USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 496 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 341 CYS SG : rot -111:sc= -0.264 USER MOD Set 1.2: A 346 CYS SG : rot -68:sc= 1.79 USER MOD Set 1.3: A 348 THR OG1 : rot 162:sc= 1.43 USER MOD Set 1.4: A 385 CYS SG : rot -64:sc= -2.6! USER MOD Set 1.5: A 388 HIS : no HD1:sc= -0.673 K(o=-0.32,f=-5) USER MOD Set 2.1: A 362 MET CE :methyl -163:sc= 0 (180deg=-0.315) USER MOD Set 2.2: A 364 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 353 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 357 LYS NZ :NH3+ -176:sc=-0.00287 (180deg=-0.0506) USER MOD Set 4.1: A 327 CYS SG : rot 178:sc= -0.294 USER MOD Set 4.2: A 330 CYS SG : rot 52:sc= 0.0556! USER MOD Set 4.3: A 351 HIS : no HD1:sc= 0.329 K(o=-1.8,f=-8.2!) USER MOD Set 4.4: A 354 CYS SG : rot 165:sc= -1.85! USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 328 TYR OH : rot 180:sc= 0 USER MOD Single : A 331 LYS NZ :NH3+ -166:sc= -0.0188 (180deg=-0.227) USER MOD Single : A 332 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 333 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 338 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 340 GLN : amide:sc= -1.4 K(o=-1.4,f=-4.6!) USER MOD Single : A 342 HIS : no HE2:sc= -2! C(o=-2!,f=-3.6!) USER MOD Single : A 343 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0532) USER MOD Single : A 345 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 347 TYR OH : rot 180:sc= 0 USER MOD Single : A 356 GLN : amide:sc= -0.0695 X(o=-0.069,f=0) USER MOD Single : A 361 TYR OH : rot 180:sc= -0.614 USER MOD Single : A 363 LYS NZ :NH3+ -155:sc= 1.28 (180deg=1.24) USER MOD Single : A 368 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 180:sc= 0 USER MOD Single : A 375 THR OG1 : rot 180:sc= -0.071 USER MOD Single : A 376 THR OG1 : rot 134:sc= -3.16! USER MOD Single : A 378 SER OG : rot 142:sc= 1.27 USER MOD Single : A 381 LYS NZ :NH3+ -119:sc= -0.32 (180deg=-1.92!) USER MOD Single : A 382 THR OG1 : rot 180:sc= 0 USER MOD Single : A 384 TYR OH : rot 180:sc=-0.000786 USER MOD Single : A 389 THR OG1 : rot 3:sc= 0.568 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 325 -1.290 9.360 -6.396 1.00 0.00 N ATOM 160 CA LEU A 325 -0.836 7.979 -6.574 1.00 0.00 C ATOM 161 C LEU A 325 -2.035 7.064 -6.813 1.00 0.00 C ATOM 162 O LEU A 325 -2.481 6.342 -5.919 1.00 0.00 O ATOM 163 CB LEU A 325 -0.015 7.495 -5.366 1.00 0.00 C ATOM 164 CG LEU A 325 1.062 8.467 -4.874 1.00 0.00 C ATOM 165 CD1 LEU A 325 1.803 7.874 -3.686 1.00 0.00 C ATOM 166 CD2 LEU A 325 2.034 8.807 -5.994 1.00 0.00 C ATOM 0 HA LEU A 325 -0.183 7.945 -7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -0.698 7.289 -4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 325 0.463 6.551 -5.627 1.00 0.00 H new ATOM 0 HG LEU A 325 0.575 9.389 -4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 325 2.566 8.575 -3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 325 1.099 7.683 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 325 2.277 6.938 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 325 2.790 9.498 -5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 325 2.517 7.895 -6.345 1.00 0.00 H new ATOM 0 HD23 LEU A 325 1.492 9.271 -6.818 1.00 0.00 H new ATOM 178 N THR A 326 -2.571 7.128 -8.022 1.00 0.00 N ATOM 179 CA THR A 326 -3.776 6.396 -8.365 1.00 0.00 C ATOM 180 C THR A 326 -3.484 4.913 -8.567 1.00 0.00 C ATOM 181 O THR A 326 -2.542 4.539 -9.264 1.00 0.00 O ATOM 182 CB THR A 326 -4.429 6.972 -9.635 1.00 0.00 C ATOM 183 OG1 THR A 326 -4.547 8.397 -9.509 1.00 0.00 O ATOM 184 CG2 THR A 326 -5.809 6.368 -9.870 1.00 0.00 C ATOM 0 H THR A 326 -2.186 7.684 -8.785 1.00 0.00 H new ATOM 0 HA THR A 326 -4.468 6.505 -7.530 1.00 0.00 H new ATOM 0 HB THR A 326 -3.796 6.722 -10.487 1.00 0.00 H new ATOM 0 HG1 THR A 326 -4.961 8.764 -10.318 1.00 0.00 H new ATOM 0 HG21 THR A 326 -6.244 6.795 -10.774 1.00 0.00 H new ATOM 0 HG22 THR A 326 -5.719 5.288 -9.986 1.00 0.00 H new ATOM 0 HG23 THR A 326 -6.453 6.589 -9.018 1.00 0.00 H new ATOM 192 N CYS A 327 -4.315 4.082 -7.962 1.00 0.00 N ATOM 193 CA CYS A 327 -4.185 2.638 -8.059 1.00 0.00 C ATOM 194 C CYS A 327 -4.764 2.164 -9.383 1.00 0.00 C ATOM 195 O CYS A 327 -5.975 2.234 -9.586 1.00 0.00 O ATOM 196 CB CYS A 327 -4.921 1.988 -6.875 1.00 0.00 C ATOM 197 SG CYS A 327 -5.063 0.177 -6.925 1.00 0.00 S ATOM 0 H CYS A 327 -5.100 4.390 -7.389 1.00 0.00 H new ATOM 0 HA CYS A 327 -3.134 2.351 -8.021 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -4.407 2.267 -5.955 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -5.924 2.410 -6.820 1.00 0.00 H new ATOM 0 HG CYS A 327 -5.655 -0.242 -5.846 1.00 0.00 H new ATOM 202 N TYR A 328 -3.905 1.693 -10.289 1.00 0.00 N ATOM 203 CA TYR A 328 -4.355 1.308 -11.623 1.00 0.00 C ATOM 204 C TYR A 328 -5.231 0.063 -11.546 1.00 0.00 C ATOM 205 O TYR A 328 -6.103 -0.151 -12.386 1.00 0.00 O ATOM 206 CB TYR A 328 -3.168 1.091 -12.574 1.00 0.00 C ATOM 207 CG TYR A 328 -2.337 -0.138 -12.285 1.00 0.00 C ATOM 208 CD1 TYR A 328 -1.360 -0.128 -11.300 1.00 0.00 C ATOM 209 CD2 TYR A 328 -2.523 -1.304 -13.011 1.00 0.00 C ATOM 210 CE1 TYR A 328 -0.593 -1.248 -11.045 1.00 0.00 C ATOM 211 CE2 TYR A 328 -1.764 -2.427 -12.762 1.00 0.00 C ATOM 212 CZ TYR A 328 -0.798 -2.397 -11.780 1.00 0.00 C ATOM 213 OH TYR A 328 -0.039 -3.521 -11.535 1.00 0.00 O ATOM 0 H TYR A 328 -2.906 1.571 -10.124 1.00 0.00 H new ATOM 0 HA TYR A 328 -4.951 2.125 -12.030 1.00 0.00 H new ATOM 0 HB2 TYR A 328 -3.546 1.024 -13.594 1.00 0.00 H new ATOM 0 HB3 TYR A 328 -2.521 1.967 -12.530 1.00 0.00 H new ATOM 0 HD1 TYR A 328 -1.197 0.770 -10.723 1.00 0.00 H new ATOM 0 HD2 TYR A 328 -3.276 -1.333 -13.785 1.00 0.00 H new ATOM 0 HE1 TYR A 328 0.163 -1.224 -10.274 1.00 0.00 H new ATOM 0 HE2 TYR A 328 -1.926 -3.328 -13.335 1.00 0.00 H new ATOM 0 HH TYR A 328 -0.314 -4.240 -12.141 1.00 0.00 H new ATOM 223 N LEU A 329 -5.002 -0.746 -10.522 1.00 0.00 N ATOM 224 CA LEU A 329 -5.879 -1.866 -10.224 1.00 0.00 C ATOM 225 C LEU A 329 -7.002 -1.392 -9.305 1.00 0.00 C ATOM 226 O LEU A 329 -7.123 -1.869 -8.171 1.00 0.00 O ATOM 227 CB LEU A 329 -5.098 -3.005 -9.561 1.00 0.00 C ATOM 228 CG LEU A 329 -4.030 -3.674 -10.431 1.00 0.00 C ATOM 229 CD1 LEU A 329 -3.250 -4.698 -9.622 1.00 0.00 C ATOM 230 CD2 LEU A 329 -4.665 -4.336 -11.645 1.00 0.00 C ATOM 0 H LEU A 329 -4.214 -0.646 -9.883 1.00 0.00 H new ATOM 0 HA LEU A 329 -6.302 -2.245 -11.154 1.00 0.00 H new ATOM 0 HB2 LEU A 329 -4.617 -2.617 -8.663 1.00 0.00 H new ATOM 0 HB3 LEU A 329 -5.807 -3.767 -9.239 1.00 0.00 H new ATOM 0 HG LEU A 329 -3.340 -2.904 -10.778 1.00 0.00 H new ATOM 0 HD11 LEU A 329 -2.495 -5.164 -10.256 1.00 0.00 H new ATOM 0 HD12 LEU A 329 -2.763 -4.203 -8.781 1.00 0.00 H new ATOM 0 HD13 LEU A 329 -3.932 -5.462 -9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 329 -3.890 -4.806 -12.250 1.00 0.00 H new ATOM 0 HD22 LEU A 329 -5.377 -5.093 -11.316 1.00 0.00 H new ATOM 0 HD23 LEU A 329 -5.184 -3.584 -12.240 1.00 0.00 H new ATOM 242 N CYS A 330 -7.769 -0.413 -9.800 1.00 0.00 N ATOM 243 CA CYS A 330 -8.884 0.206 -9.073 1.00 0.00 C ATOM 244 C CYS A 330 -9.464 1.365 -9.872 1.00 0.00 C ATOM 245 O CYS A 330 -10.668 1.418 -10.117 1.00 0.00 O ATOM 246 CB CYS A 330 -8.449 0.758 -7.710 1.00 0.00 C ATOM 247 SG CYS A 330 -8.544 -0.420 -6.347 1.00 0.00 S ATOM 0 H CYS A 330 -7.630 -0.022 -10.732 1.00 0.00 H new ATOM 0 HA CYS A 330 -9.627 -0.578 -8.926 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -7.423 1.116 -7.790 