USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=29 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 342 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.3) USER MOD Set 1.2: A 384 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 371 THR OG1 : rot -87:sc= 1.28 USER MOD Set 2.2: A 376 THR OG1 : rot 26:sc= -2.08! USER MOD Set 3.1: A 353 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 357 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00152) USER MOD Set 4.1: A 341 CYS SG : rot -149:sc= 0.789 USER MOD Set 4.2: A 346 CYS SG : rot -76:sc= -2.62! USER MOD Set 4.3: A 348 THR OG1 : rot -179:sc= 1.05! USER MOD Set 4.4: A 385 CYS SG : rot 140:sc= -6.15! USER MOD Set 4.5: A 388 HIS : no HE2:sc= -3.1! C(o=-10!,f=-17!) USER MOD Set 5.1: A 327 CYS SG : rot 173:sc= -1.25 USER MOD Set 5.2: A 330 CYS SG : rot 128:sc= -3.09! USER MOD Set 5.3: A 351 HIS : no HD1:sc= 1.29 K(o=-5.8,f=-19!) USER MOD Set 5.4: A 354 CYS SG : rot 174:sc= -2.72! USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 328 TYR OH : rot 177:sc= 0.978 USER MOD Single : A 331 LYS NZ :NH3+ -160:sc= -0.571 (180deg=-1.25) USER MOD Single : A 332 GLN : amide:sc= -0.234 K(o=-0.23,f=-2!) USER MOD Single : A 333 LYS NZ :NH3+ 167:sc= -0.027 (180deg=-0.32) USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 340 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.96) USER MOD Single : A 343 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 345 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 347 TYR OH : rot 180:sc= 0 USER MOD Single : A 356 GLN : amide:sc= -0.832 X(o=-0.83,f=-0.67) USER MOD Single : A 361 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 MET CE :methyl 164:sc= 0 (180deg=-0.479) USER MOD Single : A 363 LYS NZ :NH3+ 169:sc= 1.22 (180deg=1.15) USER MOD Single : A 364 MET CE :methyl -158:sc= -0.0111 (180deg=-0.128) USER MOD Single : A 368 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0295) USER MOD Single : A 375 THR OG1 : rot 180:sc= 0 USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 174:sc=-0.00323 (180deg=-0.067) USER MOD Single : A 382 THR OG1 : rot 180:sc= 0 USER MOD Single : A 389 THR OG1 : rot 82:sc= 0.00133 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 325 -1.895 8.430 -4.451 1.00 0.00 N ATOM 160 CA LEU A 325 -1.596 8.087 -5.837 1.00 0.00 C ATOM 161 C LEU A 325 -2.752 7.316 -6.465 1.00 0.00 C ATOM 162 O LEU A 325 -3.595 6.755 -5.762 1.00 0.00 O ATOM 163 CB LEU A 325 -0.315 7.246 -5.948 1.00 0.00 C ATOM 164 CG LEU A 325 0.995 7.914 -5.499 1.00 0.00 C ATOM 165 CD1 LEU A 325 1.065 9.362 -5.969 1.00 0.00 C ATOM 166 CD2 LEU A 325 1.170 7.811 -3.989 1.00 0.00 C ATOM 0 HA LEU A 325 -1.448 9.025 -6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -0.452 6.339 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -0.200 6.938 -6.987 1.00 0.00 H new ATOM 0 HG LEU A 325 1.821 7.378 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 325 2.002 9.808 -5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 325 1.014 9.394 -7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 325 0.229 9.921 -5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 325 2.104 8.291 -3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 325 0.336 8.307 -3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 325 1.195 6.761 -3.696 1.00 0.00 H new ATOM 178 N THR A 326 -2.780 7.291 -7.790 1.00 0.00 N ATOM 179 CA THR A 326 -3.810 6.573 -8.517 1.00 0.00 C ATOM 180 C THR A 326 -3.429 5.102 -8.676 1.00 0.00 C ATOM 181 O THR A 326 -2.333 4.770 -9.125 1.00 0.00 O ATOM 182 CB THR A 326 -4.052 7.196 -9.903 1.00 0.00 C ATOM 183 OG1 THR A 326 -4.145 8.625 -9.780 1.00 0.00 O ATOM 184 CG2 THR A 326 -5.333 6.654 -10.529 1.00 0.00 C ATOM 0 H THR A 326 -2.097 7.763 -8.383 1.00 0.00 H new ATOM 0 HA THR A 326 -4.731 6.645 -7.939 1.00 0.00 H new ATOM 0 HB THR A 326 -3.214 6.934 -10.549 1.00 0.00 H new ATOM 0 HG1 THR A 326 -4.297 9.020 -10.664 1.00 0.00 H new ATOM 0 HG21 THR A 326 -5.481 7.110 -11.508 1.00 0.00 H new ATOM 0 HG22 THR A 326 -5.254 5.573 -10.641 1.00 0.00 H new ATOM 0 HG23 THR A 326 -6.181 6.891 -9.886 1.00 0.00 H new ATOM 192 N CYS A 327 -4.350 4.237 -8.301 1.00 0.00 N ATOM 193 CA CYS A 327 -4.141 2.801 -8.339 1.00 0.00 C ATOM 194 C CYS A 327 -4.635 2.235 -9.665 1.00 0.00 C ATOM 195 O CYS A 327 -5.831 2.291 -9.954 1.00 0.00 O ATOM 196 CB CYS A 327 -4.894 2.167 -7.162 1.00 0.00 C ATOM 197 SG CYS A 327 -5.063 0.363 -7.218 1.00 0.00 S ATOM 0 H CYS A 327 -5.271 4.511 -7.959 1.00 0.00 H new ATOM 0 HA CYS A 327 -3.078 2.574 -8.254 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -4.381 2.437 -6.239 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -5.891 2.606 -7.113 1.00 0.00 H new ATOM 0 HG CYS A 327 -5.576 -0.060 -6.101 1.00 0.00 H new ATOM 202 N TYR A 328 -3.724 1.686 -10.471 1.00 0.00 N ATOM 203 CA TYR A 328 -4.101 1.163 -11.783 1.00 0.00 C ATOM 204 C TYR A 328 -5.014 -0.050 -11.625 1.00 0.00 C ATOM 205 O TYR A 328 -5.889 -0.301 -12.455 1.00 0.00 O ATOM 206 CB TYR A 328 -2.863 0.816 -12.625 1.00 0.00 C ATOM 207 CG TYR A 328 -2.075 -0.378 -12.135 1.00 0.00 C ATOM 208 CD1 TYR A 328 -1.157 -0.254 -11.102 1.00 0.00 C ATOM 209 CD2 TYR A 328 -2.245 -1.629 -12.714 1.00 0.00 C ATOM 210 CE1 TYR A 328 -0.432 -1.341 -10.659 1.00 0.00 C ATOM 211 CE2 TYR A 328 -1.525 -2.721 -12.275 1.00 0.00 C ATOM 212 CZ TYR A 328 -0.619 -2.572 -11.250 1.00 0.00 C ATOM 213 OH TYR A 328 0.097 -3.661 -10.810 1.00 0.00 O ATOM 0 H TYR A 328 -2.734 1.593 -10.242 1.00 0.00 H new ATOM 0 HA TYR A 328 -4.648 1.941 -12.315 1.00 0.00 H new ATOM 0 HB2 TYR A 328 -3.180 0.628 -13.651 1.00 0.00 H new ATOM 0 HB3 TYR A 328 -2.203 1.683 -12.649 1.00 0.00 H new ATOM 0 HD1 TYR A 328 -1.008 0.709 -10.637 1.00 0.00 H new ATOM 0 HD2 TYR A 328 -2.952 -1.749 -13.521 1.00 0.00 H new ATOM 0 HE1 TYR A 328 0.278 -1.228 -9.853 1.00 0.00 H new ATOM 0 HE2 TYR A 328 -1.672 -3.688 -12.733 1.00 0.00 H new ATOM 0 HH TYR A 328 -0.189 -4.460 -11.299 1.00 0.00 H new ATOM 223 N LEU A 329 -4.816 -0.792 -10.542 1.00 0.00 N ATOM 224 CA LEU A 329 -5.729 -1.865 -10.180 1.00 0.00 C ATOM 225 C LEU A 329 -6.881 -1.288 -9.366 1.00 0.00 C ATOM 226 O LEU A 329 -6.991 -1.549 -8.157 1.00 0.00 O ATOM 227 CB LEU A 329 -5.003 -2.962 -9.391 1.00 0.00 C ATOM 228 CG LEU A 329 -3.944 -3.738 -10.176 1.00 0.00 C ATOM 229 CD1 LEU A 329 -3.203 -4.706 -9.267 1.00 0.00 C ATOM 230 CD2 LEU A 329 -4.580 -4.483 -11.339 1.00 0.00 C ATOM 0 H LEU A 329 -4.032 -0.669 -9.901 1.00 0.00 H new ATOM 0 HA LEU A 329 -6.121 -2.321 -11.089 1.00 0.00 H new ATOM 0 HB2 LEU A 329 -4.527 -2.508 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 329 -5.744 -3.668 -9.016 1.00 0.00 H new ATOM 0 HG LEU A 329 -3.225 -3.023 -10.576 1.00 0.00 H new ATOM 0 HD11 LEU A 329 -2.455 -5.248 -9.845 1.00 0.00 H new ATOM 0 HD12 LEU A 329 -2.712 -4.151 -8.468 1.00 0.00 H new ATOM 0 HD13 LEU A 329 -3.911 -5.414 -8.836 1.00 0.00 H new ATOM 0 HD21 LEU A 329 -3.811 -5.029 -11.885 1.00 0.00 H new ATOM 0 HD22 LEU A 329 -5.323 -5.185 -10.959 1.00 0.00 H new ATOM 0 HD23 LEU A 329 -5.063 -3.770 -12.007 1.00 0.00 H new ATOM 242 N CYS A 330 -7.679 -0.454 -10.044 1.00 0.00 N ATOM 243 CA CYS A 330 -8.819 0.272 -9.469 1.00 0.00 C ATOM 244 C CYS A 330 -9.305 1.327 -10.455 1.00 0.00 C ATOM 245 O CYS A 330 -10.495 1.421 -10.749 1.00 0.00 O ATOM 246 CB CYS A 330 -8.451 0.992 -8.168 1.00 0.00 C ATOM 247 SG CYS A 330 -8.587 -0.010 -6.672 1.00 0.00 S ATOM 0 H CYS A 330 -7.546 -0.260 -11.036 1.00 0.00 H new ATOM 0 HA CYS A 330 -9.591 -0.468 -9.259 