USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=27 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 -123:sc= 1.3 USER MOD Set 1.2: A 346 CYS SG : rot -55:sc= 1.96 USER MOD Set 1.3: A 348 THR OG1 : rot 162:sc= 1.74 USER MOD Set 1.4: A 385 CYS SG : rot -61:sc= -0.625! USER MOD Set 1.5: A 388 HIS : no HE2:sc= 0.421 K(o=4.8,f=-2.2!) USER MOD Set 2.1: A 342 HIS : no HD1:sc= -0.0972 K(o=1.2,f=-6.4!) USER MOD Set 2.2: A 384 TYR OH : rot -109:sc= 1.31 USER MOD Set 3.1: A 343 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 345 ASN : amide:sc= -0.402 K(o=-0.4,f=-1.9) USER MOD Set 4.1: A 327 CYS SG : rot 156:sc= -2.28! USER MOD Set 4.2: A 330 CYS SG : rot -52:sc= -2.46! USER MOD Set 4.3: A 351 HIS : no HD1:sc= -4.42 K(o=-10,f=-18!) USER MOD Set 4.4: A 354 CYS SG : rot -159:sc= -1.25! USER MOD Single : A 326 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 328 TYR OH : rot 161:sc= 1.44 USER MOD Single : A 331 LYS NZ :NH3+ 162:sc= -0.0449 (180deg=-0.345) USER MOD Single : A 332 GLN :FLIP amide:sc= -0.0323 F(o=-1,f=-0.032) USER MOD Single : A 333 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 338 SER OG : rot 174:sc= 0.22 USER MOD Single : A 340 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.54) USER MOD Single : A 347 TYR OH : rot 180:sc= 0 USER MOD Single : A 353 THR OG1 : rot 180:sc= 0 USER MOD Single : A 356 GLN :FLIP amide:sc= -0.594 F(o=-1.5,f=-0.59) USER MOD Single : A 357 LYS NZ :NH3+ -172:sc=-0.00505 (180deg=-0.113) USER MOD Single : A 361 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 MET CE :methyl -168:sc= 0 (180deg=-0.0851) USER MOD Single : A 363 LYS NZ :NH3+ 168:sc= -0.031 (180deg=-0.182) USER MOD Single : A 364 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 368 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 180:sc= -0.0575 USER MOD Single : A 375 THR OG1 : rot 180:sc= -0.417 USER MOD Single : A 376 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 382 THR OG1 : rot 139:sc= 1.3 USER MOD Single : A 389 THR OG1 : rot 20:sc= 0.855 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 325 -1.151 7.444 -3.932 1.00 0.00 N ATOM 160 CA LEU A 325 -1.131 7.725 -5.360 1.00 0.00 C ATOM 161 C LEU A 325 -2.287 7.001 -6.042 1.00 0.00 C ATOM 162 O LEU A 325 -3.021 6.253 -5.394 1.00 0.00 O ATOM 163 CB LEU A 325 0.203 7.290 -5.993 1.00 0.00 C ATOM 164 CG LEU A 325 1.463 8.047 -5.532 1.00 0.00 C ATOM 165 CD1 LEU A 325 1.261 9.552 -5.621 1.00 0.00 C ATOM 166 CD2 LEU A 325 1.870 7.646 -4.121 1.00 0.00 C ATOM 0 HA LEU A 325 -1.238 8.801 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 325 0.348 6.229 -5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 325 0.118 7.396 -7.074 1.00 0.00 H new ATOM 0 HG LEU A 325 2.273 7.769 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 325 2.166 10.061 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 325 1.046 9.830 -6.653 1.00 0.00 H new ATOM 0 HD13 LEU A 325 0.426 9.845 -4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 325 2.762 8.199 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 325 1.059 7.874 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 325 2.081 6.577 -4.093 1.00 0.00 H new ATOM 178 N THR A 326 -2.455 7.214 -7.341 1.00 0.00 N ATOM 179 CA THR A 326 -3.538 6.568 -8.060 1.00 0.00 C ATOM 180 C THR A 326 -3.161 5.144 -8.442 1.00 0.00 C ATOM 181 O THR A 326 -2.084 4.890 -8.979 1.00 0.00 O ATOM 182 CB THR A 326 -3.960 7.342 -9.318 1.00 0.00 C ATOM 183 OG1 THR A 326 -4.057 8.745 -9.016 1.00 0.00 O ATOM 184 CG2 THR A 326 -5.311 6.830 -9.824 1.00 0.00 C ATOM 0 H THR A 326 -1.863 7.820 -7.909 1.00 0.00 H new ATOM 0 HA THR A 326 -4.389 6.552 -7.380 1.00 0.00 H new ATOM 0 HB THR A 326 -3.210 7.190 -10.094 1.00 0.00 H new ATOM 0 HG1 THR A 326 -4.325 9.235 -9.821 1.00 0.00 H new ATOM 0 HG21 THR A 326 -5.600 7.386 -10.716 1.00 0.00 H new ATOM 0 HG22 THR A 326 -5.231 5.770 -10.067 1.00 0.00 H new ATOM 0 HG23 THR A 326 -6.066 6.968 -9.050 1.00 0.00 H new ATOM 192 N CYS A 327 -4.065 4.234 -8.146 1.00 0.00 N ATOM 193 CA CYS A 327 -3.867 2.818 -8.388 1.00 0.00 C ATOM 194 C CYS A 327 -4.156 2.489 -9.854 1.00 0.00 C ATOM 195 O CYS A 327 -4.935 3.186 -10.509 1.00 0.00 O ATOM 196 CB CYS A 327 -4.822 2.059 -7.458 1.00 0.00 C ATOM 197 SG CYS A 327 -4.587 0.268 -7.346 1.00 0.00 S ATOM 0 H CYS A 327 -4.967 4.457 -7.726 1.00 0.00 H new ATOM 0 HA CYS A 327 -2.836 2.528 -8.187 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -4.728 2.479 -6.456 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -5.843 2.249 -7.789 1.00 0.00 H new ATOM 0 HG CYS A 327 -5.070 -0.163 -6.219 1.00 0.00 H new ATOM 202 N TYR A 328 -3.500 1.462 -10.387 1.00 0.00 N ATOM 203 CA TYR A 328 -3.856 0.965 -11.710 1.00 0.00 C ATOM 204 C TYR A 328 -4.782 -0.246 -11.579 1.00 0.00 C ATOM 205 O TYR A 328 -5.652 -0.473 -12.421 1.00 0.00 O ATOM 206 CB TYR A 328 -2.610 0.629 -12.546 1.00 0.00 C ATOM 207 CG TYR A 328 -1.829 -0.575 -12.071 1.00 0.00 C ATOM 208 CD1 TYR A 328 -0.849 -0.455 -11.097 1.00 0.00 C ATOM 209 CD2 TYR A 328 -2.071 -1.832 -12.605 1.00 0.00 C ATOM 210 CE1 TYR A 328 -0.135 -1.555 -10.665 1.00 0.00 C ATOM 211 CE2 TYR A 328 -1.361 -2.934 -12.180 1.00 0.00 C ATOM 212 CZ TYR A 328 -0.394 -2.791 -11.213 1.00 0.00 C ATOM 213 OH TYR A 328 0.303 -3.892 -10.783 1.00 0.00 O ATOM 0 H TYR A 328 -2.733 0.966 -9.932 1.00 0.00 H new ATOM 0 HA TYR A 328 -4.387 1.755 -12.241 1.00 0.00 H new ATOM 0 HB2 TYR A 328 -2.918 0.460 -13.578 1.00 0.00 H new ATOM 0 HB3 TYR A 328 -1.948 1.495 -12.549 1.00 0.00 H new ATOM 0 HD1 TYR A 328 -0.641 0.515 -10.669 1.00 0.00 H new ATOM 0 HD2 TYR A 328 -2.828 -1.949 -13.366 1.00 0.00 H new ATOM 0 HE1 TYR A 328 0.622 -1.446 -9.902 1.00 0.00 H new ATOM 0 HE2 TYR A 328 -1.563 -3.906 -12.605 1.00 0.00 H new ATOM 0 HH TYR A 328 -0.186 -4.705 -11.028 1.00 0.00 H new ATOM 223 N LEU A 329 -4.593 -1.021 -10.512 1.00 0.00 N ATOM 224 CA LEU A 329 -5.539 -2.074 -10.164 1.00 0.00 C ATOM 225 C LEU A 329 -6.690 -1.442 -9.394 1.00 0.00 C ATOM 226 O LEU A 329 -6.671 -1.402 -8.148 1.00 0.00 O ATOM 227 CB LEU A 329 -4.864 -3.174 -9.339 1.00 0.00 C ATOM 228 CG LEU A 329 -3.802 -3.992 -10.083 1.00 0.00 C ATOM 229 CD1 LEU A 329 -3.124 -4.972 -9.140 1.00 0.00 C ATOM 230 CD2 LEU A 329 -4.422 -4.733 -11.257 1.00 0.00 C ATOM 0 H LEU A 329 -3.798 -0.939 -9.879 1.00 0.00 H new ATOM 0 HA LEU A 329 -5.915 -2.546 -11.072 1.00 0.00 H new ATOM 0 HB2 LEU A 329 -4.400 -2.717 -8.465 1.00 0.00 H new ATOM 0 HB3 LEU A 329 -5.633 -3.855 -8.973 1.00 0.00 H new ATOM 0 HG LEU A 329 -3.049 -3.303 -10.467 1.00 0.00 H new ATOM 0 HD11 LEU A 329 -2.374 -5.543 -9.687 1.00 0.00 H new ATOM 0 HD12 LEU A 329 -2.643 -4.424 -8.330 1.00 0.00 H new ATOM 0 HD13 LEU A 329 -3.868 -5.653 -8.726 1.00 0.00 H new ATOM 0 HD21 LEU A 329 -3.652 -5.308 -11.772 1.00 0.00 H new ATOM 0 HD22 LEU A 329 -5.196 -5.408 -10.893 1.00 0.00 H new ATOM 0 HD23 LEU A 329 -4.863 -4.015 -11.949 1.00 0.00 H new ATOM 242 N CYS A 330 -7.663 -0.954 -10.176 1.00 0.00 N ATOM 243 CA CYS A 330 -8.711 -0.009 -9.755 1.00 0.00 C ATOM 244 C CYS A 330 -8.176 1.411 -9.916 1.00 0.00 C ATOM 245 O CYS A 330 -7.032 1.682 -9.571 1.00 0.00 O ATOM 246 CB CYS A 330 -9.209 -0.232 -8.317 1.00 0.00 C ATOM 247 SG CYS A 330 -8.151 0.484 -7.030 1.00 0.00 S ATOM 0 H CYS A 330 -7.746 -1.216 -11.158 1.00 0.00 H new ATOM 0 HA CYS A 330 -9.578 -0.178 -10.393 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -10.209 0.191 -8.223 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -9.299 -1.304 -8.140 1.00 0.00 H new ATOM 0 HG CYS A 330 -6.927 0.082 -7.201 1.00 0.00 H new ATOM 252 N LYS A 331 -9.003 2.318 -10.413 1.00 0.00 N ATOM 253 CA LYS A 331 -8.546 3.652 -10.787 1.00 0.00 C ATOM 254 C LYS A 331 -8.962 4.634 -9.708 1.00 0.00 C ATOM 255 O LYS A 331 -9.493 5.712 -9.964 1.00 0.00 O ATOM 256 CB LYS A 331 -9.125 4.056 -12.144 1.00 0.00 C ATOM 257 CG LYS A 331 -8.352 5.182 -12.815 1.00 0.00 C ATOM 258 CD LYS A 331 -8.916 5.515 -14.183 1.00 0.00 C ATOM 259 CE LYS A 331 -8.040 6.522 -14.910 1.00 0.00 C ATOM 260 NZ LYS A 331 -6.690 5.971 -15.208 1.00 0.00 N ATOM 0 H LYS A 331 -9.998 2.156 -10.568 1.00 0.00 H new ATOM 0 HA LYS A 331 -7.460 3.655 -10.877 1.00 0.00 H new ATOM 0 HB2 LYS A 331 -9.132 3.187 -12.802 1.00 0.00 H new ATOM 0 HB3 LYS A 331 -10.162 4.364 -12.012 1.00 0.00 H new ATOM 0 HG2 LYS A 331 -8.382 6.070 -12.184 1.00 0.00 H new ATOM 0 HG3 LYS A 331 -7.305 4.896 -12.913 1.00 0.00 H new ATOM 0 HD2 LYS A 331 -8.997 4.605 -14.777 1.00 0.00 H new ATOM 0 HD3 LYS A 331 -9.924 5.917 -14.076 1.00 0.00 H new ATOM 0 HE2 LYS A 331 -8.524 6.819 -15.840 1.00 0.00 H new ATOM 0 HE3 LYS A 331 -7.939 7.421 -14.