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -9.070 1.621 -7.469 1.00 0.00 H new ATOM 0 HG CYS A 330 -7.913 -1.510 -6.671 1.00 0.00 H new ATOM 252 N LYS A 331 -8.577 2.301 -10.242 1.00 0.00 N ATOM 253 CA LYS A 331 -8.953 3.571 -10.856 1.00 0.00 C ATOM 254 C LYS A 331 -9.603 4.451 -9.804 1.00 0.00 C ATOM 255 O LYS A 331 -10.368 5.367 -10.101 1.00 0.00 O ATOM 256 CB LYS A 331 -9.855 3.379 -12.079 1.00 0.00 C ATOM 257 CG LYS A 331 -9.107 2.852 -13.291 1.00 0.00 C ATOM 258 CD LYS A 331 -10.009 2.744 -14.506 1.00 0.00 C ATOM 259 CE LYS A 331 -9.222 2.335 -15.741 1.00 0.00 C ATOM 260 NZ LYS A 331 -8.249 3.382 -16.159 1.00 0.00 N ATOM 0 H LYS A 331 -7.570 2.191 -10.120 1.00 0.00 H new ATOM 0 HA LYS A 331 -8.054 4.063 -11.229 1.00 0.00 H new ATOM 0 HB2 LYS A 331 -10.659 2.687 -11.826 1.00 0.00 H new ATOM 0 HB3 LYS A 331 -10.322 4.331 -12.332 1.00 0.00 H new ATOM 0 HG2 LYS A 331 -8.270 3.513 -13.517 1.00 0.00 H new ATOM 0 HG3 LYS A 331 -8.687 1.873 -13.062 1.00 0.00 H new ATOM 0 HD2 LYS A 331 -10.795 2.014 -14.315 1.00 0.00 H new ATOM 0 HD3 LYS A 331 -10.499 3.701 -14.684 1.00 0.00 H new ATOM 0 HE2 LYS A 331 -8.689 1.406 -15.539 1.00 0.00 H new ATOM 0 HE3 LYS A 331 -9.913 2.135 -16.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 -7.909 3.176 -17.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 -8.714 4.312 -16.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 -7.443 3.390 -15.501 1.00 0.00 H new ATOM 274 N GLN A 332 -9.248 4.163 -8.560 1.00 0.00 N ATOM 275 CA GLN A 332 -9.747 4.893 -7.421 1.00 0.00 C ATOM 276 C GLN A 332 -8.592 5.329 -6.534 1.00 0.00 C ATOM 277 O GLN A 332 -7.909 4.498 -5.923 1.00 0.00 O ATOM 278 CB GLN A 332 -10.722 4.043 -6.605 1.00 0.00 C ATOM 279 CG GLN A 332 -11.966 3.619 -7.365 1.00 0.00 C ATOM 280 CD GLN A 332 -12.966 2.896 -6.484 1.00 0.00 C ATOM 281 OE1 GLN A 332 -12.477 2.177 -5.486 1.00 0.00 O flip ATOM 282 NE2 GLN A 332 -14.173 2.983 -6.704 1.00 0.00 N flip ATOM 0 H GLN A 332 -8.602 3.411 -8.319 1.00 0.00 H new ATOM 0 HA GLN A 332 -10.277 5.770 -7.791 1.00 0.00 H new ATOM 0 HB2 GLN A 332 -10.203 3.151 -6.254 1.00 0.00 H new ATOM 0 HB3 GLN A 332 -11.024 4.605 -5.721 1.00 0.00 H new ATOM 0 HG2 GLN A 332 -12.440 4.499 -7.800 1.00 0.00 H new ATOM 0 HG3 GLN A 332 -11.679 2.970 -8.192 1.00 0.00 H new ATOM 0 HE21 GLN A 332 -14.510 3.548 -7.484 1.00 0.00 H new ATOM 0 HE22 GLN A 332 -14.837 2.490 -6.107 1.00 0.00 H new ATOM 291 N LYS A 333 -8.359 6.625 -6.493 1.00 0.00 N ATOM 292 CA LYS A 333 -7.355 7.198 -5.613 1.00 0.00 C ATOM 293 C LYS A 333 -7.934 7.398 -4.215 1.00 0.00 C ATOM 294 O LYS A 333 -9.082 7.813 -4.066 1.00 0.00 O ATOM 295 CB LYS A 333 -6.852 8.536 -6.167 1.00 0.00 C ATOM 296 CG LYS A 333 -7.962 9.548 -6.418 1.00 0.00 C ATOM 297 CD LYS A 333 -7.412 10.926 -6.758 1.00 0.00 C ATOM 298 CE LYS A 333 -6.516 10.891 -7.986 1.00 0.00 C ATOM 299 NZ LYS A 333 -6.123 12.256 -8.427 1.00 0.00 N ATOM 0 H LYS A 333 -8.856 7.309 -7.064 1.00 0.00 H new ATOM 0 HA LYS A 333 -6.514 6.507 -5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 333 -6.134 8.963 -5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 333 -6.318 8.356 -7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 333 -8.593 9.198 -7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 333 -8.595 9.619 -5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 333 -8.239 11.614 -6.931 1.00 0.00 H new ATOM 0 HD3 LYS A 333 -6.849 11.312 -5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 333 -5.621 10.309 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 333 -7.034 10.382 -8.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 333 -5.513 12.187 -9.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 333 -6.975 12.804 -8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 333 -5.606 12.733 -7.661 1.00 0.00 H new ATOM 313 N GLY A 334 -7.137 7.093 -3.201 1.00 0.00 N ATOM 314 CA GLY A 334 -7.574 7.283 -1.830 1.00 0.00 C ATOM 315 C GLY A 334 -8.665 6.317 -1.410 1.00 0.00 C ATOM 316 O GLY A 334 -9.837 6.682 -1.347 1.00 0.00 O ATOM 0 H GLY A 334 -6.194 6.717 -3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 334 -6.719 7.167 -1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 334 -7.936 8.304 -1.709 1.00 0.00 H new ATOM 320 N VAL A 335 -8.280 5.084 -1.116 1.00 0.00 N ATOM 321 CA VAL A 335 -9.224 4.084 -0.625 1.00 0.00 C ATOM 322 C VAL A 335 -8.648 3.423 0.621 1.00 0.00 C ATOM 323 O VAL A 335 -9.096 3.679 1.736 1.00 0.00 O ATOM 324 CB VAL A 335 -9.539 2.999 -1.683 1.00 0.00 C ATOM 325 CG1 VAL A 335 -10.578 2.020 -1.156 1.00 0.00 C ATOM 326 CG2 VAL A 335 -10.015 3.627 -2.985 1.00 0.00 C ATOM 0 H VAL A 335 -7.321 4.749 -1.208 1.00 0.00 H new ATOM 0 HA VAL A 335 -10.158 4.596 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 335 -8.618 2.452 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -10.785 1.266 -1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -10.198 1.535 -0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -11.496 2.557 -0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 335 -10.229 2.842 -3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 335 -10.919 4.207 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 335 -9.238 4.282 -3.378 1.00 0.00 H new ATOM 336 N GLY A 336 -7.642 2.587 0.418 1.00 0.00 N ATOM 337 CA GLY A 336 -6.911 2.015 1.527 1.00 0.00 C ATOM 338 C GLY A 336 -5.489 2.530 1.560 1.00 0.00 C ATOM 339 O GLY A 336 -5.268 3.739 1.582 1.00 0.00 O ATOM 0 H GLY A 336 -7.317 2.293 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -7.412 2.260 2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -6.906 0.928 1.443 1.00 0.00 H new ATOM 343 N ALA A 337 -4.525 1.625 1.524 1.00 0.00 N ATOM 344 CA ALA A 337 -3.123 2.006 1.537 1.00 0.00 C ATOM 345 C ALA A 337 -2.531 1.906 0.136 1.00 0.00 C ATOM 346 O ALA A 337 -2.723 0.904 -0.560 1.00 0.00 O ATOM 347 CB ALA A 337 -2.349 1.136 2.513 1.00 0.00 C ATOM 0 H ALA A 337 -4.689 0.619 1.485 1.00 0.00 H new ATOM 0 HA ALA A 337 -3.046 3.042 1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 337 -1.300 1.433 2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 337 -2.760 1.259 3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 337 -2.431 0.091 2.213 1.00 0.00 H new ATOM 353 N SER A 338 -1.829 2.948 -0.278 1.00 0.00 N ATOM 354 CA SER A 338 -1.244 2.995 -1.606 1.00 0.00 C ATOM 355 C SER A 338 0.248 2.663 -1.568 1.00 0.00 C ATOM 356 O SER A 338 0.971 3.067 -0.652 1.00 0.00 O ATOM 357 CB SER A 338 -1.477 4.376 -2.224 1.00 0.00 C ATOM 358 OG SER A 338 -1.264 5.408 -1.272 1.00 0.00 O ATOM 0 H SER A 338 -1.650 3.776 0.290 1.00 0.00 H new ATOM 0 HA SER A 338 -1.730 2.241 -2.225 1.00 0.00 H new ATOM 0 HB2 SER A 338 -0.806 4.516 -3.072 1.00 0.00 H new ATOM 0 HB3 SER A 338 -2.495 4.438 -2.609 1.00 0.00 H new ATOM 0 HG SER A 338 -1.418 6.279 -1.694 1.00 0.00 H new ATOM 364 N ILE A 339 0.689 1.907 -2.561 1.00 0.00 N ATOM 365 CA ILE A 339 2.089 1.559 -2.717 1.00 0.00 C ATOM 366 C ILE A 339 2.416 1.512 -4.206 1.00 0.00 C ATOM 367 O ILE A 339 1.577 1.115 -5.015 1.00 0.00 O ATOM 368 CB ILE A 339 2.421 0.203 -2.039 1.00 0.00 C ATOM 369 CG1 ILE A 339 3.917 -0.104 -2.148 1.00 0.00 C ATOM 370 CG2 ILE A 339 1.593 -0.924 -2.646 1.00 0.00 C ATOM 371 CD1 ILE A 339 4.327 -1.381 -1.446 1.00 0.00 C ATOM 0 H ILE A 339 0.083 1.517 -3.283 1.00 0.00 H new ATOM 0 HA ILE A 339 2.700 2.316 -2.225 1.00 0.00 H new ATOM 0 HB ILE A 339 2.164 0.280 -0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 339 4.189 -0.175 -3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 