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -7.427 1.357 -8.250 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -9.093 1.866 -8.061 1.00 0.00 H new ATOM 0 HG CYS A 330 -7.474 0.055 -6.004 1.00 0.00 H new ATOM 252 N LYS A 331 -8.345 2.122 -10.934 1.00 0.00 N ATOM 253 CA LYS A 331 -8.586 3.285 -11.793 1.00 0.00 C ATOM 254 C LYS A 331 -9.080 4.454 -10.945 1.00 0.00 C ATOM 255 O LYS A 331 -9.621 5.434 -11.455 1.00 0.00 O ATOM 256 CB LYS A 331 -9.564 2.982 -12.937 1.00 0.00 C ATOM 257 CG LYS A 331 -9.384 3.905 -14.138 1.00 0.00 C ATOM 258 CD LYS A 331 -10.440 3.677 -15.212 1.00 0.00 C ATOM 259 CE LYS A 331 -11.670 4.555 -15.006 1.00 0.00 C ATOM 260 NZ LYS A 331 -12.422 4.204 -13.772 1.00 0.00 N ATOM 0 H LYS A 331 -7.357 1.972 -10.731 1.00 0.00 H new ATOM 0 HA LYS A 331 -7.640 3.552 -12.264 1.00 0.00 H new ATOM 0 HB2 LYS A 331 -9.430 1.949 -13.257 1.00 0.00 H new ATOM 0 HB3 LYS A 331 -10.585 3.072 -12.567 1.00 0.00 H new ATOM 0 HG2 LYS A 331 -9.427 4.942 -13.805 1.00 0.00 H new ATOM 0 HG3 LYS A 331 -8.394 3.749 -14.567 1.00 0.00 H new ATOM 0 HD2 LYS A 331 -10.009 3.882 -16.192 1.00 0.00 H new ATOM 0 HD3 LYS A 331 -10.739 2.629 -15.208 1.00 0.00 H new ATOM 0 HE2 LYS A 331 -11.362 5.599 -14.955 1.00 0.00 H new ATOM 0 HE3 LYS A 331 -12.329 4.459 -15.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 -13.393 4.569 -13.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 -12.447 3.170 -13.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 -11.952 4.628 -12.947 1.00 0.00 H new ATOM 274 N GLN A 332 -8.882 4.333 -9.635 1.00 0.00 N ATOM 275 CA GLN A 332 -9.173 5.384 -8.707 1.00 0.00 C ATOM 276 C GLN A 332 -7.984 5.531 -7.768 1.00 0.00 C ATOM 277 O GLN A 332 -6.871 5.136 -8.107 1.00 0.00 O ATOM 278 CB GLN A 332 -10.446 5.060 -7.932 1.00 0.00 C ATOM 279 CG GLN A 332 -10.365 3.779 -7.129 1.00 0.00 C ATOM 280 CD GLN A 332 -11.141 3.882 -5.843 1.00 0.00 C ATOM 281 OE1 GLN A 332 -11.255 4.958 -5.262 1.00 0.00 O ATOM 282 NE2 GLN A 332 -11.680 2.774 -5.391 1.00 0.00 N ATOM 0 H GLN A 332 -8.511 3.489 -9.199 1.00 0.00 H new ATOM 0 HA GLN A 332 -9.338 6.324 -9.234 1.00 0.00 H new ATOM 0 HB2 GLN A 332 -10.670 5.887 -7.258 1.00 0.00 H new ATOM 0 HB3 GLN A 332 -11.278 4.986 -8.633 1.00 0.00 H new ATOM 0 HG2 GLN A 332 -10.752 2.951 -7.723 1.00 0.00 H new ATOM 0 HG3 GLN A 332 -9.322 3.552 -6.908 1.00 0.00 H new ATOM 0 HE21 GLN A 332 -11.560 1.902 -5.906 1.00 0.00 H new ATOM 0 HE22 GLN A 332 -12.219 2.785 -4.525 1.00 0.00 H new ATOM 291 N LYS A 333 -8.223 6.038 -6.583 1.00 0.00 N ATOM 292 CA LYS A 333 -7.132 6.388 -5.680 1.00 0.00 C ATOM 293 C LYS A 333 -7.372 5.909 -4.244 1.00 0.00 C ATOM 294 O LYS A 333 -6.654 5.034 -3.752 1.00 0.00 O ATOM 295 CB LYS A 333 -6.905 7.905 -5.711 1.00 0.00 C ATOM 296 CG LYS A 333 -8.192 8.710 -5.615 1.00 0.00 C ATOM 297 CD LYS A 333 -7.945 10.202 -5.722 1.00 0.00 C ATOM 298 CE LYS A 333 -9.256 10.970 -5.719 1.00 0.00 C ATOM 299 NZ LYS A 333 -10.084 10.639 -4.531 1.00 0.00 N ATOM 0 H LYS A 333 -9.156 6.220 -6.214 1.00 0.00 H new ATOM 0 HA LYS A 333 -6.238 5.873 -6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 333 -6.248 8.184 -4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 333 -6.388 8.169 -6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 333 -8.873 8.399 -6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 333 -8.685 8.492 -4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 333 -7.323 10.532 -4.890 1.00 0.00 H new ATOM 0 HD3 LYS A 333 -7.394 10.419 -6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 333 -9.051 12.040 -5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 333 -9.814 10.741 -6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 333 -10.857 11.330 -4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 333 -10.483 9.685 -4.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 333 -9.493 10.670 -3.676 1.00 0.00 H new ATOM 313 N GLY A 334 -8.390 6.447 -3.583 1.00 0.00 N ATOM 314 CA GLY A 334 -8.527 6.243 -2.154 1.00 0.00 C ATOM 315 C GLY A 334 -9.478 5.125 -1.787 1.00 0.00 C ATOM 316 O GLY A 334 -10.485 4.909 -2.459 1.00 0.00 O ATOM 0 H GLY A 334 -9.120 7.018 -4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 334 -7.546 6.027 -1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 334 -8.875 7.169 -1.696 1.00 0.00 H new ATOM 320 N VAL A 335 -9.146 4.428 -0.703 1.00 0.00 N ATOM 321 CA VAL A 335 -9.970 3.344 -0.170 1.00 0.00 C ATOM 322 C VAL A 335 -9.261 2.695 1.020 1.00 0.00 C ATOM 323 O VAL A 335 -9.898 2.206 1.952 1.00 0.00 O ATOM 324 CB VAL A 335 -10.299 2.264 -1.238 1.00 0.00 C ATOM 325 CG1 VAL A 335 -9.051 1.513 -1.684 1.00 0.00 C ATOM 326 CG2 VAL A 335 -11.349 1.294 -0.717 1.00 0.00 C ATOM 0 H VAL A 335 -8.295 4.599 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 335 -10.916 3.782 0.148 1.00 0.00 H new ATOM 0 HB VAL A 335 -10.702 2.779 -2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -9.323 0.767 -2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -8.338 2.216 -2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -8.598 1.018 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 335 -11.564 0.546 -1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 335 -10.975 0.800 0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 335 -12.261 1.840 -0.476 1.00 0.00 H new ATOM 336 N GLY A 336 -7.933 2.715 0.986 1.00 0.00 N ATOM 337 CA GLY A 336 -7.151 2.122 2.049 1.00 0.00 C ATOM 338 C GLY A 336 -5.727 2.633 2.057 1.00 0.00 C ATOM 339 O GLY A 336 -5.461 3.736 2.535 1.00 0.00 O ATOM 0 H GLY A 336 -7.384 3.134 0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -7.620 2.339 3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -7.147 1.038 1.935 1.00 0.00 H new ATOM 343 N ALA A 337 -4.814 1.849 1.504 1.00 0.00 N ATOM 344 CA ALA A 337 -3.407 2.217 1.484 1.00 0.00 C ATOM 345 C ALA A 337 -2.826 2.031 0.091 1.00 0.00 C ATOM 346 O ALA A 337 -3.204 1.102 -0.635 1.00 0.00 O ATOM 347 CB ALA A 337 -2.629 1.395 2.500 1.00 0.00 C ATOM 0 H ALA A 337 -5.023 0.953 1.063 1.00 0.00 H new ATOM 0 HA ALA A 337 -3.322 3.270 1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 337 -1.578 1.682 2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 337 -3.029 1.577 3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 337 -2.722 0.336 2.259 1.00 0.00 H new ATOM 353 N SER A 338 -1.923 2.919 -0.284 1.00 0.00 N ATOM 354 CA SER A 338 -1.313 2.877 -1.598 1.00 0.00 C ATOM 355 C SER A 338 0.158 2.480 -1.511 1.00 0.00 C ATOM 356 O SER A 338 0.862 2.858 -0.571 1.00 0.00 O ATOM 357 CB SER A 338 -1.463 4.237 -2.280 1.00 0.00 C ATOM 358 OG SER A 338 -1.090 5.290 -1.405 1.00 0.00 O ATOM 0 H SER A 338 -1.595 3.682 0.308 1.00 0.00 H new ATOM 0 HA SER A 338 -1.824 2.120 -2.193 1.00 0.00 H new ATOM 0 HB2 SER A 338 -0.844 4.268 -3.177 1.00 0.00 H new ATOM 0 HB3 SER A 338 -2.496 4.375 -2.601 1.00 0.00 H new ATOM 0 HG SER A 338 -1.193 6.149 -1.865 1.00 0.00 H new ATOM 364 N ILE A 339 0.600 1.709 -2.490 1.00 0.00 N ATOM 365 CA ILE A 339 1.990 1.297 -2.605 1.00 0.00 C ATOM 366 C ILE A 339 2.487 1.612 -4.015 1.00 0.00 C ATOM 367 O ILE A 339 1.764 1.411 -4.994 1.00 0.00 O ATOM 368 CB ILE A 339 2.160 -0.215 -2.287 1.00 0.00 C ATOM 369 CG1 ILE A 339 3.588 -0.694 -2.569 1.00 0.00 C ATOM 370 CG2 ILE A 339 1.157 -1.051 -3.069 1.00 0.00 C ATOM 371 CD1 ILE A 339 4.626 -0.103 -1.639 1.00 0.00 C ATOM 0 H ILE A 339 0.001 1.349 -3.233 1.00 0.00 H new ATOM 0 HA ILE A 339 2.584 1.848 -1.876 1.00 0.00 H new ATOM 0 HB ILE A 339 1.967 -0.346 -1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 