USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=30 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 368 LYS NZ :NH3+ -145:sc= 1.2 (180deg=-0.0294) USER MOD Set 1.2: A 375 THR OG1 : rot 16:sc= 0.858 USER MOD Set 2.1: A 353 THR OG1 : rot -90:sc= 1.09 USER MOD Set 2.2: A 357 LYS NZ :NH3+ 170:sc= 1.28 (180deg=0) USER MOD Set 3.1: A 342 HIS : no HE2:sc= 0.0952 K(o=0.65,f=-2.2) USER MOD Set 3.2: A 384 TYR OH : rot 43:sc= 0.559 USER MOD Set 4.1: A 341 CYS SG : rot -100:sc= 0.139! USER MOD Set 4.2: A 346 CYS SG : rot -26:sc= 2.67 USER MOD Set 4.3: A 348 THR OG1 : rot 127:sc= 1.9 USER MOD Set 4.4: A 385 CYS SG : rot -67:sc= 0.316 USER MOD Set 4.5: A 388 HIS : no HE2:sc= -1.57 K(o=3.5,f=-1.9) USER MOD Set 5.1: A 327 CYS SG : rot 153:sc= -4.02! USER MOD Set 5.2: A 330 CYS SG : rot 59:sc= -1.26! USER MOD Set 5.3: A 338 SER OG : rot 130:sc= -0.211 USER MOD Set 5.4: A 351 HIS : no HD1:sc= 0.091 K(o=-9.3,f=-16!) USER MOD Set 5.5: A 354 CYS SG : rot 171:sc= -3.9! USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 328 TYR OH : rot 165:sc= 0.495 USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 333 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.65) USER MOD Single : A 343 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0608) USER MOD Single : A 345 ASN : amide:sc= -0.21 K(o=-0.21,f=-3.2!) USER MOD Single : A 347 TYR OH : rot 180:sc= 0 USER MOD Single : A 356 GLN :FLIP amide:sc= -0.575 F(o=-1.2,f=-0.58) USER MOD Single : A 361 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 MET CE :methyl 135:sc= -0.049 (180deg=-1.02) USER MOD Single : A 363 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 364 MET CE :methyl -118:sc=-0.00376 (180deg=-0.223) USER MOD Single : A 371 THR OG1 : rot 140:sc= 1.18 USER MOD Single : A 376 THR OG1 : rot 130:sc= -3.54! USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 178:sc= 0.676 (180deg=0.673) USER MOD Single : A 382 THR OG1 : rot 180:sc= 0 USER MOD Single : A 389 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 325 -0.560 9.151 -6.564 1.00 0.00 N ATOM 160 CA LEU A 325 -0.119 7.923 -7.197 1.00 0.00 C ATOM 161 C LEU A 325 -1.324 7.083 -7.601 1.00 0.00 C ATOM 162 O LEU A 325 -2.081 6.622 -6.747 1.00 0.00 O ATOM 163 CB LEU A 325 0.792 7.149 -6.240 1.00 0.00 C ATOM 164 CG LEU A 325 1.981 7.945 -5.693 1.00 0.00 C ATOM 165 CD1 LEU A 325 2.770 7.109 -4.698 1.00 0.00 C ATOM 166 CD2 LEU A 325 2.884 8.413 -6.826 1.00 0.00 C ATOM 0 HA LEU A 325 0.447 8.161 -8.098 1.00 0.00 H new ATOM 0 HB2 LEU A 325 0.194 6.794 -5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 325 1.171 6.267 -6.756 1.00 0.00 H new ATOM 0 HG LEU A 325 1.594 8.824 -5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 325 3.611 7.691 -4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 325 2.123 6.825 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 325 3.143 6.211 -5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 325 3.722 8.976 -6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 325 3.261 7.548 -7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 325 2.316 9.050 -7.504 1.00 0.00 H new ATOM 178 N THR A 326 -1.509 6.914 -8.904 1.00 0.00 N ATOM 179 CA THR A 326 -2.665 6.205 -9.426 1.00 0.00 C ATOM 180 C THR A 326 -2.515 4.697 -9.245 1.00 0.00 C ATOM 181 O THR A 326 -1.521 4.100 -9.658 1.00 0.00 O ATOM 182 CB THR A 326 -2.880 6.506 -10.918 1.00 0.00 C ATOM 183 OG1 THR A 326 -2.753 7.915 -11.158 1.00 0.00 O ATOM 184 CG2 THR A 326 -4.252 6.034 -11.384 1.00 0.00 C ATOM 0 H THR A 326 -0.870 7.260 -9.619 1.00 0.00 H new ATOM 0 HA THR A 326 -3.529 6.554 -8.861 1.00 0.00 H new ATOM 0 HB THR A 326 -2.119 5.966 -11.482 1.00 0.00 H new ATOM 0 HG1 THR A 326 -2.890 8.098 -12.111 1.00 0.00 H new ATOM 0 HG21 THR A 326 -4.374 6.261 -12.443 1.00 0.00 H new ATOM 0 HG22 THR A 326 -4.338 4.958 -11.231 1.00 0.00 H new ATOM 0 HG23 THR A 326 -5.026 6.545 -10.812 1.00 0.00 H new ATOM 192 N CYS A 327 -3.522 4.103 -8.639 1.00 0.00 N ATOM 193 CA CYS A 327 -3.560 2.670 -8.408 1.00 0.00 C ATOM 194 C CYS A 327 -4.225 1.988 -9.591 1.00 0.00 C ATOM 195 O CYS A 327 -5.429 2.144 -9.801 1.00 0.00 O ATOM 196 CB CYS A 327 -4.328 2.374 -7.115 1.00 0.00 C ATOM 197 SG CYS A 327 -4.646 0.615 -6.792 1.00 0.00 S ATOM 0 H CYS A 327 -4.341 4.601 -8.291 1.00 0.00 H new ATOM 0 HA CYS A 327 -2.545 2.287 -8.303 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -3.768 2.786 -6.276 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -5.282 2.899 -7.149 1.00 0.00 H new ATOM 0 HG CYS A 327 -4.750 0.421 -5.511 1.00 0.00 H new ATOM 202 N TYR A 328 -3.452 1.225 -10.359 1.00 0.00 N ATOM 203 CA TYR A 328 -3.973 0.642 -11.594 1.00 0.00 C ATOM 204 C TYR A 328 -4.983 -0.453 -11.277 1.00 0.00 C ATOM 205 O TYR A 328 -5.837 -0.790 -12.095 1.00 0.00 O ATOM 206 CB TYR A 328 -2.844 0.115 -12.493 1.00 0.00 C ATOM 207 CG TYR A 328 -2.127 -1.114 -11.977 1.00 0.00 C ATOM 208 CD1 TYR A 328 -1.117 -1.012 -11.030 1.00 0.00 C ATOM 209 CD2 TYR A 328 -2.449 -2.378 -12.458 1.00 0.00 C ATOM 210 CE1 TYR A 328 -0.449 -2.133 -10.577 1.00 0.00 C ATOM 211 CE2 TYR A 328 -1.790 -3.503 -12.005 1.00 0.00 C ATOM 212 CZ TYR A 328 -0.790 -3.377 -11.068 1.00 0.00 C ATOM 213 OH TYR A 328 -0.127 -4.498 -10.621 1.00 0.00 O ATOM 0 H TYR A 328 -2.479 0.998 -10.154 1.00 0.00 H new ATOM 0 HA TYR A 328 -4.482 1.430 -12.150 1.00 0.00 H new ATOM 0 HB2 TYR A 328 -3.260 -0.112 -13.475 1.00 0.00 H new ATOM 0 HB3 TYR A 328 -2.112 0.910 -12.633 1.00 0.00 H new ATOM 0 HD1 TYR A 328 -0.849 -0.041 -10.641 1.00 0.00 H new ATOM 0 HD2 TYR A 328 -3.228 -2.481 -13.199 1.00 0.00 H new ATOM 0 HE1 TYR A 328 0.336 -2.036 -9.842 1.00 0.00 H new ATOM 0 HE2 TYR A 328 -2.058 -4.478 -12.384 1.00 0.00 H new ATOM 0 HH TYR A 328 -0.632 -5.299 -10.873 1.00 0.00 H new ATOM 223 N LEU A 329 -4.879 -0.998 -10.077 1.00 0.00 N ATOM 224 CA LEU A 329 -5.890 -1.902 -9.562 1.00 0.00 C ATOM 225 C LEU A 329 -6.802 -1.130 -8.617 1.00 0.00 C ATOM 226 O LEU A 329 -6.683 -1.246 -7.386 1.00 0.00 O ATOM 227 CB LEU A 329 -5.245 -3.096 -8.852 1.00 0.00 C ATOM 228 CG LEU A 329 -4.399 -4.005 -9.750 1.00 0.00 C ATOM 229 CD1 LEU A 329 -3.700 -5.078 -8.931 1.00 0.00 C ATOM 230 CD2 LEU A 329 -5.261 -4.644 -10.827 1.00 0.00 C ATOM 0 H LEU A 329 -4.101 -0.829 -9.440 1.00 0.00 H new ATOM 0 HA LEU A 329 -6.479 -2.299 -10.389 1.00 0.00 H new ATOM 0 HB2 LEU A 329 -4.616 -2.722 -8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 329 -6.032 -3.695 -8.393 1.00 0.00 H new ATOM 0 HG LEU A 329 -3.638 -3.390 -10.231 1.00 0.00 H new ATOM 0 HD11 LEU A 329 -3.106 -5.710 -9.591 1.00 0.00 H new ATOM 0 HD12 LEU A 329 -3.048 -4.607 -8.196 1.00 0.00 H new ATOM 0 HD13 LEU A 329 -4.444 -5.687 -8.418 1.00 0.00 H new ATOM 0 HD21 LEU A 329 -4.643 -5.286 -11.455 1.00 0.00 H new ATOM 0 HD22 LEU A 329 -6.045 -5.240 -10.360 1.00 0.00 H new ATOM 0 HD23 LEU A 329 -5.714 -3.865 -11.440 1.00 0.00 H new ATOM 242 N CYS A 330 -7.649 -0.290 -9.231 1.00 0.00 N ATOM 243 CA CYS A 330 -8.597 0.606 -8.552 1.00 0.00 C ATOM 244 C CYS A 330 -9.072 1.678 -9.525 1.00 0.00 C ATOM 245 O CYS A 330 -10.253 2.023 -9.559 1.00 0.00 O ATOM 246 CB CYS A 330 -7.982 1.320 -7.343 1.00 0.00 C ATOM 247 SG CYS A 330 -8.073 0.399 -5.792 1.00 0.00 S ATOM 0 H CYS A 330 -7.694 -0.213 -10.247 1.00 0.00 H new ATOM 0 HA CYS A 330 -9.418 -0.020 -8.203 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -6.936 1.536 -7.560 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -8.485 2.278 -7.210 1.00 0.00 H new ATOM 0 HG CYS A 330 -7.459 -0.739 -5.926 1.00 0.00 H new ATOM 252 N LYS A 331 -8.112 2.219 -10.283 1.00 0.00 N ATOM 253 CA LYS A 331 -8.343 3.321 -11.209 1.00 0.00 C ATOM 254 C LYS A 331 -8.569 4.592 -10.403 1.00 0.00 C ATOM 255 O LYS A 331 -9.207 5.543 -10.848 1.00 0.00 O ATOM 256 CB LYS A 331 -9.516 3.032 -12.156 1.00 0.00 C ATOM 257 CG LYS A 331 -9.577 3.966 -13.355 1.00 0.00 C ATOM 258 CD LYS A 331 -10.701 3.594 -14.308 1.00 0.00 C ATOM 259 CE LYS A 331 -12.061 3.692 -13.639 1.00 0.00 C ATOM 260 NZ LYS A 331 -13.166 3.408 -14.590 1.00 0.00 N ATOM 0 H LYS A 331 -7.144 1.897 -10.267 1.00 0.00 H new ATOM 0 HA LYS A 331 -7.467 3.448 -11.845 1.00 0.00 H new ATOM 0 HB2 LYS A 331 -9.441 2.004 -12.511 1.00 0.00 H new ATOM 0 HB3 LYS A 331 -10.449 3.109 -11.598 1.00 0.00 H new ATOM 0 HG2 LYS A 331 -9.718 4.990 -13.010 1.00 0.00 H new ATOM 0 HG3 LYS A 331 -8.626 3.937 -13.887 1.00 0.00 H new ATOM 0 HD2 LYS A 331 -10.674 4.252 -15.176 1.00 0.00 H new ATOM 0 HD3 LYS A 331 -10.547 2.578 -14.673 1.00 0.00 H new ATOM 0 HE2 LYS A 331 -12.108 2.989 -12.807 1.00 0.00 H new ATOM 0 HE3 LYS A 331 -12.189 4.690 -13.