339 4.482 0.729 -1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 339 1.843 -1.864 -2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 339 0.533 -0.712 -2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 339 1.810 -1.002 -3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 339 5.400 -1.534 -1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 339 4.087 -1.306 -0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 339 3.790 -2.224 -1.881 1.00 0.00 H new ATOM 383 N GLN A 340 3.609 1.938 -4.578 1.00 0.00 N ATOM 384 CA GLN A 340 3.955 2.037 -5.978 1.00 0.00 C ATOM 385 C GLN A 340 5.273 1.354 -6.284 1.00 0.00 C ATOM 386 O GLN A 340 6.227 1.406 -5.505 1.00 0.00 O ATOM 387 CB GLN A 340 3.983 3.497 -6.439 1.00 0.00 C ATOM 388 CG GLN A 340 4.458 4.483 -5.389 1.00 0.00 C ATOM 389 CD GLN A 340 4.485 5.882 -5.894 1.00 0.00 C ATOM 390 OE1 GLN A 340 3.853 6.220 -6.890 1.00 0.00 O ATOM 391 NE2 GLN A 340 5.138 6.727 -5.150 1.00 0.00 N ATOM 0 H GLN A 340 4.348 2.218 -3.933 1.00 0.00 H new ATOM 0 HA GLN A 340 3.177 1.516 -6.536 1.00 0.00 H new ATOM 0 HB2 GLN A 340 4.631 3.576 -7.312 1.00 0.00 H new ATOM 0 HB3 GLN A 340 2.981 3.782 -6.759 1.00 0.00 H new ATOM 0 HG2 GLN A 340 3.803 4.426 -4.519 1.00 0.00 H new ATOM 0 HG3 GLN A 340 5.457 4.201 -5.055 1.00 0.00 H new ATOM 0 HE21 GLN A 340 5.649 6.397 -4.331 1.00 0.00 H new ATOM 0 HE22 GLN A 340 5.139 7.719 -5.386 1.00 0.00 H new ATOM 400 N CYS A 341 5.286 0.705 -7.431 1.00 0.00 N ATOM 401 CA CYS A 341 6.450 -0.001 -7.937 1.00 0.00 C ATOM 402 C CYS A 341 7.594 0.952 -8.222 1.00 0.00 C ATOM 403 O CYS A 341 7.382 2.116 -8.568 1.00 0.00 O ATOM 404 CB CYS A 341 6.080 -0.743 -9.218 1.00 0.00 C ATOM 405 SG CYS A 341 7.482 -1.482 -10.103 1.00 0.00 S ATOM 0 H CYS A 341 4.476 0.651 -8.049 1.00 0.00 H new ATOM 0 HA CYS A 341 6.775 -0.708 -7.173 1.00 0.00 H new ATOM 0 HB2 CYS A 341 5.368 -1.531 -8.972 1.00 0.00 H new ATOM 0 HB3 CYS A 341 5.570 -0.050 -9.888 1.00 0.00 H new ATOM 0 HG CYS A 341 7.679 -0.840 -11.216 1.00 0.00 H new ATOM 410 N HIS A 342 8.805 0.432 -8.115 1.00 0.00 N ATOM 411 CA HIS A 342 9.994 1.218 -8.383 1.00 0.00 C ATOM 412 C HIS A 342 11.128 0.311 -8.846 1.00 0.00 C ATOM 413 O HIS A 342 10.902 -0.848 -9.168 1.00 0.00 O ATOM 414 CB HIS A 342 10.417 2.031 -7.143 1.00 0.00 C ATOM 415 CG HIS A 342 10.960 1.216 -6.000 1.00 0.00 C ATOM 416 ND1 HIS A 342 12.262 1.322 -5.560 1.00 0.00 N ATOM 417 CD2 HIS A 342 10.367 0.311 -5.188 1.00 0.00 C ATOM 418 CE1 HIS A 342 12.446 0.521 -4.531 1.00 0.00 C ATOM 419 NE2 HIS A 342 11.311 -0.105 -4.280 1.00 0.00 N ATOM 0 H HIS A 342 8.989 -0.534 -7.844 1.00 0.00 H new ATOM 0 HA HIS A 342 9.763 1.926 -9.179 1.00 0.00 H new ATOM 0 HB2 HIS A 342 11.174 2.756 -7.444 1.00 0.00 H new ATOM 0 HB3 HIS A 342 9.556 2.598 -6.788 1.00 0.00 H new ATOM 0 HD1 HIS A 342 12.974 1.928 -5.969 1.00 0.00 H new ATOM 0 HD2 HIS A 342 9.341 -0.023 -5.243 1.00 0.00 H new ATOM 0 HE1 HIS A 342 13.369 0.397 -3.985 1.00 0.00 H new ATOM 428 N LYS A 343 12.318 0.881 -8.887 1.00 0.00 N ATOM 429 CA LYS A 343 13.564 0.200 -9.233 1.00 0.00 C ATOM 430 C LYS A 343 14.621 1.272 -9.471 1.00 0.00 C ATOM 431 O LYS A 343 15.555 1.436 -8.685 1.00 0.00 O ATOM 432 CB LYS A 343 13.420 -0.681 -10.485 1.00 0.00 C ATOM 433 CG LYS A 343 14.710 -1.376 -10.899 1.00 0.00 C ATOM 434 CD LYS A 343 15.173 -2.379 -9.849 1.00 0.00 C ATOM 435 CE LYS A 343 16.542 -2.948 -10.189 1.00 0.00 C ATOM 436 NZ LYS A 343 16.537 -3.696 -11.473 1.00 0.00 N ATOM 0 H LYS A 343 12.455 1.869 -8.673 1.00 0.00 H new ATOM 0 HA LYS A 343 13.845 -0.464 -8.416 1.00 0.00 H new ATOM 0 HB2 LYS A 343 12.655 -1.435 -10.301 1.00 0.00 H new ATOM 0 HB3 LYS A 343 13.068 -0.065 -11.313 1.00 0.00 H new ATOM 0 HG2 LYS A 343 14.559 -1.888 -11.849 1.00 0.00 H new ATOM 0 HG3 LYS A 343 15.489 -0.631 -11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 343 15.211 -1.895 -8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 343 14.449 -3.190 -9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 343 17.267 -2.136 -10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 343 16.868 -3.610 -9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 343 17.462 -4.150 -11.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 343 15.794 -4.423 -11.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 343 16.352 -3.038 -12.257 1.00 0.00 H new ATOM 450 N ALA A 344 14.448 1.998 -10.565 1.00 0.00 N ATOM 451 CA ALA A 344 15.180 3.230 -10.811 1.00 0.00 C ATOM 452 C ALA A 344 14.187 4.332 -11.154 1.00 0.00 C ATOM 453 O ALA A 344 14.285 5.458 -10.668 1.00 0.00 O ATOM 454 CB ALA A 344 16.190 3.049 -11.931 1.00 0.00 C ATOM 0 H ALA A 344 13.795 1.749 -11.308 1.00 0.00 H new ATOM 0 HA ALA A 344 15.735 3.504 -9.914 1.00 0.00 H new ATOM 0 HB1 ALA A 344 16.724 3.985 -12.095 1.00 0.00 H new ATOM 0 HB2 ALA A 344 16.901 2.269 -11.657 1.00 0.00 H new ATOM 0 HB3 ALA A 344 15.671 2.762 -12.846 1.00 0.00 H new ATOM 460 N ASN A 345 13.226 3.983 -12.001 1.00 0.00 N ATOM 461 CA ASN A 345 12.095 4.850 -12.310 1.00 0.00 C ATOM 462 C ASN A 345 10.932 3.980 -12.773 1.00 0.00 C ATOM 463 O ASN A 345 11.155 2.936 -13.386 1.00 0.00 O ATOM 464 CB ASN A 345 12.455 5.885 -13.391 1.00 0.00 C ATOM 465 CG ASN A 345 12.615 5.280 -14.776 1.00 0.00 C ATOM 466 OD1 ASN A 345 11.655 5.196 -15.541 1.00 0.00 O ATOM 467 ND2 ASN A 345 13.829 4.874 -15.113 1.00 0.00 N ATOM 0 H ASN A 345 13.209 3.090 -12.494 1.00 0.00 H new ATOM 0 HA ASN A 345 11.817 5.406 -11.415 1.00 0.00 H new ATOM 0 HB2 ASN A 345 11.679 6.650 -13.424 1.00 0.00 H new ATOM 0 HB3 ASN A 345 13.383 6.384 -13.111 1.00 0.00 H new ATOM 0 HD21 ASN A 345 13.995 4.474 -16.036 1.00 0.00 H new ATOM 0 HD22 ASN A 345 14.599 4.961 -14.449 1.00 0.00 H new ATOM 474 N CYS A 346 9.702 4.378 -12.456 1.00 0.00 N ATOM 475 CA CYS A 346 8.542 3.573 -12.823 1.00 0.00 C ATOM 476 C CYS A 346 7.226 4.309 -12.552 1.00 0.00 C ATOM 477 O CYS A 346 6.492 4.639 -13.484 1.00 0.00 O ATOM 478 CB CYS A 346 8.572 2.254 -12.045 1.00 0.00 C ATOM 479 SG CYS A 346 7.456 0.985 -12.680 1.00 0.00 S ATOM 0 H CYS A 346 9.485 5.239 -11.954 1.00 0.00 H new ATOM 0 HA CYS A 346 8.593 3.377 -13.894 1.00 0.00 H new ATOM 0 HB2 CYS A 346 9.590 1.863 -12.056 1.00 0.00 H new ATOM 0 HB3 CYS A 346 8.319 2.455 -11.004 1.00 0.00 H new ATOM 0 HG CYS A 346 6.225 1.352 -12.483 1.00 0.00 H new ATOM 484 N TYR A 347 6.940 4.558 -11.272 1.00 0.00 N ATOM 485 CA TYR A 347 5.682 5.183 -10.849 1.00 0.00 C ATOM 486 C TYR A 347 4.468 4.345 -11.280 1.00 0.00 C ATOM 487 O TYR A 347 3.652 4.757 -12.105 1.00 0.00 O ATOM 488 CB TYR A 347 5.579 6.625 -11.381 1.00 0.00 C ATOM 489 CG TYR A 347 4.264 7.311 -11.069 1.00 0.00 C ATOM 490 CD1 TYR A 347 3.658 7.167 -9.829 1.00 0.00 C ATOM 491 CD2 TYR A 347 3.629 8.094 -12.023 1.00 0.00 C ATOM 492 CE1 TYR A 347 2.453 7.786 -9.547 1.00 0.00 C ATOM 493 CE2 TYR A 347 2.425 8.715 -11.748 1.00 0.00 C ATOM 494 CZ TYR A 347 1.840 8.558 -10.511 1.00 0.00 C ATOM 495 OH TYR A 347 0.638 9.176 -10.239 1.00 0.00 O ATOM 0 H TYR A 347 7.570 4.334 -10.502 1.00 0.00 H new ATOM 0 HA TYR A 347 5.681 5.225 -9.760 1.00 0.00 H new ATOM 0 HB2 TYR A 347 6.393 7.215 -10.959 1.00 0.00 H new ATOM 0 HB3 TYR A 347 5.722 6.613 -12.462 1.00 0.00 H new ATOM 0 HD1 TYR A 347 4.135 6.562 -9.072 1.00 0.00 H new ATOM 0 HD2 TYR A 347 4.082 8.220 -12.995 1.00 0.00 H new ATOM 0 HE1 TYR A 347 1.995 7.665 -8.576 1.00 0.00 H new ATOM 0 HE2 TYR A 347 1.944 9.322 -12.501 1.00 0.00 H new ATOM 0 HH TYR A 347 0.345 9.682 -11.026 1.00 0.00 H new ATOM 505 N THR A 348 4.392 3.133 -10.765 