339 3.619 -1.781 -2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 339 3.849 -0.442 -3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 339 1.296 -2.105 -2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 339 0.144 -0.749 -2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 339 1.311 -0.899 -4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 339 5.611 -0.489 -1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 339 4.625 0.983 -1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 339 4.391 -0.376 -0.610 1.00 0.00 H new ATOM 383 N GLN A 340 3.700 2.130 -4.113 1.00 0.00 N ATOM 384 CA GLN A 340 4.254 2.528 -5.390 1.00 0.00 C ATOM 385 C GLN A 340 5.407 1.601 -5.752 1.00 0.00 C ATOM 386 O GLN A 340 6.356 1.441 -4.984 1.00 0.00 O ATOM 387 CB GLN A 340 4.715 3.988 -5.328 1.00 0.00 C ATOM 388 CG GLN A 340 4.863 4.643 -6.693 1.00 0.00 C ATOM 389 CD GLN A 340 5.116 6.107 -6.616 1.00 0.00 C ATOM 390 OE1 GLN A 340 5.633 6.631 -5.628 1.00 0.00 O ATOM 391 NE2 GLN A 340 4.806 6.768 -7.692 1.00 0.00 N ATOM 0 H GLN A 340 4.320 2.284 -3.318 1.00 0.00 H new ATOM 0 HA GLN A 340 3.491 2.450 -6.164 1.00 0.00 H new ATOM 0 HB2 GLN A 340 4.000 4.560 -4.736 1.00 0.00 H new ATOM 0 HB3 GLN A 340 5.671 4.036 -4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 340 5.683 4.167 -7.230 1.00 0.00 H new ATOM 0 HG3 GLN A 340 3.957 4.467 -7.273 1.00 0.00 H new ATOM 0 HE21 GLN A 340 4.379 6.285 -8.482 1.00 0.00 H new ATOM 0 HE22 GLN A 340 4.990 7.770 -7.746 1.00 0.00 H new ATOM 400 N CYS A 341 5.295 0.970 -6.909 1.00 0.00 N ATOM 401 CA CYS A 341 6.272 -0.011 -7.351 1.00 0.00 C ATOM 402 C CYS A 341 7.632 0.627 -7.601 1.00 0.00 C ATOM 403 O CYS A 341 7.734 1.816 -7.914 1.00 0.00 O ATOM 404 CB CYS A 341 5.791 -0.728 -8.615 1.00 0.00 C ATOM 405 SG CYS A 341 6.447 -0.064 -10.165 1.00 0.00 S ATOM 0 H CYS A 341 4.529 1.122 -7.565 1.00 0.00 H new ATOM 0 HA CYS A 341 6.381 -0.742 -6.550 1.00 0.00 H new ATOM 0 HB2 CYS A 341 6.064 -1.781 -8.544 1.00 0.00 H new ATOM 0 HB3 CYS A 341 4.702 -0.682 -8.649 1.00 0.00 H new ATOM 0 HG CYS A 341 5.575 -0.236 -11.114 1.00 0.00 H new ATOM 410 N HIS A 342 8.655 -0.205 -7.500 1.00 0.00 N ATOM 411 CA HIS A 342 10.042 0.223 -7.574 1.00 0.00 C ATOM 412 C HIS A 342 10.420 0.582 -9.016 1.00 0.00 C ATOM 413 O HIS A 342 9.638 0.358 -9.946 1.00 0.00 O ATOM 414 CB HIS A 342 10.931 -0.903 -7.023 1.00 0.00 C ATOM 415 CG HIS A 342 12.322 -0.491 -6.634 1.00 0.00 C ATOM 416 ND1 HIS A 342 12.620 0.106 -5.428 1.00 0.00 N ATOM 417 CD2 HIS A 342 13.502 -0.638 -7.278 1.00 0.00 C ATOM 418 CE1 HIS A 342 13.923 0.306 -5.348 1.00 0.00 C ATOM 419 NE2 HIS A 342 14.483 -0.138 -6.460 1.00 0.00 N ATOM 0 H HIS A 342 8.544 -1.210 -7.363 1.00 0.00 H new ATOM 0 HA HIS A 342 10.188 1.121 -6.973 1.00 0.00 H new ATOM 0 HB2 HIS A 342 10.441 -1.337 -6.151 1.00 0.00 H new ATOM 0 HB3 HIS A 342 11.000 -1.690 -7.774 1.00 0.00 H new ATOM 0 HD2 HIS A 342 13.646 -1.070 -8.257 1.00 0.00 H new ATOM 0 HE1 HIS A 342 14.443 0.756 -4.515 1.00 0.00 H new ATOM 0 HE2 HIS A 342 15.480 -0.113 -6.674 1.00 0.00 H new ATOM 428 N LYS A 343 11.630 1.117 -9.170 1.00 0.00 N ATOM 429 CA LYS A 343 12.154 1.635 -10.434 1.00 0.00 C ATOM 430 C LYS A 343 11.583 3.026 -10.693 1.00 0.00 C ATOM 431 O LYS A 343 10.407 3.180 -11.031 1.00 0.00 O ATOM 432 CB LYS A 343 11.872 0.686 -11.611 1.00 0.00 C ATOM 433 CG LYS A 343 12.773 0.903 -12.821 1.00 0.00 C ATOM 434 CD LYS A 343 14.050 0.058 -12.751 1.00 0.00 C ATOM 435 CE LYS A 343 14.919 0.398 -11.545 1.00 0.00 C ATOM 436 NZ LYS A 343 16.175 -0.397 -11.519 1.00 0.00 N ATOM 0 H LYS A 343 12.291 1.205 -8.398 1.00 0.00 H new ATOM 0 HA LYS A 343 13.238 1.705 -10.350 1.00 0.00 H new ATOM 0 HB2 LYS A 343 11.985 -0.343 -11.268 1.00 0.00 H new ATOM 0 HB3 LYS A 343 10.834 0.807 -11.919 1.00 0.00 H new ATOM 0 HG2 LYS A 343 12.224 0.655 -13.730 1.00 0.00 H new ATOM 0 HG3 LYS A 343 13.040 1.958 -12.888 1.00 0.00 H new ATOM 0 HD2 LYS A 343 13.780 -0.997 -12.712 1.00 0.00 H new ATOM 0 HD3 LYS A 343 14.628 0.206 -13.663 1.00 0.00 H new ATOM 0 HE2 LYS A 343 15.163 1.460 -11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 343 14.356 0.215 -10.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 343 16.735 -0.134 -10.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 343 15.944 -1.410 -11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 343 16.726 -0.204 -12.380 1.00 0.00 H new ATOM 450 N ALA A 344 12.430 4.036 -10.520 1.00 0.00 N ATOM 451 CA ALA A 344 12.012 5.435 -10.582 1.00 0.00 C ATOM 452 C ALA A 344 11.474 5.822 -11.955 1.00 0.00 C ATOM 453 O ALA A 344 10.654 6.727 -12.073 1.00 0.00 O ATOM 454 CB ALA A 344 13.172 6.340 -10.202 1.00 0.00 C ATOM 0 H ALA A 344 13.425 3.909 -10.333 1.00 0.00 H new ATOM 0 HA ALA A 344 11.196 5.561 -9.870 1.00 0.00 H new ATOM 0 HB1 ALA A 344 12.852 7.381 -10.251 1.00 0.00 H new ATOM 0 HB2 ALA A 344 13.498 6.107 -9.188 1.00 0.00 H new ATOM 0 HB3 ALA A 344 13.999 6.182 -10.894 1.00 0.00 H new ATOM 460 N ASN A 345 11.934 5.137 -12.994 1.00 0.00 N ATOM 461 CA ASN A 345 11.470 5.413 -14.350 1.00 0.00 C ATOM 462 C ASN A 345 10.149 4.707 -14.630 1.00 0.00 C ATOM 463 O ASN A 345 9.671 4.677 -15.767 1.00 0.00 O ATOM 464 CB ASN A 345 12.516 4.989 -15.384 1.00 0.00 C ATOM 465 CG ASN A 345 13.698 5.938 -15.446 1.00 0.00 C ATOM 466 OD1 ASN A 345 13.674 6.930 -16.172 1.00 0.00 O ATOM 467 ND2 ASN A 345 14.744 5.636 -14.701 1.00 0.00 N ATOM 0 H ASN A 345 12.625 4.390 -12.926 1.00 0.00 H new ATOM 0 HA ASN A 345 11.315 6.489 -14.431 1.00 0.00 H new ATOM 0 HB2 ASN A 345 12.872 3.987 -15.144 1.00 0.00 H new ATOM 0 HB3 ASN A 345 12.048 4.934 -16.367 1.00 0.00 H new ATOM 0 HD21 ASN A 345 15.570 6.234 -14.715 1.00 0.00 H new ATOM 0 HD22 ASN A 345 14.727 4.804 -14.111 1.00 0.00 H new ATOM 474 N CYS A 346 9.559 4.146 -13.590 1.00 0.00 N ATOM 475 CA CYS A 346 8.300 3.443 -13.713 1.00 0.00 C ATOM 476 C CYS A 346 7.277 4.006 -12.736 1.00 0.00 C ATOM 477 O CYS A 346 6.262 4.560 -13.158 1.00 0.00 O ATOM 478 CB CYS A 346 8.507 1.949 -13.464 1.00 0.00 C ATOM 479 SG CYS A 346 6.990 0.962 -13.533 1.00 0.00 S ATOM 0 H CYS A 346 9.938 4.166 -12.643 1.00 0.00 H new ATOM 0 HA CYS A 346 7.921 3.582 -14.725 1.00 0.00 H new ATOM 0 HB2 CYS A 346 9.210 1.564 -14.202 1.00 0.00 H new ATOM 0 HB3 CYS A 346 8.968 1.817 -12.485 1.00 0.00 H new ATOM 0 HG CYS A 346 6.310 1.134 -12.438 1.00 0.00 H new ATOM 484 N TYR A 347 7.564 3.860 -11.438 1.00 0.00 N ATOM 485 CA TYR A 347 6.666 4.309 -10.369 1.00 0.00 C ATOM 486 C TYR A 347 5.213 3.914 -10.632 1.00 0.00 C ATOM 487 O TYR A 347 4.405 4.730 -11.067 1.00 0.00 O ATOM 488 CB TYR A 347 6.762 5.825 -10.161 1.00 0.00 C ATOM 489 CG TYR A 347 7.946 6.268 -9.325 1.00 0.00 C ATOM 490 CD1 TYR A 347 8.355 5.534 -8.216 1.00 0.00 C ATOM 491 CD2 TYR A 347 8.639 7.432 -9.633 1.00 0.00 C ATOM 492 CE1 TYR A 347 9.422 5.946 -7.444 1.00 0.00 C ATOM 493 CE2 TYR A 347 9.704 7.852 -8.861 1.00 0.00 C ATOM 494 CZ TYR A 347 10.092 7.105 -7.767 1.00 0.00 C ATOM 495 OH TYR A 347 11.148 7.524 -6.992 1.00 0.00 O ATOM 0 H TYR A 347 8.424 3.428 -11.100 1.00 0.00 H new ATOM 0 HA TYR A 347 6.994 3.805 -9.460 1.00 0.00 H new ATOM 0 HB2 TYR A 347 6.819 6.310 -11.135 1.00 0.00 H new ATOM 0 HB3 TYR A 347 5.846 6.173 -9.684 1.00 0.00 H new ATOM 0 HD1 TYR A 347 7.829 4.627 -7.955 1.00 0.00 H new ATOM 0 HD2 TYR A 347 8.340 8.018 -10.490 1.00 0.00 H new ATOM 0 HE1 TYR A 347 9.730 5.362 -6.590 1.00 0.00 H new ATOM 0 HE2 TYR A 347 10.231 8.761 -9.112 1.00 0.00 H new ATOM 0 HH TYR A 347 11.511 8.358 -7.357 1.00 0.00 H new