00 H new ATOM 0 HH12 ARG A 347 12.978 7.467 -9.310 1.00 0.00 H new ATOM 0 HH21 ARG A 347 13.500 4.426 -7.556 1.00 0.00 H new ATOM 0 HH22 ARG A 347 14.190 5.992 -7.994 1.00 0.00 H new ATOM 867 N MET A 348 7.899 0.754 -6.613 1.00 0.00 N ATOM 868 CA MET A 348 7.704 0.196 -5.285 1.00 0.00 C ATOM 869 C MET A 348 7.061 -1.190 -5.362 1.00 0.00 C ATOM 870 O MET A 348 6.266 -1.461 -6.260 1.00 0.00 O ATOM 871 CB MET A 348 6.810 1.130 -4.466 1.00 0.00 C ATOM 872 CG MET A 348 6.967 0.864 -2.968 1.00 0.00 C ATOM 873 SD MET A 348 6.229 2.192 -2.031 1.00 0.00 S ATOM 874 CE MET A 348 4.501 1.858 -2.329 1.00 0.00 C ATOM 0 H MET A 348 7.045 1.067 -7.074 1.00 0.00 H new ATOM 0 HA MET A 348 8.678 0.097 -4.805 1.00 0.00 H new ATOM 0 HB2 MET A 348 7.065 2.167 -4.684 1.00 0.00 H new ATOM 0 HB3 MET A 348 5.769 0.990 -4.757 1.00 0.00 H new ATOM 0 HG2 MET A 348 6.494 -0.083 -2.707 1.00 0.00 H new ATOM 0 HG3 MET A 348 8.023 0.773 -2.715 1.00 0.00 H new ATOM 0 HE1 MET A 348 3.901 2.315 -1.542 1.00 0.00 H new ATOM 0 HE2 MET A 348 4.211 2.273 -3.294 1.00 0.00 H new ATOM 0 HE3 MET A 348 4.334 0.781 -2.333 1.00 0.00 H new ATOM 884 N ASN A 349 7.430 -2.031 -4.407 1.00 0.00 N ATOM 885 CA ASN A 349 6.899 -3.383 -4.355 1.00 0.00 C ATOM 886 C ASN A 349 5.968 -3.514 -3.148 1.00 0.00 C ATOM 887 O ASN A 349 6.321 -3.112 -2.040 1.00 0.00 O ATOM 888 CB ASN A 349 8.022 -4.410 -4.200 1.00 0.00 C ATOM 889 CG ASN A 349 7.864 -5.552 -5.206 1.00 0.00 C ATOM 890 OD1 ASN A 349 6.875 -5.658 -5.912 1.00 0.00 O ATOM 891 ND2 ASN A 349 8.890 -6.397 -5.231 1.00 0.00 N ATOM 0 H ASN A 349 8.090 -1.803 -3.663 1.00 0.00 H new ATOM 0 HA ASN A 349 6.364 -3.572 -5.286 1.00 0.00 H new ATOM 0 HB2 ASN A 349 8.987 -3.924 -4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 349 8.016 -4.810 -3.186 1.00 0.00 H new ATOM 0 HD21 ASN A 349 8.880 -7.193 -5.869 1.00 0.00 H new ATOM 0 HD22 ASN A 349 9.687 -6.249 -4.612 1.00 0.00 H new ATOM 898 N GLY A 350 4.797 -4.080 -3.402 1.00 0.00 N ATOM 899 CA GLY A 350 3.813 -4.269 -2.350 1.00 0.00 C ATOM 900 C GLY A 350 2.408 -3.917 -2.844 1.00 0.00 C ATOM 901 O GLY A 350 2.168 -3.850 -4.048 1.00 0.00 O ATOM 0 H GLY A 350 4.508 -4.414 -4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 350 3.834 -5.304 -2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 350 4.068 -3.646 -1.493 1.00 0.00 H new ATOM 905 N PHE A 351 1.517 -3.702 -1.888 1.00 0.00 N ATOM 906 CA PHE A 351 0.142 -3.359 -2.210 1.00 0.00 C ATOM 907 C PHE A 351 -0.441 -2.400 -1.170 1.00 0.00 C ATOM 908 O PHE A 351 -0.031 -2.411 -0.010 1.00 0.00 O ATOM 909 CB PHE A 351 -0.660 -4.661 -2.192 1.00 0.00 C ATOM 910 CG PHE A 351 -1.088 -5.110 -0.793 1.00 0.00 C ATOM 911 CD1 PHE A 351 -2.256 -4.658 -0.262 1.00 0.00 C ATOM 912 CD2 