1.00 0.00 N ATOM 506 CA THR A 348 3.198 2.316 -10.928 1.00 0.00 C ATOM 507 C THR A 348 2.487 2.194 -9.589 1.00 0.00 C ATOM 508 O THR A 348 2.945 1.455 -8.721 1.00 0.00 O ATOM 509 CB THR A 348 3.527 0.904 -11.449 1.00 0.00 C ATOM 510 OG1 THR A 348 4.631 0.951 -12.361 1.00 0.00 O ATOM 511 CG2 THR A 348 2.321 0.303 -12.153 1.00 0.00 C ATOM 0 H THR A 348 5.140 2.690 -10.231 1.00 0.00 H new ATOM 0 HA THR A 348 2.561 2.806 -11.664 1.00 0.00 H new ATOM 0 HB THR A 348 3.792 0.282 -10.594 1.00 0.00 H new ATOM 0 HG1 THR A 348 5.017 0.055 -12.454 1.00 0.00 H new ATOM 0 HG21 THR A 348 2.571 -0.694 -12.515 1.00 0.00 H new ATOM 0 HG22 THR A 348 1.487 0.237 -11.454 1.00 0.00 H new ATOM 0 HG23 THR A 348 2.039 0.935 -12.995 1.00 0.00 H new ATOM 519 N ALA A 349 1.380 2.897 -9.416 1.00 0.00 N ATOM 520 CA ALA A 349 0.738 2.957 -8.112 1.00 0.00 C ATOM 521 C ALA A 349 -0.450 2.008 -8.020 1.00 0.00 C ATOM 522 O ALA A 349 -1.271 1.917 -8.937 1.00 0.00 O ATOM 523 CB ALA A 349 0.311 4.382 -7.801 1.00 0.00 C ATOM 0 H ALA A 349 0.912 3.428 -10.151 1.00 0.00 H new ATOM 0 HA ALA A 349 1.467 2.635 -7.369 1.00 0.00 H new ATOM 0 HB1 ALA A 349 -0.168 4.413 -6.822 1.00 0.00 H new ATOM 0 HB2 ALA A 349 1.186 5.032 -7.797 1.00 0.00 H new ATOM 0 HB3 ALA A 349 -0.392 4.725 -8.560 1.00 0.00 H new ATOM 529 N PHE A 350 -0.510 1.288 -6.913 1.00 0.00 N ATOM 530 CA PHE A 350 -1.597 0.365 -6.636 1.00 0.00 C ATOM 531 C PHE A 350 -1.804 0.245 -5.129 1.00 0.00 C ATOM 532 O PHE A 350 -1.226 1.004 -4.355 1.00 0.00 O ATOM 533 CB PHE A 350 -1.342 -1.012 -7.285 1.00 0.00 C ATOM 534 CG PHE A 350 0.036 -1.588 -7.066 1.00 0.00 C ATOM 535 CD1 PHE A 350 1.132 -1.079 -7.748 1.00 0.00 C ATOM 536 CD2 PHE A 350 0.232 -2.654 -6.202 1.00 0.00 C ATOM 537 CE1 PHE A 350 2.391 -1.617 -7.572 1.00 0.00 C ATOM 538 CE2 PHE A 350 1.492 -3.194 -6.021 1.00 0.00 C ATOM 539 CZ PHE A 350 2.572 -2.675 -6.707 1.00 0.00 C ATOM 0 H PHE A 350 0.196 1.327 -6.178 1.00 0.00 H new ATOM 0 HA PHE A 350 -2.512 0.759 -7.079 1.00 0.00 H new ATOM 0 HB2 PHE A 350 -2.077 -1.718 -6.899 1.00 0.00 H new ATOM 0 HB3 PHE A 350 -1.515 -0.926 -8.358 1.00 0.00 H new ATOM 0 HD1 PHE A 350 0.998 -0.250 -8.427 1.00 0.00 H new ATOM 0 HD2 PHE A 350 -0.609 -3.067 -5.664 1.00 0.00 H new ATOM 0 HE1 PHE A 350 3.233 -1.209 -8.111 1.00 0.00 H new ATOM 0 HE2 PHE A 350 1.631 -4.023 -5.342 1.00 0.00 H new ATOM 0 HZ PHE A 350 3.556 -3.097 -6.566 1.00 0.00 H new ATOM 549 N HIS A 351 -2.651 -0.678 -4.709 1.00 0.00 N ATOM 550 CA HIS A 351 -2.939 -0.846 -3.288 1.00 0.00 C ATOM 551 C HIS A 351 -2.218 -2.059 -2.728 1.00 0.00 C ATOM 552 O HIS A 351 -1.914 -3.000 -3.461 1.00 0.00 O ATOM 553 CB HIS A 351 -4.440 -1.004 -3.039 1.00 0.00 C ATOM 554 CG HIS A 351 -5.234 0.259 -3.172 1.00 0.00 C ATOM 555 ND1 HIS A 351 -6.257 0.409 -4.092 1.00 0.00 N ATOM 556 CD2 HIS A 351 -5.183 1.421 -2.475 1.00 0.00 C ATOM 557 CE1 HIS A 351 -6.799 1.614 -3.946 1.00 0.00 C ATOM 558 NE2 HIS A 351 -6.164 2.244 -2.975 1.00 0.00 N ATOM 0 H HIS A 351 -3.151 -1.321 -5.324 1.00 0.00 H new ATOM 0 HA HIS A 351 -2.586 0.053 -2.783 1.00 0.00 H new ATOM 0 HB2 HIS A 351 -4.835 -1.740 -3.739 1.00 0.00 H new ATOM 0 HB3 HIS A 351 -4.588 -1.406 -2.037 1.00 0.00 H new ATOM 0 HD2 HIS A 351 -4.498 1.657 -1.674 1.00 0.00 H new ATOM 0 HE1 HIS A 351 -7.620 2.011 -4.524 1.00 0.00 H new ATOM 0 HE2 HIS A 351 -6.368 3.189 -2.649 1.00 0.00 H new ATOM 566 N VAL A 352 -1.966 -2.036 -1.426 1.00 0.00 N ATOM 567 CA VAL A 352 -1.349 -3.164 -0.736 1.00 0.00 C ATOM 568 C VAL A 352 -2.215 -4.415 -0.880 1.00 0.00 C ATOM 569 O VAL A 352 -1.708 -5.521 -1.075 1.00 0.00 O ATOM 570 CB VAL A 352 -1.135 -2.858 0.762 1.00 0.00 C ATOM 571 CG1 VAL A 352 -0.447 -4.021 1.467 1.00 0.00 C ATOM 572 CG2 VAL A 352 -0.331 -1.578 0.935 1.00 0.00 C ATOM 0 H VAL A 352 -2.181 -1.243 -0.822 1.00 0.00 H new ATOM 0 HA VAL A 352 -0.377 -3.338 -1.197 1.00 0.00 H new ATOM 0 HB VAL A 352 -2.114 -2.718 1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 352 -0.309 -3.778 2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 352 -1.063 -4.916 1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 352 0.524 -4.202 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 352 -0.190 -1.378 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 352 0.641 -1.691 0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 352 -0.867 -0.747 0.477 1.00 0.00 H new ATOM 582 N THR A 353 -3.530 -4.228 -0.808 1.00 0.00 N ATOM 583 CA THR A 353 -4.466 -5.333 -0.975 1.00 0.00 C ATOM 584 C THR A 353 -4.411 -5.880 -2.403 1.00 0.00 C ATOM 585 O THR A 353 -4.626 -7.065 -2.625 1.00 0.00 O ATOM 586 CB THR A 353 -5.919 -4.919 -0.626 1.00 0.00 C ATOM 587 OG1 THR A 353 -6.809 -6.031 -0.784 1.00 0.00 O ATOM 588 CG2 THR A 353 -6.390 -3.772 -1.506 1.00 0.00 C ATOM 0 H THR A 353 -3.970 -3.324 -0.636 1.00 0.00 H new ATOM 0 HA THR A 353 -4.162 -6.115 -0.279 1.00 0.00 H new ATOM 0 HB THR A 353 -5.926 -4.591 0.413 1.00 0.00 H new ATOM 0 HG1 THR A 353 -7.722 -5.754 -0.559 1.00 0.00 H new ATOM 0 HG21 THR A 353 -7.412 -3.504 -1.238 1.00 0.00 H new ATOM 0 HG22 THR A 353 -5.739 -2.910 -1.360 1.00 0.00 H new ATOM 0 HG23 THR A 353 -6.358 -4.079 -2.552 1.00 0.00 H new ATOM 596 N CYS A 354 -4.086 -5.018 -3.367 1.00 0.00 N ATOM 597 CA CYS A 354 -4.028 -5.432 -4.763 1.00 0.00 C ATOM 598 C CYS A 354 -2.839 -6.353 -5.004 1.00 0.00 C ATOM 599 O CYS A 354 -2.917 -7.277 -5.805 1.00 0.00 O ATOM 600 CB CYS A 354 -3.943 -4.215 -5.688 1.00 0.00 C ATOM 601 SG CYS A 354 -5.391 -3.131 -5.626 1.00 0.00 S ATOM 0 H CYS A 354 -3.861 -4.036 -3.205 1.00 0.00 H new ATOM 0 HA CYS A 354 -4.944 -5.978 -4.988 1.00 0.00 H new ATOM 0 HB2 CYS A 354 -3.058 -3.635 -5.426 1.00 0.00 H new ATOM 0 HB3 CYS A 354 -3.806 -4.561 -6.713 1.00 0.00 H new ATOM 0 HG CYS A 354 -5.102 -1.989 -6.175 1.00 0.00 H new ATOM 606 N ALA A 355 -1.748 -6.106 -4.291 1.00 0.00 N ATOM 607 CA ALA A 355 -0.551 -6.926 -4.425 1.00 0.00 C ATOM 608 C ALA A 355 -0.799 -8.331 -3.900 1.00 0.00 C ATOM 609 O ALA A 355 -0.430 -9.320 -4.534 1.00 0.00 O ATOM 610 CB ALA A 355 0.612 -6.281 -3.691 1.00 0.00 C ATOM 0 H ALA A 355 -1.667 -5.346 -3.615 1.00 0.00 H new ATOM 0 HA ALA A 355 -0.299 -6.999 -5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 355 1.500 -6.903 -3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 355 0.806 -5.295 -4.113 1.00 0.00 H new ATOM 0 HB3 ALA A 355 0.365 -6.181 -2.634 1.00 0.00 H new ATOM 616 N GLN A 356 -1.446 -8.407 -2.747 1.00 0.00 N ATOM 617 CA GLN A 356 -1.780 -9.683 -2.130 1.00 0.00 C ATOM 618 C GLN A 356 -2.889 -10.377 -2.912 1.00 0.00 C ATOM 619 O GLN A 356 -3.038 -11.596 -2.863 1.00 0.00 O ATOM 620 CB GLN A 356 -2.220 -9.466 -0.684 1.00 0.00 C ATOM 621 CG GLN A 356 -1.172 -8.767 0.166 1.00 0.00 C ATOM 622 CD GLN A 356 -1.689 -8.411 1.543 1.00 0.00 C ATOM 623 OE1 GLN A 356 -1.582 -9.196 2.484 1.00 0.00 O ATOM 624 NE2 GLN A 356 -2.252 -7.222 1.669 1.00 0.00 N ATOM 0 H GLN A 356 -1.753 -7.592 -2.215 1.00 0.00 H new ATOM 0 HA GLN A 356 -0.894 -10.318 -2.141 1.00 0.00 H new ATOM 0 HB2 GLN A 356 -3.137 -8.876 -0.675 1.00 0.00 H new ATOM 0 HB3 GLN A 356 -2.457 -10.431 -0.235 1.00 0.00 H new ATOM 0 HG2 GLN A 356 -0.299 -9.412 0.264 1.00 0.00 H new ATOM 0 HG3 GLN A 356 -0.843 -7.860 -0.341 1.00 0.00 H new ATOM 0 HE21 GLN A 356 -2.320 -6.602 0.862 1.00 0.00 H new ATOM 0 HE22 GLN A 356 -2.618 -6.924 2.573 1.00 0.00 H new ATOM 633 N LYS A 357 -3.666 -9.583 -3.630 1.00 0.00 N ATOM 634 CA LYS A 357 -4.792 -10.095 -4.390 1.00 0.00 C ATOM 635 C LYS A 357 -4.334 -10.623 -5.746 1.00 0.00 C ATOM 636 O LYS A 357 -4.797 -11.665 -6.205 1.00 0.00 O ATOM 637 CB LYS A 357 -5.822 -8.983 -4.578 1.00 0.00 C ATOM 638 CG LYS A 357 -7.239 -9.471 -4.826 1.00 0.00 C ATOM 639 CD LYS A 357 -8.214 -8.302 -4.909 1.00 0.00 C ATOM 640 CE LYS A 357 -8.177 -7.439 -3.652 1.00 0.00 C ATOM 641 NZ LYS A 357 -8.520 -8.207 -2.422 1.00 0.00 N ATOM 0 H LYS A 357 -3.535 -8.574 -3.702 1.00 0.00 H new ATOM 0 HA LYS A 357 -5.243 -10.921 -3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 357 -5.820 -8.349 -3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 357 -5.514 -8.358 -5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 357 -7.273 -10.044 -5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 357 -7.541 -10.144 -4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 357 -7.972 -7.689 -5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 357 -9.225 -8.682 -5.058 1.00 0.00 H new ATOM 0 HE2 LYS A 357 -7.182 -7.007 -3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 357 -8.874 -6.609 -3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 357 -8.547 -7.562 -1.