ATOM 505 N THR A 348 4.880 2.665 -10.363 1.00 0.00 N ATOM 506 CA THR A 348 3.525 2.190 -10.603 1.00 0.00 C ATOM 507 C THR A 348 2.752 2.126 -9.288 1.00 0.00 C ATOM 508 O THR A 348 3.146 1.407 -8.377 1.00 0.00 O ATOM 509 CB THR A 348 3.522 0.797 -11.262 1.00 0.00 C ATOM 510 OG1 THR A 348 4.571 0.700 -12.250 1.00 0.00 O ATOM 511 CG2 THR A 348 2.182 0.535 -11.927 1.00 0.00 C ATOM 0 H THR A 348 5.519 1.966 -9.983 1.00 0.00 H new ATOM 0 HA THR A 348 3.045 2.894 -11.283 1.00 0.00 H new ATOM 0 HB THR A 348 3.695 0.053 -10.484 1.00 0.00 H new ATOM 0 HG1 THR A 348 4.541 -0.183 -12.673 1.00 0.00 H new ATOM 0 HG21 THR A 348 2.192 -0.452 -12.389 1.00 0.00 H new ATOM 0 HG22 THR A 348 1.390 0.578 -11.179 1.00 0.00 H new ATOM 0 HG23 THR A 348 2.001 1.291 -12.691 1.00 0.00 H new ATOM 519 N ALA A 349 1.658 2.863 -9.194 1.00 0.00 N ATOM 520 CA ALA A 349 0.927 2.963 -7.940 1.00 0.00 C ATOM 521 C ALA A 349 -0.299 2.056 -7.920 1.00 0.00 C ATOM 522 O ALA A 349 -1.045 1.964 -8.898 1.00 0.00 O ATOM 523 CB ALA A 349 0.521 4.404 -7.687 1.00 0.00 C ATOM 0 H ALA A 349 1.258 3.398 -9.965 1.00 0.00 H new ATOM 0 HA ALA A 349 1.592 2.629 -7.143 1.00 0.00 H new ATOM 0 HB1 ALA A 349 -0.026 4.468 -6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 349 1.412 5.029 -7.632 1.00 0.00 H new ATOM 0 HB3 ALA A 349 -0.116 4.751 -8.501 1.00 0.00 H new ATOM 529 N PHE A 350 -0.484 1.372 -6.798 1.00 0.00 N ATOM 530 CA PHE A 350 -1.625 0.495 -6.597 1.00 0.00 C ATOM 531 C PHE A 350 -1.909 0.336 -5.106 1.00 0.00 C ATOM 532 O PHE A 350 -1.318 1.029 -4.281 1.00 0.00 O ATOM 533 CB PHE A 350 -1.401 -0.871 -7.273 1.00 0.00 C ATOM 534 CG PHE A 350 -0.076 -1.527 -6.969 1.00 0.00 C ATOM 535 CD1 PHE A 350 1.105 -1.020 -7.493 1.00 0.00 C ATOM 536 CD2 PHE A 350 -0.012 -2.666 -6.183 1.00 0.00 C ATOM 537 CE1 PHE A 350 2.316 -1.629 -7.235 1.00 0.00 C ATOM 538 CE2 PHE A 350 1.201 -3.277 -5.921 1.00 0.00 C ATOM 539 CZ PHE A 350 2.364 -2.757 -6.448 1.00 0.00 C ATOM 0 H PHE A 350 0.154 1.411 -6.003 1.00 0.00 H new ATOM 0 HA PHE A 350 -2.498 0.949 -7.066 1.00 0.00 H new ATOM 0 HB2 PHE A 350 -2.201 -1.545 -6.968 1.00 0.00 H new ATOM 0 HB3 PHE A 350 -1.486 -0.743 -8.352 1.00 0.00 H new ATOM 0 HD1 PHE A 350 1.076 -0.135 -8.112 1.00 0.00 H new ATOM 0 HD2 PHE A 350 -0.919 -3.082 -5.770 1.00 0.00 H new ATOM 0 HE1 PHE A 350 3.226 -1.221 -7.650 1.00 0.00 H new ATOM 0 HE2 PHE A 350 1.237 -4.162 -5.303 1.00 0.00 H new ATOM 0 HZ PHE A 350 3.311 -3.234 -6.244 1.00 0.00 H new ATOM 549 N HIS A 351 -2.822 -0.558 -4.753 1.00 0.00 N ATOM 550 CA HIS A 351 -3.191 -0.745 -3.352 1.00 0.00 C ATOM 551 C HIS A 351 -2.534 -1.987 -2.783 1.00 0.00 C ATOM 552 O HIS A 351 -2.223 -2.923 -3.518 1.00 0.00 O ATOM 553 CB HIS A 351 -4.708 -0.873 -3.180 1.00 0.00 C ATOM 554 CG HIS A 351 -5.472 0.375 -3.481 1.00 0.00 C ATOM 555 ND1 HIS A 351 -6.444 0.445 -4.466 1.00 0.00 N ATOM 556 CD2 HIS A 351 -5.423 1.603 -2.906 1.00 0.00 C ATOM 557 CE1 HIS A 351 -6.953 1.678 -4.474 1.00 0.00 C ATOM 558 NE2 HIS A 351 -6.349 2.389 -3.544 1.00 0.00 N ATOM 0 H HIS A 351 -3.318 -1.161 -5.409 1.00 0.00 H new ATOM 0 HA HIS A 351 -2.844 0.138 -2.815 1.00 0.00 H new ATOM 0 HB2 HIS A 351 -5.069 -1.671 -3.829 1.00 0.00 H new ATOM 0 HB3 HIS A 351 -4.921 -1.176 -2.155 1.00 0.00 H new ATOM 0 HD2 HIS A 351 -4.775 1.906 -2.096 1.00 0.00 H new ATOM 0 HE1 HIS A 351 -7.731 2.034 -5.133 1.00 0.00 H new ATOM 0 HE2 HIS A 351 -6.539 3.368 -3.332 1.00 0.00 H new ATOM 566 N VAL A 352 -2.354 -2.003 -1.471 1.00 0.00 N ATOM 567 CA VAL A 352 -1.809 -3.169 -0.786 1.00 0.00 C ATOM 568 C VAL A 352 -2.717 -4.381 -1.000 1.00 0.00 C ATOM 569 O VAL A 352 -2.245 -5.496 -1.221 1.00 0.00 O ATOM 570 CB VAL A 352 -1.642 -2.905 0.726 1.00 0.00 C ATOM 571 CG1 VAL A 352 -1.003 -4.097 1.421 1.00 0.00 C ATOM 572 CG2 VAL A 352 -0.820 -1.645 0.960 1.00 0.00 C ATOM 0 H VAL A 352 -2.578 -1.220 -0.856 1.00 0.00 H new ATOM 0 HA VAL A 352 -0.825 -3.373 -1.209 1.00 0.00 H new ATOM 0 HB VAL A 352 -2.633 -2.757 1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 352 -0.897 -3.884 2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 352 -1.633 -4.976 1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 352 -0.020 -4.286 0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 352 -0.712 -1.474 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 352 0.166 -1.765 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 352 -1.324 -0.792 0.506 1.00 0.00 H new ATOM 582 N THR A 353 -4.027 -4.143 -0.959 1.00 0.00 N ATOM 583 CA THR A 353 -5.006 -5.194 -1.208 1.00 0.00 C ATOM 584 C THR A 353 -4.893 -5.711 -2.645 1.00 0.00 C ATOM 585 O THR A 353 -5.150 -6.881 -2.915 1.00 0.00 O ATOM 586 CB THR A 353 -6.452 -4.703 -0.935 1.00 0.00 C ATOM 587 OG1 THR A 353 -7.388 -5.774 -1.110 1.00 0.00 O ATOM 588 CG2 THR A 353 -6.831 -3.545 -1.850 1.00 0.00 C ATOM 0 H THR A 353 -4.433 -3.230 -0.755 1.00 0.00 H new ATOM 0 HA THR A 353 -4.788 -6.010 -0.519 1.00 0.00 H new ATOM 0 HB THR A 353 -6.487 -4.354 0.097 1.00 0.00 H new ATOM 0 HG1 THR A 353 -8.295 -5.448 -0.933 1.00 0.00 H new ATOM 0 HG21 THR A 353 -7.850 -3.227 -1.631 1.00 0.00 H new ATOM 0 HG22 THR A 353 -6.147 -2.712 -1.685 1.00 0.00 H new ATOM 0 HG23 THR A 353 -6.767 -3.867 -2.889 1.00 0.00 H new ATOM 596 N CYS A 354 -4.472 -4.844 -3.560 1.00 0.00 N ATOM 597 CA CYS A 354 -4.302 -5.233 -4.949 1.00 0.00 C ATOM 598 C CYS A 354 -3.073 -6.123 -5.089 1.00 0.00 C ATOM 599 O CYS A 354 -3.072 -7.084 -5.853 1.00 0.00 O ATOM 600 CB CYS A 354 -4.157 -3.998 -5.842 1.00 0.00 C ATOM 601 SG CYS A 354 -5.565 -2.859 -5.793 1.00 0.00 S ATOM 0 H CYS A 354 -4.243 -3.870 -3.362 1.00 0.00 H new ATOM 0 HA CYS A 354 -5.186 -5.786 -5.266 1.00 0.00 H new ATOM 0 HB2 CYS A 354 -3.258 -3.456 -5.547 1.00 0.00 H new ATOM 0 HB3 CYS A 354 -4.008 -4.326 -6.871 1.00 0.00 H new ATOM 0 HG CYS A 354 -5.281 -1.788 -6.473 1.00 0.00 H new ATOM 606 N ALA A 355 -2.040 -5.803 -4.321 1.00 0.00 N ATOM 607 CA ALA A 355 -0.798 -6.560 -4.344 1.00 0.00 C ATOM 608 C ALA A 355 -1.006 -7.971 -3.821 1.00 0.00 C ATOM 609 O ALA A 355 -0.565 -8.941 -4.435 1.00 0.00 O ATOM 610 CB ALA A 355 0.266 -5.849 -3.529 1.00 0.00 C ATOM 0 H ALA A 355 -2.040 -5.018 -3.670 1.00 0.00 H new ATOM 0 HA ALA A 355 -0.464 -6.629 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 355 1.190 -6.426 -3.555 1.00 0.00 H new ATOM 0 HB2 ALA A 355 0.445 -4.859 -3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 355 -0.071 -5.750 -2.497 1.00 0.00 H new ATOM 616 N GLN A 356 -1.682 -8.079 -2.683 1.00 0.00 N ATOM 617 CA GLN A 356 -1.981 -9.376 -2.089 1.00 0.00 C ATOM 618 C GLN A 356 -2.903 -10.175 -2.996 1.00 0.00 C ATOM 619 O GLN A 356 -2.809 -11.401 -3.077 1.00 0.00 O ATOM 620 CB GLN A 356 -2.643 -9.198 -0.723 1.00 0.00 C ATOM 621 CG GLN A 356 -1.763 -8.506 0.303 1.00 0.00 C ATOM 622 CD GLN A 356 -2.477 -8.311 1.623 1.00 0.00 C ATOM 623 OE1 GLN A 356 -3.356 -9.092 1.985 1.00 0.00 O ATOM 624 NE2 GLN A 356 -2.106 -7.276 2.353 1.00 0.00 N ATOM 0 H GLN A 356 -2.034 -7.282 -2.153 1.00 0.00 H new ATOM 0 HA GLN A 356 -1.043 -9.917 -1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 356 -3.560 -8.623 -0.847 1.00 0.00 H new ATOM 0 HB3 GLN A 356 -2.930 -10.177 -0.339 1.00 0.00 H new ATOM 0 HG2 GLN A 356 -0.860 -9.095 0.463 1.00 0.00 H new ATOM 0 HG3 GLN A 356 -1.447 -7.538 -0.085 1.00 0.00 H new ATOM 0 HE21 GLN A 356 -1.373 -6.652 2.017 1.00 0.00 H new ATOM 0 HE22 GLN A 356 -2.553 -7.101 3.253 1.00 0.00 H new ATOM 633 N LYS A 357 -3.788 -9.462 -3.678 1.00 0.00 N ATOM 634 CA LYS A 357 -4.775 -10.076 -4.550 1.00 0.00 C ATOM 635 C