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 -14.078 3.485 -14.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 -13.137 4.094 -15.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 -13.058 2.446 -14.970 1.00 0.00 H new ATOM 274 N GLN A 332 -8.003 4.591 -9.202 1.00 0.00 N ATOM 275 CA GLN A 332 -8.078 5.712 -8.314 1.00 0.00 C ATOM 276 C GLN A 332 -6.662 6.074 -7.891 1.00 0.00 C ATOM 277 O GLN A 332 -5.703 5.779 -8.597 1.00 0.00 O ATOM 278 CB GLN A 332 -8.941 5.363 -7.091 1.00 0.00 C ATOM 279 CG GLN A 332 -10.327 4.846 -7.441 1.00 0.00 C ATOM 280 CD GLN A 332 -11.184 4.566 -6.218 1.00 0.00 C ATOM 281 OE1 GLN A 332 -10.553 4.198 -5.110 1.00 0.00 O flip ATOM 282 NE2 GLN A 332 -12.407 4.680 -6.266 1.00 0.00 N flip ATOM 0 H GLN A 332 -7.479 3.800 -8.828 1.00 0.00 H new ATOM 0 HA GLN A 332 -8.542 6.562 -8.814 1.00 0.00 H new ATOM 0 HB2 GLN A 332 -8.423 4.611 -6.496 1.00 0.00 H new ATOM 0 HB3 GLN A 332 -9.042 6.250 -6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 332 -10.832 5.577 -8.072 1.00 0.00 H new ATOM 0 HG3 GLN A 332 -10.230 3.932 -8.027 1.00 0.00 H new ATOM 0 HE21 GLN A 332 -12.859 4.965 -7.135 1.00 0.00 H new ATOM 0 HE22 GLN A 332 -12.970 4.490 -5.437 1.00 0.00 H new ATOM 291 N LYS A 333 -6.534 6.661 -6.729 1.00 0.00 N ATOM 292 CA LYS A 333 -5.241 7.109 -6.233 1.00 0.00 C ATOM 293 C LYS A 333 -4.977 6.540 -4.841 1.00 0.00 C ATOM 294 O LYS A 333 -5.565 5.521 -4.457 1.00 0.00 O ATOM 295 CB LYS A 333 -5.189 8.644 -6.212 1.00 0.00 C ATOM 296 CG LYS A 333 -6.272 9.288 -5.358 1.00 0.00 C ATOM 297 CD LYS A 333 -6.131 10.801 -5.337 1.00 0.00 C ATOM 298 CE LYS A 333 -7.218 11.450 -4.496 1.00 0.00 C ATOM 299 NZ LYS A 333 -7.075 12.930 -4.444 1.00 0.00 N ATOM 0 H LYS A 333 -7.313 6.845 -6.097 1.00 0.00 H new ATOM 0 HA LYS A 333 -4.461 6.744 -6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 333 -4.213 8.959 -5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 333 -5.278 9.014 -7.233 1.00 0.00 H new ATOM 0 HG2 LYS A 333 -7.254 9.017 -5.747 1.00 0.00 H new ATOM 0 HG3 LYS A 333 -6.214 8.901 -4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 333 -5.152 11.071 -4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 333 -6.179 11.186 -6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 333 -8.195 11.195 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 333 -7.182 11.047 -3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 333 -7.836 13.332 -3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 333 -6.154 13.175 -4.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 333 -7.135 13.319 -5.407 1.00 0.00 H new ATOM 313 N GLY A 334 -4.073 7.179 -4.106 1.00 0.00 N ATOM 314 CA GLY A 334 -3.805 6.783 -2.739 1.00 0.00 C ATOM 315 C GLY A 334 -5.035 6.902 -1.863 1.00 0.00 C ATOM 316 O GLY A 334 -5.580 7.994 -1.691 1.00 0.00 O ATOM 0 H GLY A 334 -3.519 7.969 -4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 334 -3.447 5.754 -2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 334 -3.008 7.404 -2.331 1.00 0.00 H new ATOM 320 N VAL A 335 -5.474 5.778 -1.315 1.00 0.00 N ATOM 321 CA VAL A 335 -6.683 5.734 -0.498 1.00 0.00 C ATOM 322 C VAL A 335 -6.403 4.978 0.795 1.00 0.00 C ATOM 323 O VAL A 335 -6.261 5.579 1.860 1.00 0.00 O ATOM 324 CB VAL A 335 -7.864 5.063 -1.248 1.00 0.00 C ATOM 325 CG1 VAL A 335 -9.115 5.029 -0.381 1.00 0.00 C ATOM 326 CG2 VAL A 335 -8.156 5.778 -2.560 1.00 0.00 C ATOM 0 H VAL A 335 -5.008 4.877 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 335 -6.970 6.762 -0.276 1.00 0.00 H new ATOM 0 HB VAL A 335 -7.570 4.037 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -9.927 4.554 -0.932 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -8.912 4.462 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -9.403 6.047 -0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 335 -8.988 5.287 -3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 335 -8.416 6.817 -2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 335 -7.273 5.743 -3.198 1.00 0.00 H new ATOM 336 N GLY A 336 -6.313 3.660 0.695 1.00 0.00 N ATOM 337 CA GLY A 336 -5.949 2.858 1.841 1.00 0.00 C ATOM 338 C GLY A 336 -4.466 2.562 1.852 1.00 0.00 C ATOM 339 O GLY A 336 -3.647 3.478 1.776 1.00 0.00 O ATOM 0 H GLY A 336 -6.486 3.133 -0.161 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -6.225 3.381 2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -6.509 1.923 1.827 1.00 0.00 H new ATOM 343 N ALA A 337 -4.118 1.287 1.905 1.00 0.00 N ATOM 344 CA ALA A 337 -2.722 0.880 1.950 1.00 0.00 C ATOM 345 C ALA A 337 -2.124 0.942 0.558 1.00 0.00 C ATOM 346 O ALA A 337 -2.293 0.018 -0.240 1.00 0.00 O ATOM 347 CB ALA A 337 -2.589 -0.520 2.528 1.00 0.00 C ATOM 0 H ALA A 337 -4.784 0.514 1.918 1.00 0.00 H new ATOM 0 HA ALA A 337 -2.177 1.565 2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 337 -1.537 -0.805 2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 337 -2.993 -0.536 3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 337 -3.141 -1.224 1.906 1.00 0.00 H new ATOM 353 N SER A 338 -1.455 2.038 0.259 1.00 0.00 N ATOM 354 CA SER A 338 -0.934 2.271 -1.075 1.00 0.00 C ATOM 355 C SER A 338 0.571 2.007 -1.126 1.00 0.00 C ATOM 356 O SER A 338 1.310 2.383 -0.216 1.00 0.00 O ATOM 357 CB SER A 338 -1.252 3.705 -1.503 1.00 0.00 C ATOM 358 OG SER A 338 -2.625 4.005 -1.271 1.00 0.00 O ATOM 0 H SER A 338 -1.258 2.785 0.925 1.00 0.00 H new ATOM 0 HA SER A 338 -1.412 1.580 -1.769 1.00 0.00 H new ATOM 0 HB2 SER A 338 -0.623 4.403 -0.950 1.00 0.00 H new ATOM 0 HB3 SER A 338 -1.019 3.835 -2.560 1.00 0.00 H new ATOM 0 HG SER A 338 -2.697 4.850 -0.780 1.00 0.00 H new ATOM 364 N ILE A 339 1.006 1.344 -2.189 1.00 0.00 N ATOM 365 CA ILE A 339 2.408 1.015 -2.388 1.00 0.00 C ATOM 366 C ILE A 339 2.821 1.434 -3.801 1.00 0.00 C ATOM 367 O ILE A 339 1.969 1.572 -4.684 1.00 0.00 O ATOM 368 CB ILE A 339 2.659 -0.502 -2.169 1.00 0.00 C ATOM 369 CG1 ILE A 339 4.152 -0.842 -2.238 1.00 0.00 C ATOM 370 CG2 ILE A 339 1.880 -1.328 -3.181 1.00 0.00 C ATOM 371 CD1 ILE A 339 4.970 -0.227 -1.120 1.00 0.00 C ATOM 0 H ILE A 339 0.394 1.019 -2.938 1.00 0.00 H new ATOM 0 HA ILE A 339 3.011 1.554 -1.658 1.00 0.00 H new ATOM 0 HB ILE A 339 2.306 -0.751 -1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 339 4.270 -1.925 -2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 339 4.549 -0.503 -3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 