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 357 -9.451 -8.655 -2.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 357 -7.801 -8.941 -2.259 1.00 0.00 H new ATOM 655 N ALA A 358 -3.421 -9.896 -6.381 1.00 0.00 N ATOM 656 CA ALA A 358 -2.915 -10.284 -7.693 1.00 0.00 C ATOM 657 C ALA A 358 -1.860 -11.377 -7.578 1.00 0.00 C ATOM 658 O ALA A 358 -1.748 -12.239 -8.450 1.00 0.00 O ATOM 659 CB ALA A 358 -2.348 -9.076 -8.423 1.00 0.00 C ATOM 0 H ALA A 358 -3.017 -9.036 -6.009 1.00 0.00 H new ATOM 0 HA ALA A 358 -3.750 -10.683 -8.269 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -1.975 -9.383 -9.400 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -3.131 -8.329 -8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -1.531 -8.649 -7.841 1.00 0.00 H new ATOM 665 N GLY A 359 -1.091 -11.337 -6.500 1.00 0.00 N ATOM 666 CA GLY A 359 -0.041 -12.314 -6.303 1.00 0.00 C ATOM 667 C GLY A 359 1.214 -11.953 -7.067 1.00 0.00 C ATOM 668 O GLY A 359 1.857 -12.811 -7.674 1.00 0.00 O ATOM 0 H GLY A 359 -1.176 -10.644 -5.757 1.00 0.00 H new ATOM 0 HA2 GLY A 359 0.190 -12.390 -5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.392 -13.295 -6.624 1.00 0.00 H new ATOM 672 N LEU A 360 1.562 -10.675 -7.041 1.00 0.00 N ATOM 673 CA LEU A 360 2.743 -10.191 -7.740 1.00 0.00 C ATOM 674 C LEU A 360 3.975 -10.277 -6.842 1.00 0.00 C ATOM 675 O LEU A 360 3.912 -10.830 -5.742 1.00 0.00 O ATOM 676 CB LEU A 360 2.512 -8.759 -8.254 1.00 0.00 C ATOM 677 CG LEU A 360 1.953 -7.754 -7.233 1.00 0.00 C ATOM 678 CD1 LEU A 360 3.042 -7.248 -6.300 1.00 0.00 C ATOM 679 CD2 LEU A 360 1.281 -6.591 -7.950 1.00 0.00 C ATOM 0 H LEU A 360 1.042 -9.953 -6.542 1.00 0.00 H new ATOM 0 HA LEU A 360 2.925 -10.829 -8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.459 -8.373 -8.631 1.00 0.00 H new ATOM 0 HB3 LEU A 360 1.827 -8.805 -9.100 1.00 0.00 H new ATOM 0 HG LEU A 360 1.209 -8.270 -6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 360 2.613 -6.540 -5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 360 3.475 -8.088 -5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 360 3.819 -6.753 -6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 360 0.890 -5.887 -7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 360 2.009 -6.085 -8.585 1.00 0.00 H new ATOM 0 HD23 LEU A 360 0.463 -6.966 -8.564 1.00 0.00 H new ATOM 691 N TYR A 361 5.093 -9.744 -7.314 1.00 0.00 N ATOM 692 CA TYR A 361 6.340 -9.803 -6.564 1.00 0.00 C ATOM 693 C TYR A 361 6.369 -8.722 -5.487 1.00 0.00 C ATOM 694 O TYR A 361 6.439 -7.528 -5.786 1.00 0.00 O ATOM 695 CB TYR A 361 7.541 -9.648 -7.501 1.00 0.00 C ATOM 696 CG TYR A 361 8.876 -9.864 -6.820 1.00 0.00 C ATOM 697 CD1 TYR A 361 9.563 -8.808 -6.232 1.00 0.00 C ATOM 698 CD2 TYR A 361 9.450 -11.128 -6.765 1.00 0.00 C ATOM 699 CE1 TYR A 361 10.782 -9.005 -5.611 1.00 0.00 C ATOM 700 CE2 TYR A 361 10.668 -11.332 -6.146 1.00 0.00 C ATOM 701 CZ TYR A 361 11.329 -10.269 -5.570 1.00 0.00 C ATOM 702 OH TYR A 361 12.544 -10.470 -4.952 1.00 0.00 O ATOM 0 H TYR A 361 5.162 -9.266 -8.212 1.00 0.00 H new ATOM 0 HA TYR A 361 6.401 -10.778 -6.081 1.00 0.00 H new ATOM 0 HB2 TYR A 361 7.443 -10.357 -8.323 1.00 0.00 H new ATOM 0 HB3 TYR A 361 7.523 -8.650 -7.938 1.00 0.00 H new ATOM 0 HD1 TYR A 361 9.137 -7.816 -6.261 1.00 0.00 H new ATOM 0 HD2 TYR A 361 8.935 -11.965 -7.214 1.00 0.00 H new ATOM 0 HE1 TYR A 361 11.303 -8.173 -5.160 1.00 0.00 H new ATOM 0 HE2 TYR A 361 11.101 -12.321 -6.114 1.00 0.00 H new ATOM 0 HH TYR A 361 12.788 -11.417 -5.010 1.00 0.00 H new ATOM 712 N MET A 362 6.317 -9.152 -4.238 1.00 0.00 N ATOM 713 CA MET A 362 6.341 -8.234 -3.112 1.00 0.00 C ATOM 714 C MET A 362 7.419 -8.670 -2.126 1.00 0.00 C ATOM 715 O MET A 362 7.345 -9.762 -1.562 1.00 0.00 O ATOM 716 CB MET A 362 4.973 -8.205 -2.427 1.00 0.00 C ATOM 717 CG MET A 362 4.766 -7.006 -1.515 1.00 0.00 C ATOM 718 SD MET A 362 3.212 -7.090 -0.601 1.00 0.00 S ATOM 719 CE MET A 362 3.205 -5.484 0.193 1.00 0.00 C ATOM 0 H MET A 362 6.258 -10.136 -3.977 1.00 0.00 H new ATOM 0 HA MET A 362 6.568 -7.230 -3.469 1.00 0.00 H new ATOM 0 HB2 MET A 362 4.195 -8.207 -3.191 1.00 0.00 H new ATOM 0 HB3 MET A 362 4.850 -9.118 -1.844 1.00 0.00 H new ATOM 0 HG2 MET A 362 5.595 -6.943 -0.810 1.00 0.00 H new ATOM 0 HG3 MET A 362 4.784 -6.093 -2.111 1.00 0.00 H new ATOM 0 HE1 MET A 362 2.488 -5.487 1.014 1.00 0.00 H new ATOM 0 HE2 MET A 362 4.200 -5.265 0.580 1.00 0.00 H new ATOM 0 HE3 MET A 362 2.922 -4.721 -0.532 1.00 0.00 H new ATOM 729 N LYS A 363 8.416 -7.823 -1.923 1.00 0.00 N ATOM 730 CA LYS A 363 9.565 -8.183 -1.108 1.00 0.00 C ATOM 731 C LYS A 363 9.704 -7.230 0.074 1.00 0.00 C ATOM 732 O LYS A 363 9.260 -6.079 0.017 1.00 0.00 O ATOM 733 CB LYS A 363 10.839 -8.140 -1.959 1.00 0.00 C ATOM 734 CG LYS A 363 11.952 -9.040 -1.443 1.00 0.00 C ATOM 735 CD LYS A 363 13.234 -8.846 -2.235 1.00 0.00 C ATOM 736 CE LYS A 363 14.292 -9.867 -1.850 1.00 0.00 C ATOM 737 NZ LYS A 363 15.617 -9.533 -2.436 1.00 0.00 N ATOM 0 H LYS A 363 8.452 -6.881 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 363 9.417 -9.193 -0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 363 10.593 -8.431 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 363 11.204 -7.114 -1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 363 12.137 -8.826 -0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 363 11.638 -10.082 -1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 363 13.020 -8.928 -3.301 1.00 0.00 H new ATOM 0 HD3 LYS A 363 13.619 -7.841 -2.064 1.00 0.00 H new ATOM 0 HE2 LYS A 363 14.375 -9.913 -0.764 1.00 0.00 H new ATOM 0 HE3 LYS A 363 13.983 -10.856 -2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 16.184 -10.400 -2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 15.484 -9.105 -3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 16.111 -8.860 -1.816 1.00 0.00 H new ATOM 751 N MET A 364 10.327 -7.708 1.140 1.00 0.00 N ATOM 752 CA MET A 364 10.552 -6.911 2.333 1.00 0.00 C ATOM 753 C MET A 364 11.891 -7.312 2.915 1.00 0.00 C ATOM 754 O MET A 364 12.039 -8.395 3.482 1.00 0.00 O ATOM 755 CB MET A 364 9.434 -7.115 3.365 1.00 0.00 C ATOM 756 CG MET A 364 8.043 -6.844 2.821 1.00 0.00 C ATOM 757 SD MET A 364 6.751 -6.994 4.068 1.00 0.00 S ATOM 758 CE MET A 364 5.295 -6.726 3.061 1.00 0.00 C ATOM 0 H MET A 364 10.690 -8.659 1.201 1.00 0.00 H new ATOM 0 HA MET A 364 10.551 -5.853 2.070 1.00 0.00 H new ATOM 0 HB2 MET A 364 9.476 -8.139 3.735 1.00 0.00 H new ATOM 0 HB3 