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 -6.237 6.543 -15.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 -6.107 5.996 -14.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 -6.781 4.988 -15.536 1.00 0.00 H new ATOM 274 N GLN A 332 -8.689 4.223 -8.495 1.00 0.00 N ATOM 275 CA GLN A 332 -9.076 4.943 -7.300 1.00 0.00 C ATOM 276 C GLN A 332 -7.859 5.103 -6.411 1.00 0.00 C ATOM 277 O GLN A 332 -7.334 4.125 -5.891 1.00 0.00 O ATOM 278 CB GLN A 332 -10.171 4.177 -6.555 1.00 0.00 C ATOM 279 CG GLN A 332 -11.470 4.044 -7.338 1.00 0.00 C ATOM 280 CD GLN A 332 -12.484 3.128 -6.670 1.00 0.00 C ATOM 281 OE1 GLN A 332 -12.011 2.068 -6.023 1.00 0.00 O flip ATOM 282 NE2 GLN A 332 -13.691 3.354 -6.762 1.00 0.00 N flip ATOM 0 H GLN A 332 -8.180 3.360 -8.303 1.00 0.00 H new ATOM 0 HA GLN A 332 -9.466 5.924 -7.573 1.00 0.00 H new ATOM 0 HB2 GLN A 332 -9.802 3.181 -6.310 1.00 0.00 H new ATOM 0 HB3 GLN A 332 -10.377 4.682 -5.611 1.00 0.00 H new ATOM 0 HG2 GLN A 332 -11.912 5.032 -7.466 1.00 0.00 H new ATOM 0 HG3 GLN A 332 -11.248 3.663 -8.335 1.00 0.00 H new ATOM 0 HE21 GLN A 332 -14.019 4.178 -7.266 1.00 0.00 H new ATOM 0 HE22 GLN A 332 -14.363 2.717 -6.334 1.00 0.00 H new ATOM 291 N LYS A 333 -7.393 6.325 -6.281 1.00 0.00 N ATOM 292 CA LYS A 333 -6.195 6.611 -5.498 1.00 0.00 C ATOM 293 C LYS A 333 -6.358 6.234 -4.018 1.00 0.00 C ATOM 294 O LYS A 333 -5.731 5.280 -3.539 1.00 0.00 O ATOM 295 CB LYS A 333 -5.782 8.088 -5.653 1.00 0.00 C ATOM 296 CG LYS A 333 -6.908 9.093 -5.443 1.00 0.00 C ATOM 297 CD LYS A 333 -6.432 10.526 -5.638 1.00 0.00 C ATOM 298 CE LYS A 333 -5.982 10.788 -7.070 1.00 0.00 C ATOM 299 NZ LYS A 333 -5.561 12.202 -7.271 1.00 0.00 N ATOM 0 H LYS A 333 -7.823 7.146 -6.707 1.00 0.00 H new ATOM 0 HA LYS A 333 -5.396 5.984 -5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 333 -4.984 8.304 -4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 333 -5.367 8.232 -6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 333 -7.719 8.881 -6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 333 -7.314 8.979 -4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 333 -7.237 11.214 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 333 -5.607 10.730 -4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 333 -5.154 10.124 -7.317 1.00 0.00 H new ATOM 0 HE3 LYS A 333 -6.796 10.551 -7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 333 -5.262 12.338 -8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 333 -6.359 12.835 -7.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 333 -4.767 12.422 -6.636 1.00 0.00 H new ATOM 313 N GLY A 334 -7.224 6.941 -3.309 1.00 0.00 N ATOM 314 CA GLY A 334 -7.303 6.780 -1.873 1.00 0.00 C ATOM 315 C GLY A 334 -8.429 5.875 -1.429 1.00 0.00 C ATOM 316 O GLY A 334 -9.581 6.299 -1.366 1.00 0.00 O ATOM 0 H GLY A 334 -7.873 7.623 -3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 334 -6.358 6.377 -1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 334 -7.431 7.759 -1.412 1.00 0.00 H new ATOM 320 N VAL A 335 -8.097 4.625 -1.136 1.00 0.00 N ATOM 321 CA VAL A 335 -9.054 3.702 -0.534 1.00 0.00 C ATOM 322 C VAL A 335 -8.553 3.244 0.831 1.00 0.00 C ATOM 323 O VAL A 335 -9.328 2.833 1.690 1.00 0.00 O ATOM 324 CB VAL A 335 -9.320 2.460 -1.417 1.00 0.00 C ATOM 325 CG1 VAL A 335 -9.792 2.867 -2.806 1.00 0.00 C ATOM 326 CG2 VAL A 335 -8.089 1.570 -1.505 1.00 0.00 C ATOM 0 H VAL A 335 -7.174 4.226 -1.305 1.00 0.00 H new ATOM 0 HA VAL A 335 -9.993 4.246 -0.432 1.00 0.00 H new ATOM 0 HB VAL A 335 -10.115 1.885 -0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -9.971 1.974 -3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -10.715 3.440 -2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -9.027 3.478 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 335 -8.309 0.706 -2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 335 -7.263 2.133 -1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 335 -7.812 1.232 -0.506 1.00 0.00 H new ATOM 336 N GLY A 336 -7.240 3.302 1.010 1.00 0.00 N ATOM 337 CA GLY A 336 -6.641 2.948 2.279 1.00 0.00 C ATOM 338 C GLY A 336 -5.134 3.098 2.254 1.00 0.00 C ATOM 339 O GLY A 336 -4.585 4.020 2.857 1.00 0.00 O ATOM 0 H GLY A 336 -6.576 3.590 0.292 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -7.056 3.579 3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -6.899 1.919 2.528 1.00 0.00 H new ATOM 343 N ALA A 337 -4.466 2.214 1.525 1.00 0.00 N ATOM 344 CA ALA A 337 -3.010 2.211 1.478 1.00 0.00 C ATOM 345 C ALA A 337 -2.521 1.934 0.065 1.00 0.00 C ATOM 346 O ALA A 337 -3.073 1.075 -0.635 1.00 0.00 O ATOM 347 CB ALA A 337 -2.449 1.180 2.449 1.00 0.00 C ATOM 0 H ALA A 337 -4.909 1.490 0.959 1.00 0.00 H new ATOM 0 HA ALA A 337 -2.654 3.197 1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 337 -1.360 1.190 2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 337 -2.771 1.422 3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 337 -2.814 0.189 2.179 1.00 0.00 H new ATOM 353 N SER A 338 -1.503 2.666 -0.355 1.00 0.00 N ATOM 354 CA SER A 338 -0.947 2.501 -1.683 1.00 0.00 C ATOM 355 C SER A 338 0.552 2.237 -1.620 1.00 0.00 C ATOM 356 O SER A 338 1.283 2.907 -0.892 1.00 0.00 O ATOM 357 CB SER A 338 -1.234 3.742 -2.529 1.00 0.00 C ATOM 358 OG SER A 338 -0.803 4.920 -1.869 1.00 0.00 O ATOM 0 H SER A 338 -1.045 3.382 0.208 1.00 0.00 H new ATOM 0 HA SER A 338 -1.421 1.637 -2.148 1.00 0.00 H new ATOM 0 HB2 SER A 338 -0.729 3.655 -3.491 1.00 0.00 H new ATOM 0 HB3 SER A 338 -2.302 3.807 -2.735 1.00 0.00 H new ATOM 0 HG SER A 338 -0.913 5.689 -2.467 1.00 0.00 H new ATOM 364 N ILE A 339 0.991 1.249 -2.378 1.00 0.00 N ATOM 365 CA ILE A 339 2.402 0.932 -2.499 1.00 0.00 C ATOM 366 C ILE A 339 2.819 1.140 -3.951 1.00 0.00 C ATOM 367 O ILE A 339 1.996 1.011 -4.860 1.00 0.00 O ATOM 368 CB ILE A 339 2.698 -0.517 -2.034 1.00 0.00 C ATOM 369 CG1 ILE A 339 4.201 -0.820 -2.109 1.00 0.00 C ATOM 370 CG2 ILE A 339 1.899 -1.520 -2.857 1.00 0.00 C ATOM 371 CD1 ILE A 339 4.576 -2.182 -1.563 1.00 0.00 C ATOM 0 H ILE A 339 0.380 0.644 -2.927 1.00 0.00 H new ATOM 0 HA ILE A 339 2.980 1.592 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 339 2.389 -0.610 -0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 339 4.525 -0.753 -3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 339 4.745 -0.054 -1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 