LYS A 357 -4.108 -10.657 -5.797 1.00 0.00 C ATOM 636 O LYS A 357 -4.455 -11.746 -6.246 1.00 0.00 O ATOM 637 CB LYS A 357 -5.817 -9.033 -4.949 1.00 0.00 C ATOM 638 CG LYS A 357 -7.200 -9.599 -5.217 1.00 0.00 C ATOM 639 CD LYS A 357 -8.163 -8.504 -5.662 1.00 0.00 C ATOM 640 CE LYS A 357 -8.254 -7.367 -4.646 1.00 0.00 C ATOM 641 NZ LYS A 357 -8.818 -7.811 -3.343 1.00 0.00 N ATOM 0 H LYS A 357 -3.841 -8.444 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 357 -5.262 -10.891 -4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 357 -5.890 -8.288 -4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 357 -5.470 -8.514 -5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 357 -7.139 -10.369 -5.986 1.00 0.00 H new ATOM 0 HG3 LYS A 357 -7.581 -10.079 -4.316 1.00 0.00 H new ATOM 0 HD2 LYS A 357 -7.838 -8.105 -6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 357 -9.153 -8.933 -5.814 1.00 0.00 H new ATOM 0 HE2 LYS A 357 -7.261 -6.948 -4.484 1.00 0.00 H new ATOM 0 HE3 LYS A 357 -8.874 -6.569 -5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 357 -8.875 -7.000 -2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 357 -9.770 -8.202 -3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 357 -8.204 -8.542 -2.930 1.00 0.00 H new ATOM 655 N ALA A 358 -3.145 -9.922 -6.344 1.00 0.00 N ATOM 656 CA ALA A 358 -2.437 -10.361 -7.540 1.00 0.00 C ATOM 657 C ALA A 358 -1.327 -11.345 -7.190 1.00 0.00 C ATOM 658 O ALA A 358 -1.033 -12.263 -7.956 1.00 0.00 O ATOM 659 CB ALA A 358 -1.869 -9.162 -8.283 1.00 0.00 C ATOM 0 H ALA A 358 -2.838 -9.021 -5.978 1.00 0.00 H new ATOM 0 HA ALA A 358 -3.148 -10.873 -8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -1.342 -9.503 -9.175 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -2.681 -8.496 -8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -1.176 -8.627 -7.634 1.00 0.00 H new ATOM 665 N GLY A 359 -0.722 -11.155 -6.023 1.00 0.00 N ATOM 666 CA GLY A 359 0.378 -12.000 -5.607 1.00 0.00 C ATOM 667 C GLY A 359 1.647 -11.667 -6.361 1.00 0.00 C ATOM 668 O GLY A 359 2.417 -12.555 -6.729 1.00 0.00 O ATOM 0 H GLY A 359 -0.976 -10.427 -5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 359 0.547 -11.879 -4.537 1.00 0.00 H new ATOM 0 HA3 GLY A 359 0.118 -13.046 -5.773 1.00 0.00 H new ATOM 672 N LEU A 360 1.860 -10.376 -6.586 1.00 0.00 N ATOM 673 CA LEU A 360 2.990 -9.906 -7.383 1.00 0.00 C ATOM 674 C LEU A 360 4.309 -9.985 -6.611 1.00 0.00 C ATOM 675 O LEU A 360 4.357 -10.490 -5.487 1.00 0.00 O ATOM 676 CB LEU A 360 2.728 -8.480 -7.901 1.00 0.00 C ATOM 677 CG LEU A 360 2.190 -7.467 -6.878 1.00 0.00 C ATOM 678 CD1 LEU A 360 3.283 -6.994 -5.928 1.00 0.00 C ATOM 679 CD2 LEU A 360 1.560 -6.284 -7.598 1.00 0.00 C ATOM 0 H LEU A 360 1.263 -9.632 -6.226 1.00 0.00 H new ATOM 0 HA LEU A 360 3.089 -10.571 -8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.659 -8.089 -8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.018 -8.542 -8.726 1.00 0.00 H new ATOM 0 HG LEU A 360 1.429 -7.966 -6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 360 2.865 -6.279 -5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 360 3.688 -7.848 -5.385 1.00 0.00 H new ATOM 0 HD13 LEU A 360 4.079 -6.516 -6.499 1.00 0.00 H new ATOM 0 HD21 LEU A 360 1.182 -5.571 -6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 360 2.309 -5.798 -8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 360 0.738 -6.634 -8.222 1.00 0.00 H new ATOM 691 N TYR A 361 5.375 -9.488 -7.227 1.00 0.00 N ATOM 692 CA TYR A 361 6.714 -9.611 -6.673 1.00 0.00 C ATOM 693 C TYR A 361 6.967 -8.570 -5.587 1.00 0.00 C ATOM 694 O TYR A 361 6.947 -7.363 -5.847 1.00 0.00 O ATOM 695 CB TYR A 361 7.756 -9.468 -7.787 1.00 0.00 C ATOM 696 CG TYR A 361 9.174 -9.743 -7.337 1.00 0.00 C ATOM 697 CD1 TYR A 361 9.982 -8.724 -6.849 1.00 0.00 C ATOM 698 CD2 TYR A 361 9.703 -11.025 -7.401 1.00 0.00 C ATOM 699 CE1 TYR A 361 11.275 -8.975 -6.439 1.00 0.00 C ATOM 700 CE2 TYR A 361 10.995 -11.284 -6.993 1.00 0.00 C ATOM 701 CZ TYR A 361 11.778 -10.257 -6.512 1.00 0.00 C ATOM 702 OH TYR A 361 13.069 -10.515 -6.108 1.00 0.00 O ATOM 0 H TYR A 361 5.335 -8.992 -8.118 1.00 0.00 H new ATOM 0 HA TYR A 361 6.800 -10.598 -6.219 1.00 0.00 H new ATOM 0 HB2 TYR A 361 7.503 -10.151 -8.598 1.00 0.00 H new ATOM 0 HB3 TYR A 361 7.703 -8.458 -8.193 1.00 0.00 H new ATOM 0 HD1 TYR A 361 9.592 -7.719 -6.790 1.00 0.00 H new ATOM 0 HD2 TYR A 361 9.093 -11.833 -7.777 1.00 0.00 H new ATOM 0 HE1 TYR A 361 11.890 -8.171 -6.063 1.00 0.00 H new ATOM 0 HE2 TYR A 361 11.391 -12.287 -7.050 1.00 0.00 H new ATOM 0 HH TYR A 361 13.264 -11.468 -6.224 1.00 0.00 H new ATOM 712 N MET A 362 7.196 -9.047 -4.371 1.00 0.00 N ATOM 713 CA MET A 362 7.547 -8.176 -3.260 1.00 0.00 C ATOM 714 C MET A 362 8.789 -8.681 -2.538 1.00 0.00 C ATOM 715 O MET A 362 8.772 -9.742 -1.915 1.00 0.00 O ATOM 716 CB MET A 362 6.391 -8.051 -2.265 1.00 0.00 C ATOM 717 CG MET A 362 5.380 -6.982 -2.635 1.00 0.00 C ATOM 718 SD MET A 362 4.144 -6.724 -1.349 1.00 0.00 S ATOM 719 CE MET A 362 3.358 -5.228 -1.942 1.00 0.00 C ATOM 0 H MET A 362 7.144 -10.037 -4.129 1.00 0.00 H new ATOM 0 HA MET A 362 7.757 -7.192 -3.678 1.00 0.00 H new ATOM 0 HB2 MET A 362 5.881 -9.011 -2.192 1.00 0.00 H new ATOM 0 HB3 MET A 362 6.796 -7.829 -1.277 1.00 0.00 H new ATOM 0 HG2 MET A 362 5.902 -6.044 -2.826 1.00 0.00 H new ATOM 0 HG3 MET A 362 4.881 -7.264 -3.562 1.00 0.00 H new ATOM 0 HE1 MET A 362 2.405 -5.091 -1.431 1.00 0.00 H new ATOM 0 HE2 MET A 362 4.004 -4.373 -1.741 1.00 0.00 H new ATOM 0 HE3 MET A 362 3.186 -5.308 -3.015 1.00 0.00 H new ATOM 729 N LYS A 363 9.865 -7.919 -2.637 1.00 0.00 N ATOM 730 CA LYS A 363 11.068 -8.186 -1.866 1.00 0.00 C ATOM 731 C LYS A 363 10.890 -7.526 -0.507 1.00 0.00 C ATOM 732 O LYS A 363 10.267 -6.471 -0.411 1.00 0.00 O ATOM 733 CB LYS A 363 12.303 -7.619 -2.580 1.00 0.00 C ATOM 734 CG LYS A 363 13.471 -8.596 -2.692 1.00 0.00 C ATOM 735 CD LYS A 363 14.034 -8.982 -1.331 1.00 0.00 C ATOM 736 CE LYS A 363 15.257 -9.878 -1.468 1.00 0.00 C ATOM 737 NZ LYS A 363 15.768 -10.335 -0.147 1.00 0.00 N ATOM 0 H LYS A 363 9.930 -7.105 -3.248 1.00 0.00 H new ATOM 0 HA LYS A 363 11.220 -9.260 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 363 12.014 -7.301 -3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 363 12.639 -6.729 -2.047 1.00 0.00 H new ATOM 0 HG2 LYS A 363 13.142 -9.494 -3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 363 14.260 -8.148 -3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 363 14.301 -8.082 -0.778 1.00 0.00 H new ATOM 0 HD3 LYS A 363 13.268 -9.497 -0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 363 15.004 -10.745 -2.078 1.00 0.00 H new ATOM 0 HE3 LYS A 363 16.044 -9.338 -1.