339 2.070 -2.387 -3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 339 0.814 -1.128 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 339 2.196 -1.061 -4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 339 6.016 -0.512 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 339 4.883 0.859 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 339 4.600 -0.585 -0.159 1.00 0.00 H new ATOM 383 N GLN A 340 4.111 1.639 -4.023 1.00 0.00 N ATOM 384 CA GLN A 340 4.578 2.199 -5.273 1.00 0.00 C ATOM 385 C GLN A 340 5.585 1.279 -5.950 1.00 0.00 C ATOM 386 O GLN A 340 6.493 0.746 -5.311 1.00 0.00 O ATOM 387 CB GLN A 340 5.207 3.569 -5.024 1.00 0.00 C ATOM 388 CG GLN A 340 5.456 4.363 -6.292 1.00 0.00 C ATOM 389 CD GLN A 340 6.092 5.680 -6.047 1.00 0.00 C ATOM 390 OE1 GLN A 340 6.800 5.895 -5.062 1.00 0.00 O ATOM 391 NE2 GLN A 340 5.888 6.554 -6.984 1.00 0.00 N ATOM 0 H GLN A 340 4.849 1.425 -3.352 1.00 0.00 H new ATOM 0 HA GLN A 340 3.721 2.307 -5.938 1.00 0.00 H new ATOM 0 HB2 GLN A 340 4.555 4.145 -4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 340 6.152 3.435 -4.498 1.00 0.00 H new ATOM 0 HG2 GLN A 340 6.091 3.779 -6.958 1.00 0.00 H new ATOM 0 HG3 GLN A 340 4.508 4.516 -6.808 1.00 0.00 H new ATOM 0 HE21 GLN A 340 5.291 6.321 -7.778 1.00 0.00 H new ATOM 0 HE22 GLN A 340 6.324 7.474 -6.927 1.00 0.00 H new ATOM 400 N CYS A 341 5.394 1.097 -7.242 1.00 0.00 N ATOM 401 CA CYS A 341 6.332 0.368 -8.081 1.00 0.00 C ATOM 402 C CYS A 341 7.339 1.336 -8.675 1.00 0.00 C ATOM 403 O CYS A 341 7.034 2.511 -8.884 1.00 0.00 O ATOM 404 CB CYS A 341 5.587 -0.355 -9.207 1.00 0.00 C ATOM 405 SG CYS A 341 6.646 -0.967 -10.555 1.00 0.00 S ATOM 0 H CYS A 341 4.580 1.452 -7.744 1.00 0.00 H new ATOM 0 HA CYS A 341 6.851 -0.372 -7.471 1.00 0.00 H new ATOM 0 HB2 CYS A 341 5.043 -1.198 -8.781 1.00 0.00 H new ATOM 0 HB3 CYS A 341 4.845 0.324 -9.627 1.00 0.00 H new ATOM 0 HG CYS A 341 6.587 -0.145 -11.560 1.00 0.00 H new ATOM 410 N HIS A 342 8.526 0.842 -8.981 1.00 0.00 N ATOM 411 CA HIS A 342 9.572 1.706 -9.503 1.00 0.00 C ATOM 412 C HIS A 342 10.546 0.923 -10.377 1.00 0.00 C ATOM 413 O HIS A 342 10.365 -0.268 -10.607 1.00 0.00 O ATOM 414 CB HIS A 342 10.317 2.425 -8.356 1.00 0.00 C ATOM 415 CG HIS A 342 11.354 1.600 -7.647 1.00 0.00 C ATOM 416 ND1 HIS A 342 12.707 1.832 -7.772 1.00 0.00 N ATOM 417 CD2 HIS A 342 11.234 0.548 -6.807 1.00 0.00 C ATOM 418 CE1 HIS A 342 13.371 0.957 -7.045 1.00 0.00 C ATOM 419 NE2 HIS A 342 12.505 0.166 -6.449 1.00 0.00 N ATOM 0 H HIS A 342 8.788 -0.138 -8.879 1.00 0.00 H new ATOM 0 HA HIS A 342 9.098 2.464 -10.127 1.00 0.00 H new ATOM 0 HB2 HIS A 342 10.799 3.315 -8.760 1.00 0.00 H new ATOM 0 HB3 HIS A 342 9.583 2.764 -7.624 1.00 0.00 H new ATOM 0 HD1 HIS A 342 13.129 2.567 -8.339 1.00 0.00 H new ATOM 0 HD2 HIS A 342 10.312 0.092 -6.478 1.00 0.00 H new ATOM 0 HE1 HIS A 342 14.446 0.899 -6.954 1.00 0.00 H new ATOM 428 N LYS A 343 11.543 1.635 -10.871 1.00 0.00 N ATOM 429 CA LYS A 343 12.634 1.086 -11.676 1.00 0.00 C ATOM 430 C LYS A 343 13.447 2.241 -12.258 1.00 0.00 C ATOM 431 O LYS A 343 14.501 2.595 -11.736 1.00 0.00 O ATOM 432 CB LYS A 343 12.123 0.190 -12.814 1.00 0.00 C ATOM 433 CG LYS A 343 13.235 -0.473 -13.614 1.00 0.00 C ATOM 434 CD LYS A 343 14.043 -1.433 -12.758 1.00 0.00 C ATOM 435 CE LYS A 343 15.202 -2.025 -13.540 1.00 0.00 C ATOM 436 NZ LYS A 343 14.750 -2.879 -14.672 1.00 0.00 N ATOM 0 H LYS A 343 11.624 2.641 -10.722 1.00 0.00 H new ATOM 0 HA LYS A 343 13.253 0.465 -11.028 1.00 0.00 H new ATOM 0 HB2 LYS A 343 11.478 -0.582 -12.395 1.00 0.00 H new ATOM 0 HB3 LYS A 343 11.509 0.787 -13.488 1.00 0.00 H new ATOM 0 HG2 LYS A 343 12.805 -1.011 -14.459 1.00 0.00 H new ATOM 0 HG3 LYS A 343 13.894 0.292 -14.025 1.00 0.00 H new ATOM 0 HD2 LYS A 343 14.423 -0.910 -11.880 1.00 0.00 H new ATOM 0 HD3 LYS A 343 13.398 -2.234 -12.397 1.00 0.00 H new ATOM 0 HE2 LYS A 343 15.826 -1.218 -13.925 1.00 0.00 H new ATOM 0 HE3 LYS A 343 15.824 -2.617 -12.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 343 15.572 -3.353 -15.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 343 14.081 -3.594 -14.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 343 14.281 -2.288 -15.387 1.00 0.00 H new ATOM 450 N ALA A 344 12.927 2.842 -13.320 1.00 0.00 N ATOM 451 CA ALA A 344 13.558 4.000 -13.934 1.00 0.00 C ATOM 452 C ALA A 344 12.532 5.104 -14.163 1.00 0.00 C ATOM 453 O ALA A 344 12.542 6.130 -13.484 1.00 0.00 O ATOM 454 CB ALA A 344 14.223 3.605 -15.247 1.00 0.00 C ATOM 0 H ALA A 344 12.065 2.544 -13.776 1.00 0.00 H new ATOM 0 HA ALA A 344 14.325 4.379 -13.259 1.00 0.00 H new ATOM 0 HB1 ALA A 344 14.691 4.481 -15.696 1.00 0.00 H new ATOM 0 HB2 ALA A 344 14.981 2.846 -15.057 1.00 0.00 H new ATOM 0 HB3 ALA A 344 13.473 3.205 -15.929 1.00 0.00 H new ATOM 460 N ASN A 345 11.627 4.860 -15.097 1.00 0.00 N ATOM 461 CA ASN A 345 10.612 5.840 -15.477 1.00 0.00 C ATOM 462 C ASN A 345 9.222 5.217 -15.411 1.00 0.00 C ATOM 463 O ASN A 345 8.297 5.652 -16.095 1.00 0.00 O ATOM 464 CB ASN A 345 10.890 6.355 -16.896 1.00 0.00 C ATOM 465 CG ASN A 345 11.111 5.231 -17.902 1.00 0.00 C ATOM 466 OD1 ASN A 345 10.592 4.125 -17.751 1.00 0.00 O ATOM 467 ND2 ASN A 345 11.889 5.505 -18.936 1.00 0.00 N ATOM 0 H ASN A 345 11.572 3.982 -15.613 1.00 0.00 H new ATOM 0 HA ASN A 345 10.652 6.676 -14.779 1.00 0.00 H new ATOM 0 HB2 ASN A 345 10.052 6.970 -17.224 1.00 0.00 H new ATOM 0 HB3 ASN A 345 11.770 6.998 -16.878 1.00 0.00 H new ATOM 0 HD21 ASN A 345 12.075 4.789 -19.639 1.00 0.00 H new ATOM 0 HD22 ASN A 345 12.303 6.432 -19.031 1.00 0.00 H new ATOM 474 N CYS A 346 9.090 4.210 -14.563 1.00 0.00 N ATOM 475 CA CYS A 346 7.871 3.416 -14.479 1.00 0.00 C ATOM 476 C CYS A 346 6.712 4.223 -13.893 1.00 0.00 C ATOM 477 O CYS A 346 5.729 4.500 -14.579 1.00 0.00 O ATOM 478 CB CYS A 346 8.140 2.175 -13.626 1.00 0.00 C ATOM 479 SG CYS A 346 6.748 1.032 -13.498 1.00 0.00 S ATOM 0 H CYS A 346 9.821 3.919 -13.914 1.00 0.00 H new ATOM 0 HA CYS A 346 7.581 3.118 -15.486 1.00 0.00 H new ATOM 0 HB2 CYS A 346 8.994 1.641 -14.044 1.00 0.00 H new ATOM 0 HB3 CYS A 346 8.424 2.494 -12.623 1.00 0.00 H new ATOM 0 HG CYS A 346 5.636 1.682 -13.673 1.00 0.00 H new ATOM 484 N TYR A 347 6.847 4.587 -12.620 1.00 0.00 N ATOM 485 CA TYR A 347 5.824 5.344 -11.899 1.00 0.00 C ATOM 486 C TYR A 347 4.465 4.643 -11.892 1.00 0.00 C ATOM 487 O TYR A 347 3.463 5.198 -12.338 1.00 0.00 O ATOM 488 CB TYR A 347 5.685 6.759 -12.465 1.00 0.00 C ATOM 489 CG TYR A 347 6.276 7.821 -11.569 1.00 0.00 C ATOM 490 CD1 TYR A 347 6.192 7.706 -10.188 1.00 0.00 C ATOM 491 CD2 TYR A 347 6.915 8.936 -12.098 1.00 0.00 C ATOM 492 CE1 TYR A 347 6.728 8.671 -9.359 1.00 0.00 C ATOM 493 CE2 TYR A 347 7.452 9.906 -11.274 1.00 0.00 C ATOM 494 CZ TYR A 347 7.355 9.768 -9.906 1.00 0.00 C ATOM 495 OH TYR A 347 7.889 10.729 -9.078 1.00 0.00 O ATOM 0 H TYR A 347 7.669 4.366 -12.058 1.00 0.00 H new ATOM 0 HA TYR A 347 6.162 5.406 -10.864 1.00 0.00 H new ATOM 0 HB2 TYR A 347 6.172 6.803 -13.439 1.00 0.00 H new ATOM 0 HB3 TYR A 347 4.629 6.976 -12.627 1.00 0.00 H new ATOM 0 HD1 TYR A 347 5.699 6.848 -9.755 1.00 0.00 H new ATOM 0 HD2 TYR A 347 6.993 9.046 -13.170 1.00 0.00 H new ATOM 0 HE1 TYR A 347 6.656 8.566 -8.287 1.00 0.00 H new ATOM 0 HE2 TYR A 347 7.945 10.768 -11.699 1.00 0.00 H new ATOM 0 HH TYR A 347 8.297 11.437 -9.619 1.00 0.00 H new ATOM 505 N THR A 348 4.437 3.427 -11.377 1.00 0.00 N ATOM 506 CA THR A 348 3.186 2.697 -11.217 1.00 0.00 C ATOM 507 C THR