339 2.121 -2.531 -2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 339 0.834 -1.322 -2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 339 2.170 -1.425 -3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 339 5.653 -2.325 -1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 339 4.284 -2.247 -0.515 1.00 0.00 H new ATOM 0 HD13 ILE A 339 4.061 -2.956 -2.131 1.00 0.00 H new ATOM 383 N GLN A 340 4.073 1.478 -4.174 1.00 0.00 N ATOM 384 CA GLN A 340 4.508 1.870 -5.492 1.00 0.00 C ATOM 385 C GLN A 340 5.611 0.949 -5.984 1.00 0.00 C ATOM 386 O GLN A 340 6.535 0.611 -5.244 1.00 0.00 O ATOM 387 CB GLN A 340 4.977 3.324 -5.474 1.00 0.00 C ATOM 388 CG GLN A 340 4.984 3.984 -6.846 1.00 0.00 C ATOM 389 CD GLN A 340 5.250 5.441 -6.792 1.00 0.00 C ATOM 390 OE1 GLN A 340 5.870 5.955 -5.866 1.00 0.00 O ATOM 391 NE2 GLN A 340 4.822 6.108 -7.820 1.00 0.00 N ATOM 0 H GLN A 340 4.803 1.488 -3.461 1.00 0.00 H new ATOM 0 HA GLN A 340 3.669 1.786 -6.182 1.00 0.00 H new ATOM 0 HB2 GLN A 340 4.330 3.896 -4.809 1.00 0.00 H new ATOM 0 HB3 GLN A 340 5.983 3.367 -5.055 1.00 0.00 H new ATOM 0 HG2 GLN A 340 5.741 3.506 -7.468 1.00 0.00 H new ATOM 0 HG3 GLN A 340 4.021 3.815 -7.328 1.00 0.00 H new ATOM 0 HE21 GLN A 340 4.311 5.629 -8.562 1.00 0.00 H new ATOM 0 HE22 GLN A 340 4.996 7.111 -7.886 1.00 0.00 H new ATOM 400 N CYS A 341 5.468 0.518 -7.226 1.00 0.00 N ATOM 401 CA CYS A 341 6.466 -0.306 -7.889 1.00 0.00 C ATOM 402 C CYS A 341 7.803 0.399 -7.903 1.00 0.00 C ATOM 403 O CYS A 341 7.877 1.603 -8.149 1.00 0.00 O ATOM 404 CB CYS A 341 6.048 -0.627 -9.328 1.00 0.00 C ATOM 405 SG CYS A 341 7.303 -1.512 -10.304 1.00 0.00 S ATOM 0 H CYS A 341 4.655 0.730 -7.805 1.00 0.00 H new ATOM 0 HA CYS A 341 6.550 -1.239 -7.331 1.00 0.00 H new ATOM 0 HB2 CYS A 341 5.138 -1.226 -9.303 1.00 0.00 H new ATOM 0 HB3 CYS A 341 5.802 0.305 -9.837 1.00 0.00 H new ATOM 0 HG CYS A 341 7.580 -0.830 -11.376 1.00 0.00 H new ATOM 410 N HIS A 342 8.843 -0.375 -7.658 1.00 0.00 N ATOM 411 CA HIS A 342 10.200 0.139 -7.601 1.00 0.00 C ATOM 412 C HIS A 342 10.655 0.610 -8.993 1.00 0.00 C ATOM 413 O HIS A 342 9.892 0.541 -9.963 1.00 0.00 O ATOM 414 CB HIS A 342 11.114 -0.957 -7.041 1.00 0.00 C ATOM 415 CG HIS A 342 12.392 -0.472 -6.429 1.00 0.00 C ATOM 416 ND1 HIS A 342 13.552 -1.214 -6.444 1.00 0.00 N ATOM 417 CD2 HIS A 342 12.681 0.664 -5.755 1.00 0.00 C ATOM 418 CE1 HIS A 342 14.499 -0.554 -5.805 1.00 0.00 C ATOM 419 NE2 HIS A 342 14.000 0.591 -5.378 1.00 0.00 N ATOM 0 H HIS A 342 8.772 -1.379 -7.493 1.00 0.00 H new ATOM 0 HA HIS A 342 10.248 1.006 -6.943 1.00 0.00 H new ATOM 0 HB2 HIS A 342 10.561 -1.520 -6.289 1.00 0.00 H new ATOM 0 HB3 HIS A 342 11.356 -1.652 -7.845 1.00 0.00 H new ATOM 0 HD2 HIS A 342 12.001 1.478 -5.551 1.00 0.00 H new ATOM 0 HE1 HIS A 342 15.513 -0.894 -5.656 1.00 0.00 H new ATOM 0 HE2 HIS A 342 14.509 1.303 -4.855 1.00 0.00 H new ATOM 428 N LYS A 343 11.910 1.035 -9.080 1.00 0.00 N ATOM 429 CA LYS A 343 12.430 1.785 -10.222 1.00 0.00 C ATOM 430 C LYS A 343 11.802 3.166 -10.310 1.00 0.00 C ATOM 431 O LYS A 343 10.582 3.329 -10.259 1.00 0.00 O ATOM 432 CB LYS A 343 12.265 1.048 -11.545 1.00 0.00 C ATOM 433 CG LYS A 343 13.279 -0.054 -11.752 1.00 0.00 C ATOM 434 CD LYS A 343 13.366 -0.432 -13.214 1.00 0.00 C ATOM 435 CE LYS A 343 14.088 0.629 -14.029 1.00 0.00 C ATOM 436 NZ LYS A 343 14.097 0.295 -15.477 1.00 0.00 N ATOM 0 H LYS A 343 12.605 0.868 -8.352 1.00 0.00 H new ATOM 0 HA LYS A 343 13.500 1.892 -10.045 1.00 0.00 H new ATOM 0 HB2 LYS A 343 11.263 0.622 -11.592 1.00 0.00 H new ATOM 0 HB3 LYS A 343 12.346 1.764 -12.363 1.00 0.00 H new ATOM 0 HG2 LYS A 343 14.256 0.273 -11.397 1.00 0.00 H new ATOM 0 HG3 LYS A 343 13.001 -0.927 -11.161 1.00 0.00 H new ATOM 0 HD2 LYS A 343 13.888 -1.384 -13.313 1.00 0.00 H new ATOM 0 HD3 LYS A 343 12.362 -0.576 -13.613 1.00 0.00 H new ATOM 0 HE2 LYS A 343 13.604 1.594 -13.881 1.00 0.00 H new ATOM 0 HE3 LYS A 343 15.113 0.728 -13.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 343 14.598 1.040 -16.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 343 14.581 -0.614 -15.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 343 13.119 0.225 -15.823 1.00 0.00 H new ATOM 450 N ALA A 344 12.658 4.150 -10.497 1.00 0.00 N ATOM 451 CA ALA A 344 12.260 5.551 -10.421 1.00 0.00 C ATOM 452 C ALA A 344 11.568 5.996 -11.697 1.00 0.00 C ATOM 453 O ALA A 344 10.695 6.864 -11.679 1.00 0.00 O ATOM 454 CB ALA A 344 13.469 6.423 -10.150 1.00 0.00 C ATOM 0 H ALA A 344 13.646 4.008 -10.705 1.00 0.00 H new ATOM 0 HA ALA A 344 11.552 5.657 -9.599 1.00 0.00 H new ATOM 0 HB1 ALA A 344 13.160 7.467 -10.095 1.00 0.00 H new ATOM 0 HB2 ALA A 344 13.925 6.129 -9.204 1.00 0.00 H new ATOM 0 HB3 ALA A 344 14.194 6.301 -10.955 1.00 0.00 H new ATOM 460 N ASN A 345 11.967 5.391 -12.799 1.00 0.00 N ATOM 461 CA ASN A 345 11.376 5.688 -14.096 1.00 0.00 C ATOM 462 C ASN A 345 10.246 4.708 -14.406 1.00 0.00 C ATOM 463 O ASN A 345 9.818 4.572 -15.554 1.00 0.00 O ATOM 464 CB ASN A 345 12.444 5.662 -15.196 1.00 0.00 C ATOM 465 CG ASN A 345 13.413 4.506 -15.060 1.00 0.00 C ATOM 466 OD1 ASN A 345 13.164 3.406 -15.550 1.00 0.00 O ATOM 467 ND2 ASN A 345 14.536 4.755 -14.399 1.00 0.00 N ATOM 0 H ASN A 345 12.703 4.685 -12.825 1.00 0.00 H new ATOM 0 HA ASN A 345 10.954 6.692 -14.062 1.00 0.00 H new ATOM 0 HB2 ASN A 345 11.954 5.604 -16.168 1.00 0.00 H new ATOM 0 HB3 ASN A 345 13.001 6.599 -15.175 1.00 0.00 H new ATOM 0 HD21 ASN A 345 15.233 4.019 -14.282 1.00 0.00 H new ATOM 0 HD22 ASN A 345 14.703 5.682 -14.008 1.00 0.00 H new ATOM 474 N CYS A 346 9.770 4.031 -13.368 1.00 0.00 N ATOM 475 CA CYS A 346 8.599 3.174 -13.478 1.00 0.00 C ATOM 476 C CYS A 346 7.472 3.770 -12.641 1.00 0.00 C ATOM 477 O CYS A 346 6.466 4.224 -13.185 1.00 0.00 O ATOM 478 CB CYS A 346 8.918 1.749 -13.009 1.00 0.00 C ATOM 479 SG CYS A 346 7.544 0.578 -13.185 1.00 0.00 S ATOM 0 H CYS A 346 10.181 4.061 -12.435 1.00 0.00 H new ATOM 0 HA CYS A 346 8.292 3.117 -14.522 1.00 0.00 H new ATOM 0 HB2 CYS A 346 9.772 1.376 -13.574 1.00 0.00 H new ATOM 0 HB3 CYS A 346 9.219 1.783 -11.962 1.00 0.00 H new ATOM 0 HG CYS A 346 6.498 1.040 -12.566 1.00 0.00 H new ATOM 484 N TYR A 347 7.672 3.782 -11.317 1.00 0.00 N ATOM 485 CA TYR A 347 6.725 4.389 -10.375 1.00 0.00 C ATOM 486 C TYR A 347 5.282 3.995 -10.666 1.00 0.00 C ATOM 487 O TYR A 347 4.462 4.828 -11.063 1.00 0.00 O ATOM 488 CB TYR A 347 6.868 5.914 -10.373 1.00 0.00 C ATOM 489 CG TYR A 347 7.988 6.443 -9.500 1.00 0.00 C ATOM 490 CD1 TYR A 347 8.806 5.589 -8.771 1.00 0.00 C ATOM 491 CD2 TYR A 347 8.215 7.810 -9.397 1.00 0.00 C ATOM 492 CE1 TYR A 347 9.816 6.081 -7.968 1.00 0.00 C ATOM 493 CE2 TYR A 347 9.220 8.310 -8.593 1.00 0.00 C ATOM 494 CZ TYR A 347 10.019 7.443 -7.883 1.00 0.00 C ATOM 495 OH TYR A 347 11.018 7.939 -7.079 1.00 0.00 O ATOM 0 H TYR A 347 8.492 3.372 -10.870 1.00 0.00 H new ATOM 0 HA TYR A 347 6.973 4.004 -9.386 1.00 0.00 H new ATOM 0 HB2 TYR A 347 7.033 6.251 -11.396 1.00 0.00 H new ATOM 0 HB3 TYR A 347 5.928 6.353 -10.040 1.00 0.00 H new ATOM 0 HD1 TYR A 347 8.649 4.522 -8.833 1.00 0.00 H new ATOM 0 HD2 TYR A 347 7.594 8.494 -9.956 1.00 0.00 H new ATOM 0 HE1 TYR A 347 10.444 5.403 -7.409 1.00 0.00 H new ATOM 0 HE2 TYR A 347 9.378 9.376 -8.522 1.00 0.00 H new ATOM 0 HH TYR A 347 11.027 8.917 -7.134 1.00 0.00 H new ATOM 505 N THR A 348 4.978 2.729 -10.460 1.00 0.00 N ATOM 506 CA THR A 348 3.632 2.227 -10.689 1.00 0.00 C ATOM 507 C THR A 348 2.901 2.101 -9.360 1.00 0.00 C ATOM 