PHE A 351 -0.301 -5.959 -0.081 1.00 0.00 C ATOM 913 CE1 PHE A 351 -2.653 -5.074 1.036 1.00 0.00 C ATOM 914 CE2 PHE A 351 -0.698 -6.375 1.217 1.00 0.00 C ATOM 915 CZ PHE A 351 -1.865 -5.924 1.749 1.00 0.00 C ATOM 0 H PHE A 351 1.720 -3.759 -0.890 1.00 0.00 H new ATOM 0 HA PHE A 351 0.099 -2.868 -3.182 1.00 0.00 H new ATOM 0 HB2 PHE A 351 -1.549 -4.536 -2.810 1.00 0.00 H new ATOM 0 HB3 PHE A 351 -0.062 -5.450 -2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 351 -2.881 -3.983 -0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 351 0.626 -6.317 -0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 351 -3.581 -4.716 1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 351 -0.073 -7.050 1.782 1.00 0.00 H new ATOM 0 HZ PHE A 351 -2.166 -6.240 2.737 1.00 0.00 H new ATOM 925 N ILE A 352 -1.389 -1.592 -1.623 1.00 0.00 N ATOM 926 CA ILE A 352 -2.034 -0.629 -0.746 1.00 0.00 C ATOM 927 C ILE A 352 -3.327 -1.233 -0.195 1.00 0.00 C ATOM 928 O ILE A 352 -4.172 -1.700 -0.957 1.00 0.00 O ATOM 929 CB ILE A 352 -2.236 0.703 -1.471 1.00 0.00 C ATOM 930 CG1 ILE A 352 -0.962 1.549 -1.431 1.00 0.00 C ATOM 931 CG2 ILE A 352 -3.443 1.456 -0.907 1.00 0.00 C ATOM 932 CD1 ILE A 352 -1.140 2.846 -2.222 1.00 0.00 C ATOM 0 H ILE A 352 -1.726 -1.585 -2.586 1.00 0.00 H new ATOM 0 HA ILE A 352 -1.397 -0.406 0.110 1.00 0.00 H new ATOM 0 HB ILE A 352 -2.449 0.493 -2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 352 -0.708 1.782 -0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 352 -0.129 0.979 -1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 352 -3.565 2.399 -1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 352 -4.341 0.850 -1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 352 -3.285 1.655 0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 352 -0.220 3.429 -2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 352 -1.370 2.610 -3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 352 -1.957 3.425 -1.792 1.00 0.00 H new ATOM 944 N ASP A 353 -3.441 -1.203 1.124 1.00 0.00 N ATOM 945 CA ASP A 353 -4.617 -1.741 1.786 1.00 0.00 C ATOM 946 C ASP A 353 -5.651 -0.628 1.965 1.00 0.00 C ATOM 947 O ASP A 353 -5.452 0.287 2.762 1.00 0.00 O ATOM 948 CB ASP A 353 -4.267 -2.288 3.172 1.00 0.00 C ATOM 949 CG ASP A 353 -5.423 -2.969 3.909 1.00 0.00 C ATOM 950 OD1 ASP A 353 -6.482 -3.140 3.268 1.00 0.00 O ATOM 951 OD2 ASP A 353 -5.220 -3.303 5.096 1.00 0.00 O ATOM 0 H ASP A 353 -2.738 -0.814 1.753 1.00 0.00 H new ATOM 0 HA ASP A 353 -5.012 -2.548 1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 353 -3.451 -3.003 3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 353 -3.897 -1.468 3.787 1.00 0.00 H new ATOM 956 N GLN A 354 -6.733 -0.742 1.209 1.00 0.00 