MET A 364 9.615 -6.460 4.217 1.00 0.00 H new ATOM 0 HG2 MET A 364 8.015 -5.840 2.397 1.00 0.00 H new ATOM 0 HG3 MET A 364 7.836 -7.539 2.008 1.00 0.00 H new ATOM 0 HE1 MET A 364 4.404 -6.787 3.686 1.00 0.00 H new ATOM 0 HE2 MET A 364 5.348 -5.740 2.600 1.00 0.00 H new ATOM 0 HE3 MET A 364 5.245 -7.488 2.283 1.00 0.00 H new ATOM 768 N GLU A 365 12.868 -6.452 2.746 1.00 0.00 N ATOM 769 CA GLU A 365 14.238 -6.791 3.066 1.00 0.00 C ATOM 770 C GLU A 365 14.707 -6.078 4.328 1.00 0.00 C ATOM 771 O GLU A 365 14.664 -4.859 4.405 1.00 0.00 O ATOM 772 CB GLU A 365 15.117 -6.398 1.887 1.00 0.00 C ATOM 773 CG GLU A 365 14.789 -7.134 0.603 1.00 0.00 C ATOM 774 CD GLU A 365 15.628 -6.662 -0.565 1.00 0.00 C ATOM 775 OE1 GLU A 365 15.397 -5.540 -1.057 1.00 0.00 O ATOM 776 OE2 GLU A 365 16.512 -7.423 -1.012 1.00 0.00 O ATOM 0 H GLU A 365 12.740 -5.506 2.386 1.00 0.00 H new ATOM 0 HA GLU A 365 14.307 -7.863 3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 365 15.019 -5.326 1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 365 16.159 -6.585 2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 365 14.945 -8.203 0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 365 13.734 -6.996 0.368 1.00 0.00 H new ATOM 783 N PRO A 366 15.153 -6.827 5.338 1.00 0.00 N ATOM 784 CA PRO A 366 15.720 -6.259 6.549 1.00 0.00 C ATOM 785 C PRO A 366 17.243 -6.168 6.485 1.00 0.00 C ATOM 786 O PRO A 366 17.930 -7.181 6.347 1.00 0.00 O ATOM 787 CB PRO A 366 15.282 -7.266 7.608 1.00 0.00 C ATOM 788 CG PRO A 366 15.211 -8.583 6.895 1.00 0.00 C ATOM 789 CD PRO A 366 15.101 -8.292 5.411 1.00 0.00 C ATOM 0 HA PRO A 366 15.390 -5.237 6.736 1.00 0.00 H new ATOM 0 HB2 PRO A 366 15.993 -7.303 8.433 1.00 0.00 H new ATOM 0 HB3 PRO A 366 14.315 -6.996 8.032 1.00 0.00 H new ATOM 0 HG2 PRO A 366 16.098 -9.180 7.104 1.00 0.00 H new ATOM 0 HG3 PRO A 366 14.351 -9.159 7.238 1.00 0.00 H new ATOM 0 HD2 PRO A 366 15.917 -8.750 4.852 1.00 0.00 H new ATOM 0 HD3 PRO A 366 14.172 -8.681 4.995 1.00 0.00 H new ATOM 797 N VAL A 367 17.775 -4.962 6.567 1.00 0.00 N ATOM 798 CA VAL A 367 19.215 -4.789 6.567 1.00 0.00 C ATOM 799 C VAL A 367 19.691 -4.441 7.977 1.00 0.00 C ATOM 800 O VAL A 367 19.105 -3.590 8.652 1.00 0.00 O ATOM 801 CB VAL A 367 19.678 -3.733 5.525 1.00 0.00 C ATOM 802 CG1 VAL A 367 19.384 -2.314 5.953 1.00 0.00 C ATOM 803 CG2 VAL A 367 21.148 -3.908 5.192 1.00 0.00 C ATOM 0 H VAL A 367 17.238 -4.097 6.634 1.00 0.00 H new ATOM 0 HA VAL A 367 19.673 -5.731 6.266 1.00 0.00 H new ATOM 0 HB VAL A 367 19.093 -3.910 4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 367 19.730 -1.623 5.184 1.00 0.00 H new ATOM 0 HG12 VAL A 367 18.310 -2.192 6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 367 19.899 -2.102 6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 367 21.447 -3.157 4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 367 21.743 -3.790 6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 367 21.311 -4.903 4.778 1.00 0.00 H new ATOM 813 N LYS A 368 20.716 -5.144 8.441 1.00 0.00 N ATOM 814 CA LYS A 368 21.202 -4.963 9.799 1.00 0.00 C ATOM 815 C LYS A 368 22.307 -3.921 9.849 1.00 0.00 C ATOM 816 O LYS A 368 23.369 -4.095 9.251 1.00 0.00 O ATOM 817 CB LYS A 368 21.720 -6.282 10.374 1.00 0.00 C ATOM 818 CG LYS A 368 22.120 -6.177 11.839 1.00 0.00 C ATOM 819 CD LYS A 368 22.815 -7.435 12.337 1.00 0.00 C ATOM 820 CE LYS A 368 24.187 -7.611 11.699 1.00 0.00 C ATOM 821 NZ LYS A 368 24.920 -8.771 12.271 1.00 0.00 N ATOM 0 H LYS A 368 21.224 -5.842 7.898 1.00 0.00 H new ATOM 0 HA LYS A 368 20.362 -4.617 10.402 1.00 0.00 H new ATOM 0 HB2 LYS A 368 20.950 -7.046 10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 368 22.580 -6.613 9.791 1.00 0.00 H new ATOM 0 HG2 LYS A 368 22.782 -5.321 11.973 1.00 0.00 H new ATOM 0 HG3 LYS A 368 21.232 -5.991 12.444 1.00 0.00 H new ATOM 0 HD2 LYS A 368 22.921 -7.387 13.421 1.00 0.00 H new ATOM 0 HD3 LYS A 368 22.196 -8.305 12.115 1.00 0.00 H new ATOM 0 HE2 LYS A 368 24.072 -7.748 10.624 1.00 0.00 H new ATOM 0 HE3 LYS A 368 24.774 -6.704 11.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 25.848 -8.856 11.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 25.052 -8.629 13.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 24.373 -9.641 12.111 1.00 0.00 H new ATOM 835 N GLU A 369 22.048 -2.842 10.565 1.00 0.00 N ATOM 836 CA GLU A 369 23.028 -1.788 10.755 1.00 0.00 C ATOM 837 C GLU A 369 23.338 -1.639 12.246 1.00 0.00 C ATOM 838 O GLU A 369 22.760 -2.342 13.073 1.00 0.00 O ATOM 839 CB GLU A 369 22.540 -0.480 10.127 1.00 0.00 C ATOM 840 CG GLU A 369 22.295 -0.602 8.629 1.00 0.00 C ATOM 841 CD GLU A 369 21.794 0.680 7.996 1.00 0.00 C ATOM 842 OE1 GLU A 369 20.602 1.012 8.171 1.00 0.00 O ATOM 843 OE2 GLU A 369 22.586 1.357 7.305 1.00 0.00 O ATOM 0 H GLU A 369 21.156 -2.672 11.030 1.00 0.00 H new ATOM 0 HA GLU A 369 23.955 -2.053 10.247 1.00 0.00 H new ATOM 0 HB2 GLU A 369 21.618 -0.168 10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 369 23.277 0.302 10.308 1.00 0.00 H new ATOM 0 HG2 GLU A 369 23.222 -0.902 8.140 1.00 0.00 H new ATOM 0 HG3 GLU A 369 21.569 -1.395 8.450 1.00 0.00 H new ATOM 850 N LEU A 370 24.250 -0.743 12.582 1.00 0.00 N ATOM 851 CA LEU A 370 24.857 -0.710 13.916 1.00 0.00 C ATOM 852 C LEU A 370 25.509 0.635 14.180 1.00 0.00 C ATOM 853 O LEU A 370 25.517 1.138 15.303 1.00 0.00 O ATOM 854 CB LEU A 370 25.902 -1.827 14.033 1.00 0.00 C ATOM 855 CG LEU A 370 26.730 -1.841 15.324 1.00 0.00 C ATOM 856 CD1 LEU A 370 25.861 -2.144 16.532 1.00 0.00 C ATOM 857 CD2 LEU A 370 27.854 -2.858 15.217 1.00 0.00 C ATOM 0 H LEU A 370 24.593 -0.020 11.949 1.00 0.00 H new ATOM 0 HA LEU A 370 24.073 -0.862 14.658 1.00 0.00 H new ATOM 0 HB2 LEU A 370 25.392 -2.786 13.942 1.00 0.00 H new ATOM 0 HB3 LEU A 370 26.585 -1.748 13.187 1.00 0.00 H new ATOM 0 HG LEU A 370 27.160 -0.848 15.459 1.00 0.00 H new ATOM 0 HD11 LEU A 370 26.477 -2.147 17.432 1.00 0.00 H new ATOM 0 HD12 LEU A 370 25.087 -1.382 16.624 1.00 0.00 H new ATOM 0 HD13 LEU A 370 25.394 -3.121 16.409 1.00 0.00 H new ATOM 0 HD21 LEU A 370 28.434 -2.858 16.140 1.00 0.00 H new ATOM 0 HD22 LEU A 370 27.433 -3.850 15.053 1.00 0.00 H new ATOM 0 HD23 LEU A 370 28.503 -2.597 14.381 1.00 0.00 H new ATOM 869 N THR A 371 26.063 1.195 13.136 1.00 0.00 N ATOM 870 CA THR A 371 26.706 2.495 13.217 1.00 0.00 C ATOM 871 C THR A 371 25.662 3.593 13.440 1.00 0.00 C ATOM 872 O THR A 371 24.620 3.629 12.775 1.00 0.00 O ATOM 873 CB THR A 371 27.561 2.794 11.957 1.00 0.00 C ATOM 874 OG1 THR A 371 28.206 4.069 12.084 1.00 0.00 O ATOM 875 CG2 THR A 371 26.721 2.769 10.688 1.00 0.00 C ATOM 0 H THR A 371 26.085 0.772 12.208 1.00 0.00 H new ATOM 0 HA THR A 371 27.384 2.478 14.071 1.00 0.00 H new ATOM 0 HB THR A 371 28.314 2.010 11.880 1.00 0.00 H new ATOM 0 HG1 THR A 371 28.743 4.245 11.284 1.00 0.00 H new ATOM 0 HG21 THR A 371 27.355 2.983 9.828 1.00 0.00 H new ATOM 0 HG22 THR A 371 26.269 1.784 10.570 1.00 0.00 H new ATOM 0 HG23 THR A 371 25.936 3.522 10.756 1.00 0.00 H new ATOM 883 N GLY A 372 25.935 4.461 14.403 1.00 0.00 N ATOM 884 CA GLY A 372 25.005 5.515 14.745 1.00 0.00 C ATOM 885 C GLY A 372 24.618 5.476 16.208 1.00 0.00 C ATOM 886 O GLY A 372 25.231 6.150 17.039 1.00 0.00 O ATOM 0 H GLY A 372 26.791 4.453 14.957 1.00 0.00 H new ATOM 0 HA2 GLY A 372 25.452 6.482 14.514 1.00 0.00 H new ATOM 0 HA3 GLY A 372 24.110 5.422 14.130 1.00 0.00 H new ATOM 890 N GLY A 373 23.615 4.676 16.528 1.00 0.00 N ATOM 891 CA GLY A 373 23.158 4.566 17.898 1.00 0.00 C ATOM 892 C GLY A 373 