508 O THR A 348 3.334 1.357 -8.487 1.00 0.00 O ATOM 509 CB THR A 348 3.664 0.853 -11.377 1.00 0.00 C ATOM 510 OG1 THR A 348 4.765 0.788 -12.295 1.00 0.00 O ATOM 511 CG2 THR A 348 2.369 0.589 -12.125 1.00 0.00 C ATOM 0 H THR A 348 5.643 2.027 -10.135 1.00 0.00 H new ATOM 0 HA THR A 348 3.113 2.931 -11.339 1.00 0.00 H new ATOM 0 HB THR A 348 3.784 0.092 -10.605 1.00 0.00 H new ATOM 0 HG1 THR A 348 4.956 -0.149 -12.511 1.00 0.00 H new ATOM 0 HG21 THR A 348 2.418 -0.390 -12.603 1.00 0.00 H new ATOM 0 HG22 THR A 348 1.534 0.610 -11.425 1.00 0.00 H new ATOM 0 HG23 THR A 348 2.225 1.357 -12.885 1.00 0.00 H new ATOM 519 N ALA A 349 1.795 2.805 -9.205 1.00 0.00 N ATOM 520 CA ALA A 349 1.122 2.855 -7.918 1.00 0.00 C ATOM 521 C ALA A 349 -0.072 1.912 -7.873 1.00 0.00 C ATOM 522 O ALA A 349 -0.870 1.844 -8.809 1.00 0.00 O ATOM 523 CB ALA A 349 0.687 4.274 -7.601 1.00 0.00 C ATOM 0 H ALA A 349 1.346 3.345 -9.945 1.00 0.00 H new ATOM 0 HA ALA A 349 1.833 2.526 -7.161 1.00 0.00 H new ATOM 0 HB1 ALA A 349 0.185 4.293 -6.634 1.00 0.00 H new ATOM 0 HB2 ALA A 349 1.561 4.924 -7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 349 0.002 4.625 -8.373 1.00 0.00 H new ATOM 529 N PHE A 350 -0.173 1.174 -6.779 1.00 0.00 N ATOM 530 CA PHE A 350 -1.283 0.261 -6.560 1.00 0.00 C ATOM 531 C PHE A 350 -1.552 0.117 -5.066 1.00 0.00 C ATOM 532 O PHE A 350 -0.906 0.767 -4.252 1.00 0.00 O ATOM 533 CB PHE A 350 -1.022 -1.107 -7.216 1.00 0.00 C ATOM 534 CG PHE A 350 0.351 -1.683 -6.981 1.00 0.00 C ATOM 535 CD1 PHE A 350 1.453 -1.177 -7.654 1.00 0.00 C ATOM 536 CD2 PHE A 350 0.537 -2.746 -6.112 1.00 0.00 C ATOM 537 CE1 PHE A 350 2.708 -1.713 -7.465 1.00 0.00 C ATOM 538 CE2 PHE A 350 1.795 -3.285 -5.917 1.00 0.00 C ATOM 539 CZ PHE A 350 2.881 -2.769 -6.595 1.00 0.00 C ATOM 0 H PHE A 350 0.509 1.191 -6.021 1.00 0.00 H new ATOM 0 HA PHE A 350 -2.172 0.678 -7.033 1.00 0.00 H new ATOM 0 HB2 PHE A 350 -1.763 -1.816 -6.847 1.00 0.00 H new ATOM 0 HB3 PHE A 350 -1.179 -1.012 -8.290 1.00 0.00 H new ATOM 0 HD1 PHE A 350 1.325 -0.350 -8.337 1.00 0.00 H new ATOM 0 HD2 PHE A 350 -0.309 -3.158 -5.582 1.00 0.00 H new ATOM 0 HE1 PHE A 350 3.555 -1.307 -7.997 1.00 0.00 H new ATOM 0 HE2 PHE A 350 1.928 -4.111 -5.234 1.00 0.00 H new ATOM 0 HZ PHE A 350 3.864 -3.191 -6.445 1.00 0.00 H new ATOM 549 N HIS A 351 -2.515 -0.716 -4.702 1.00 0.00 N ATOM 550 CA HIS A 351 -2.892 -0.868 -3.300 1.00 0.00 C ATOM 551 C HIS A 351 -2.343 -2.168 -2.740 1.00 0.00 C ATOM 552 O HIS A 351 -2.095 -3.111 -3.489 1.00 0.00 O ATOM 553 CB HIS A 351 -4.416 -0.853 -3.131 1.00 0.00 C ATOM 554 CG HIS A 351 -5.074 0.414 -3.566 1.00 0.00 C ATOM 555 ND1 HIS A 351 -6.000 0.473 -4.599 1.00 0.00 N ATOM 556 CD2 HIS A 351 -4.982 1.672 -3.065 1.00 0.00 C ATOM 557 CE1 HIS A 351 -6.439 1.723 -4.699 1.00 0.00 C ATOM 558 NE2 HIS A 351 -5.837 2.464 -3.788 1.00 0.00 N ATOM 0 H HIS A 351 -3.048 -1.295 -5.351 1.00 0.00 H new ATOM 0 HA HIS A 351 -2.468 -0.026 -2.754 1.00 0.00 H new ATOM 0 HB2 HIS A 351 -4.840 -1.681 -3.699 1.00 0.00 H new ATOM 0 HB3 HIS A 351 -4.654 -1.030 -2.082 1.00 0.00 H new ATOM 0 HD2 HIS A 351 -4.352 1.991 -2.248 1.00 0.00 H new ATOM 0 HE1 HIS A 351 -7.170 2.076 -5.411 1.00 0.00 H new ATOM 0 HE2 HIS A 351 -5.984 3.463 -3.645 1.00 0.00 H new ATOM 566 N VAL A 352 -2.168 -2.220 -1.426 1.00 0.00 N ATOM 567 CA VAL A 352 -1.726 -3.440 -0.761 1.00 0.00 C ATOM 568 C VAL A 352 -2.758 -4.550 -0.961 1.00 0.00 C ATOM 569 O VAL A 352 -2.406 -5.712 -1.165 1.00 0.00 O ATOM 570 CB VAL A 352 -1.494 -3.210 0.749 1.00 0.00 C ATOM 571 CG1 VAL A 352 -0.897 -4.450 1.399 1.00 0.00 C ATOM 572 CG2 VAL A 352 -0.599 -2.000 0.974 1.00 0.00 C ATOM 0 H VAL A 352 -2.325 -1.431 -0.799 1.00 0.00 H new ATOM 0 HA VAL A 352 -0.777 -3.737 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 352 -2.459 -3.014 1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 352 -0.742 -4.265 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 352 -1.579 -5.291 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 352 0.058 -4.683 0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 352 -0.447 -1.854 2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 352 0.364 -2.164 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 352 -1.072 -1.114 0.550 1.00 0.00 H new ATOM 582 N THR A 353 -4.035 -4.174 -0.921 1.00 0.00 N ATOM 583 CA THR A 353 -5.124 -5.109 -1.188 1.00 0.00 C ATOM 584 C THR A 353 -5.057 -5.633 -2.626 1.00 0.00 C ATOM 585 O THR A 353 -5.376 -6.793 -2.891 1.00 0.00 O ATOM 586 CB THR A 353 -6.506 -4.454 -0.927 1.00 0.00 C ATOM 587 OG1 THR A 353 -7.561 -5.371 -1.237 1.00 0.00 O ATOM 588 CG2 THR A 353 -6.689 -3.183 -1.744 1.00 0.00 C ATOM 0 H THR A 353 -4.341 -3.225 -0.705 1.00 0.00 H new ATOM 0 HA THR A 353 -5.006 -5.949 -0.503 1.00 0.00 H new ATOM 0 HB THR A 353 -6.545 -4.193 0.131 1.00 0.00 H new ATOM 0 HG1 THR A 353 -8.426 -4.944 -1.066 1.00 0.00 H new ATOM 0 HG21 THR A 353 -7.669 -2.753 -1.534 1.00 0.00 H new ATOM 0 HG22 THR A 353 -5.913 -2.465 -1.478 1.00 0.00 H new ATOM 0 HG23 THR A 353 -6.616 -3.419 -2.806 1.00 0.00 H new ATOM 596 N CYS A 354 -4.612 -4.780 -3.547 1.00 0.00 N ATOM 597 CA CYS A 354 -4.473 -5.166 -4.944 1.00 0.00 C ATOM 598 C CYS A 354 -3.269 -6.084 -5.112 1.00 0.00 C ATOM 599 O CYS A 354 -3.336 -7.093 -5.809 1.00 0.00 O ATOM 600 CB CYS A 354 -4.306 -3.928 -5.833 1.00 0.00 C ATOM 601 SG CYS A 354 -5.655 -2.720 -5.730 1.00 0.00 S ATOM 0 H CYS A 354 -4.342 -3.817 -3.347 1.00 0.00 H new ATOM 0 HA CYS A 354 -5.377 -5.694 -5.247 1.00 0.00 H new ATOM 0 HB2 CYS A 354 -3.373 -3.431 -5.566 1.00 0.00 H new ATOM 0 HB3 CYS A 354 -4.209 -4.254 -6.869 1.00 0.00 H new ATOM 0 HG CYS A 354 -5.653 -1.975 -6.796 1.00 0.00 H new ATOM 606 N ALA A 355 -2.176 -5.731 -4.444 1.00 0.00 N ATOM 607 CA ALA A 355 -0.924 -6.470 -4.553 1.00 0.00 C ATOM 608 C ALA A 355 -1.064 -7.904 -4.054 1.00 0.00 C ATOM 609 O ALA A 355 -0.656 -8.846 -4.734 1.00 0.00 O ATOM 610 CB ALA A 355 0.168 -5.755 -3.778 1.00 0.00 C ATOM 0 H ALA A 355 -2.133 -4.929 -3.815 1.00 0.00 H new ATOM 0 HA ALA A 355 -0.657 -6.513 -5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 355 1.100 -6.313 -3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 355 0.306 -4.753 -4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 355 -0.117 -5.685 -2.728 1.00 0.00 H new ATOM 616 N GLN A 356 -1.643 -8.063 -2.868 1.00 0.00 N ATOM 617 CA GLN A 356 -1.827 -9.385 -2.274 1.00 0.00 C ATOM 618 C GLN A 356 -2.781 -10.230 -3.111 1.00 0.00 C ATOM 619 O GLN A 356 -2.686 -11.455 -3.135 1.00 0.00 O ATOM 620 CB GLN A 356 -2.376 -9.262 -0.850 1.00 0.00 C ATOM 621 CG GLN A 356 -1.460 -8.513 0.099 1.00 0.00 C ATOM 622 CD GLN A 356 -2.088 -8.313 1.462 1.00 0.00 C ATOM 623 OE1 GLN A 356 -2.813 -7.218 1.618 1.00 0.00 O flip ATOM 624 NE2 GLN A 356 -1.938 -9.137 2.361 1.00 0.00 N flip ATOM 0 H GLN A 356 -1.993 -7.293 -2.298 1.00 0.00 H new ATOM 0 HA GLN A 356 -0.853 -9.874 -2.245 1.00 0.00 H new ATOM 0 HB2 GLN A 356 -3.340 -8.754 -0.885 1.00 0.00 H new ATOM 0 HB3 GLN A 356 -2.556 -10.261 -0.453 1.00 0.00 H new ATOM 0 HG2 GLN A 356 -0.525 -9.063 0.209 1.00 0.00 H new ATOM 0 HG3 GLN A 356 -1.210 -7.543 -0.330 1.00 0.00 H new ATOM 0 HE21 GLN A 356 -1.371 -9.969 2.200 1.00 0.00 H new ATOM 0 HE22 GLN A 356 -2.381 -8.989 3.268 1.00 0.00 H new ATOM 633 N LYS A 357 -3.691 -9.561 -3.800 1.00 0.00 N ATOM 634 CA LYS A 357 -4.700 -10.241 -4.593 1.00 0.00 C ATOM 635 C LYS A 357 -4.129 -10.635 -5.948 1.00 0.00 C ATOM 636 O LYS A 357 -4.453 -11.691 -6.494 1.00 0.00 O ATOM 637 CB LYS A 357 -5.905 -9.323 -4.766 1.00 0.00 C ATOM 638 CG LYS A 357 -7.218 -10.059 -4.956 1.00 0.00 C ATOM 639 CD LYS A 357 -8.395 -9.096 -4.925 1.00 0.00 C ATOM 640 CE LYS A 357 -8.383 -8.229 -3.669 1.00 0.00 C ATOM 641 NZ LYS A 357 -8.297 -9.042 -2.420 1.00 0.00 N ATOM 0 H LYS A 357 -3.751 -8.543 -3.825 1.00 0.00 H new ATOM 0 HA LYS A 357 -5.013 -11.150 -4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 357 -5.985 -8.677 -3.892 1.00 0.00 H new ATOM 0 HB3 LYS A 357 -5.735 -8.675 -5.626 1.00 0.00 H new ATOM 0 HG2 LYS A 357 -7.205 -10.592 -5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 357 -7.336 -10.807 -4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 357 -8.366 -8.458 -5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 357 -9.327 -9.659 -4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 357 -7.537 -7.543 -3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 357 -9.287 -7.620 -3.