N ATOM 957 CA GLN A 354 -7.799 0.243 1.274 1.00 0.00 C ATOM 958 C GLN A 354 -8.719 -0.047 2.461 1.00 0.00 C ATOM 959 O GLN A 354 -9.514 0.803 2.858 1.00 0.00 O ATOM 960 CB GLN A 354 -8.589 0.284 -0.035 1.00 0.00 C ATOM 961 CG GLN A 354 -7.835 1.073 -1.107 1.00 0.00 C ATOM 962 CD GLN A 354 -8.726 2.157 -1.719 1.00 0.00 C ATOM 963 OE1 GLN A 354 -9.883 2.316 -1.368 1.00 0.00 O ATOM 964 NE2 GLN A 354 -8.123 2.890 -2.651 1.00 0.00 N ATOM 0 H GLN A 354 -6.894 -1.502 0.548 1.00 0.00 H new ATOM 0 HA GLN A 354 -7.350 1.225 1.420 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -8.770 -0.732 -0.386 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -9.564 0.740 0.139 1.00 0.00 H new ATOM 0 HG2 GLN A 354 -6.948 1.531 -0.670 1.00 0.00 H new ATOM 0 HG3 GLN A 354 -7.492 0.395 -1.889 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -7.151 2.703 -2.897 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -8.633 3.639 -3.120 1.00 0.00 H new ATOM 973 N ILE A 355 -8.581 -1.252 2.995 1.00 0.00 N ATOM 974 CA ILE A 355 -9.391 -1.666 4.129 1.00 0.00 C ATOM 975 C ILE A 355 -8.953 -0.889 5.372 1.00 0.00 C ATOM 976 O ILE A 355 -9.790 -0.442 6.156 1.00 0.00 O ATOM 977 CB ILE A 355 -9.335 -3.185 4.301 1.00 0.00 C ATOM 978 CG1 ILE A 355 -9.804 -3.898 3.031 1.00 0.00 C ATOM 979 CG2 ILE A 355 -10.128 -3.626 5.533 1.00 0.00 C ATOM 980 CD1 ILE A 355 -9.179 -5.290 2.922 1.00 0.00 C ATOM 0 H ILE A 355 -7.920 -1.955 2.664 1.00 0.00 H new ATOM 0 HA ILE A 355 -10.440 -1.427 3.956 1.00 0.00 H new ATOM 0 HB ILE A 355 -8.297 -3.473 4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 355 -10.891 -3.983 3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 355 -9.536 -3.305 2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 355 -10.072 -4.710 5.633 1.00 0.00 H new ATOM 0 HG22 ILE A 355 -9.708 -3.158 6.423 1.00 0.00 H new ATOM 0 HG23 ILE A 355 -11.170 -3.325 5.422 1.00 0.00 H new ATOM 0 HD11 ILE A 355 -9.529 -5.775 2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 355 -8.093 -5.200 2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 355 -9.469 -5.888 3.786 1.00 0.00 H new ATOM 992 N ASP A 356 -7.643 -0.752 5.515 1.00 0.00 N ATOM 993 CA ASP A 356 -7.084 -0.038 6.650 1.00 0.00 C ATOM 994 C ASP A 356 -6.461 1.273 6.166 1.00 0.00 C ATOM 995 O ASP A 356 -6.164 2.157 6.968 1.00 0.00 O ATOM 996 CB ASP A 356 -5.988 -0.859 7.332 1.00 0.00 C ATOM 997 CG ASP A 356 -6.491 -2.020 8.193 1.00 0.00 C ATOM 998 OD1 ASP A 356 -7.030 -1.727 9.282 1.00 0.00 O ATOM 999 OD2 ASP A 356 -6.324 -3.174 7.742 1.00 0.00 O ATOM 0 H ASP A 356 -6.952 -1.124 4.863 1.00 0.00 H new ATOM 0 HA ASP A 356 -7.889 0.149 7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 356 -5.323 -1.256 