22.802 3.142 18.247 1.00 0.00 C ATOM 893 O GLY A 373 21.674 2.855 18.655 1.00 0.00 O ATOM 0 H GLY A 373 23.106 4.097 15.860 1.00 0.00 H new ATOM 0 HA2 GLY A 373 23.936 4.924 18.572 1.00 0.00 H new ATOM 0 HA3 GLY A 373 22.289 5.207 18.046 1.00 0.00 H new ATOM 897 N GLY A 374 23.762 2.247 18.073 1.00 0.00 N ATOM 898 CA GLY A 374 23.521 0.844 18.317 1.00 0.00 C ATOM 899 C GLY A 374 22.981 0.153 17.088 1.00 0.00 C ATOM 900 O GLY A 374 22.818 0.786 16.046 1.00 0.00 O ATOM 0 H GLY A 374 24.708 2.471 17.765 1.00 0.00 H new ATOM 0 HA2 GLY A 374 24.449 0.363 18.628 1.00 0.00 H new ATOM 0 HA3 GLY A 374 22.813 0.733 19.139 1.00 0.00 H new ATOM 904 N THR A 375 22.711 -1.139 17.201 1.00 0.00 N ATOM 905 CA THR A 375 22.169 -1.904 16.091 1.00 0.00 C ATOM 906 C THR A 375 20.837 -1.306 15.648 1.00 0.00 C ATOM 907 O THR A 375 19.974 -1.001 16.475 1.00 0.00 O ATOM 908 CB THR A 375 21.955 -3.378 16.497 1.00 0.00 C ATOM 909 OG1 THR A 375 23.142 -3.890 17.115 1.00 0.00 O ATOM 910 CG2 THR A 375 21.600 -4.241 15.295 1.00 0.00 C ATOM 0 H THR A 375 22.859 -1.680 18.053 1.00 0.00 H new ATOM 0 HA THR A 375 22.882 -1.863 15.268 1.00 0.00 H new ATOM 0 HB THR A 375 21.124 -3.412 17.201 1.00 0.00 H new ATOM 0 HG1 THR A 375 23.000 -4.825 17.372 1.00 0.00 H new ATOM 0 HG21 THR A 375 21.456 -5.272 15.617 1.00 0.00 H new ATOM 0 HG22 THR A 375 20.681 -3.871 14.841 1.00 0.00 H new ATOM 0 HG23 THR A 375 22.408 -4.198 14.565 1.00 0.00 H new ATOM 918 N THR A 376 20.673 -1.141 14.352 1.00 0.00 N ATOM 919 CA THR A 376 19.506 -0.526 13.813 1.00 0.00 C ATOM 920 C THR A 376 18.902 -1.449 12.777 1.00 0.00 C ATOM 921 O THR A 376 19.548 -1.850 11.806 1.00 0.00 O ATOM 922 CB THR A 376 19.832 0.847 13.185 1.00 0.00 C ATOM 923 OG1 THR A 376 20.787 0.694 12.136 1.00 0.00 O ATOM 924 CG2 THR A 376 20.405 1.797 14.220 1.00 0.00 C ATOM 0 H THR A 376 21.354 -1.435 13.652 1.00 0.00 H new ATOM 0 HA THR A 376 18.793 -0.353 14.619 1.00 0.00 H new ATOM 0 HB THR A 376 18.902 1.258 12.792 1.00 0.00 H new ATOM 0 HG1 THR A 376 20.498 1.208 11.353 1.00 0.00 H new ATOM 0 HG21 THR A 376 20.626 2.756 13.751 1.00 0.00 H new ATOM 0 HG22 THR A 376 19.680 1.943 15.021 1.00 0.00 H new ATOM 0 HG23 THR A 376 21.322 1.376 14.633 1.00 0.00 H new ATOM 932 N PHE A 377 17.682 -1.824 13.032 1.00 0.00 N ATOM 933 CA PHE A 377 16.919 -2.641 12.116 1.00 0.00 C ATOM 934 C PHE A 377 16.270 -1.760 11.057 1.00 0.00 C ATOM 935 O PHE A 377 15.356 -0.987 11.352 1.00 0.00 O ATOM 936 CB PHE A 377 15.852 -3.414 12.889 1.00 0.00 C ATOM 937 CG PHE A 377 15.483 -4.712 12.247 1.00 0.00 C ATOM 938 CD1 PHE A 377 16.317 -5.803 12.372 1.00 0.00 C ATOM 939 CD2 PHE A 377 14.308 -4.843 11.530 1.00 0.00 C ATOM 940 CE1 PHE A 377 15.989 -7.013 11.793 1.00 0.00 C ATOM 941 CE2 PHE A 377 13.972 -6.049 10.945 1.00 0.00 C ATOM 942 CZ PHE A 377 14.814 -7.137 11.078 1.00 0.00 C ATOM 0 H PHE A 377 17.180 -1.574 13.884 1.00 0.00 H new ATOM 0 HA PHE A 377 17.583 -3.350 11.622 1.00 0.00 H new ATOM 0 HB2 PHE A 377 16.212 -3.606 13.900 1.00 0.00 H new ATOM 0 HB3 PHE A 377 14.959 -2.795 12.981 1.00 0.00 H new ATOM 0 HD1 PHE A 377 17.237 -5.710 12.929 1.00 0.00 H new ATOM 0 HD2 PHE A 377 13.647 -3.995 11.426 1.00 0.00 H new ATOM 0 HE1 PHE A 377 16.650 -7.861 11.899 1.00 0.00 H new ATOM 0 HE2 PHE A 377 13.053 -6.141 10.385 1.00 0.00 H new ATOM 0 HZ PHE A 377 14.554 -8.082 10.624 1.00 0.00 H new ATOM 952 N SER A 378 16.757 -1.862 9.837 1.00 0.00 N ATOM 953 CA SER A 378 16.216 -1.085 8.738 1.00 0.00 C ATOM 954 C SER A 378 15.438 -1.983 7.791 1.00 0.00 C ATOM 955 O SER A 378 15.991 -2.931 7.228 1.00 0.00 O ATOM 956 CB SER A 378 17.349 -0.391 7.987 1.00 0.00 C ATOM 957 OG SER A 378 18.113 0.432 8.857 1.00 0.00 O ATOM 0 H SER A 378 17.529 -2.477 9.580 1.00 0.00 H new ATOM 0 HA SER A 378 15.539 -0.331 9.139 1.00 0.00 H new ATOM 0 HB2 SER A 378 17.996 -1.138 7.528 1.00 0.00 H new ATOM 0 HB3 SER A 378 16.937 0.213 7.179 1.00 0.00 H new ATOM 0 HG SER A 378 19.061 0.370 8.617 1.00 0.00 H new ATOM 963 N VAL A 379 14.156 -1.703 7.623 1.00 0.00 N ATOM 964 CA VAL A 379 13.347 -2.483 6.710 1.00 0.00 C ATOM 965 C VAL A 379 13.256 -1.784 5.366 1.00 0.00 C ATOM 966 O VAL A 379 12.976 -0.588 5.279 1.00 0.00 O ATOM 967 CB VAL A 379 11.924 -2.736 7.231 1.00 0.00 C ATOM 968 CG1 VAL A 379 11.269 -3.876 6.463 1.00 0.00 C ATOM 969 CG2 VAL A 379 11.924 -3.020 8.726 1.00 0.00 C ATOM 0 H VAL A 379 13.661 -0.951 8.102 1.00 0.00 H new ATOM 0 HA VAL A 379 13.842 -3.449 6.613 1.00 0.00 H new ATOM 0 HB VAL A 379 11.341 -1.830 7.068 1.00 0.00 H new ATOM 0 HG11 VAL A 379 10.262 -4.041 6.846 1.00 0.00 H new ATOM 0 HG12 VAL A 379 11.218 -3.620 5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 379 11.858 -4.785 6.588 1.00 0.00 H new ATOM 0 HG21 VAL A 379 10.902 -3.195 9.063 1.00 0.00 H new ATOM 0 HG22 VAL A 379 12.529 -3.904 8.928 1.00 0.00 H new ATOM 0 HG23 VAL A 379 12.341 -2.165 9.259 1.00 0.00 H new ATOM 979 N ARG A 380 13.491 -2.552 4.337 1.00 0.00 N ATOM 980 CA ARG A 380 13.481 -2.072 2.972 1.00 0.00 C ATOM 981 C ARG A 380 12.335 -2.747 2.235 1.00 0.00 C ATOM 982 O ARG A 380 12.461 -3.878 1.766 1.00 0.00 O ATOM 983 CB ARG A 380 14.826 -2.406 2.315 1.00 0.00 C ATOM 984 CG ARG A 380 14.997 -1.889 0.899 1.00 0.00 C ATOM 985 CD ARG A 380 16.299 -2.399 0.300 1.00 0.00 C ATOM 986 NE ARG A 380 16.621 -1.752 -0.974 1.00 0.00 N ATOM 987 CZ ARG A 380 17.166 -2.382 -2.018 1.00 0.00 C ATOM 988 NH1 ARG A 380 17.321 -3.703 -2.007 1.00 0.00 N ATOM 989 NH2 ARG A 380 17.522 -1.690 -3.093 1.00 0.00 N ATOM 0 H ARG A 380 13.699 -3.547 4.420 1.00 0.00 H new ATOM 0 HA ARG A 380 13.339 -0.992 2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 380 15.626 -1.998 2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 380 14.950 -3.489 2.307 1.00 0.00 H new ATOM 0 HG2 ARG A 380 14.156 -2.210 0.284 1.00 0.00 H new ATOM 0 HG3 ARG A 380 14.993 -0.799 0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 380 17.112 -2.228 1.006 1.00 0.00 H new ATOM 0 HD3 ARG A 380 16.229 -3.476 0.149 1.00 0.00 H new ATOM 0 HE ARG A 380 16.416 -0.757 -1.070 1.00 0.00 H new ATOM 0 HH11 ARG A 380 17.022 -4.245 -1.196 1.00 0.00 H new ATOM 0 HH12 ARG A 380 17.738 -4.174 -2.810 1.00 0.00 H new ATOM 0 HH21 ARG A 380 17.379 -0.680 -3.120 1.00 0.00 H new ATOM 0 HH22 ARG A 380 17.939 -2.168 -3.892 1.00 0.00 H new ATOM 1003 N LYS A 381 11.203 -2.069 2.168 1.00 0.00 N ATOM 1004 CA LYS A 381 10.006 -2.668 1.606 1.00 0.00 C ATOM 1005 C LYS A 381 9.932 -2.383 0.112 1.00 0.00 C ATOM 1006 O LYS A 381 9.734 -1.241 -0.308 1.00 0.00 O ATOM 1007 CB LYS A 381 8.761 -2.140 2.322 1.00 0.00 C ATOM 1008 CG LYS A 381 7.530 -3.008 2.118 1.00 0.00 C ATOM 1009 CD LYS A 381 6.280 -2.407 2.757 1.00 0.00 C ATOM 1010 CE LYS A 381 6.317 -2.445 4.285 1.00 0.00 C ATOM 1011 NZ LYS A 381 7.056 -1.296 4.878 1.00 0.00 N ATOM 0 H LYS A 381 11.088 -1.109 2.494 1.00 0.00 H new ATOM 0 HA LYS A 381 10.049 -3.748 1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 381 8.970 -2.065 3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 381 8.548 -1.132 1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 381 7.359 -3.145 1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 381 7.712 -3.996 2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 381 6.170 -1.374 2.427 1.00 0.00 H new ATOM 0 HD3 LYS A 381 5.402 -2.949 2.406 1.00 0.00 H new ATOM 0 HE2 LYS A 381 5.296 -2.450 4.668 1.00 0.00 H new ATOM 0 HE3 LYS A 381 6.783 -3.376 4.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 7.868 -1.650 5.