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 357 -8.428 -8.424 -1.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 357 -9.039 -9.771 -2.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 357 -7.364 -9.498 -2.366 1.00 0.00 H new ATOM 655 N ALA A 358 -3.284 -9.772 -6.491 1.00 0.00 N ATOM 656 CA ALA A 358 -2.601 -10.057 -7.747 1.00 0.00 C ATOM 657 C ALA A 358 -1.532 -11.128 -7.555 1.00 0.00 C ATOM 658 O ALA A 358 -1.280 -11.934 -8.449 1.00 0.00 O ATOM 659 CB ALA A 358 -1.982 -8.787 -8.317 1.00 0.00 C ATOM 0 H ALA A 358 -3.053 -8.867 -6.082 1.00 0.00 H new ATOM 0 HA ALA A 358 -3.339 -10.435 -8.455 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -1.476 -9.018 -9.255 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -2.765 -8.051 -8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -1.262 -8.383 -7.606 1.00 0.00 H new ATOM 665 N GLY A 359 -0.908 -11.129 -6.383 1.00 0.00 N ATOM 666 CA GLY A 359 0.129 -12.100 -6.094 1.00 0.00 C ATOM 667 C GLY A 359 1.433 -11.747 -6.772 1.00 0.00 C ATOM 668 O GLY A 359 2.184 -12.626 -7.197 1.00 0.00 O ATOM 0 H GLY A 359 -1.103 -10.473 -5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 359 0.283 -12.157 -5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.196 -13.087 -6.422 1.00 0.00 H new ATOM 672 N LEU A 360 1.701 -10.453 -6.869 1.00 0.00 N ATOM 673 CA LEU A 360 2.894 -9.966 -7.545 1.00 0.00 C ATOM 674 C LEU A 360 4.136 -10.114 -6.666 1.00 0.00 C ATOM 675 O LEU A 360 4.044 -10.511 -5.503 1.00 0.00 O ATOM 676 CB LEU A 360 2.695 -8.509 -7.996 1.00 0.00 C ATOM 677 CG LEU A 360 2.144 -7.543 -6.935 1.00 0.00 C ATOM 678 CD1 LEU A 360 3.223 -7.128 -5.941 1.00 0.00 C ATOM 679 CD2 LEU A 360 1.533 -6.323 -7.607 1.00 0.00 C ATOM 0 H LEU A 360 1.105 -9.719 -6.486 1.00 0.00 H new ATOM 0 HA LEU A 360 3.057 -10.579 -8.432 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.653 -8.124 -8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.018 -8.503 -8.850 1.00 0.00 H new ATOM 0 HG LEU A 360 1.368 -8.064 -6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 360 2.797 -6.445 -5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 360 3.610 -8.012 -5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 360 4.034 -6.630 -6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 360 1.145 -5.645 -6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 360 2.295 -5.812 -8.195 1.00 0.00 H new ATOM 0 HD23 LEU A 360 0.720 -6.637 -8.261 1.00 0.00 H new ATOM 691 N TYR A 361 5.290 -9.794 -7.235 1.00 0.00 N ATOM 692 CA TYR A 361 6.559 -9.965 -6.548 1.00 0.00 C ATOM 693 C TYR A 361 6.786 -8.862 -5.521 1.00 0.00 C ATOM 694 O TYR A 361 6.761 -7.672 -5.850 1.00 0.00 O ATOM 695 CB TYR A 361 7.715 -9.981 -7.557 1.00 0.00 C ATOM 696 CG TYR A 361 9.069 -10.221 -6.923 1.00 0.00 C ATOM 697 CD1 TYR A 361 9.827 -9.165 -6.427 1.00 0.00 C ATOM 698 CD2 TYR A 361 9.585 -11.505 -6.814 1.00 0.00 C ATOM 699 CE1 TYR A 361 11.057 -9.381 -5.843 1.00 0.00 C ATOM 700 CE2 TYR A 361 10.817 -11.730 -6.232 1.00 0.00 C ATOM 701 CZ TYR A 361 11.550 -10.667 -5.748 1.00 0.00 C ATOM 702 OH TYR A 361 12.778 -10.893 -5.162 1.00 0.00 O ATOM 0 H TYR A 361 5.371 -9.412 -8.177 1.00 0.00 H new ATOM 0 HA TYR A 361 6.526 -10.920 -6.023 1.00 0.00 H new ATOM 0 HB2 TYR A 361 7.528 -10.757 -8.299 1.00 0.00 H new ATOM 0 HB3 TYR A 361 7.735 -9.030 -8.089 1.00 0.00 H new ATOM 0 HD1 TYR A 361 9.445 -8.158 -6.501 1.00 0.00 H new ATOM 0 HD2 TYR A 361 9.014 -12.341 -7.190 1.00 0.00 H new ATOM 0 HE1 TYR A 361 11.631 -8.549 -5.462 1.00 0.00 H new ATOM 0 HE2 TYR A 361 11.205 -12.735 -6.156 1.00 0.00 H new ATOM 0 HH TYR A 361 12.975 -11.853 -5.175 1.00 0.00 H new ATOM 712 N MET A 362 7.011 -9.265 -4.280 1.00 0.00 N ATOM 713 CA MET A 362 7.375 -8.334 -3.223 1.00 0.00 C ATOM 714 C MET A 362 8.809 -8.580 -2.771 1.00 0.00 C ATOM 715 O MET A 362 9.288 -9.714 -2.759 1.00 0.00 O ATOM 716 CB MET A 362 6.427 -8.454 -2.027 1.00 0.00 C ATOM 717 CG MET A 362 5.100 -7.736 -2.217 1.00 0.00 C ATOM 718 SD MET A 362 4.018 -7.878 -0.779 1.00 0.00 S ATOM 719 CE MET A 362 2.600 -6.941 -1.338 1.00 0.00 C ATOM 0 H MET A 362 6.947 -10.237 -3.979 1.00 0.00 H new ATOM 0 HA MET A 362 7.293 -7.325 -3.626 1.00 0.00 H new ATOM 0 HB2 MET A 362 6.233 -9.509 -1.834 1.00 0.00 H new ATOM 0 HB3 MET A 362 6.922 -8.054 -1.142 1.00 0.00 H new ATOM 0 HG2 MET A 362 5.288 -6.682 -2.422 1.00 0.00 H new ATOM 0 HG3 MET A 362 4.592 -8.145 -3.090 1.00 0.00 H new ATOM 0 HE1 MET A 362 1.934 -6.752 -0.496 1.00 0.00 H new ATOM 0 HE2 MET A 362 2.933 -5.992 -1.757 1.00 0.00 H new ATOM 0 HE3 MET A 362 2.067 -7.508 -2.102 1.00 0.00 H new ATOM 729 N LYS A 363 9.484 -7.508 -2.413 1.00 0.00 N ATOM 730 CA LYS A 363 10.846 -7.564 -1.921 1.00 0.00 C ATOM 731 C LYS A 363 10.847 -7.088 -0.472 1.00 0.00 C ATOM 732 O LYS A 363 10.018 -6.269 -0.089 1.00 0.00 O ATOM 733 CB LYS A 363 11.744 -6.682 -2.796 1.00 0.00 C ATOM 734 CG LYS A 363 13.229 -6.865 -2.545 1.00 0.00 C ATOM 735 CD LYS A 363 14.052 -5.999 -3.484 1.00 0.00 C ATOM 736 CE LYS A 363 15.544 -6.177 -3.251 1.00 0.00 C ATOM 737 NZ LYS A 363 15.992 -7.573 -3.515 1.00 0.00 N ATOM 0 H LYS A 363 9.100 -6.564 -2.455 1.00 0.00 H new ATOM 0 HA LYS A 363 11.234 -8.582 -1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 363 11.535 -6.897 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 363 11.484 -5.637 -2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 363 13.461 -6.608 -1.511 1.00 0.00 H new ATOM 0 HG3 LYS A 363 13.498 -7.912 -2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 363 13.812 -6.252 -4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 363 13.784 -4.952 -3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 363 16.095 -5.492 -3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 363 15.784 -5.909 -2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 17.031 -7.605 -3.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 15.647 -8.197 -2.