6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 356 -5.393 -0.194 7.957 1.00 0.00 H new ATOM 1004 N GLY A 357 -6.282 1.357 4.855 1.00 0.00 N ATOM 1005 CA GLY A 357 -5.699 2.545 4.255 1.00 0.00 C ATOM 1006 C GLY A 357 -4.219 2.675 4.621 1.00 0.00 C ATOM 1007 O GLY A 357 -3.712 3.783 4.783 1.00 0.00 O ATOM 0 H GLY A 357 -6.530 0.622 4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 357 -5.807 2.499 3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 357 -6.240 3.429 4.592 1.00 0.00 H new ATOM 1011 N ILE A 358 -3.569 1.527 4.740 1.00 0.00 N ATOM 1012 CA ILE A 358 -2.157 1.498 5.084 1.00 0.00 C ATOM 1013 C ILE A 358 -1.370 0.859 3.938 1.00 0.00 C ATOM 1014 O ILE A 358 -1.824 -0.112 3.335 1.00 0.00 O ATOM 1015 CB ILE A 358 -1.949 0.809 6.433 1.00 0.00 C ATOM 1016 CG1 ILE A 358 -2.736 1.516 7.538 1.00 0.00 C ATOM 1017 CG2 ILE A 358 -0.460 0.700 6.769 1.00 0.00 C ATOM 1018 CD1 ILE A 358 -2.763 0.675 8.816 1.00 0.00 C ATOM 0 H ILE A 358 -3.994 0.610 4.604 1.00 0.00 H new ATOM 0 HA ILE A 358 -1.774 2.511 5.207 1.00 0.00 H new ATOM 0 HB ILE A 358 -2.338 -0.207 6.361 1.00 0.00 H new ATOM 0 HG12 ILE A 358 -2.285 2.486 7.746 1.00 0.00 H new ATOM 0 HG13 ILE A 358 -3.755 1.704 7.200 1.00 0.00 H new ATOM 0 HG21 ILE A 358 -0.340 0.206 7.733 1.00 0.00 H new ATOM 0 HG22 ILE A 358 0.045 0.118 5.998 1.00 0.00 H new ATOM 0 HG23 ILE A 358 -0.023 1.698 6.815 1.00 0.00 H new ATOM 0 HD11 ILE A 358 -3.329 1.200 9.585 1.00 0.00 H new ATOM 0 HD12 ILE A 358 -3.236 -0.285 8.610 1.00 0.00 H new ATOM 0 HD13 ILE A 358 -1.743 0.510 9.164 1.00 0.00 H new ATOM 1030 N VAL A 359 -0.204 1.430 3.673 1.00 0.00 N ATOM 1031 CA VAL A 359 0.650 0.928 2.610 1.00 0.00 C ATOM 1032 C VAL A 359 1.439 -0.279 3.123 1.00 0.00 C ATOM 1033 O VAL A 359 1.961 -0.255 4.237 1.00 0.00 O ATOM 1034 CB VAL A 359 1.548 2.050 2.086 1.00 0.00 C ATOM 1035 CG1 VAL A 359 0.715 3.172 1.462 1.00 0.00 C ATOM 1036 CG2 VAL A 359 2.454 2.591 3.194 1.00 0.00 C ATOM 0 H VAL A 359 0.169 2.235 4.176 1.00 0.00 H new ATOM 0 HA VAL A 359 0.050 0.589 1.766 1.00 0.00 H new ATOM 0 HB VAL A 359 2.186 1.632 1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 359 1.377 3.957 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 359 0.132 2.774 0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 359 0.041 3.585 2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 359 3.082 3.387 2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 359 1.841 2.984 4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 359 3.085 1.787 3.573 1.00 0.00 H new ATOM 1046 N HIS A 360 1.501 -1.304 2.287 1.00 0.00 N ATOM 1047 CA HIS A 360 2.218 -2.517 2.641 1.00 0.00 C ATOM 1048 C HIS A 360 3.499 -2.618 1.811 1.00 0.00 C ATOM 1049 O HIS A 360 3.443 -2.821 0.599 1.00 