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 16.476 -11.083 -0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 16.205 -9.534 0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 14.980 -10.708 0.420 1.00 0.00 H new ATOM 751 N MET A 364 11.417 -8.123 0.542 1.00 0.00 N ATOM 752 CA MET A 364 11.137 -7.647 1.880 1.00 0.00 C ATOM 753 C MET A 364 12.405 -7.663 2.697 1.00 0.00 C ATOM 754 O MET A 364 12.897 -8.718 3.091 1.00 0.00 O ATOM 755 CB MET A 364 10.046 -8.499 2.537 1.00 0.00 C ATOM 756 CG MET A 364 8.756 -8.516 1.735 1.00 0.00 C ATOM 757 SD MET A 364 7.412 -9.404 2.541 1.00 0.00 S ATOM 758 CE MET A 364 6.110 -9.134 1.341 1.00 0.00 C ATOM 0 H MET A 364 12.036 -8.932 0.495 1.00 0.00 H new ATOM 0 HA MET A 364 10.769 -6.622 1.827 1.00 0.00 H new ATOM 0 HB2 MET A 364 10.409 -9.520 2.655 1.00 0.00 H new ATOM 0 HB3 MET A 364 9.843 -8.115 3.537 1.00 0.00 H new ATOM 0 HG2 MET A 364 8.441 -7.489 1.549 1.00 0.00 H new ATOM 0 HG3 MET A 364 8.949 -8.971 0.763 1.00 0.00 H new ATOM 0 HE1 MET A 364 5.140 -9.258 1.823 1.00 0.00 H new ATOM 0 HE2 MET A 364 6.189 -8.124 0.939 1.00 0.00 H new ATOM 0 HE3 MET A 364 6.207 -9.856 0.530 1.00 0.00 H new ATOM 768 N GLU A 365 12.936 -6.485 2.923 1.00 0.00 N ATOM 769 CA GLU A 365 14.186 -6.341 3.624 1.00 0.00 C ATOM 770 C GLU A 365 13.949 -5.680 4.978 1.00 0.00 C ATOM 771 O GLU A 365 13.379 -4.589 5.053 1.00 0.00 O ATOM 772 CB GLU A 365 15.123 -5.494 2.770 1.00 0.00 C ATOM 773 CG GLU A 365 15.636 -6.194 1.524 1.00 0.00 C ATOM 774 CD GLU A 365 16.566 -7.346 1.830 1.00 0.00 C ATOM 775 OE1 GLU A 365 17.726 -7.090 2.215 1.00 0.00 O ATOM 776 OE2 GLU A 365 16.148 -8.509 1.683 1.00 0.00 O ATOM 0 H GLU A 365 12.515 -5.604 2.627 1.00 0.00 H new ATOM 0 HA GLU A 365 14.635 -7.319 3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 365 14.602 -4.584 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 365 15.975 -5.190 3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 365 14.788 -6.563 0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 365 16.158 -5.471 0.897 1.00 0.00 H new ATOM 783 N PRO A 366 14.354 -6.343 6.064 1.00 0.00 N ATOM 784 CA PRO A 366 14.235 -5.801 7.405 1.00 0.00 C ATOM 785 C PRO A 366 15.518 -5.117 7.876 1.00 0.00 C ATOM 786 O PRO A 366 16.582 -5.737 7.932 1.00 0.00 O ATOM 787 CB PRO A 366 13.960 -7.056 8.231 1.00 0.00 C ATOM 788 CG PRO A 366 14.663 -8.169 7.508 1.00 0.00 C ATOM 789 CD PRO A 366 14.921 -7.701 6.091 1.00 0.00 C ATOM 0 HA PRO A 366 13.469 -5.029 7.482 1.00 0.00 H new ATOM 0 HB2 PRO A 366 14.337 -6.948 9.248 1.00 0.00 H new ATOM 0 HB3 PRO A 366 12.890 -7.250 8.307 1.00 0.00 H new ATOM 0 HG2 PRO A 366 15.600 -8.418 8.006 1.00 0.00 H new ATOM 0 HG3 PRO A 366 14.052 -9.072 7.508 1.00 0.00 H new ATOM 0 HD2 PRO A 366 15.986 -7.695 5.859 1.00 0.00 H new ATOM 0 HD3 PRO A 366 14.439 -8.351 5.361 1.00 0.00 H new ATOM 797 N VAL A 367 15.431 -3.837 8.200 1.00 0.00 N ATOM 798 CA VAL A 367 16.576 -3.144 8.758 1.00 0.00 C ATOM 799 C VAL A 367 16.428 -3.056 10.272 1.00 0.00 C ATOM 800 O VAL A 367 15.384 -2.644 10.789 1.00 0.00 O ATOM 801 CB VAL A 367 16.794 -1.735 8.135 1.00 0.00 C ATOM 802 CG1 VAL A 367 15.807 -0.714 8.658 1.00 0.00 C ATOM 803 CG2 VAL A 367 18.221 -1.266 8.362 1.00 0.00 C ATOM 0 H VAL A 367 14.593 -3.266 8.088 1.00 0.00 H new ATOM 0 HA VAL A 367 17.466 -3.722 8.510 1.00 0.00 H new ATOM 0 HB VAL A 367 16.618 -1.828 7.063 1.00 0.00 H new ATOM 0 HG11 VAL A 367 16.002 0.252 8.192 1.00 0.00 H new ATOM 0 HG12 VAL A 367 14.792 -1.034 8.420 1.00 0.00 H new ATOM 0 HG13 VAL A 367 15.915 -0.624 9.739 1.00 0.00 H new ATOM 0 HG21 VAL A 367 18.354 -0.279 7.919 1.00 0.00 H new ATOM 0 HG22 VAL A 367 18.421 -1.214 9.432 1.00 0.00 H new ATOM 0 HG23 VAL A 367 18.913 -1.968 7.898 1.00 0.00 H new ATOM 813 N LYS A 368 17.449 -3.498 10.977 1.00 0.00 N ATOM 814 CA LYS A 368 17.439 -3.443 12.421 1.00 0.00 C ATOM 815 C LYS A 368 18.512 -2.494 12.925 1.00 0.00 C ATOM 816 O LYS A 368 19.599 -2.401 12.353 1.00 0.00 O ATOM 817 CB LYS A 368 17.583 -4.848 13.039 1.00 0.00 C ATOM 818 CG LYS A 368 18.614 -5.767 12.373 1.00 0.00 C ATOM 819 CD LYS A 368 20.054 -5.303 12.569 1.00 0.00 C ATOM 820 CE LYS A 368 20.399 -5.097 14.037 1.00 0.00 C ATOM 821 NZ LYS A 368 20.197 -6.327 14.847 1.00 0.00 N ATOM 0 H LYS A 368 18.295 -3.899 10.572 1.00 0.00 H new ATOM 0 HA LYS A 368 16.472 -3.054 12.740 1.00 0.00 H new ATOM 0 HB2 LYS A 368 17.849 -4.737 14.090 1.00 0.00 H new ATOM 0 HB3 LYS A 368 16.611 -5.340 13.007 1.00 0.00 H new ATOM 0 HG2 LYS A 368 18.506 -6.774 12.776 1.00 0.00 H new ATOM 0 HG3 LYS A 368 18.401 -5.826 11.306 1.00 0.00 H new ATOM 0 HD2 LYS A 368 20.733 -6.039 12.138 1.00 0.00 H new ATOM 0 HD3 LYS A 368 20.210 -4.370 12.027 1.00 0.00 H new ATOM 0 HE2 LYS A 368 21.437 -4.777 14.121 1.00 0.00 H new ATOM 0 HE3 LYS A 368 19.784 -4.294 14.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 20.509 -6.155 15.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 19.189 -6.582 14.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 20.751 -7.106 14.439 1.00 0.00 H new ATOM 835 N GLU A 369 18.182 -1.774 13.971 1.00 0.00 N ATOM 836 CA GLU A 369 19.086 -0.818 14.571 1.00 0.00 C ATOM 837 C GLU A 369 18.695 -0.625 16.033 1.00 0.00 C ATOM 838 O GLU A 369 17.753 -1.257 16.511 1.00 0.00 O ATOM 839 CB GLU A 369 19.063 0.496 13.783 1.00 0.00 C ATOM 840 CG GLU A 369 20.437 1.003 13.380 1.00 0.00 C ATOM 841 CD GLU A 369 21.066 1.896 14.426 1.00 0.00 C ATOM 842 OE1 GLU A 369 21.452 1.389 15.494 1.00 0.00 O ATOM 843 OE2 GLU A 369 21.168 3.119 14.183 1.00 0.00 O ATOM 0 H GLU A 369 17.275 -1.834 14.433 1.00 0.00 H new ATOM 0 HA GLU A 369 20.111 -1.187 14.538 1.00 0.00 H new ATOM 0 HB2 GLU A 369 18.461 0.358 12.885 1.00 0.00 H new ATOM 0 HB3 GLU A 369 18.568 1.259 14.384 1.00 0.00 H new ATOM 0 HG2 GLU A 369 21.092 0.152 13.195 1.00 0.00 H new ATOM 0 HG3 GLU A 369 20.355 1.553 12.442 1.00 0.00 H new ATOM 850 N LEU A 370 19.447 0.183 16.749 1.00 0.00 N ATOM 851 CA LEU A 370 19.273 0.379 18.158 1.00 0.00 C ATOM 852 C LEU A 370 19.318 1.866 18.491 1.00 0.00 C ATOM 853 O LEU A 370 19.537 2.249 19.642 1.00 0.00 O ATOM 854 CB LEU A 370 20.378 -0.358 18.915 1.00 0.00 C ATOM 855 CG LEU A 370 21.711 -0.560 18.175 1.00 0.00 C ATOM 856 CD1 LEU A 370 22.852 -0.689 19.172 1.00 0.00 C ATOM 857 CD2 LEU A 370 21.661 -1.805 17.295 1.00 0.00 C ATOM 0 H LEU A 370 20.211 0.730 16.352 1.00 0.00 H new ATOM 0 HA LEU A 370 18.303 -0.017 18.457 1.00 0.00 H new ATOM 0 HB2 LEU A 370 20.581 0.188 19.836 1.00 0.00 H new ATOM 0 HB3 LEU A 370 19.997 -1.338 19.202 1.00 0.00 H new ATOM 0 HG LEU A 370 21.880 0.311 17.542 1.00 0.00 H new ATOM 0 HD11 LEU A 370 23.790 -0.832 18.635 1.00 0.00 H new ATOM 0 HD12 LEU A 370 22.913 0.217 19.775 1.00 0.00 H new ATOM 0 HD13 LEU A 370 22.672 -1.545 19.822 1.00 0.00 H new ATOM 0 HD21 LEU A 370 22.615 -1.927 16.782 1.00 0.00 H new ATOM 0 HD22 LEU A 370 21.468 -2.681 17.914 1.00 0.00 H new ATOM 0 HD23 LEU A 370 20.864 -1.698 16.559 1.00 0.00 H new ATOM 869 N THR A 371 19.086 2.690 17.471 1.00 0.00 N ATOM 870 CA THR A 371 19.188 4.142 17.584 1.00 0.00 C ATOM 871 C THR A 371 18.377 4.685 18.761 1.00 0.00 C ATOM 872 O THR A 371 17.186 4.397 18.895 1.00 0.00 O ATOM 873 CB THR A 371 18.692 4.819 16.293 1.00 0.00 C ATOM 874 OG1 THR A 371 18.869 3.934 15.177 1.00 0.00 O ATOM 875 CG2 THR A 371 19.445 6.117 16.037 1.00 0.00 C ATOM 0 H THR A 371 18.821 2.367 16.540 1.00 0.00 H new ATOM 0 HA THR A 371 20.241 4.370 17.751 1.00 0.00 H new ATOM 0 HB THR A 371 17.633 5.048 16.414 1.00 0.00 H new ATOM 0 HG1 THR A 371 19.768 4.052 14.805 1.00 0.00 H new ATOM 0 HG21 THR A 371 19.077 6.576 15.120 1.00 0.00 H new ATOM 0 HG22 THR A 371 19.289 6.799 16.873 1.00 0.00 H new ATOM 0 HG23 THR A 371 20.510 5.906 15.935 1.00 0.00 H new ATOM 883 N GLY A 372 19.034 5.459 19.613 1.00 0.00 N ATOM 884 CA GLY A 372 18.362 6.055 20.749 1.00 0.00 C ATOM 885 C GLY A 372 18.476 5.200 21.991 1.00 0.00 C ATOM 886 O GLY A 372 17.787 5.439 22.984 1.00 0.00 O ATOM 0 H GLY A 372 20.026 5.686 19.537 1.00 0.00 H new ATOM 0 HA2 GLY A 372 18.788 7.039 20.946 1.00 0.00 H new ATOM 0 HA3 GLY A 372 17.310 6.206 20.509 1.00 0.00 H new ATOM 890 N GLY A 373 19.346 4.200 21.935 1.00 0.00 N ATOM 891 CA GLY A 373 19.537 3.316 23.065 1.00 0.00 C ATOM 892 C GLY A 373 18.388 2.347 23.234 1.00 0.00 C ATOM 893 O GLY A 373 17.847 2.200 24.328 