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 15.611 -7.893 -4.428 1.00 0.00 H new ATOM 751 N MET A 364 11.758 -7.593 0.332 1.00 0.00 N ATOM 752 CA MET A 364 11.730 -7.322 1.757 1.00 0.00 C ATOM 753 C MET A 364 13.125 -6.976 2.222 1.00 0.00 C ATOM 754 O MET A 364 14.003 -7.840 2.318 1.00 0.00 O ATOM 755 CB MET A 364 11.175 -8.528 2.526 1.00 0.00 C ATOM 756 CG MET A 364 9.757 -8.906 2.122 1.00 0.00 C ATOM 757 SD MET A 364 9.157 -10.396 2.938 1.00 0.00 S ATOM 758 CE MET A 364 7.601 -10.620 2.077 1.00 0.00 C ATOM 0 H MET A 364 12.525 -8.192 0.027 1.00 0.00 H new ATOM 0 HA MET A 364 11.070 -6.477 1.954 1.00 0.00 H new ATOM 0 HB2 MET A 364 11.830 -9.384 2.365 1.00 0.00 H new ATOM 0 HB3 MET A 364 11.194 -8.308 3.593 1.00 0.00 H new ATOM 0 HG2 MET A 364 9.087 -8.078 2.355 1.00 0.00 H new ATOM 0 HG3 MET A 364 9.721 -9.052 1.042 1.00 0.00 H new ATOM 0 HE1 MET A 364 7.096 -11.506 2.463 1.00 0.00 H new ATOM 0 HE2 MET A 364 6.970 -9.745 2.233 1.00 0.00 H new ATOM 0 HE3 MET A 364 7.790 -10.745 1.011 1.00 0.00 H new ATOM 768 N GLU A 365 13.327 -5.705 2.487 1.00 0.00 N ATOM 769 CA GLU A 365 14.641 -5.183 2.775 1.00 0.00 C ATOM 770 C GLU A 365 14.672 -4.542 4.158 1.00 0.00 C ATOM 771 O GLU A 365 13.880 -3.649 4.447 1.00 0.00 O ATOM 772 CB GLU A 365 14.995 -4.144 1.715 1.00 0.00 C ATOM 773 CG GLU A 365 14.941 -4.669 0.291 1.00 0.00 C ATOM 774 CD GLU A 365 15.037 -3.556 -0.731 1.00 0.00 C ATOM 775 OE1 GLU A 365 16.164 -3.085 -0.991 1.00 0.00 O ATOM 776 OE2 GLU A 365 13.986 -3.154 -1.274 1.00 0.00 O ATOM 0 H GLU A 365 12.585 -5.006 2.509 1.00 0.00 H new ATOM 0 HA GLU A 365 15.366 -5.997 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 365 14.311 -3.300 1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 365 15.997 -3.765 1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 365 15.756 -5.375 0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 365 14.011 -5.218 0.142 1.00 0.00 H new ATOM 783 N PRO A 366 15.556 -5.001 5.047 1.00 0.00 N ATOM 784 CA PRO A 366 15.770 -4.358 6.333 1.00 0.00 C ATOM 785 C PRO A 366 16.699 -3.160 6.193 1.00 0.00 C ATOM 786 O PRO A 366 17.828 -3.293 5.719 1.00 0.00 O ATOM 787 CB PRO A 366 16.425 -5.452 7.196 1.00 0.00 C ATOM 788 CG PRO A 366 16.571 -6.654 6.313 1.00 0.00 C ATOM 789 CD PRO A 366 16.405 -6.185 4.892 1.00 0.00 C ATOM 0 HA PRO A 366 14.845 -3.977 6.766 1.00 0.00 H new ATOM 0 HB2 PRO A 366 17.395 -5.124 7.569 1.00 0.00 H new ATOM 0 HB3 PRO A 366 15.810 -5.681 8.066 1.00 0.00 H new ATOM 0 HG2 PRO A 366 17.547 -7.118 6.453 1.00 0.00 H new ATOM 0 HG3 PRO A 366 15.822 -7.406 6.560 1.00 0.00 H new ATOM 0 HD2 PRO A 366 17.362 -5.941 4.431 1.00 0.00 H new ATOM 0 HD3 PRO A 366 15.934 -6.943 4.267 1.00 0.00 H new ATOM 797 N VAL A 367 16.220 -1.990 6.577 1.00 0.00 N ATOM 798 CA VAL A 367 17.019 -0.783 6.495 1.00 0.00 C ATOM 799 C VAL A 367 17.203 -0.172 7.877 1.00 0.00 C ATOM 800 O VAL A 367 16.330 0.529 8.392 1.00 0.00 O ATOM 801 CB VAL A 367 16.411 0.260 5.522 1.00 0.00 C ATOM 802 CG1 VAL A 367 16.626 -0.167 4.077 1.00 0.00 C ATOM 803 CG2 VAL A 367 14.924 0.461 5.785 1.00 0.00 C ATOM 0 H VAL A 367 15.280 -1.851 6.949 1.00 0.00 H new ATOM 0 HA VAL A 367 17.992 -1.069 6.096 1.00 0.00 H new ATOM 0 HB VAL A 367 16.922 1.207 5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 367 16.192 0.577 3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 367 17.694 -0.254 3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 367 16.145 -1.130 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 367 14.527 1.198 5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 367 14.400 -0.485 5.651 1.00 0.00 H new ATOM 0 HG23 VAL A 367 14.780 0.814 6.806 1.00 0.00 H new ATOM 813 N LYS A 368 18.330 -0.475 8.495 1.00 0.00 N ATOM 814 CA LYS A 368 18.605 0.028 9.824 1.00 0.00 C ATOM 815 C LYS A 368 19.056 1.478 9.750 1.00 0.00 C ATOM 816 O LYS A 368 19.994 1.819 9.026 1.00 0.00 O ATOM 817 CB LYS A 368 19.652 -0.835 10.527 1.00 0.00 C ATOM 818 CG LYS A 368 19.848 -0.481 11.996 1.00 0.00 C ATOM 819 CD LYS A 368 20.673 -1.533 12.726 1.00 0.00 C ATOM 820 CE LYS A 368 19.960 -2.876 12.760 1.00 0.00 C ATOM 821 NZ LYS A 368 20.749 -3.919 13.468 1.00 0.00 N ATOM 0 H LYS A 368 19.064 -1.063 8.100 1.00 0.00 H new ATOM 0 HA LYS A 368 17.688 -0.020 10.411 1.00 0.00 H new ATOM 0 HB2 LYS A 368 19.359 -1.882 10.450 1.00 0.00 H new ATOM 0 HB3 LYS A 368 20.604 -0.732 10.007 1.00 0.00 H new ATOM 0 HG2 LYS A 368 20.343 0.487 12.074 1.00 0.00 H new ATOM 0 HG3 LYS A 368 18.876 -0.382 12.479 1.00 0.00 H new ATOM 0 HD2 LYS A 368 21.639 -1.645 12.234 1.00 0.00 H new ATOM 0 HD3 LYS A 368 20.871 -1.199 13.745 1.00 0.00 H new ATOM 0 HE2 LYS A 368 18.994 -2.759 13.251 1.00 0.00 H new ATOM 0 HE3 LYS A 368 19.761 -3.205 11.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 20.222 -4.815 13.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 21.661 -4.052 12.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 20.917 -3.620 14.450 1.00 0.00 H new ATOM 835 N GLU A 369 18.355 2.323 10.476 1.00 0.00 N ATOM 836 CA GLU A 369 18.657 3.737 10.525 1.00 0.00 C ATOM 837 C GLU A 369 19.658 4.028 11.630 1.00 0.00 C ATOM 838 O GLU A 369 20.053 3.141 12.387 1.00 0.00 O ATOM 839 CB GLU A 369 17.386 4.561 10.733 1.00 0.00 C ATOM 840 CG GLU A 369 16.362 4.378 9.626 1.00 0.00 C ATOM 841 CD GLU A 369 15.290 5.447 9.638 1.00 0.00 C ATOM 842 OE1 GLU A 369 14.364 5.362 10.467 1.00 0.00 O ATOM 843 OE2 GLU A 369 15.374 6.380 8.808 1.00 0.00 O ATOM 0 H GLU A 369 17.558 2.048 11.050 1.00 0.00 H new ATOM 0 HA GLU A 369 19.096 4.022 9.569 1.00 0.00 H new ATOM 0 HB2 GLU A 369 16.934 4.284 11.686 1.00 0.00 H new ATOM 0 HB3 GLU A 369 17.652 5.616 10.801 1.00 0.00 H new ATOM 0 HG2 GLU A 369 16.870 4.390 8.662 1.00 0.00 H new ATOM 0 HG3 GLU A 369 15.894 3.399 9.728 1.00 0.00 H new ATOM 850 N LEU A 370 20.030 5.282 11.726 1.00 0.00 N ATOM 851 CA LEU A 370 21.127 5.714 12.579 1.00 0.00 C ATOM 852 C LEU A 370 20.803 7.067 13.198 1.00 0.00 C ATOM 853 O LEU A 370 21.147 7.339 14.351 1.00 0.00 O ATOM 854 CB LEU A 370 22.421 5.804 11.763 1.00 0.00 C ATOM 855 CG LEU A 370 23.681 6.156 12.561 1.00 0.00 C ATOM 856 CD1 LEU A 370 24.005 5.060 13.564 1.00 0.00 C ATOM 857 CD2 LEU A 370 24.860 6.389 11.629 1.00 0.00 C ATOM 0 H LEU A 370 19.581 6.041 11.214 1.00 0.00 H new ATOM 0 HA LEU A 370 21.264 4.985 13.377 1.00 0.00 H new ATOM 0 HB2 LEU A 370 22.583 4.848 11.265 1.00 0.00 H new ATOM 0 HB3 LEU A 370 22.286 6.552 10.982 1.00 0.00 H new ATOM 0 HG LEU A 370 23.489 7.078 13.109 1.00 0.00 H new ATOM 0 HD11 LEU A 370 24.903 5.330 14.120 1.00 0.00 H new ATOM 0 HD12 LEU A 370 23.171 4.942 14.256 1.00 0.00 H new ATOM 0 HD13 LEU A 370 24.173 4.122 13.036 1.00 0.00 H new ATOM 0 HD21 LEU A 370 25.744 6.638 12.216 1.00 0.00 H new ATOM 0 HD22 LEU A 370 25.051 5.485 11.051 1.00 0.00 H new ATOM 0 HD23 LEU A 370 24.631 7.212 10.952 1.00 0.00 H new ATOM 869 N THR A 371 20.149 7.912 12.414 1.00 0.00 N ATOM 870 CA THR A 371 19.673 9.197 12.887 1.00 0.00 C ATOM 871 C THR A 371 18.209 9.368 12.478 1.00 0.00 C ATOM 872 O THR A 371 17.671 8.536 11.745 1.00 0.00 O ATOM 873 CB THR A 371 20.536 10.356 12.328 1.00 0.00 C ATOM 874 OG1 THR A 371 20.153 11.599 12.931 1.00 0.00 O ATOM 875 CG2 THR A 371 20.405 10.456 10.813 1.00 0.00 C ATOM 0 H THR A 371 19.935 7.724 11.435 1.00 0.00 H new ATOM 0 HA THR A 371 19.755 9.227 13.974 1.00 0.00 H new ATOM 0 HB THR A 371 21.577 10.145 12.571 1.00 0.00 H new ATOM 0 HG1 THR A 371 20.707 12.322 12.570 1.00 0.00 H new ATOM 0 HG21 THR A 371 21.021 11.278 10.448 1.00 0.00 H new ATOM 0 HG22 THR A 371 20.737 9.523 10.357 1.00 0.00 H new ATOM 0 HG23 THR A 371 19.363 10.639 10.549 1.00 0.00 H new ATOM 883 N GLY A 372 17.571 10.434 12.938 1.00 0.00 N ATOM 884 CA GLY A 372 16.151 10.603 12.702 1.00 0.00 C ATOM 885 C GLY A 372 15.339 9.835 13.721 1.00 0.00 C ATOM 886 O GLY A 372 14.503 8.999 13.371 1.00 0.00 O ATOM 0 H GLY A 372 18.010 11.185 13.470 1.00 0.00 H new ATOM 0 HA2 GLY A 372 15.894 11.661 12.749 1.00 0.00 H new ATOM 0 HA3 GLY A 372 15.902 10.259 11.698 1.00 0.00 H new ATOM 890 N GLY A 373 15.588 10.128 14.986 1.00 0.00 N ATOM 891 CA GLY A 373 14.991 9.365 16.057 1.00 0.00 C ATOM 892 C GLY A 373 15.980 