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 7.394 -0.672 4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 6.422 -0.763 5.507 1.00 0.00 H new ATOM 1025 N THR A 382 10.088 -3.428 -0.685 1.00 0.00 N ATOM 1026 CA THR A 382 10.187 -3.276 -2.122 1.00 0.00 C ATOM 1027 C THR A 382 9.178 -4.158 -2.847 1.00 0.00 C ATOM 1028 O THR A 382 9.254 -5.380 -2.790 1.00 0.00 O ATOM 1029 CB THR A 382 11.603 -3.626 -2.612 1.00 0.00 C ATOM 1030 OG1 THR A 382 12.571 -2.834 -1.911 1.00 0.00 O ATOM 1031 CG2 THR A 382 11.731 -3.382 -4.105 1.00 0.00 C ATOM 0 H THR A 382 10.149 -4.392 -0.357 1.00 0.00 H new ATOM 0 HA THR A 382 9.970 -2.232 -2.349 1.00 0.00 H new ATOM 0 HB THR A 382 11.784 -4.683 -2.414 1.00 0.00 H new ATOM 0 HG1 THR A 382 13.470 -3.062 -2.226 1.00 0.00 H new ATOM 0 HG21 THR A 382 12.740 -3.636 -4.430 1.00 0.00 H new ATOM 0 HG22 THR A 382 11.011 -4.003 -4.638 1.00 0.00 H new ATOM 0 HG23 THR A 382 11.534 -2.332 -4.320 1.00 0.00 H new ATOM 1039 N ALA A 383 8.235 -3.533 -3.524 1.00 0.00 N ATOM 1040 CA ALA A 383 7.285 -4.261 -4.343 1.00 0.00 C ATOM 1041 C ALA A 383 7.329 -3.738 -5.768 1.00 0.00 C ATOM 1042 O ALA A 383 7.397 -2.526 -5.991 1.00 0.00 O ATOM 1043 CB ALA A 383 5.885 -4.142 -3.766 1.00 0.00 C ATOM 0 H ALA A 383 8.106 -2.521 -3.523 1.00 0.00 H new ATOM 0 HA ALA A 383 7.556 -5.317 -4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.185 -4.694 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 383 5.871 -4.554 -2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 383 5.593 -3.092 -3.733 1.00 0.00 H new ATOM 1049 N TYR A 384 7.320 -4.645 -6.729 1.00 0.00 N ATOM 1050 CA TYR A 384 7.297 -4.251 -8.123 1.00 0.00 C ATOM 1051 C TYR A 384 5.953 -4.635 -8.720 1.00 0.00 C ATOM 1052 O TYR A 384 5.398 -5.682 -8.391 1.00 0.00 O ATOM 1053 CB TYR A 384 8.427 -4.918 -8.922 1.00 0.00 C ATOM 1054 CG TYR A 384 9.817 -4.755 -8.327 1.00 0.00 C ATOM 1055 CD1 TYR A 384 10.493 -3.532 -8.343 1.00 0.00 C ATOM 1056 CD2 TYR A 384 10.460 -5.844 -7.754 1.00 0.00 C ATOM 1057 CE1 TYR A 384 11.761 -3.416 -7.805 1.00 0.00 C ATOM 1058 CE2 TYR A 384 11.726 -5.730 -7.216 1.00 0.00 C ATOM 1059 CZ TYR A 384 12.372 -4.513 -7.243 1.00 0.00 C ATOM 1060 OH TYR A 384 13.634 -4.391 -6.709 1.00 0.00 O ATOM 0 H TYR A 384 7.328 -5.652 -6.570 1.00 0.00 H new ATOM 0 HA TYR A 384 7.446 -3.173 -8.178 1.00 0.00 H new ATOM 0 HB2 TYR A 384 8.209 -5.982 -9.012 1.00 0.00 H new ATOM 0 HB3 TYR A 384 8.430 -4.507 -9.931 1.00 0.00 H new ATOM 0 HD1 TYR A 384 10.019 -2.666 -8.781 1.00 0.00 H new ATOM 0 HD2 TYR A 384 9.959 -6.800 -7.729 1.00 0.00 H new ATOM 0 HE1 TYR A 384 12.272 -2.465 -7.826 1.00 0.00 H new ATOM 0 HE2 TYR A 384 12.208 -6.590 -6.776 1.00 0.00 H new ATOM 0 HH TYR A 384 13.923 -5.256 -6.351 1.00 0.00 H new ATOM 1070 N CYS A 385 5.434 -3.784 -9.594 1.00 0.00 N ATOM 1071 CA CYS A 385 4.124 -4.009 -10.195 1.00 0.00 C ATOM 1072 C CYS A 385 4.111 -5.282 -11.033 1.00 0.00 C ATOM 1073 O CYS A 385 5.139 -5.692 -11.573 1.00 0.00 O ATOM 1074 CB CYS A 385 3.693 -2.806 -11.050 1.00 0.00 C ATOM 1075 SG CYS A 385 4.868 -2.328 -12.351 1.00 0.00 S ATOM 0 H CYS A 385 5.899 -2.931 -9.904 1.00 0.00 H new ATOM 0 HA CYS A 385 3.409 -4.128 -9.381 1.00 0.00 H new ATOM 0 HB2 CYS A 385 2.734 -3.034 -11.514 1.00 0.00 H new ATOM 0 HB3 CYS A 385 3.534 -1.951 -10.393 1.00 0.00 H new ATOM 0 HG CYS A 385 5.978 -1.927 -11.807 1.00 0.00 H new ATOM 1080 N ASP A 386 2.940 -5.895 -11.120 1.00 0.00 N ATOM 1081 CA ASP A 386 2.736 -7.119 -11.902 1.00 0.00 C ATOM 1082 C ASP A 386 3.331 -7.010 -13.310 1.00 0.00 C ATOM 1083 O ASP A 386 4.060 -7.898 -13.758 1.00 0.00 O ATOM 1084 CB ASP A 386 1.234 -7.416 -11.978 1.00 0.00 C ATOM 1085 CG ASP A 386 0.876 -8.415 -13.057 1.00 0.00 C ATOM 1086 OD1 ASP A 386 0.973 -9.635 -12.809 1.00 0.00 O ATOM 1087 OD2 ASP A 386 0.467 -7.976 -14.155 1.00 0.00 O ATOM 0 H ASP A 386 2.098 -5.562 -10.651 1.00 0.00 H new ATOM 0 HA ASP A 386 3.256 -7.937 -11.402 1.00 0.00 H new ATOM 0 HB2 ASP A 386 0.896 -7.796 -11.014 1.00 0.00 H new ATOM 0 HB3 ASP A 386 0.695 -6.486 -12.160 1.00 0.00 H new ATOM 1092 N VAL A 387 3.058 -5.894 -13.982 1.00 0.00 N ATOM 1093 CA VAL A 387 3.502 -5.694 -15.359 1.00 0.00 C ATOM 1094 C VAL A 387 4.991 -5.316 -15.430 1.00 0.00 C ATOM 1095 O VAL A 387 5.553 -5.134 -16.511 1.00 0.00 O ATOM 1096 CB VAL A 387 2.640 -4.615 -16.063 1.00 0.00 C ATOM 1097 CG1 VAL A 387 2.919 -3.229 -15.494 1.00 0.00 C ATOM 1098 CG2 VAL A 387 2.843 -4.640 -17.572 1.00 0.00 C ATOM 0 H VAL A 387 2.530 -5.112 -13.594 1.00 0.00 H new ATOM 0 HA VAL A 387 3.375 -6.643 -15.880 1.00 0.00 H new ATOM 0 HB VAL A 387 1.594 -4.851 -15.867 1.00 0.00 H new ATOM 0 HG11 VAL A 387 2.300 -2.493 -16.008 1.00 0.00 H new ATOM 0 HG12 VAL A 387 2.686 -3.219 -14.429 1.00 0.00 H new ATOM 0 HG13 VAL A 387 3.971 -2.982 -15.638 1.00 0.00 H new ATOM 0 HG21 VAL A 387 2.224 -3.871 -18.035 1.00 0.00 H new ATOM 0 HG22 VAL A 387 3.891 -4.449 -17.801 1.00 0.00 H new ATOM 0 HG23 VAL A 387 2.559 -5.618 -17.961 1.00 0.00 H new ATOM 1108 N HIS A 388 5.641 -5.206 -14.275 1.00 0.00 N ATOM 1109 CA HIS A 388 7.075 -4.935 -14.240 1.00 0.00 C ATOM 1110 C HIS A 388 7.824 -6.228 -14.508 1.00 0.00 C ATOM 1111 O HIS A 388 8.895 -6.236 -15.106 1.00 0.00 O ATOM 1112 CB HIS A 388 7.494 -4.361 -12.887 1.00 0.00 C ATOM 1113 CG HIS A 388 8.786 -3.607 -12.923 1.00 0.00 C ATOM 1114 ND1 HIS A 388 8.849 -2.232 -12.774 1.00 0.00 N ATOM 1115 CD2 HIS A 388 10.064 -4.027 -13.087 1.00 0.00 C ATOM 1116 CE1 HIS A 388 10.121 -1.848 -12.850 1.00 0.00 C ATOM 1117 NE2 HIS A 388 10.871 -2.916 -13.040 1.00 0.00 N ATOM 0 H HIS A 388 5.203 -5.299 -13.359 1.00 0.00 H new ATOM 0 HA HIS A 388 7.315 -4.196 -15.005 1.00 0.00 H new ATOM 0 HB2 HIS A 388 6.708 -3.698 -12.525 1.00 0.00 H new ATOM 0 HB3 HIS A 388 7.580 -5.176 -12.168 1.00 0.00 H new ATOM 0 HD2 HIS A 388 10.388 -5.047 -13.229 1.00 0.00 H new ATOM 0 HE1 HIS A 388 10.479 -0.832 -12.770 1.00 0.00 H new ATOM 0 HE2 HIS A 388 11.886 -2.917 -13.136 1.00 0.00 H new ATOM 1125 N THR A 389 7.241 -7.314 -14.032 1.00 0.00 N ATOM 1126 CA THR A 389 7.732 -8.647 -14.315 1.00 0.00 C ATOM 1127 C THR A 389 7.002 -9.187 -15.542 1.00 0.00 C ATOM 1128 O THR A 389 6.209 -8.463 -16.138 1.00 0.00 O ATOM 1129 CB THR A 389 7.486 -9.575 -13.104 1.00 0.00 C ATOM 1130 OG1 THR A 389 6.095 -9.554 -12.740 1.00 0.00 O ATOM 1131 CG2 THR A 389 8.331 -9.146 -11.910 1.00 0.00 C ATOM 0 H THR A 389 6.412 -7.294 -13.437 1.00 0.00 H new ATOM 0 HA THR A 389 8.804 -8.610 -14.507 1.00 0.00 H new ATOM 0 HB THR A 389 7.773 -10.587 -13.389 1.00 0.00 H new ATOM 0 HG1 THR A 389 5.601 -8.987 -13.368 1.00 0.00 H new ATOM 0 HG21 THR A 389 8.140 -9.814 -11.070 1.00 0.00 H new ATOM 0 HG22 THR A 389 9.387 -9.191 -12.177 1.00 0.00 H new ATOM 0 HG23 THR A 389 8.071 -8.126 -11.628 1.00 0.00 H new ATOM 1139 N PRO A 390 7.282 -10.425 -15.979 1.00 0.00 N ATOM 1140 CA PRO A 390 6.459 -11.110 -16.977 1.00 0.00 C ATOM 1141 C PRO A 390 5.192 -11.695 -16.346 1.00 0.00 C ATOM 1142 O PRO A 390 5.247 -12.760 -15.724 1.00 0.00 O ATOM 1143 CB PRO A 390 7.369 -12.243 -17.488 1.00 0.00 C ATOM 1144 CG PRO A 390 8.705 -12.014 -16.857 1.00 0.00 C ATOM 1145 CD PRO A 390 8.444 -11.238 -15.602 1.00 0.00 C ATOM 0 HA PRO A 390 6.122 -10.438 -17.766 1.00 0.00 H new ATOM 0 HB2 PRO A 390 6.969 -13.219 -17.212 1.00 0.00 H new ATOM 0 HB3 PRO A 390 7.443 -12.224 -18.575 1.00 0.00 H new ATOM 0 HG2 PRO A 390 9.198 -12.960 -16.635 1.00 0.00 H new ATOM 0 HG3 PRO A 390 9.363 -11.461 -17.527 1.00 0.00 H new ATOM 0 HD2 PRO A 390 8.227 -11.891 -14.757 1.00 0.00 H new ATOM 0 HD3 PRO A 390 9.298 -10.622 -15.319 1.00 0.00 H new