1.00 0.00 O ATOM 0 H GLY A 373 19.925 3.986 21.123 1.00 0.00 H new ATOM 0 HA2 GLY A 373 20.464 2.758 22.935 1.00 0.00 H new ATOM 0 HA3 GLY A 373 19.647 3.909 23.973 1.00 0.00 H new ATOM 897 N GLY A 374 18.006 1.698 22.146 1.00 0.00 N ATOM 898 CA GLY A 374 16.918 0.746 22.199 1.00 0.00 C ATOM 899 C GLY A 374 16.934 -0.195 21.017 1.00 0.00 C ATOM 900 O GLY A 374 17.929 -0.878 20.778 1.00 0.00 O ATOM 0 H GLY A 374 18.431 1.814 21.226 1.00 0.00 H new ATOM 0 HA2 GLY A 374 16.984 0.170 23.122 1.00 0.00 H new ATOM 0 HA3 GLY A 374 15.969 1.281 22.224 1.00 0.00 H new ATOM 904 N THR A 375 15.832 -0.248 20.291 1.00 0.00 N ATOM 905 CA THR A 375 15.752 -1.030 19.070 1.00 0.00 C ATOM 906 C THR A 375 14.890 -0.303 18.044 1.00 0.00 C ATOM 907 O THR A 375 13.766 0.100 18.349 1.00 0.00 O ATOM 908 CB THR A 375 15.162 -2.433 19.341 1.00 0.00 C ATOM 909 OG1 THR A 375 15.956 -3.113 20.323 1.00 0.00 O ATOM 910 CG2 THR A 375 15.110 -3.264 18.067 1.00 0.00 C ATOM 0 H THR A 375 14.972 0.246 20.529 1.00 0.00 H new ATOM 0 HA THR A 375 16.763 -1.152 18.681 1.00 0.00 H new ATOM 0 HB THR A 375 14.145 -2.306 19.711 1.00 0.00 H new ATOM 0 HG1 THR A 375 15.577 -4.001 20.492 1.00 0.00 H new ATOM 0 HG21 THR A 375 14.691 -4.245 18.289 1.00 0.00 H new ATOM 0 HG22 THR A 375 14.485 -2.761 17.330 1.00 0.00 H new ATOM 0 HG23 THR A 375 16.118 -3.382 17.668 1.00 0.00 H new ATOM 918 N THR A 376 15.409 -0.117 16.839 1.00 0.00 N ATOM 919 CA THR A 376 14.656 0.501 15.795 1.00 0.00 C ATOM 920 C THR A 376 14.534 -0.480 14.650 1.00 0.00 C ATOM 921 O THR A 376 15.515 -0.984 14.107 1.00 0.00 O ATOM 922 CB THR A 376 15.299 1.821 15.318 1.00 0.00 C ATOM 923 OG1 THR A 376 16.556 1.570 14.693 1.00 0.00 O ATOM 924 CG2 THR A 376 15.523 2.749 16.492 1.00 0.00 C ATOM 0 H THR A 376 16.355 -0.392 16.574 1.00 0.00 H new ATOM 0 HA THR A 376 13.669 0.760 16.178 1.00 0.00 H new ATOM 0 HB THR A 376 14.620 2.284 14.602 1.00 0.00 H new ATOM 0 HG1 THR A 376 16.564 0.661 14.328 1.00 0.00 H new ATOM 0 HG21 THR A 376 15.977 3.676 16.142 1.00 0.00 H new ATOM 0 HG22 THR A 376 14.568 2.970 16.968 1.00 0.00 H new ATOM 0 HG23 THR A 376 16.186 2.270 17.213 1.00 0.00 H new ATOM 932 N PHE A 377 13.311 -0.780 14.355 1.00 0.00 N ATOM 933 CA PHE A 377 12.970 -1.680 13.275 1.00 0.00 C ATOM 934 C PHE A 377 12.238 -0.953 12.156 1.00 0.00 C ATOM 935 O PHE A 377 11.227 -0.288 12.387 1.00 0.00 O ATOM 936 CB PHE A 377 12.093 -2.800 13.813 1.00 0.00 C ATOM 937 CG PHE A 377 12.460 -4.142 13.272 1.00 0.00 C ATOM 938 CD1 PHE A 377 13.547 -4.810 13.791 1.00 0.00 C ATOM 939 CD2 PHE A 377 11.734 -4.726 12.252 1.00 0.00 C ATOM 940 CE1 PHE A 377 13.907 -6.053 13.311 1.00 0.00 C ATOM 941 CE2 PHE A 377 12.084 -5.971 11.763 1.00 0.00 C ATOM 942 CZ PHE A 377 13.177 -6.634 12.291 1.00 0.00 C ATOM 0 H PHE A 377 12.504 -0.409 14.856 1.00 0.00 H new ATOM 0 HA PHE A 377 13.894 -2.088 12.865 1.00 0.00 H new ATOM 0 HB2 PHE A 377 12.167 -2.821 14.900 1.00 0.00 H new ATOM 0 HB3 PHE A 377 11.052 -2.588 13.568 1.00 0.00 H new ATOM 0 HD1 PHE A 377 14.124 -4.356 14.583 1.00 0.00 H new ATOM 0 HD2 PHE A 377 10.886 -4.205 11.833 1.00 0.00 H new ATOM 0 HE1 PHE A 377 14.757 -6.570 13.731 1.00 0.00 H new ATOM 0 HE2 PHE A 377 11.506 -6.424 10.971 1.00 0.00 H new ATOM 0 HZ PHE A 377 13.459 -7.603 11.907 1.00 0.00 H new ATOM 952 N SER A 378 12.769 -1.054 10.952 1.00 0.00 N ATOM 953 CA SER A 378 12.096 -0.539 9.771 1.00 0.00 C ATOM 954 C SER A 378 12.094 -1.596 8.678 1.00 0.00 C ATOM 955 O SER A 378 13.147 -2.105 8.292 1.00 0.00 O ATOM 956 CB SER A 378 12.781 0.738 9.274 1.00 0.00 C ATOM 957 OG SER A 378 12.822 1.719 10.297 1.00 0.00 O ATOM 0 H SER A 378 13.671 -1.491 10.764 1.00 0.00 H new ATOM 0 HA SER A 378 11.066 -0.294 10.032 1.00 0.00 H new ATOM 0 HB2 SER A 378 13.794 0.508 8.944 1.00 0.00 H new ATOM 0 HB3 SER A 378 12.246 1.130 8.409 1.00 0.00 H new ATOM 0 HG SER A 378 13.265 2.526 9.959 1.00 0.00 H new ATOM 963 N VAL A 379 10.922 -1.956 8.195 1.00 0.00 N ATOM 964 CA VAL A 379 10.845 -2.891 7.094 1.00 0.00 C ATOM 965 C VAL A 379 10.720 -2.123 5.795 1.00 0.00 C ATOM 966 O VAL A 379 9.894 -1.221 5.667 1.00 0.00 O ATOM 967 CB VAL A 379 9.658 -3.860 7.205 1.00 0.00 C ATOM 968 CG1 VAL A 379 9.866 -5.070 6.303 1.00 0.00 C ATOM 969 CG2 VAL A 379 9.423 -4.289 8.647 1.00 0.00 C ATOM 0 H VAL A 379 10.023 -1.621 8.542 1.00 0.00 H new ATOM 0 HA VAL A 379 11.758 -3.486 7.122 1.00 0.00 H new ATOM 0 HB VAL A 379 8.764 -3.333 6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 379 9.014 -5.744 6.396 1.00 0.00 H new ATOM 0 HG12 VAL A 379 9.957 -4.741 5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 379 10.776 -5.592 6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 379 8.576 -4.974 8.689 1.00 0.00 H new ATOM 0 HG22 VAL A 379 10.314 -4.789 9.028 1.00 0.00 H new ATOM 0 HG23 VAL A 379 9.211 -3.411 9.258 1.00 0.00 H new ATOM 979 N ARG A 380 11.534 -2.491 4.839 1.00 0.00 N ATOM 980 CA ARG A 380 11.535 -1.835 3.548 1.00 0.00 C ATOM 981 C ARG A 380 11.205 -2.852 2.468 1.00 0.00 C ATOM 982 O ARG A 380 12.000 -3.743 2.156 1.00 0.00 O ATOM 983 CB ARG A 380 12.882 -1.143 3.278 1.00 0.00 C ATOM 984 CG ARG A 380 14.082 -2.073 3.340 1.00 0.00 C ATOM 985 CD ARG A 380 15.380 -1.346 3.040 1.00 0.00 C ATOM 986 NE ARG A 380 16.529 -2.253 3.070 1.00 0.00 N ATOM 987 CZ ARG A 380 17.706 -1.991 2.501 1.00 0.00 C ATOM 988 NH1 ARG A 380 17.908 -0.836 1.876 1.00 0.00 N ATOM 989 NH2 ARG A 380 18.689 -2.881 2.570 1.00 0.00 N ATOM 0 H ARG A 380 12.212 -3.248 4.928 1.00 0.00 H new ATOM 0 HA ARG A 380 10.773 -1.056 3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 380 12.848 -0.677 2.293 1.00 0.00 H new ATOM 0 HB3 ARG A 380 13.019 -0.342 4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 380 14.140 -2.525 4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 380 13.948 -2.886 2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 380 15.314 -0.874 2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 380 15.527 -0.548 3.768 1.00 0.00 H new ATOM 0 HE ARG A 380 16.422 -3.143 3.558 1.00 0.00 H new ATOM 0 HH11 ARG A 380 17.160 -0.144 1.830 1.00 0.00 H new ATOM 0 HH12 ARG A 380 18.811 -0.642 1.443 1.00 0.00 H new ATOM 0 HH21 ARG A 380 18.544 -3.765 3.058 1.00 0.00 H new ATOM 0 HH22 ARG A 380 19.590 -2.681 2.135 1.00 0.00 H new ATOM 1003 N LYS A 381 10.005 -2.752 1.933 1.00 0.00 N ATOM 1004 CA LYS A 381 9.566 -3.678 0.911 1.00 0.00 C ATOM 1005 C LYS A 381 9.838 -3.111 -0.470 1.00 0.00 C ATOM 1006 O LYS A 381 9.460 -1.983 -0.779 1.00 0.00 O ATOM 1007 CB LYS A 381 8.081 -4.010 1.069 1.00 0.00 C ATOM 1008 CG LYS A 381 7.762 -4.818 2.317 1.00 0.00 C ATOM 1009 CD LYS A 381 6.323 -5.301 2.300 1.00 0.00 C ATOM 1010 CE LYS A 381 6.003 -6.184 3.500 1.00 0.00 C ATOM 1011 NZ LYS A 381 6.155 -5.468 4.794 1.00 0.00 N ATOM 0 H LYS A 381 9.319 -2.041 2.188 1.00 0.00 H new ATOM 0 HA LYS A 381 10.132 -4.602 1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 381 7.511 -3.081 1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 381 7.747 -4.566 0.193 1.00 0.00 H new ATOM 0 HG2 LYS A 381 8.435 -5.673 2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 381 7.934 -4.208 3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 381 5.652 -4.442 2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 381 6.138 -5.857 1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 381 4.982 -6.554 3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 381 6.659 -7.054 3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 5.829 -6.079 5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 