8.381 16.638 1.00 0.00 C ATOM 893 O GLY A 373 15.597 7.399 17.271 1.00 0.00 O ATOM 0 H GLY A 373 16.198 10.887 15.291 1.00 0.00 H new ATOM 0 HA2 GLY A 373 14.642 10.040 16.839 1.00 0.00 H new ATOM 0 HA3 GLY A 373 14.117 8.831 15.684 1.00 0.00 H new ATOM 897 N GLY A 374 17.261 8.651 16.410 1.00 0.00 N ATOM 898 CA GLY A 374 18.308 7.775 16.887 1.00 0.00 C ATOM 899 C GLY A 374 18.514 6.586 15.975 1.00 0.00 C ATOM 900 O GLY A 374 17.990 6.550 14.860 1.00 0.00 O ATOM 0 H GLY A 374 17.592 9.469 15.898 1.00 0.00 H new ATOM 0 HA2 GLY A 374 19.240 8.335 16.968 1.00 0.00 H new ATOM 0 HA3 GLY A 374 18.059 7.424 17.888 1.00 0.00 H new ATOM 904 N THR A 375 19.292 5.623 16.435 1.00 0.00 N ATOM 905 CA THR A 375 19.505 4.400 15.689 1.00 0.00 C ATOM 906 C THR A 375 18.280 3.502 15.830 1.00 0.00 C ATOM 907 O THR A 375 17.835 3.223 16.945 1.00 0.00 O ATOM 908 CB THR A 375 20.762 3.674 16.197 1.00 0.00 C ATOM 909 OG1 THR A 375 21.869 4.585 16.186 1.00 0.00 O ATOM 910 CG2 THR A 375 21.089 2.461 15.339 1.00 0.00 C ATOM 0 H THR A 375 19.788 5.666 17.325 1.00 0.00 H new ATOM 0 HA THR A 375 19.654 4.643 14.637 1.00 0.00 H new ATOM 0 HB THR A 375 20.571 3.325 17.212 1.00 0.00 H new ATOM 0 HG1 THR A 375 22.673 4.127 16.510 1.00 0.00 H new ATOM 0 HG21 THR A 375 21.983 1.972 15.726 1.00 0.00 H new ATOM 0 HG22 THR A 375 20.253 1.762 15.364 1.00 0.00 H new ATOM 0 HG23 THR A 375 21.266 2.779 14.312 1.00 0.00 H new ATOM 918 N THR A 376 17.722 3.069 14.711 1.00 0.00 N ATOM 919 CA THR A 376 16.512 2.313 14.729 1.00 0.00 C ATOM 920 C THR A 376 16.415 1.420 13.533 1.00 0.00 C ATOM 921 O THR A 376 16.766 1.768 12.414 1.00 0.00 O ATOM 922 CB THR A 376 15.263 3.197 14.817 1.00 0.00 C ATOM 923 OG1 THR A 376 14.099 2.475 14.392 1.00 0.00 O ATOM 924 CG2 THR A 376 15.417 4.476 13.998 1.00 0.00 C ATOM 0 H THR A 376 18.103 3.238 13.780 1.00 0.00 H new ATOM 0 HA THR A 376 16.550 1.703 15.632 1.00 0.00 H new ATOM 0 HB THR A 376 15.141 3.481 15.862 1.00 0.00 H new ATOM 0 HG1 THR A 376 13.312 3.056 14.457 1.00 0.00 H new ATOM 0 HG21 THR A 376 14.511 5.076 14.086 1.00 0.00 H new ATOM 0 HG22 THR A 376 16.268 5.047 14.371 1.00 0.00 H new ATOM 0 HG23 THR A 376 15.583 4.220 12.951 1.00 0.00 H new ATOM 932 N PHE A 377 15.937 0.269 13.823 1.00 0.00 N ATOM 933 CA PHE A 377 15.727 -0.772 12.847 1.00 0.00 C ATOM 934 C PHE A 377 14.402 -0.546 12.131 1.00 0.00 C ATOM 935 O PHE A 377 13.336 -0.546 12.751 1.00 0.00 O ATOM 936 CB PHE A 377 15.759 -2.132 13.545 1.00 0.00 C ATOM 937 CG PHE A 377 15.259 -3.257 12.701 1.00 0.00 C ATOM 938 CD1 PHE A 377 16.069 -3.848 11.749 1.00 0.00 C ATOM 939 CD2 PHE A 377 13.972 -3.718 12.869 1.00 0.00 C ATOM 940 CE1 PHE A 377 15.597 -4.892 10.975 1.00 0.00 C ATOM 941 CE2 PHE A 377 13.489 -4.760 12.101 1.00 0.00 C ATOM 942 CZ PHE A 377 14.303 -5.346 11.149 1.00 0.00 C ATOM 0 H PHE A 377 15.668 0.001 14.770 1.00 0.00 H new ATOM 0 HA PHE A 377 16.520 -0.750 12.100 1.00 0.00 H new ATOM 0 HB2 PHE A 377 16.782 -2.348 13.852 1.00 0.00 H new ATOM 0 HB3 PHE A 377 15.159 -2.077 14.453 1.00 0.00 H new ATOM 0 HD1 PHE A 377 17.079 -3.491 11.609 1.00 0.00 H new ATOM 0 HD2 PHE A 377 13.333 -3.260 13.609 1.00 0.00 H new ATOM 0 HE1 PHE A 377 16.237 -5.351 10.237 1.00 0.00 H new ATOM 0 HE2 PHE A 377 12.479 -5.116 12.244 1.00 0.00 H new ATOM 0 HZ PHE A 377 13.928 -6.157 10.542 1.00 0.00 H new ATOM 952 N SER A 378 14.476 -0.331 10.830 1.00 0.00 N ATOM 953 CA SER A 378 13.297 -0.062 10.036 1.00 0.00 C ATOM 954 C SER A 378 13.172 -1.105 8.931 1.00 0.00 C ATOM 955 O SER A 378 14.176 -1.599 8.413 1.00 0.00 O ATOM 956 CB SER A 378 13.387 1.350 9.447 1.00 0.00 C ATOM 957 OG SER A 378 12.159 1.766 8.868 1.00 0.00 O ATOM 0 H SER A 378 15.348 -0.338 10.300 1.00 0.00 H new ATOM 0 HA SER A 378 12.408 -0.120 10.665 1.00 0.00 H new ATOM 0 HB2 SER A 378 13.674 2.052 10.230 1.00 0.00 H new ATOM 0 HB3 SER A 378 14.172 1.378 8.691 1.00 0.00 H new ATOM 0 HG SER A 378 12.258 2.671 8.506 1.00 0.00 H new ATOM 963 N VAL A 379 11.948 -1.464 8.592 1.00 0.00 N ATOM 964 CA VAL A 379 11.716 -2.421 7.525 1.00 0.00 C ATOM 965 C VAL A 379 11.245 -1.700 6.271 1.00 0.00 C ATOM 966 O VAL A 379 10.481 -0.735 6.338 1.00 0.00 O ATOM 967 CB VAL A 379 10.672 -3.483 7.918 1.00 0.00 C ATOM 968 CG1 VAL A 379 10.596 -4.587 6.872 1.00 0.00 C ATOM 969 CG2 VAL A 379 10.977 -4.067 9.290 1.00 0.00 C ATOM 0 H VAL A 379 11.102 -1.109 9.038 1.00 0.00 H new ATOM 0 HA VAL A 379 12.662 -2.928 7.336 1.00 0.00 H new ATOM 0 HB VAL A 379 9.700 -2.991 7.966 1.00 0.00 H new ATOM 0 HG11 VAL A 379 9.852 -5.324 7.174 1.00 0.00 H new ATOM 0 HG12 VAL A 379 10.313 -4.158 5.911 1.00 0.00 H new ATOM 0 HG13 VAL A 379 11.569 -5.070 6.782 1.00 0.00 H new ATOM 0 HG21 VAL A 379 10.225 -4.814 9.543 1.00 0.00 H new ATOM 0 HG22 VAL A 379 11.962 -4.534 9.276 1.00 0.00 H new ATOM 0 HG23 VAL A 379 10.963 -3.272 10.035 1.00 0.00 H new ATOM 979 N ARG A 380 11.714 -2.173 5.139 1.00 0.00 N ATOM 980 CA ARG A 380 11.384 -1.596 3.850 1.00 0.00 C ATOM 981 C ARG A 380 10.887 -2.690 2.920 1.00 0.00 C ATOM 982 O ARG A 380 11.683 -3.418 2.326 1.00 0.00 O ATOM 983 CB ARG A 380 12.630 -0.933 3.258 1.00 0.00 C ATOM 984 CG ARG A 380 12.427 -0.288 1.897 1.00 0.00 C ATOM 985 CD ARG A 380 13.768 -0.039 1.226 1.00 0.00 C ATOM 986 NE ARG A 380 13.670 0.817 0.045 1.00 0.00 N ATOM 987 CZ ARG A 380 14.586 0.839 -0.927 1.00 0.00 C ATOM 988 NH1 ARG A 380 15.556 -0.068 -0.949 1.00 0.00 N ATOM 989 NH2 ARG A 380 14.505 1.738 -1.898 1.00 0.00 N ATOM 0 H ARG A 380 12.341 -2.976 5.083 1.00 0.00 H new ATOM 0 HA ARG A 380 10.602 -0.847 3.970 1.00 0.00 H new ATOM 0 HB2 ARG A 380 12.985 -0.173 3.954 1.00 0.00 H new ATOM 0 HB3 ARG A 380 13.417 -1.682 3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 380 11.813 -0.933 1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 380 11.889 0.653 2.010 1.00 0.00 H new ATOM 0 HD2 ARG A 380 14.447 0.420 1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 380 14.207 -0.995 0.939 1.00 0.00 H new ATOM 0 HE ARG A 380 12.859 1.430 -0.041 1.00 0.00 H new ATOM 0 HH11 ARG A 380 15.602 -0.783 -0.223 1.00 0.00 H new ATOM 0 HH12 ARG A 380 16.255 -0.050 -1.692 1.00 0.00 H new ATOM 0 HH21 ARG A 380 13.742 2.415 -1.904 1.00 0.00 H new ATOM 0 HH22 ARG A 380 15.206 1.753 -2.639 1.00 0.00 H new ATOM 1003 N LYS A 381 9.579 -2.853 2.827 1.00 0.00 N ATOM 1004 CA LYS A 381 9.041 -3.840 1.917 1.00 0.00 C ATOM 1005 C LYS A 381 8.709 -3.190 0.588 1.00 0.00 C ATOM 1006 O LYS A 381 7.776 -2.397 0.475 1.00 0.00 O ATOM 1007 CB LYS A 381 7.819 -4.559 2.487 1.00 0.00 C ATOM 1008 CG LYS A 381 7.450 -5.795 1.677 1.00 0.00 C ATOM 1009 CD LYS A 381 6.300 -6.571 2.286 1.00 0.00 C ATOM 1010 CE LYS A 381 4.996 -5.791 2.240 1.00 0.00 C ATOM 1011 NZ LYS A 381 3.851 -6.602 2.735 1.00 0.00 N ATOM 0 H LYS A 381 8.886 -2.326 3.359 1.00 0.00 H new ATOM 0 HA LYS A 381 9.808 -4.600 1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 381 8.018 -4.849 3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 381 6.972 -3.873 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 381 7.184 -5.494 0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 381 8.321 -6.446 1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 381 6.177 -7.514 1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 381 6.538 -6.818 3.321 1.00 0.00 H new ATOM 0 HE2 LYS A 381 5.090 -4.888 2.844 1.00 0.00 H new ATOM 0 HE3 LYS A 381 4.800 -5.471 1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 2.979 -6.037 2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 3.745 -7.451 