A 348 2.835 2.604 -9.741 1.00 0.00 C ATOM 508 O THR A 348 3.722 2.428 -8.907 1.00 0.00 O ATOM 509 CB THR A 348 3.263 1.272 -11.799 1.00 0.00 C ATOM 510 OG1 THR A 348 3.971 1.275 -13.039 1.00 0.00 O ATOM 511 CG2 THR A 348 1.872 0.699 -12.020 1.00 0.00 C ATOM 0 H THR A 348 5.265 2.921 -11.061 1.00 0.00 H new ATOM 0 HA THR A 348 2.419 3.246 -11.764 1.00 0.00 H new ATOM 0 HB THR A 348 3.794 0.649 -11.079 1.00 0.00 H new ATOM 0 HG1 THR A 348 4.698 0.619 -13.002 1.00 0.00 H new ATOM 0 HG21 THR A 348 1.954 -0.307 -12.431 1.00 0.00 H new ATOM 0 HG22 THR A 348 1.339 0.660 -11.070 1.00 0.00 H new ATOM 0 HG23 THR A 348 1.324 1.332 -12.718 1.00 0.00 H new ATOM 519 N ALA A 349 1.562 2.713 -9.410 1.00 0.00 N ATOM 520 CA ALA A 349 1.143 2.602 -8.028 1.00 0.00 C ATOM 521 C ALA A 349 -0.052 1.679 -7.893 1.00 0.00 C ATOM 522 O ALA A 349 -0.781 1.434 -8.858 1.00 0.00 O ATOM 523 CB ALA A 349 0.830 3.972 -7.460 1.00 0.00 C ATOM 0 H ALA A 349 0.806 2.877 -10.075 1.00 0.00 H new ATOM 0 HA ALA A 349 1.964 2.169 -7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 349 0.517 3.872 -6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 349 1.720 4.599 -7.512 1.00 0.00 H new ATOM 0 HB3 ALA A 349 0.028 4.431 -8.038 1.00 0.00 H new ATOM 529 N PHE A 350 -0.226 1.147 -6.696 1.00 0.00 N ATOM 530 CA PHE A 350 -1.335 0.264 -6.393 1.00 0.00 C ATOM 531 C PHE A 350 -1.450 0.087 -4.889 1.00 0.00 C ATOM 532 O PHE A 350 -0.759 0.754 -4.127 1.00 0.00 O ATOM 533 CB PHE A 350 -1.189 -1.095 -7.109 1.00 0.00 C ATOM 534 CG PHE A 350 0.144 -1.776 -6.931 1.00 0.00 C ATOM 535 CD1 PHE A 350 1.279 -1.293 -7.568 1.00 0.00 C ATOM 536 CD2 PHE A 350 0.258 -2.914 -6.149 1.00 0.00 C ATOM 537 CE1 PHE A 350 2.494 -1.928 -7.426 1.00 0.00 C ATOM 538 CE2 PHE A 350 1.476 -3.550 -6.002 1.00 0.00 C ATOM 539 CZ PHE A 350 2.594 -3.057 -6.642 1.00 0.00 C ATOM 0 H PHE A 350 0.399 1.316 -5.907 1.00 0.00 H new ATOM 0 HA PHE A 350 -2.253 0.719 -6.765 1.00 0.00 H new ATOM 0 HB2 PHE A 350 -1.971 -1.763 -6.748 1.00 0.00 H new ATOM 0 HB3 PHE A 350 -1.363 -0.946 -8.175 1.00 0.00 H new ATOM 0 HD1 PHE A 350 1.209 -0.408 -8.183 1.00 0.00 H new ATOM 0 HD2 PHE A 350 -0.614 -3.308 -5.649 1.00 0.00 H new ATOM 0 HE1 PHE A 350 3.368 -1.541 -7.929 1.00 0.00 H new ATOM 0 HE2 PHE A 350 1.553 -4.434 -5.386 1.00 0.00 H new ATOM 0 HZ PHE A 350 3.546 -3.555 -6.529 1.00 0.00 H new ATOM 549 N HIS A 351 -2.338 -0.784 -4.455 1.00 0.00 N ATOM 550 CA HIS A 351 -2.531 -1.003 -3.028 1.00 0.00 C ATOM 551 C HIS A 351 -1.897 -2.311 -2.591 1.00 0.00 C ATOM 552 O HIS A 351 -1.739 -3.227 -3.395 1.00 0.00 O ATOM 553 CB HIS A 351 -4.019 -1.000 -2.663 1.00 0.00 C ATOM 554 CG HIS A 351 -4.675 0.332 -2.823 1.00 0.00 C ATOM 555 ND1 HIS A 351 -5.546 0.626 -3.856 1.00 0.00 N ATOM 556 CD2 HIS A 351 -4.575 1.460 -2.081 1.00 0.00 C ATOM 557 CE1 HIS A 351 -5.943 1.889 -3.738 1.00 0.00 C ATOM 558 NE2 HIS A 351 -5.370 2.415 -2.674 1.00 0.00 N ATOM 0 H HIS A 351 -2.934 -1.349 -5.060 1.00 0.00 H new ATOM 0 HA HIS A 351 -2.044 -0.182 -2.503 1.00 0.00 H new ATOM 0 HB2 HIS A 351 -4.538 -1.728 -3.287 1.00 0.00 H new ATOM 0 HB3 HIS A 351 -4.131 -1.328 -1.630 1.00 0.00 H new ATOM 0 HD2 HIS A 351 -3.981 1.587 -1.188 1.00 0.00 H new ATOM 0 HE1 HIS A 351 -6.623 2.400 -4.404 1.00 0.00 H new ATOM 0 HE2 HIS A 351 -5.495 3.372 -2.344 1.00 0.00 H new ATOM 566 N VAL A 352 -1.543 -2.392 -1.317 1.00 0.00 N ATOM 567 CA VAL A 352 -1.001 -3.618 -0.748 1.00 0.00 C ATOM 568 C VAL A 352 -2.031 -4.740 -0.860 1.00 0.00 C ATOM 569 O VAL A 352 -1.690 -5.892 -1.120 1.00 0.00 O ATOM 570 CB VAL A 352 -0.596 -3.421 0.730 1.00 0.00 C ATOM 571 CG1 VAL A 352 0.004 -4.695 1.307 1.00 0.00 C ATOM 572 CG2 VAL A 352 0.383 -2.266 0.865 1.00 0.00 C ATOM 0 H VAL A 352 -1.622 -1.620 -0.655 1.00 0.00 H new ATOM 0 HA VAL A 352 -0.106 -3.886 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 352 -1.496 -3.183 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 352 0.280 -4.528 2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 352 -0.728 -5.500 1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 352 0.891 -4.971 0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 352 0.657 -2.142 1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 352 1.277 -2.477 0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 352 -0.082 -1.350 0.501 1.00 0.00 H new ATOM 582 N THR A 353 -3.299 -4.385 -0.690 1.00 0.00 N ATOM 583 CA THR A 353 -4.385 -5.340 -0.863 1.00 0.00 C ATOM 584 C THR A 353 -4.513 -5.750 -2.333 1.00 0.00 C ATOM 585 O THR A 353 -4.917 -6.867 -2.633 1.00 0.00 O ATOM 586 CB THR A 353 -5.731 -4.783 -0.338 1.00 0.00 C ATOM 587 OG1 THR A 353 -6.779 -5.737 -0.531 1.00 0.00 O ATOM 588 CG2 THR A 353 -6.100 -3.475 -1.023 1.00 0.00 C ATOM 0 H THR A 353 -3.599 -3.445 -0.433 1.00 0.00 H new ATOM 0 HA THR A 353 -4.141 -6.222 -0.271 1.00 0.00 H new ATOM 0 HB THR A 353 -5.609 -4.590 0.728 1.00 0.00 H new ATOM 0 HG1 THR A 353 -7.195 -5.593 -1.407 1.00 0.00 H new ATOM 0 HG21 THR A 353 -7.050 -3.114 -0.630 1.00 0.00 H new ATOM 0 HG22 THR A 353 -5.324 -2.734 -0.834 1.00 0.00 H new ATOM 0 HG23 THR A 353 -6.191 -3.640 -2.097 1.00 0.00 H new ATOM 596 N CYS A 354 -4.129 -4.854 -3.246 1.00 0.00 N ATOM 597 CA CYS A 354 -4.124 -5.174 -4.671 1.00 0.00 C ATOM 598 C CYS A 354 -3.051 -6.215 -4.958 1.00 0.00 C ATOM 599 O CYS A 354 -3.247 -7.125 -5.762 1.00 0.00 O ATOM 600 CB CYS A 354 -3.865 -3.922 -5.518 1.00 0.00 C ATOM 601 SG CYS A 354 -5.105 -2.612 -5.352 1.00 0.00 S ATOM 0 H CYS A 354 -3.820 -3.908 -3.023 1.00 0.00 H new ATOM 0 HA CYS A 354 -5.104 -5.570 -4.936 1.00 0.00 H new ATOM 0 HB2 CYS A 354 -2.891 -3.515 -5.248 1.00 0.00 H new ATOM 0 HB3 CYS A 354 -3.808 -4.217 -6.566 1.00 0.00 H new ATOM 0 HG CYS A 354 -4.691 -1.543 -5.965 1.00 0.00 H new ATOM 606 N ALA A 355 -1.919 -6.075 -4.278 1.00 0.00 N ATOM 607 CA ALA A 355 -0.824 -7.022 -4.409 1.00 0.00 C ATOM 608 C ALA A 355 -1.227 -8.381 -3.865 1.00 0.00 C ATOM 609 O ALA A 355 -0.899 -9.411 -4.444 1.00 0.00 O ATOM 610 CB ALA A 355 0.406 -6.508 -3.682 1.00 0.00 C ATOM 0 H ALA A 355 -1.737 -5.310 -3.628 1.00 0.00 H new ATOM 0 HA ALA A 355 -0.586 -7.130 -5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 355 1.218 -7.227 -3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 355 0.709 -5.552 -4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 355 0.175 -6.375 -2.625 1.00 0.00 H new ATOM 616 N GLN A 356 -1.945 -8.371 -2.751 1.00 0.00 N ATOM 617 CA GLN A 356 -2.452 -9.599 -2.154 1.00 0.00 C ATOM 618 C GLN A 356 -3.544 -10.209 -3.028 1.00 0.00 C ATOM 619 O GLN A 356 -3.727 -11.422 -3.057 1.00 0.00 O ATOM 620 CB GLN A 356 -3.001 -9.321 -0.756 1.00 0.00 C ATOM 621 CG GLN A 356 -1.946 -8.839 0.226 1.00 0.00 C ATOM 622 CD GLN A 356 -2.532 -8.499 1.581 1.00 0.00 C ATOM 623 OE1 GLN A 356 -1.910 -7.565 2.278 1.00 0.00 O flip ATOM 624 NE2 GLN A 356 -3.534 -9.078 2.001 1.00 0.00 N flip ATOM 0 H GLN A 356 -2.190 -7.523 -2.240 1.00 0.00 H new ATOM 0 HA GLN A 356 -1.628 -10.308 -2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 356 -3.789 -8.572 -0.827 1.00 0.00 H new ATOM 0 HB3 GLN A 356 -3.459 -10.230 -0.367 1.00 0.00 H new ATOM 0 HG2 GLN A 356 -1.185 -9.610 0.345 1.00 0.00 H new ATOM 0 HG3 GLN A 356 -1.448 -7.960 -0.182 1.00 0.00 H new ATOM 0 HE21 GLN A 356 -3.986 -9.794 1.432 1.00 0.00 H new ATOM 0 HE22 GLN A 356 -3.913 -8.842 2.918 1.00 0.00 H new ATOM 633 N LYS A 357 -4.270 -9.349 -3.731 1.00 0.00 N ATOM 634 CA LYS A 357 -5.313 -9.794 -4.643 1.00 0.00 C ATOM 635 C LYS A 357 -4.703 -10.523 -5.833 1.00 0.00 C ATOM 636 O LYS A 357 -5.059 -11.664 -6.126 1.00 0.00 O ATOM 637 CB LYS A 357 -6.132 -8.600 -5.146 1.00 0.00 C ATOM 638 CG LYS A 357 -7.615 -8.650 -4.789 1.00 0.00 C ATOM 639 CD LYS A 357 -7.911 -8.014 -3.433 1.00 0.00 C ATOM 640 CE LYS A 357 -7.343 -8.820 -2.277 1.00 0.00 C ATOM 641 NZ LYS A 357 -7.768 -8.275 -0.962 1.00 0.00 N ATOM 0 H LYS A 357 -4.154 -8.337 -3.686 1.00 0.00 H new ATOM 0 HA LYS A 357 -5.968 -10.475 -4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 357 -5.704 -7.685 -4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 357 -6.035 -8.541 -6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 357 -8.189 -8.137 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 357 -7.949 -9.688 -4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 357 -7.495 -7.007 -3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 357 -8.989 -7.916 -3.309 1.00 0.00 H new ATOM 0 HE2 LYS A 357 -7.668 -9.857 -2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 357 -6.255 -8.821 -2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 357 -7.505 -8.942 -0.