7.156 -5.226 4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 5.587 -4.597 4.778 1.00 0.00 H new ATOM 1025 N THR A 382 10.514 -3.899 -1.282 1.00 0.00 N ATOM 1026 CA THR A 382 10.784 -3.523 -2.651 1.00 0.00 C ATOM 1027 C THR A 382 9.816 -4.272 -3.553 1.00 0.00 C ATOM 1028 O THR A 382 9.927 -5.484 -3.731 1.00 0.00 O ATOM 1029 CB THR A 382 12.237 -3.862 -3.038 1.00 0.00 C ATOM 1030 OG1 THR A 382 13.139 -3.274 -2.093 1.00 0.00 O ATOM 1031 CG2 THR A 382 12.565 -3.356 -4.434 1.00 0.00 C ATOM 0 H THR A 382 10.888 -4.809 -1.013 1.00 0.00 H new ATOM 0 HA THR A 382 10.652 -2.447 -2.765 1.00 0.00 H new ATOM 0 HB THR A 382 12.347 -4.946 -3.030 1.00 0.00 H new ATOM 0 HG1 THR A 382 14.061 -3.493 -2.341 1.00 0.00 H new ATOM 0 HG21 THR A 382 13.596 -3.609 -4.680 1.00 0.00 H new ATOM 0 HG22 THR A 382 11.895 -3.822 -5.157 1.00 0.00 H new ATOM 0 HG23 THR A 382 12.439 -2.274 -4.468 1.00 0.00 H new ATOM 1039 N ALA A 383 8.868 -3.557 -4.117 1.00 0.00 N ATOM 1040 CA ALA A 383 7.782 -4.194 -4.828 1.00 0.00 C ATOM 1041 C ALA A 383 7.725 -3.733 -6.268 1.00 0.00 C ATOM 1042 O ALA A 383 7.958 -2.566 -6.566 1.00 0.00 O ATOM 1043 CB ALA A 383 6.464 -3.901 -4.127 1.00 0.00 C ATOM 0 H ALA A 383 8.827 -2.538 -4.097 1.00 0.00 H new ATOM 0 HA ALA A 383 7.957 -5.270 -4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.649 -4.383 -4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 383 6.501 -4.285 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 383 6.296 -2.824 -4.103 1.00 0.00 H new ATOM 1049 N TYR A 384 7.432 -4.654 -7.157 1.00 0.00 N ATOM 1050 CA TYR A 384 7.204 -4.315 -8.543 1.00 0.00 C ATOM 1051 C TYR A 384 5.767 -4.652 -8.901 1.00 0.00 C ATOM 1052 O TYR A 384 5.227 -5.645 -8.419 1.00 0.00 O ATOM 1053 CB TYR A 384 8.176 -5.061 -9.464 1.00 0.00 C ATOM 1054 CG TYR A 384 9.632 -4.673 -9.278 1.00 0.00 C ATOM 1055 CD1 TYR A 384 10.099 -3.415 -9.656 1.00 0.00 C ATOM 1056 CD2 TYR A 384 10.543 -5.571 -8.735 1.00 0.00 C ATOM 1057 CE1 TYR A 384 11.423 -3.071 -9.496 1.00 0.00 C ATOM 1058 CE2 TYR A 384 11.873 -5.228 -8.572 1.00 0.00 C ATOM 1059 CZ TYR A 384 12.307 -3.978 -8.957 1.00 0.00 C ATOM 1060 OH TYR A 384 13.626 -3.629 -8.795 1.00 0.00 O ATOM 0 H TYR A 384 7.346 -5.648 -6.944 1.00 0.00 H new ATOM 0 HA TYR A 384 7.378 -3.248 -8.682 1.00 0.00 H new ATOM 0 HB2 TYR A 384 8.072 -6.132 -9.292 1.00 0.00 H new ATOM 0 HB3 TYR A 384 7.892 -4.876 -10.500 1.00 0.00 H new ATOM 0 HD1 TYR A 384 9.412 -2.699 -10.081 1.00 0.00 H new ATOM 0 HD2 TYR A 384 10.207 -6.553 -8.435 1.00 0.00 H new ATOM 0 HE1 TYR A 384 11.767 -2.091 -9.793 1.00 0.00 H new ATOM 0 HE2 TYR A 384 12.568 -5.936 -8.145 1.00 0.00 H new ATOM 0 HH TYR A 384 14.117 -4.380 -8.401 1.00 0.00 H new ATOM 1070 N CYS A 385 5.146 -3.819 -9.723 1.00 0.00 N ATOM 1071 CA CYS A 385 3.771 -4.070 -10.148 1.00 0.00 C ATOM 1072 C CYS A 385 3.680 -5.377 -10.939 1.00 0.00 C ATOM 1073 O CYS A 385 4.681 -5.862 -11.463 1.00 0.00 O ATOM 1074 CB CYS A 385 3.234 -2.888 -10.971 1.00 0.00 C ATOM 1075 SG CYS A 385 4.405 -2.169 -12.159 1.00 0.00 S ATOM 0 H CYS A 385 5.564 -2.972 -10.107 1.00 0.00 H new ATOM 0 HA CYS A 385 3.149 -4.171 -9.259 1.00 0.00 H new ATOM 0 HB2 CYS A 385 2.348 -3.218 -11.514 1.00 0.00 H new ATOM 0 HB3 CYS A 385 2.913 -2.105 -10.284 1.00 0.00 H new ATOM 0 HG CYS A 385 3.780 -1.876 -13.261 1.00 0.00 H new ATOM 1080 N ASP A 386 2.484 -5.953 -11.002 1.00 0.00 N ATOM 1081 CA ASP A 386 2.290 -7.278 -11.601 1.00 0.00 C ATOM 1082 C ASP A 386 2.794 -7.329 -13.048 1.00 0.00 C ATOM 1083 O ASP A 386 3.499 -8.265 -13.431 1.00 0.00 O ATOM 1084 CB ASP A 386 0.813 -7.699 -11.525 1.00 0.00 C ATOM 1085 CG ASP A 386 -0.106 -6.860 -12.396 1.00 0.00 C ATOM 1086 OD1 ASP A 386 0.087 -5.629 -12.462 1.00 0.00 O ATOM 1087 OD2 ASP A 386 -1.038 -7.433 -13.004 1.00 0.00 O ATOM 0 H ASP A 386 1.629 -5.525 -10.646 1.00 0.00 H new ATOM 0 HA ASP A 386 2.884 -7.986 -11.023 1.00 0.00 H new ATOM 0 HB2 ASP A 386 0.726 -8.744 -11.822 1.00 0.00 H new ATOM 0 HB3 ASP A 386 0.478 -7.633 -10.490 1.00 0.00 H new ATOM 1092 N VAL A 387 2.463 -6.311 -13.832 1.00 0.00 N ATOM 1093 CA VAL A 387 2.900 -6.239 -15.226 1.00 0.00 C ATOM 1094 C VAL A 387 4.310 -5.654 -15.343 1.00 0.00 C ATOM 1095 O VAL A 387 4.748 -5.262 -16.423 1.00 0.00 O ATOM 1096 CB VAL A 387 1.925 -5.400 -16.079 1.00 0.00 C ATOM 1097 CG1 VAL A 387 0.571 -6.089 -16.182 1.00 0.00 C ATOM 1098 CG2 VAL A 387 1.771 -4.000 -15.504 1.00 0.00 C ATOM 0 H VAL A 387 1.893 -5.522 -13.529 1.00 0.00 H new ATOM 0 HA VAL A 387 2.911 -7.261 -15.604 1.00 0.00 H new ATOM 0 HB VAL A 387 2.342 -5.312 -17.082 1.00 0.00 H new ATOM 0 HG11 VAL A 387 -0.101 -5.481 -16.787 1.00 0.00 H new ATOM 0 HG12 VAL A 387 0.695 -7.067 -16.648 1.00 0.00 H new ATOM 0 HG13 VAL A 387 0.149 -6.213 -15.185 1.00 0.00 H new ATOM 0 HG21 VAL A 387 1.079 -3.427 -16.122 1.00 0.00 H new ATOM 0 HG22 VAL A 387 1.382 -4.065 -14.488 1.00 0.00 H new ATOM 0 HG23 VAL A 387 2.741 -3.504 -15.490 1.00 0.00 H new ATOM 1108 N HIS A 388 5.016 -5.608 -14.225 1.00 0.00 N ATOM 1109 CA HIS A 388 6.376 -5.081 -14.182 1.00 0.00 C ATOM 1110 C HIS A 388 7.375 -6.233 -14.149 1.00 0.00 C ATOM 1111 O HIS A 388 8.558 -6.050 -14.413 1.00 0.00 O ATOM 1112 CB HIS A 388 6.531 -4.214 -12.928 1.00 0.00 C ATOM 1113 CG HIS A 388 7.686 -3.262 -12.921 1.00 0.00 C ATOM 1114 ND1 HIS A 388 7.553 -1.922 -12.557 1.00 0.00 N ATOM 1115 CD2 HIS A 388 9.003 -3.463 -13.155 1.00 0.00 C ATOM 1116 CE1 HIS A 388 8.762 -1.364 -12.573 1.00 0.00 C ATOM 1117 NE2 HIS A 388 9.644 -2.274 -12.931 1.00 0.00 N ATOM 0 H HIS A 388 4.667 -5.933 -13.323 1.00 0.00 H new ATOM 0 HA HIS A 388 6.569 -4.478 -15.069 1.00 0.00 H new ATOM 0 HB2 HIS A 388 5.614 -3.641 -12.792 1.00 0.00 H new ATOM 0 HB3 HIS A 388 6.625 -4.873 -12.065 1.00 0.00 H new ATOM 0 HD1 HIS A 388 6.680 -1.451 -12.320 1.00 0.00 H new ATOM 0 HD2 HIS A 388 9.464 -4.390 -13.462 1.00 0.00 H new ATOM 0 HE1 HIS A 388 8.983 -0.335 -12.332 1.00 0.00 H new ATOM 1125 N THR A 389 6.879 -7.418 -13.827 1.00 0.00 N ATOM 1126 CA THR A 389 7.726 -8.594 -13.689 1.00 0.00 C ATOM 1127 C THR A 389 8.250 -9.106 -15.047 1.00 0.00 C ATOM 1128 O THR A 389 9.439 -9.408 -15.167 1.00 0.00 O ATOM 1129 CB THR A 389 6.980 -9.724 -12.950 1.00 0.00 C ATOM 1130 OG1 THR A 389 6.269 -9.182 -11.828 1.00 0.00 O ATOM 1131 CG2 THR A 389 7.953 -10.790 -12.466 1.00 0.00 C ATOM 0 H THR A 389 5.889 -7.592 -13.655 1.00 0.00 H new ATOM 0 HA THR A 389 8.590 -8.289 -13.099 1.00 0.00 H new ATOM 0 HB THR A 389 6.278 -10.183 -13.645 1.00 0.00 H new ATOM 0 HG1 THR A 389 5.416 -8.806 -12.132 1.00 0.00 H new ATOM 0 HG21 THR A 389 7.403 -11.576 -11.948 1.00 0.00 H new ATOM 0 HG22 THR A 389 8.479 -11.217 -13.320 1.00 0.00 H new ATOM 0 HG23 THR A 389 8.674 -10.341 -11.783 1.00 0.00 H new ATOM 1139 N PRO A 390 7.385 -9.240 -16.089 1.00 0.00 N ATOM 1140 CA PRO A 390 7.839 -9.658 -17.425 1.00 0.00 C ATOM 1141 C PRO A 390 8.920 -8.739 -18.037 1.00 0.00 C ATOM 1142 O PRO A 390 9.904 -9.249 -18.584 1.00 0.00 O ATOM 1143 CB PRO A 390 6.564 -9.658 -18.274 1.00 0.00 C ATOM 1144 CG PRO A 390 5.449 -9.762 -17.292 1.00 0.00 C ATOM 1145 CD PRO A 390 5.917 -9.053 -16.054 1.00 0.00 C ATOM 0 HA PRO A 390 8.328 -10.631 -17.378 1.00 0.00 H new ATOM 0 HB2 PRO A 390 6.484 -8.747 -18.867 1.00 0.00 H new ATOM 0 HB3 PRO A 390 6.555 -10.495 -18.972 1.00 0.00 H new ATOM 0 HG2 PRO A 390 4.541 -9.304 -17.684 1.00 0.00 H new ATOM 0 HG3 PRO A 390 5.214 -10.805 -17.079 1.00 0.00 H new ATOM 0 HD2 PRO A 390 5.645 -7.997 -16.068 1.00 0.00 H new ATOM 0 HD3 PRO A 390 5.478 -9.483 -15.154 1.00 0.00 H new