2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 4.027 -6.886 3.720 1.00 0.00 H new ATOM 1025 N THR A 382 9.499 -3.532 -0.399 1.00 0.00 N ATOM 1026 CA THR A 382 9.366 -2.985 -1.731 1.00 0.00 C ATOM 1027 C THR A 382 8.590 -3.968 -2.599 1.00 0.00 C ATOM 1028 O THR A 382 8.510 -5.145 -2.273 1.00 0.00 O ATOM 1029 CB THR A 382 10.762 -2.727 -2.341 1.00 0.00 C ATOM 1030 OG1 THR A 382 11.569 -1.975 -1.421 1.00 0.00 O ATOM 1031 CG2 THR A 382 10.655 -1.968 -3.653 1.00 0.00 C ATOM 0 H THR A 382 10.260 -4.204 -0.302 1.00 0.00 H new ATOM 0 HA THR A 382 8.828 -2.038 -1.683 1.00 0.00 H new ATOM 0 HB THR A 382 11.227 -3.693 -2.535 1.00 0.00 H new ATOM 0 HG1 THR A 382 12.483 -2.329 -1.422 1.00 0.00 H new ATOM 0 HG21 THR A 382 11.653 -1.801 -4.059 1.00 0.00 H new ATOM 0 HG22 THR A 382 10.067 -2.550 -4.363 1.00 0.00 H new ATOM 0 HG23 THR A 382 10.168 -1.008 -3.479 1.00 0.00 H new ATOM 1039 N ALA A 383 7.992 -3.502 -3.677 1.00 0.00 N ATOM 1040 CA ALA A 383 7.316 -4.399 -4.593 1.00 0.00 C ATOM 1041 C ALA A 383 7.390 -3.868 -6.009 1.00 0.00 C ATOM 1042 O ALA A 383 7.698 -2.694 -6.231 1.00 0.00 O ATOM 1043 CB ALA A 383 5.866 -4.607 -4.178 1.00 0.00 C ATOM 0 H ALA A 383 7.960 -2.517 -3.939 1.00 0.00 H new ATOM 0 HA ALA A 383 7.822 -5.364 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.380 -5.284 -4.881 1.00 0.00 H new ATOM 0 HB2 ALA A 383 5.832 -5.037 -3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 383 5.346 -3.649 -4.179 1.00 0.00 H new ATOM 1049 N TYR A 384 7.136 -4.738 -6.963 1.00 0.00 N ATOM 1050 CA TYR A 384 7.068 -4.342 -8.354 1.00 0.00 C ATOM 1051 C TYR A 384 5.678 -4.667 -8.877 1.00 0.00 C ATOM 1052 O TYR A 384 5.078 -5.659 -8.467 1.00 0.00 O ATOM 1053 CB TYR A 384 8.148 -5.053 -9.184 1.00 0.00 C ATOM 1054 CG TYR A 384 9.570 -4.733 -8.750 1.00 0.00 C ATOM 1055 CD1 TYR A 384 10.189 -5.466 -7.743 1.00 0.00 C ATOM 1056 CD2 TYR A 384 10.294 -3.703 -9.344 1.00 0.00 C ATOM 1057 CE1 TYR A 384 11.480 -5.182 -7.341 1.00 0.00 C ATOM 1058 CE2 TYR A 384 11.586 -3.421 -8.949 1.00 0.00 C ATOM 1059 CZ TYR A 384 12.173 -4.158 -7.946 1.00 0.00 C ATOM 1060 OH TYR A 384 13.455 -3.859 -7.537 1.00 0.00 O ATOM 0 H TYR A 384 6.972 -5.731 -6.799 1.00 0.00 H new ATOM 0 HA TYR A 384 7.253 -3.271 -8.440 1.00 0.00 H new ATOM 0 HB2 TYR A 384 7.992 -6.130 -9.118 1.00 0.00 H new ATOM 0 HB3 TYR A 384 8.028 -4.777 -10.232 1.00 0.00 H new ATOM 0 HD1 TYR A 384 9.651 -6.272 -7.267 1.00 0.00 H new ATOM 0 HD2 TYR A 384 9.837 -3.115 -10.126 1.00 0.00 H new ATOM 0 HE1 TYR A 384 11.943 -5.761 -6.556 1.00 0.00 H new ATOM 0 HE2 TYR A 384 12.136 -2.623 -9.426 1.00 0.00 H new ATOM 0 HH TYR A 384 13.453 -3.008 -7.052 1.00 0.00 H new ATOM 1070 N CYS A 385 5.164 -3.832 -9.768 1.00 0.00 N ATOM 1071 CA CYS A 385 3.803 -4.008 -10.276 1.00 0.00 C ATOM 1072 C CYS A 385 3.672 -5.333 -11.019 1.00 0.00 C ATOM 1073 O CYS A 385 4.652 -5.850 -11.549 1.00 0.00 O ATOM 1074 CB CYS A 385 3.413 -2.835 -11.190 1.00 0.00 C ATOM 1075 SG CYS A 385 4.635 -2.411 -12.465 1.00 0.00 S ATOM 0 H CYS A 385 5.661 -3.030 -10.155 1.00 0.00 H new ATOM 0 HA CYS A 385 3.120 -4.025 -9.426 1.00 0.00 H new ATOM 0 HB2 CYS A 385 2.469 -3.074 -11.679 1.00 0.00 H new ATOM 0 HB3 CYS A 385 3.237 -1.955 -10.571 1.00 0.00 H new ATOM 0 HG CYS A 385 5.749 -2.055 -11.897 1.00 0.00 H new ATOM 1080 N ASP A 386 2.473 -5.899 -11.029 1.00 0.00 N ATOM 1081 CA ASP A 386 2.252 -7.188 -11.686 1.00 0.00 C ATOM 1082 C ASP A 386 2.522 -7.070 -13.182 1.00 0.00 C ATOM 1083 O ASP A 386 3.026 -8.002 -13.802 1.00 0.00 O ATOM 1084 CB ASP A 386 0.832 -7.715 -11.429 1.00 0.00 C ATOM 1085 CG ASP A 386 -0.219 -7.068 -12.308 1.00 0.00 C ATOM 1086 OD1 ASP A 386 -0.304 -5.823 -12.318 1.00 0.00 O ATOM 1087 OD2 ASP A 386 -0.968 -7.803 -12.980 1.00 0.00 O ATOM 0 H ASP A 386 1.643 -5.494 -10.595 1.00 0.00 H new ATOM 0 HA ASP A 386 2.950 -7.908 -11.259 1.00 0.00 H new ATOM 0 HB2 ASP A 386 0.818 -8.793 -11.592 1.00 0.00 H new ATOM 0 HB3 ASP A 386 0.574 -7.547 -10.383 1.00 0.00 H new ATOM 1092 N VAL A 387 2.231 -5.897 -13.740 1.00 0.00 N ATOM 1093 CA VAL A 387 2.494 -5.617 -15.149 1.00 0.00 C ATOM 1094 C VAL A 387 3.973 -5.301 -15.392 1.00 0.00 C ATOM 1095 O VAL A 387 4.370 -4.925 -16.497 1.00 0.00 O ATOM 1096 CB VAL A 387 1.626 -4.451 -15.671 1.00 0.00 C ATOM 1097 CG1 VAL A 387 0.149 -4.814 -15.617 1.00 0.00 C ATOM 1098 CG2 VAL A 387 1.897 -3.179 -14.880 1.00 0.00 C ATOM 0 H VAL A 387 1.809 -5.119 -13.232 1.00 0.00 H new ATOM 0 HA VAL A 387 2.232 -6.521 -15.699 1.00 0.00 H new ATOM 0 HB VAL A 387 1.894 -4.267 -16.711 1.00 0.00 H new ATOM 0 HG11 VAL A 387 -0.445 -3.979 -15.989 1.00 0.00 H new ATOM 0 HG12 VAL A 387 -0.033 -5.693 -16.236 1.00 0.00 H new ATOM 0 HG13 VAL A 387 -0.135 -5.031 -14.587 1.00 0.00 H new ATOM 0 HG21 VAL A 387 1.275 -2.371 -15.265 1.00 0.00 H new ATOM 0 HG22 VAL A 387 1.663 -3.347 -13.829 1.00 0.00 H new ATOM 0 HG23 VAL A 387 2.948 -2.906 -14.979 1.00 0.00 H new ATOM 1108 N HIS A 388 4.786 -5.443 -14.350 1.00 0.00 N ATOM 1109 CA HIS A 388 6.240 -5.351 -14.484 1.00 0.00 C ATOM 1110 C HIS A 388 6.746 -6.713 -14.937 1.00 0.00 C ATOM 1111 O HIS A 388 7.899 -6.885 -15.318 1.00 0.00 O ATOM 1112 CB HIS A 388 6.868 -4.967 -13.137 1.00 0.00 C ATOM 1113 CG HIS A 388 8.200 -4.286 -13.220 1.00 0.00 C ATOM 1114 ND1 HIS A 388 8.397 -2.974 -12.806 1.00 0.00 N ATOM 1115 CD2 HIS A 388 9.411 -4.737 -13.624 1.00 0.00 C ATOM 1116 CE1 HIS A 388 9.679 -2.663 -12.959 1.00 0.00 C ATOM 1117 NE2 HIS A 388 10.307 -3.711 -13.449 1.00 0.00 N ATOM 0 H HIS A 388 4.463 -5.623 -13.399 1.00 0.00 H new ATOM 0 HA HIS A 388 6.513 -4.585 -15.210 1.00 0.00 H new ATOM 0 HB2 HIS A 388 6.177 -4.312 -12.606 1.00 0.00 H new ATOM 0 HB3 HIS A 388 6.977 -5.870 -12.536 1.00 0.00 H new ATOM 0 HD1 HIS A 388 7.675 -2.352 -12.444 1.00 0.00 H new ATOM 0 HD2 HIS A 388 9.631 -5.721 -14.012 1.00 0.00 H new ATOM 0 HE1 HIS A 388 10.130 -1.711 -12.721 1.00 0.00 H new ATOM 1125 N THR A 389 5.836 -7.672 -14.875 1.00 0.00 N ATOM 1126 CA THR A 389 6.076 -9.040 -15.282 1.00 0.00 C ATOM 1127 C THR A 389 4.890 -9.503 -16.127 1.00 0.00 C ATOM 1128 O THR A 389 3.929 -8.755 -16.272 1.00 0.00 O ATOM 1129 CB THR A 389 6.226 -9.946 -14.040 1.00 0.00 C ATOM 1130 OG1 THR A 389 5.216 -9.620 -13.070 1.00 0.00 O ATOM 1131 CG2 THR A 389 7.605 -9.797 -13.416 1.00 0.00 C ATOM 0 H THR A 389 4.889 -7.513 -14.532 1.00 0.00 H new ATOM 0 HA THR A 389 6.997 -9.101 -15.862 1.00 0.00 H new ATOM 0 HB THR A 389 6.104 -10.981 -14.359 1.00 0.00 H new ATOM 0 HG1 THR A 389 4.479 -9.149 -13.511 1.00 0.00 H new ATOM 0 HG21 THR A 389 7.682 -10.446 -12.544 1.00 0.00 H new ATOM 0 HG22 THR A 389 8.366 -10.076 -14.145 1.00 0.00 H new ATOM 0 HG23 THR A 389 7.757 -8.761 -13.112 1.00 0.00 H new ATOM 1139 N PRO A 390 4.933 -10.699 -16.735 1.00 0.00 N ATOM 1140 CA PRO A 390 3.745 -11.278 -17.375 1.00 0.00 C ATOM 1141 C PRO A 390 2.713 -11.731 -16.338 1.00 0.00 C ATOM 1142 O PRO A 390 2.938 -12.700 -15.611 1.00 0.00 O ATOM 1143 CB PRO A 390 4.304 -12.480 -18.143 1.00 0.00 C ATOM 1144 CG PRO A 390 5.554 -12.845 -17.418 1.00 0.00 C ATOM 1145 CD PRO A 390 6.125 -11.553 -16.900 1.00 0.00 C ATOM 0 HA PRO A 390 3.224 -10.563 -18.012 1.00 0.00 H new ATOM 0 HB2 PRO A 390 3.595 -13.308 -18.152 1.00 0.00 H new ATOM 0 HB3 PRO A 390 4.509 -12.225 -19.183 1.00 0.00 H new ATOM 0 HG2 PRO A 390 5.344 -13.534 -16.600 1.00 0.00 H new ATOM 0 HG3 PRO A 390 6.259 -13.344 -18.083 1.00 0.00 H new ATOM 0 HD2 PRO A 390 6.652 -11.695 -15.957 1.00 0.00 H new ATOM 0 HD3 PRO A 390 6.838 -11.118 -17.601 1.00 0.00 H new