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 357 -7.298 -7.362 -0.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 357 -8.799 -8.139 -0.960 1.00 0.00 H new ATOM 655 N ALA A 358 -3.767 -9.862 -6.505 1.00 0.00 N ATOM 656 CA ALA A 358 -3.173 -10.399 -7.721 1.00 0.00 C ATOM 657 C ALA A 358 -2.096 -11.436 -7.421 1.00 0.00 C ATOM 658 O ALA A 358 -1.875 -12.358 -8.207 1.00 0.00 O ATOM 659 CB ALA A 358 -2.596 -9.272 -8.564 1.00 0.00 C ATOM 0 H ALA A 358 -3.403 -8.951 -6.226 1.00 0.00 H new ATOM 0 HA ALA A 358 -3.964 -10.901 -8.279 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -2.154 -9.685 -9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -3.390 -8.575 -8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -1.830 -8.747 -7.994 1.00 0.00 H new ATOM 665 N GLY A 359 -1.429 -11.284 -6.285 1.00 0.00 N ATOM 666 CA GLY A 359 -0.347 -12.185 -5.937 1.00 0.00 C ATOM 667 C GLY A 359 0.913 -11.861 -6.711 1.00 0.00 C ATOM 668 O GLY A 359 1.443 -12.706 -7.431 1.00 0.00 O ATOM 0 H GLY A 359 -1.617 -10.554 -5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 359 -0.146 -12.119 -4.868 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.647 -13.213 -6.142 1.00 0.00 H new ATOM 672 N LEU A 360 1.382 -10.625 -6.577 1.00 0.00 N ATOM 673 CA LEU A 360 2.527 -10.157 -7.352 1.00 0.00 C ATOM 674 C LEU A 360 3.797 -10.090 -6.506 1.00 0.00 C ATOM 675 O LEU A 360 3.780 -10.378 -5.307 1.00 0.00 O ATOM 676 CB LEU A 360 2.214 -8.796 -7.998 1.00 0.00 C ATOM 677 CG LEU A 360 1.708 -7.701 -7.050 1.00 0.00 C ATOM 678 CD1 LEU A 360 2.858 -7.036 -6.307 1.00 0.00 C ATOM 679 CD2 LEU A 360 0.903 -6.668 -7.823 1.00 0.00 C ATOM 0 H LEU A 360 0.989 -9.931 -5.941 1.00 0.00 H new ATOM 0 HA LEU A 360 2.713 -10.882 -8.145 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.117 -8.434 -8.490 1.00 0.00 H new ATOM 0 HB3 LEU A 360 1.466 -8.949 -8.776 1.00 0.00 H new ATOM 0 HG LEU A 360 1.061 -8.169 -6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 360 2.465 -6.265 -5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 360 3.392 -7.783 -5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 360 3.542 -6.583 -7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 360 0.549 -5.896 -7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 360 1.533 -6.214 -8.588 1.00 0.00 H new ATOM 0 HD23 LEU A 360 0.049 -7.152 -8.296 1.00 0.00 H new ATOM 691 N TYR A 361 4.892 -9.693 -7.145 1.00 0.00 N ATOM 692 CA TYR A 361 6.204 -9.686 -6.513 1.00 0.00 C ATOM 693 C TYR A 361 6.380 -8.484 -5.587 1.00 0.00 C ATOM 694 O TYR A 361 6.225 -7.330 -5.995 1.00 0.00 O ATOM 695 CB TYR A 361 7.300 -9.683 -7.584 1.00 0.00 C ATOM 696 CG TYR A 361 8.709 -9.707 -7.028 1.00 0.00 C ATOM 697 CD1 TYR A 361 9.371 -8.527 -6.707 1.00 0.00 C ATOM 698 CD2 TYR A 361 9.377 -10.910 -6.827 1.00 0.00 C ATOM 699 CE1 TYR A 361 10.657 -8.544 -6.201 1.00 0.00 C ATOM 700 CE2 TYR A 361 10.663 -10.934 -6.322 1.00 0.00 C ATOM 701 CZ TYR A 361 11.298 -9.749 -6.012 1.00 0.00 C ATOM 702 OH TYR A 361 12.578 -9.769 -5.504 1.00 0.00 O ATOM 0 H TYR A 361 4.894 -9.368 -8.112 1.00 0.00 H new ATOM 0 HA TYR A 361 6.285 -10.588 -5.907 1.00 0.00 H new ATOM 0 HB2 TYR A 361 7.162 -10.548 -8.232 1.00 0.00 H new ATOM 0 HB3 TYR A 361 7.182 -8.796 -8.207 1.00 0.00 H new ATOM 0 HD1 TYR A 361 8.872 -7.581 -6.856 1.00 0.00 H new ATOM 0 HD2 TYR A 361 8.883 -11.839 -7.069 1.00 0.00 H new ATOM 0 HE1 TYR A 361 11.156 -7.618 -5.955 1.00 0.00 H new ATOM 0 HE2 TYR A 361 11.169 -11.876 -6.171 1.00 0.00 H new ATOM 0 HH TYR A 361 12.886 -10.696 -5.431 1.00 0.00 H new ATOM 712 N MET A 362 6.715 -8.767 -4.337 1.00 0.00 N ATOM 713 CA MET A 362 7.075 -7.733 -3.380 1.00 0.00 C ATOM 714 C MET A 362 8.420 -8.047 -2.739 1.00 0.00 C ATOM 715 O MET A 362 8.637 -9.148 -2.237 1.00 0.00 O ATOM 716 CB MET A 362 6.011 -7.590 -2.290 1.00 0.00 C ATOM 717 CG MET A 362 4.938 -6.562 -2.608 1.00 0.00 C ATOM 718 SD MET A 362 3.787 -6.321 -1.239 1.00 0.00 S ATOM 719 CE MET A 362 2.881 -4.888 -1.815 1.00 0.00 C ATOM 0 H MET A 362 6.745 -9.714 -3.960 1.00 0.00 H new ATOM 0 HA MET A 362 7.143 -6.791 -3.924 1.00 0.00 H new ATOM 0 HB2 MET A 362 5.537 -8.558 -2.130 1.00 0.00 H new ATOM 0 HB3 MET A 362 6.498 -7.315 -1.354 1.00 0.00 H new ATOM 0 HG2 MET A 362 5.411 -5.611 -2.853 1.00 0.00 H new ATOM 0 HG3 MET A 362 4.385 -6.880 -3.492 1.00 0.00 H new ATOM 0 HE1 MET A 362 1.814 -5.043 -1.654 1.00 0.00 H new ATOM 0 HE2 MET A 362 3.206 -4.006 -1.263 1.00 0.00 H new ATOM 0 HE3 MET A 362 3.070 -4.741 -2.878 1.00 0.00 H new ATOM 729 N LYS A 363 9.320 -7.082 -2.764 1.00 0.00 N ATOM 730 CA LYS A 363 10.616 -7.231 -2.128 1.00 0.00 C ATOM 731 C LYS A 363 10.513 -6.732 -0.693 1.00 0.00 C ATOM 732 O LYS A 363 9.992 -5.645 -0.447 1.00 0.00 O ATOM 733 CB LYS A 363 11.678 -6.449 -2.907 1.00 0.00 C ATOM 734 CG LYS A 363 13.098 -6.662 -2.412 1.00 0.00 C ATOM 735 CD LYS A 363 14.078 -5.780 -3.168 1.00 0.00 C ATOM 736 CE LYS A 363 15.511 -6.026 -2.732 1.00 0.00 C ATOM 737 NZ LYS A 363 16.457 -5.063 -3.358 1.00 0.00 N ATOM 0 H LYS A 363 9.176 -6.181 -3.221 1.00 0.00 H new ATOM 0 HA LYS A 363 10.914 -8.280 -2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 363 11.625 -6.735 -3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 363 11.442 -5.386 -2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 363 13.152 -6.441 -1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 363 13.376 -7.709 -2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 363 13.986 -5.969 -4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 363 13.824 -4.733 -3.006 1.00 0.00 H new ATOM 0 HE2 LYS A 363 15.578 -5.947 -1.647 1.00 0.00 H new ATOM 0 HE3 LYS A 363 15.801 -7.043 -2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 17.424 -5.266 -3.