0.00 O ATOM 1050 CB HIS A 360 1.316 -3.744 2.492 1.00 0.00 C ATOM 1051 CG HIS A 360 0.784 -4.278 3.801 1.00 0.00 C ATOM 1052 ND1 HIS A 360 1.249 -5.447 4.378 1.00 0.00 N ATOM 1053 CD2 HIS A 360 -0.176 -3.791 4.637 1.00 0.00 C ATOM 1054 CE1 HIS A 360 0.590 -5.645 5.510 1.00 0.00 C ATOM 1055 NE2 HIS A 360 -0.293 -4.618 5.669 1.00 0.00 N ATOM 0 H HIS A 360 1.066 -1.320 1.364 1.00 0.00 H new ATOM 0 HA HIS A 360 2.510 -2.478 3.691 1.00 0.00 H new ATOM 0 HB2 HIS A 360 0.475 -3.488 1.847 1.00 0.00 H new ATOM 0 HB3 HIS A 360 1.874 -4.534 1.989 1.00 0.00 H new ATOM 0 HD2 HIS A 360 -0.745 -2.886 4.486 1.00 0.00 H new ATOM 0 HE1 HIS A 360 0.728 -6.474 6.188 1.00 0.00 H new ATOM 0 HE2 HIS A 360 -0.937 -4.504 6.452 1.00 0.00 H new ATOM 1063 N PHE A 361 4.623 -2.472 2.496 1.00 0.00 N ATOM 1064 CA PHE A 361 5.916 -2.544 1.837 1.00 0.00 C ATOM 1065 C PHE A 361 6.479 -3.966 1.889 1.00 0.00 C ATOM 1066 O PHE A 361 6.120 -4.748 2.767 1.00 0.00 O ATOM 1067 CB PHE A 361 6.858 -1.608 2.596 1.00 0.00 C ATOM 1068 CG PHE A 361 6.465 -0.131 2.516 1.00 0.00 C ATOM 1069 CD1 PHE A 361 5.965 0.378 1.358 1.00 0.00 C ATOM 1070 CD2 PHE A 361 6.616 0.673 3.603 1.00 0.00 C ATOM 1071 CE1 PHE A 361 5.601 1.748 1.284 1.00 0.00 C ATOM 1072 CE2 PHE A 361 6.251 2.043 3.529 1.00 0.00 C ATOM 1073 CZ PHE A 361 5.751 2.552 2.371 1.00 0.00 C ATOM 0 H PHE A 361 4.665 -2.304 3.501 1.00 0.00 H new ATOM 0 HA PHE A 361 5.816 -2.259 0.790 1.00 0.00 H new ATOM 0 HB2 PHE A 361 6.887 -1.909 3.643 1.00 0.00 H new ATOM 0 HB3 PHE A 361 7.867 -1.727 2.202 1.00 0.00 H new ATOM 0 HD1 PHE A 361 5.845 -0.260 0.495 1.00 0.00 H new ATOM 0 HD2 PHE A 361 7.014 0.269 4.522 1.00 0.00 H new ATOM 0 HE1 PHE A 361 5.205 2.152 0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 361 6.370 2.681 4.392 1.00 0.00 H new ATOM 0 HZ PHE A 361 5.473 3.594 2.315 1.00 0.00 H new ATOM 1083 N GLU A 362 7.353 -4.257 0.936 1.00 0.00 N ATOM 1084 CA GLU A 362 7.969 -5.571 0.861 1.00 0.00 C ATOM 1085 C GLU A 362 9.124 -5.672 1.859 1.00 0.00 C ATOM 1086 O GLU A 362 9.895 -4.727 2.021 1.00 0.00 O ATOM 1087 CB GLU A 362 8.445 -5.873 -0.561 1.00 0.00 C ATOM 1088 CG GLU A 362 9.837 -5.289 -0.809 1.00 0.00 C ATOM 1089 CD GLU A 362 9.876 -3.799 -0.463 1.00 0.00 C ATOM 1090 OE1 GLU A 362 8.859 -3.126 -0.737 1.00 0.00 O ATOM 1091 OE2 GLU A 362 10.922 -3.367 0.068 1.00 0.00 O ATOM 0 H GLU A 362 7.649 -3.605 0.209 1.00 0.00 H new ATOM 0 HA GLU A 362 7.220 -6.318 1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 362 8.465 -6.951 -0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 362 7.739 -5.458 -1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 362 10.572 -5.825 -0.209 1.00 0.00 H new ATOM 0 HG3 GLU A 362 10.114 -5.431 -1.854 1.00 0.00 H new