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 16.412 -5.155 -4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 16.197 -4.094 -3.085 1.00 0.00 H new ATOM 751 N MET A 364 10.997 -7.520 0.247 1.00 0.00 N ATOM 752 CA MET A 364 10.791 -7.237 1.654 1.00 0.00 C ATOM 753 C MET A 364 12.085 -7.454 2.401 1.00 0.00 C ATOM 754 O MET A 364 12.521 -8.587 2.607 1.00 0.00 O ATOM 755 CB MET A 364 9.684 -8.121 2.235 1.00 0.00 C ATOM 756 CG MET A 364 8.340 -7.904 1.568 1.00 0.00 C ATOM 757 SD MET A 364 6.962 -8.550 2.528 1.00 0.00 S ATOM 758 CE MET A 364 5.608 -7.703 1.720 1.00 0.00 C ATOM 0 H MET A 364 11.538 -8.365 0.061 1.00 0.00 H new ATOM 0 HA MET A 364 10.478 -6.199 1.763 1.00 0.00 H new ATOM 0 HB2 MET A 364 9.970 -9.168 2.131 1.00 0.00 H new ATOM 0 HB3 MET A 364 9.590 -7.921 3.302 1.00 0.00 H new ATOM 0 HG2 MET A 364 8.191 -6.837 1.403 1.00 0.00 H new ATOM 0 HG3 MET A 364 8.347 -8.380 0.588 1.00 0.00 H new ATOM 0 HE1 MET A 364 5.104 -7.056 2.438 1.00 0.00 H new ATOM 0 HE2 MET A 364 5.994 -7.101 0.898 1.00 0.00 H new ATOM 0 HE3 MET A 364 4.900 -8.436 1.332 1.00 0.00 H new ATOM 768 N GLU A 365 12.704 -6.362 2.783 1.00 0.00 N ATOM 769 CA GLU A 365 14.017 -6.412 3.374 1.00 0.00 C ATOM 770 C GLU A 365 13.991 -5.925 4.813 1.00 0.00 C ATOM 771 O GLU A 365 13.563 -4.801 5.092 1.00 0.00 O ATOM 772 CB GLU A 365 14.959 -5.544 2.556 1.00 0.00 C ATOM 773 CG GLU A 365 15.201 -6.045 1.149 1.00 0.00 C ATOM 774 CD GLU A 365 16.174 -5.163 0.401 1.00 0.00 C ATOM 775 OE1 GLU A 365 15.744 -4.131 -0.148 1.00 0.00 O ATOM 776 OE2 GLU A 365 17.375 -5.496 0.356 1.00 0.00 O ATOM 0 H GLU A 365 12.315 -5.423 2.694 1.00 0.00 H new ATOM 0 HA GLU A 365 14.362 -7.446 3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 365 14.552 -4.534 2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 365 15.915 -5.476 3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 365 15.588 -7.063 1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 365 14.255 -6.083 0.609 1.00 0.00 H new ATOM 783 N PRO A 366 14.436 -6.767 5.748 1.00 0.00 N ATOM 784 CA PRO A 366 14.613 -6.374 7.128 1.00 0.00 C ATOM 785 C PRO A 366 16.022 -5.842 7.367 1.00 0.00 C ATOM 786 O PRO A 366 16.966 -6.607 7.560 1.00 0.00 O ATOM 787 CB PRO A 366 14.375 -7.679 7.888 1.00 0.00 C ATOM 788 CG PRO A 366 14.744 -8.775 6.933 1.00 0.00 C ATOM 789 CD PRO A 366 14.779 -8.180 5.541 1.00 0.00 C ATOM 0 HA PRO A 366 13.945 -5.571 7.439 1.00 0.00 H new ATOM 0 HB2 PRO A 366 14.985 -7.724 8.790 1.00 0.00 H new ATOM 0 HB3 PRO A 366 13.335 -7.766 8.201 1.00 0.00 H new ATOM 0 HG2 PRO A 366 15.714 -9.198 7.193 1.00 0.00 H new ATOM 0 HG3 PRO A 366 14.019 -9.587 6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 366 15.763 -8.289 5.085 1.00 0.00 H new ATOM 0 HD3 PRO A 366 14.065 -8.671 4.879 1.00 0.00 H new ATOM 797 N VAL A 367 16.160 -4.530 7.334 1.00 0.00 N ATOM 798 CA VAL A 367 17.463 -3.905 7.449 1.00 0.00 C ATOM 799 C VAL A 367 17.760 -3.565 8.901 1.00 0.00 C ATOM 800 O VAL A 367 16.963 -2.911 9.579 1.00 0.00 O ATOM 801 CB VAL A 367 17.590 -2.640 6.565 1.00 0.00 C ATOM 802 CG1 VAL A 367 17.672 -3.022 5.097 1.00 0.00 C ATOM 803 CG2 VAL A 367 16.431 -1.679 6.789 1.00 0.00 C ATOM 0 H VAL A 367 15.384 -3.876 7.228 1.00 0.00 H new ATOM 0 HA VAL A 367 18.198 -4.625 7.089 1.00 0.00 H new ATOM 0 HB VAL A 367 18.509 -2.131 6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 367 17.761 -2.120 4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 367 18.544 -3.656 4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 367 16.771 -3.564 4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 367 16.556 -0.804 6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 367 15.493 -2.177 6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 367 16.413 -1.367 7.833 1.00 0.00 H new ATOM 813 N LYS A 368 18.895 -4.037 9.387 1.00 0.00 N ATOM 814 CA LYS A 368 19.265 -3.803 10.765 1.00 0.00 C ATOM 815 C LYS A 368 19.949 -2.453 10.892 1.00 0.00 C ATOM 816 O LYS A 368 20.989 -2.205 10.282 1.00 0.00 O ATOM 817 CB LYS A 368 20.166 -4.918 11.286 1.00 0.00 C ATOM 818 CG LYS A 368 19.940 -5.223 12.759 1.00 0.00 C ATOM 819 CD LYS A 368 20.859 -6.328 13.246 1.00 0.00 C ATOM 820 CE LYS A 368 22.282 -5.831 13.409 1.00 0.00 C ATOM 821 NZ LYS A 368 22.443 -5.009 14.634 1.00 0.00 N ATOM 0 H LYS A 368 19.570 -4.581 8.849 1.00 0.00 H new ATOM 0 HA LYS A 368 18.360 -3.798 11.373 1.00 0.00 H new ATOM 0 HB2 LYS A 368 19.991 -5.822 10.702 1.00 0.00 H new ATOM 0 HB3 LYS A 368 21.208 -4.637 11.134 1.00 0.00 H new ATOM 0 HG2 LYS A 368 20.109 -4.322 13.348 1.00 0.00 H new ATOM 0 HG3 LYS A 368 18.902 -5.516 12.916 1.00 0.00 H new ATOM 0 HD2 LYS A 368 20.495 -6.713 14.199 1.00 0.00 H new ATOM 0 HD3 LYS A 368 20.840 -7.157 12.539 1.00 0.00 H new ATOM 0 HE2 LYS A 368 22.962 -6.682 13.451 1.00 0.00 H new ATOM 0 HE3 LYS A 368 22.563 -5.241 12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 23.130 -4.249 14.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 21.527 -4.593 14.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 22.786 -5.608 15.412 1.00 0.00 H new ATOM 835 N GLU A 369 19.344 -1.594 11.684 1.00 0.00 N ATOM 836 CA GLU A 369 19.785 -0.220 11.836 1.00 0.00 C ATOM 837 C GLU A 369 20.335 -0.035 13.253 1.00 0.00 C ATOM 838 O GLU A 369 20.327 -0.983 14.037 1.00 0.00 O ATOM 839 CB GLU A 369 18.601 0.709 11.525 1.00 0.00 C ATOM 840 CG GLU A 369 18.943 2.182 11.360 1.00 0.00 C ATOM 841 CD GLU A 369 17.791 2.973 10.778 1.00 0.00 C ATOM 842 OE1 GLU A 369 16.921 3.432 11.554 1.00 0.00 O ATOM 843 OE2 GLU A 369 17.745 3.140 9.544 1.00 0.00 O ATOM 0 H GLU A 369 18.526 -1.829 12.246 1.00 0.00 H new ATOM 0 HA GLU A 369 20.588 0.029 11.142 1.00 0.00 H new ATOM 0 HB2 GLU A 369 18.121 0.362 10.610 1.00 0.00 H new ATOM 0 HB3 GLU A 369 17.868 0.613 12.326 1.00 0.00 H new ATOM 0 HG2 GLU A 369 19.217 2.601 12.328 1.00 0.00 H new ATOM 0 HG3 GLU A 369 19.814 2.281 10.712 1.00 0.00 H new ATOM 850 N LEU A 370 20.836 1.153 13.571 1.00 0.00 N ATOM 851 CA LEU A 370 21.531 1.397 14.808 1.00 0.00 C ATOM 852 C LEU A 370 21.135 2.739 15.417 1.00 0.00 C ATOM 853 O LEU A 370 21.781 3.215 16.353 1.00 0.00 O ATOM 854 CB LEU A 370 23.026 1.383 14.522 1.00 0.00 C ATOM 855 CG LEU A 370 23.442 1.829 13.113 1.00 0.00 C ATOM 856 CD1 LEU A 370 23.287 3.334 12.940 1.00 0.00 C ATOM 857 CD2 LEU A 370 24.873 1.399 12.821 1.00 0.00 C ATOM 0 H LEU A 370 20.766 1.972 12.967 1.00 0.00 H new ATOM 0 HA LEU A 370 21.265 0.621 15.526 1.00 0.00 H new ATOM 0 HB2 LEU A 370 23.521 2.028 15.248 1.00 0.00 H new ATOM 0 HB3 LEU A 370 23.399 0.372 14.687 1.00 0.00 H new ATOM 0 HG LEU A 370 22.779 1.343 12.397 1.00 0.00 H new ATOM 0 HD11 LEU A 370 23.590 3.617 11.932 1.00 0.00 H new ATOM 0 HD12 LEU A 370 22.245 3.613 13.098 1.00 0.00 H new ATOM 0 HD13 LEU A 370 23.915 3.850 13.666 1.00 0.00 H new ATOM 0 HD21 LEU A 370 25.153 1.723 11.818 1.00 0.00 H new ATOM 0 HD22 LEU A 370 25.545 1.853 13.549 1.00 0.00 H new ATOM 0 HD23 LEU A 370 24.947 0.313 12.886 1.00 0.00 H new ATOM 869 N THR A 371 20.077 3.335 14.879 1.00 0.00 N ATOM 870 CA THR A 371 19.652 4.677 15.272 1.00 0.00 C ATOM 871 C THR A 371 19.477 4.803 16.787 1.00 0.00 C ATOM 872 O THR A 371 18.655 4.115 17.391 1.00 0.00 O ATOM 873 CB THR A 371 18.332 5.057 14.570 1.00 0.00 C ATOM 874 OG1 THR A 371 18.481 4.910 13.151 1.00 0.00 O ATOM 875 CG2 THR A 371 17.931 6.490 14.891 1.00 0.00 C ATOM 0 H THR A 371 19.492 2.906 14.162 1.00 0.00 H new ATOM 0 HA THR A 371 20.441 5.362 14.963 1.00 0.00 H new ATOM 0 HB THR A 371 17.549 4.391 14.933 1.00 0.00 H new ATOM 0 HG1 THR A 371 17.664 4.521 12.775 1.00 0.00 H new ATOM 0 HG21 THR A 371 16.997 6.729 14.382 1.00 0.00 H new ATOM 0 HG22 THR A 371 17.796 6.598 15.967 1.00 0.00 H new ATOM 0 HG23 THR A 371 18.713 7.171 14.554 1.00 0.00 H new ATOM 883 N GLY A 372 20.271 5.676 17.395 1.00 0.00 N ATOM 884 CA GLY A 372 20.156 5.915 18.819 1.00 0.00 C ATOM 885 C GLY A 372 21.351 5.406 19.597 1.00 0.00 C ATOM 886 O GLY A 372 21.622 5.873 20.704 1.00 0.00 O ATOM 0 H GLY A 372 20.993 6.223 16.926 1.00 0.00 H new ATOM 0 HA2 GLY A 372 20.042 6.985 18.995 1.00 0.00 H new ATOM 0 HA3 GLY A 372 19.253 5.432 19.192 1.00 0.00 H new ATOM 890 N GLY A 373 22.069 4.452 19.023 1.00 0.00 N ATOM 891 CA GLY A 373 23.213 3.878 19.704 1.00 0.00 C ATOM 892 C GLY A 373 22.976 2.433 20.089 1.00 0.00 C ATOM 893 O GLY A 373 22.963 2.086 21.272 1.00 0.00 O ATOM 0 H GLY A 373 21.881 4.065 18.098 1.00 0.00 H new ATOM 0 HA2 GLY A 373 24.089 3.943 19.059 1.00 0.00 H new ATOM 0 HA3 GLY A 373 23.432 4.461 20.599 1.00 0.00 H new ATOM 897 N GLY A 374 22.785 1.592 19.086 1.00 0.00 N ATOM 898 CA GLY A 374 22.519 0.188 19.322 1.00 0.00 C ATOM 899 C GLY A 374 22.033 -0.489 18.063 1.00 0.00 C ATOM 900 O GLY A 374 22.757 -0.559 17.073 1.00 0.00 O ATOM 0 H GLY A 374 22.810 1.860 18.102 1.00 0.00 H new ATOM 0 HA2 GLY A 374 23.425 -0.303 19.677 1.00 0.00 H new ATOM 0 HA3 GLY A 374 21.771 0.083 20.108 1.00 0.00 H new ATOM 904 N THR A 375 20.808 -0.986 18.089 1.00 0.00 N ATOM 905 CA THR A 375 20.216 -1.553 16.897 1.00 0.00 C ATOM 906 C THR A 375 18.720 -1.242 16.839 1.00 0.00 C ATOM 907 O THR A 375 18.050 -1.173 17.866 1.00 0.00 O ATOM 908 CB THR A 375 20.459 -3.076 16.803 1.00 0.00 C ATOM 909 OG1 THR A 375 20.246 -3.512 15.452 1.00 0.00 O ATOM 910 CG2 THR A 375 19.546 -3.855 17.743 1.00 0.00 C ATOM 0 H THR A 375 20.211 -1.007 18.916 1.00 0.00 H new ATOM 0 HA THR A 375 20.704 -1.091 16.039 1.00 0.00 H new ATOM 0 HB THR A 375 21.489 -3.271 17.103 1.00 0.00 H new ATOM 0 HG1 THR A 375 20.249 -2.736 14.854 1.00 0.00 H new ATOM 0 HG21 THR A 375 19.749 -4.922 17.646 1.00 0.00 H new ATOM 0 HG22 THR A 375 19.730 -3.543 18.771 1.00 0.00 H new ATOM 0 HG23 THR A 375 18.505 -3.659 17.485 1.00 0.00 H new ATOM 918 N THR A 376 18.215 -1.021 15.635 1.00 0.00 N ATOM 919 CA THR A 376 16.818 -0.762 15.429 1.00 0.00 C ATOM 920 C THR A 376 16.334 -1.577 14.244 1.00 0.00 C ATOM 921 O THR A 376 16.853 -1.473 13.128 1.00 0.00 O ATOM 922 CB THR A 376 16.541 0.739 15.189 1.00 0.00 C ATOM 923 OG1 THR A 376 17.195 1.188 14.003 1.00 0.00 O ATOM 924 CG2 THR A 376 17.045 1.565 16.349 1.00 0.00 C ATOM 0 H THR A 376 18.771 -1.018 14.780 1.00 0.00 H new ATOM 0 HA THR A 376 16.278 -1.051 16.331 1.00 0.00 H new ATOM 0 HB THR A 376 15.463 0.861 15.087 1.00 0.00 H new ATOM 0 HG1 THR A 376 16.555 1.669 13.438 1.00 0.00 H new ATOM 0 HG21 THR A 376 16.841 2.619 16.161 1.00 0.00 H new ATOM 0 HG22 THR A 376 16.539 1.255 17.263 1.00 0.00 H new ATOM 0 HG23 THR A 376 18.119 1.418 16.461 1.00 0.00 H new ATOM 932 N PHE A 377 15.372 -2.413 14.512 1.00 0.00 N ATOM 933 CA PHE A 377 14.781 -3.263 13.497 1.00 0.00 C ATOM 934 C PHE A 377 13.953 -2.440 12.515 1.00 0.00 C ATOM 935 O PHE A 377 13.038 -1.720 12.912 1.00 0.00 O ATOM 936 CB PHE A 377 13.911 -4.332 14.153 1.00 0.00 C ATOM 937 CG PHE A 377 13.693 -5.519 13.272 1.00 0.00 C ATOM 938 CD1 PHE A 377 14.732 -6.394 13.037 1.00 0.00 C ATOM 939 CD2 PHE A 377 12.465 -5.759 12.686 1.00 0.00 C ATOM 940 CE1 PHE A 377 14.556 -7.497 12.223 1.00 0.00 C ATOM 941 CE2 PHE A 377 12.276 -6.859 11.873 1.00 0.00 C ATOM 942 CZ PHE A 377 13.324 -7.732 11.641 1.00 0.00 C ATOM 0 H PHE A 377 14.968 -2.531 15.441 1.00 0.00 H new ATOM 0 HA PHE A 377 15.585 -3.748 12.943 1.00 0.00 H new ATOM 0 HB2 PHE A 377 14.379 -4.656 15.082 1.00 0.00 H new ATOM 0 HB3 PHE A 377 12.946 -3.898 14.416 1.00 0.00 H new ATOM 0 HD1 PHE A 377 15.694 -6.216 13.494 1.00 0.00 H new ATOM 0 HD2 PHE A 377 11.645 -5.080 12.866 1.00 0.00 H new ATOM 0 HE1 PHE A 377 15.378 -8.173 12.042 1.00 0.00 H new ATOM 0 HE2 PHE A 377 11.312 -7.037 11.419 1.00 0.00 H new ATOM 0 HZ PHE A 377 13.180 -8.595 11.007 1.00 0.00 H new ATOM 952 N SER A 378 14.287 -2.534 11.237 1.00 0.00 N ATOM 953 CA SER A 378 13.570 -1.804 10.210 1.00 0.00 C ATOM 954 C SER A 378 13.208 -2.744 9.071 1.00 0.00 C ATOM 955 O SER A 378 14.038 -3.538 8.641 1.00 0.00 O ATOM 956 CB SER A 378 14.438 -0.662 9.684 1.00 0.00 C ATOM 957 OG SER A 378 14.980 0.100 10.751 1.00 0.00 O ATOM 0 H SER A 378 15.053 -3.111 10.889 1.00 0.00 H new ATOM 0 HA SER A 378 12.657 -1.389 10.636 1.00 0.00 H new ATOM 0 HB2 SER A 378 15.246 -1.066 9.074 1.00 0.00 H new ATOM 0 HB3 SER A 378 13.843 -0.017 9.038 1.00 0.00 H new ATOM 0 HG SER A 378 15.533 0.823 10.389 1.00 0.00 H new ATOM 963 N VAL A 379 11.976 -2.684 8.597 1.00 0.00 N ATOM 964 CA VAL A 379 11.589 -3.494 7.453 1.00 0.00 C ATOM 965 C VAL A 379 11.098 -2.606 6.329 1.00 0.00 C ATOM 966 O VAL A 379 10.143 -1.846 6.485 1.00 0.00 O ATOM 967 CB VAL A 379 10.484 -4.511 7.768 1.00 0.00 C ATOM 968 CG1 VAL A 379 10.581 -5.711 6.831 1.00 0.00 C ATOM 969 CG2 VAL A 379 10.516 -4.942 9.229 1.00 0.00 C ATOM 0 H VAL A 379 11.237 -2.094 8.978 1.00 0.00 H new ATOM 0 HA VAL A 379 12.484 -4.047 7.166 1.00 0.00 H new ATOM 0 HB VAL A 379 9.523 -4.025 7.601 1.00 0.00 H new ATOM 0 HG11 VAL A 379 9.790 -6.423 7.068 1.00 0.00 H new ATOM 0 HG12 VAL A 379 10.471 -5.377 5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 379 11.551 -6.192 6.955 1.00 0.00 H new ATOM 0 HG21 VAL A 379 9.719 -5.662 9.413 1.00 0.00 H new ATOM 0 HG22 VAL A 379 11.479 -5.402 9.452 1.00 0.00 H new ATOM 0 HG23 VAL A 379 10.373 -4.071 9.869 1.00 0.00 H new ATOM 979 N ARG A 380 11.737 -2.735 5.195 1.00 0.00 N ATOM 980 CA ARG A 380 11.399 -1.936 4.028 1.00 0.00 C ATOM 981 C ARG A 380 10.746 -2.818 2.982 1.00 0.00 C ATOM 982 O ARG A 380 11.115 -3.984 2.821 1.00 0.00 O ATOM 983 CB ARG A 380 12.636 -1.250 3.435 1.00 0.00 C ATOM 984 CG ARG A 380 13.684 -2.219 2.911 1.00 0.00 C ATOM 985 CD ARG A 380 14.731 -1.516 2.060 1.00 0.00 C ATOM 986 NE ARG A 380 15.431 -0.462 2.792 1.00 0.00 N ATOM 987 CZ ARG A 380 16.683 -0.088 2.542 1.00 0.00 C ATOM 988 NH1 ARG A 380 17.381 -0.688 1.583 1.00 0.00 N ATOM 989 NH2 ARG A 380 17.241 0.882 3.255 1.00 0.00 N ATOM 0 H ARG A 380 12.504 -3.391 5.047 1.00 0.00 H new ATOM 0 HA ARG A 380 10.705 -1.156 4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 380 12.322 -0.595 2.622 1.00 0.00 H new ATOM 0 HB3 ARG A 380 13.089 -0.617 4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 380 14.172 -2.715 3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 380 13.198 -2.995 2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 380 15.455 -2.248 1.702 1.00 0.00 H new ATOM 0 HD3 ARG A 380 14.251 -1.086 1.181 1.00 0.00 H new ATOM 0 HE ARG A 380 14.929 0.016 3.540 1.00 0.00 H new ATOM 0 HH11 ARG A 380 16.957 -1.437 1.036 1.00 0.00 H new ATOM 0 HH12 ARG A 380 18.341 -0.399 1.394 1.00 0.00 H new ATOM 0 HH21 ARG A 380 16.710 1.341 3.995 1.00 0.00 H new ATOM 0 HH22 ARG A 380 18.201 1.168 3.063 1.00 0.00 H new ATOM 1003 N LYS A 381 9.767 -2.275 2.284 1.00 0.00 N ATOM 1004 CA LYS A 381 9.075 -3.028 1.257 1.00 0.00 C ATOM 1005 C LYS A 381 9.163 -2.319 -0.086 1.00 0.00 C ATOM 1006 O LYS A 381 8.642 -1.214 -0.260 1.00 0.00 O ATOM 1007 CB LYS A 381 7.606 -3.266 1.635 1.00 0.00 C ATOM 1008 CG LYS A 381 7.386 -4.411 2.623 1.00 0.00 C ATOM 1009 CD LYS A 381 7.799 -4.064 4.047 1.00 0.00 C ATOM 1010 CE LYS A 381 6.946 -2.952 4.640 1.00 0.00 C ATOM 1011 NZ LYS A 381 7.307 -2.661 6.054 1.00 0.00 N ATOM 0 H LYS A 381 9.434 -1.319 2.409 1.00 0.00 H new ATOM 0 HA LYS A 381 9.567 -3.997 1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 381 7.201 -2.349 2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 381 7.039 -3.471 0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 381 6.333 -4.691 2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 381 7.950 -5.282 2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 381 7.720 -4.953 4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 381 8.846 -3.760 4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 381 7.064 -2.048 4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 381 5.895 -3.234 4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 6.724 -1.875 6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 7.138 -3.506 6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 8.312 -2.399 6.109 1.00 0.00 H new ATOM 1025 N THR A 382 9.837 -2.962 -1.020 1.00 0.00 N ATOM 1026 CA THR A 382 9.983 -2.447 -2.366 1.00 0.00 C ATOM 1027 C THR A 382 9.150 -3.290 -3.325 1.00 0.00 C ATOM 1028 O THR A 382 9.453 -4.459 -3.561 1.00 0.00 O ATOM 1029 CB THR A 382 11.458 -2.474 -2.811 1.00 0.00 C ATOM 1030 OG1 THR A 382 12.278 -1.768 -1.870 1.00 0.00 O ATOM 1031 CG2 THR A 382 11.612 -1.856 -4.190 1.00 0.00 C ATOM 0 H THR A 382 10.299 -3.858 -0.866 1.00 0.00 H new ATOM 0 HA THR A 382 9.637 -1.413 -2.379 1.00 0.00 H new ATOM 0 HB THR A 382 11.780 -3.514 -2.853 1.00 0.00 H new ATOM 0 HG1 THR A 382 13.212 -1.795 -2.165 1.00 0.00 H new ATOM 0 HG21 THR A 382 12.661 -1.884 -4.486 1.00 0.00 H new ATOM 0 HG22 THR A 382 11.016 -2.418 -4.909 1.00 0.00 H new ATOM 0 HG23 THR A 382 11.270 -0.821 -4.165 1.00 0.00 H new ATOM 1039 N ALA A 383 8.091 -2.715 -3.862 1.00 0.00 N ATOM 1040 CA ALA A 383 7.193 -3.464 -4.720 1.00 0.00 C ATOM 1041 C ALA A 383 7.314 -3.030 -6.170 1.00 0.00 C ATOM 1042 O ALA A 383 7.714 -1.902 -6.470 1.00 0.00 O ATOM 1043 CB ALA A 383 5.756 -3.318 -4.244 1.00 0.00 C ATOM 0 H ALA A 383 7.832 -1.738 -3.721 1.00 0.00 H new ATOM 0 HA ALA A 383 7.481 -4.514 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.096 -3.886 -4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 383 5.670 -3.696 -3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 383 5.471 -2.266 -4.266 1.00 0.00 H new ATOM 1049 N TYR A 384 6.986 -3.943 -7.065 1.00 0.00 N ATOM 1050 CA TYR A 384 6.925 -3.646 -8.480 1.00 0.00 C ATOM 1051 C TYR A 384 5.610 -4.182 -9.023 1.00 0.00 C ATOM 1052 O TYR A 384 5.158 -5.248 -8.608 1.00 0.00 O ATOM 1053 CB TYR A 384 8.119 -4.257 -9.230 1.00 0.00 C ATOM 1054 CG TYR A 384 9.470 -3.862 -8.660 1.00 0.00 C ATOM 1055 CD1 TYR A 384 10.077 -2.648 -8.987 1.00 0.00 C ATOM 1056 CD2 TYR A 384 10.137 -4.708 -7.781 1.00 0.00 C ATOM 1057 CE1 TYR A 384 11.302 -2.305 -8.455 1.00 0.00 C ATOM 1058 CE2 TYR A 384 11.361 -4.363 -7.246 1.00 0.00 C ATOM 1059 CZ TYR A 384 11.939 -3.160 -7.588 1.00 0.00 C ATOM 1060 OH TYR A 384 13.156 -2.806 -7.055 1.00 0.00 O ATOM 0 H TYR A 384 6.755 -4.908 -6.830 1.00 0.00 H new ATOM 0 HA TYR A 384 6.977 -2.568 -8.630 1.00 0.00 H new ATOM 0 HB2 TYR A 384 8.031 -5.343 -9.210 1.00 0.00 H new ATOM 0 HB3 TYR A 384 8.073 -3.952 -10.276 1.00 0.00 H new ATOM 0 HD1 TYR A 384 9.581 -1.969 -9.665 1.00 0.00 H new ATOM 0 HD2 TYR A 384 9.689 -5.653 -7.512 1.00 0.00 H new ATOM 0 HE1 TYR A 384 11.761 -1.364 -8.720 1.00 0.00 H new ATOM 0 HE2 TYR A 384 11.863 -5.032 -6.563 1.00 0.00 H new ATOM 0 HH TYR A 384 13.132 -1.865 -6.782 1.00 0.00 H new ATOM 1070 N CYS A 385 4.988 -3.434 -9.925 1.00 0.00 N ATOM 1071 CA CYS A 385 3.660 -3.793 -10.427 1.00 0.00 C ATOM 1072 C CYS A 385 3.680 -5.130 -11.165 1.00 0.00 C ATOM 1073 O CYS A 385 4.719 -5.563 -11.656 1.00 0.00 O ATOM 1074 CB CYS A 385 3.094 -2.685 -11.333 1.00 0.00 C ATOM 1075 SG CYS A 385 4.143 -2.217 -12.736 1.00 0.00 S ATOM 0 H CYS A 385 5.375 -2.579 -10.325 1.00 0.00 H new ATOM 0 HA CYS A 385 3.005 -3.899 -9.562 1.00 0.00 H new ATOM 0 HB2 CYS A 385 2.127 -3.011 -11.717 1.00 0.00 H new ATOM 0 HB3 CYS A 385 2.913 -1.799 -10.725 1.00 0.00 H new ATOM 0 HG CYS A 385 5.223 -1.641 -12.297 1.00 0.00 H new ATOM 1080 N ASP A 386 2.512 -5.773 -11.221 1.00 0.00 N ATOM 1081 CA ASP A 386 2.353 -7.110 -11.820 1.00 0.00 C ATOM 1082 C ASP A 386 3.081 -7.266 -13.160 1.00 0.00 C ATOM 1083 O ASP A 386 3.816 -8.233 -13.364 1.00 0.00 O ATOM 1084 CB ASP A 386 0.862 -7.408 -12.010 1.00 0.00 C ATOM 1085 CG ASP A 386 0.608 -8.656 -12.843 1.00 0.00 C ATOM 1086 OD1 ASP A 386 1.020 -9.755 -12.423 1.00 0.00 O ATOM 1087 OD2 ASP A 386 -0.007 -8.540 -13.919 1.00 0.00 O ATOM 0 H ASP A 386 1.644 -5.384 -10.852 1.00 0.00 H new ATOM 0 HA ASP A 386 2.808 -7.822 -11.131 1.00 0.00 H new ATOM 0 HB2 ASP A 386 0.393 -7.528 -11.033 1.00 0.00 H new ATOM 0 HB3 ASP A 386 0.384 -6.554 -12.490 1.00 0.00 H new ATOM 1092 N VAL A 387 2.913 -6.304 -14.056 1.00 0.00 N ATOM 1093 CA VAL A 387 3.495 -6.409 -15.390 1.00 0.00 C ATOM 1094 C VAL A 387 4.947 -5.946 -15.425 1.00 0.00 C ATOM 1095 O VAL A 387 5.504 -5.714 -16.494 1.00 0.00 O ATOM 1096 CB VAL A 387 2.698 -5.601 -16.429 1.00 0.00 C ATOM 1097 CG1 VAL A 387 1.311 -6.195 -16.620 1.00 0.00 C ATOM 1098 CG2 VAL A 387 2.601 -4.137 -16.021 1.00 0.00 C ATOM 0 H VAL A 387 2.384 -5.448 -13.888 1.00 0.00 H new ATOM 0 HA VAL A 387 3.453 -7.468 -15.644 1.00 0.00 H new ATOM 0 HB VAL A 387 3.230 -5.654 -17.379 1.00 0.00 H new ATOM 0 HG11 VAL A 387 0.763 -5.610 -17.358 1.00 0.00 H new ATOM 0 HG12 VAL A 387 1.401 -7.224 -16.967 1.00 0.00 H new ATOM 0 HG13 VAL A 387 0.774 -6.177 -15.672 1.00 0.00 H new ATOM 0 HG21 VAL A 387 2.033 -3.587 -16.771 1.00 0.00 H new ATOM 0 HG22 VAL A 387 2.098 -4.060 -15.057 1.00 0.00 H new ATOM 0 HG23 VAL A 387 3.603 -3.714 -15.942 1.00 0.00 H new ATOM 1108 N HIS A 388 5.570 -5.828 -14.263 1.00 0.00 N ATOM 1109 CA HIS A 388 6.951 -5.384 -14.202 1.00 0.00 C ATOM 1110 C HIS A 388 7.892 -6.581 -14.190 1.00 0.00 C ATOM 1111 O HIS A 388 9.106 -6.429 -14.084 1.00 0.00 O ATOM 1112 CB HIS A 388 7.184 -4.510 -12.967 1.00 0.00 C ATOM 1113 CG HIS A 388 8.258 -3.487 -13.157 1.00 0.00 C ATOM 1114 ND1 HIS A 388 8.025 -2.128 -13.068 1.00 0.00 N ATOM 1115 CD2 HIS A 388 9.570 -3.622 -13.457 1.00 0.00 C ATOM 1116 CE1 HIS A 388 9.156 -1.482 -13.312 1.00 0.00 C ATOM 1117 NE2 HIS A 388 10.105 -2.364 -13.552 1.00 0.00 N ATOM 0 H HIS A 388 5.145 -6.032 -13.358 1.00 0.00 H new ATOM 0 HA HIS A 388 7.159 -4.786 -15.089 1.00 0.00 H new ATOM 0 HB2 HIS A 388 6.253 -4.005 -12.708 1.00 0.00 H new ATOM 0 HB3 HIS A 388 7.446 -5.149 -12.123 1.00 0.00 H new ATOM 0 HD1 HIS A 388 7.129 -1.693 -12.850 1.00 0.00 H new ATOM 0 HD2 HIS A 388 10.100 -4.553 -13.596 1.00 0.00 H new ATOM 0 HE1 HIS A 388 9.280 -0.409 -13.314 1.00 0.00 H new ATOM 1125 N THR A 389 7.332 -7.772 -14.305 1.00 0.00 N ATOM 1126 CA THR A 389 8.139 -8.978 -14.318 1.00 0.00 C ATOM 1127 C THR A 389 8.656 -9.307 -15.729 1.00 0.00 C ATOM 1128 O THR A 389 9.865 -9.451 -15.913 1.00 0.00 O ATOM 1129 CB THR A 389 7.370 -10.180 -13.731 1.00 0.00 C ATOM 1130 OG1 THR A 389 6.814 -9.818 -12.459 1.00 0.00 O ATOM 1131 CG2 THR A 389 8.290 -11.378 -13.559 1.00 0.00 C ATOM 0 H THR A 389 6.328 -7.929 -14.390 1.00 0.00 H new ATOM 0 HA THR A 389 9.003 -8.783 -13.683 1.00 0.00 H new ATOM 0 HB THR A 389 6.572 -10.451 -14.422 1.00 0.00 H new ATOM 0 HG1 THR A 389 6.324 -10.581 -12.087 1.00 0.00 H new ATOM 0 HG21 THR A 389 7.726 -12.213 -13.144 1.00 0.00 H new ATOM 0 HG22 THR A 389 8.701 -11.663 -14.527 1.00 0.00 H new ATOM 0 HG23 THR A 389 9.104 -11.118 -12.882 1.00 0.00 H new ATOM 1139 N PRO A 390 7.775 -9.424 -16.757 1.00 0.00 N ATOM 1140 CA PRO A 390 8.180 -9.824 -18.099 1.00 0.00 C ATOM 1141 C PRO A 390 8.107 -8.735 -19.207 1.00 0.00 C ATOM 1142 O PRO A 390 7.783 -9.075 -20.348 1.00 0.00 O ATOM 1143 CB PRO A 390 7.120 -10.890 -18.374 1.00 0.00 C ATOM 1144 CG PRO A 390 5.883 -10.404 -17.657 1.00 0.00 C ATOM 1145 CD PRO A 390 6.317 -9.290 -16.724 1.00 0.00 C ATOM 0 HA PRO A 390 9.231 -10.110 -18.128 1.00 0.00 H new ATOM 0 HB2 PRO A 390 6.939 -11.000 -19.443 1.00 0.00 H new ATOM 0 HB3 PRO A 390 7.435 -11.865 -18.002 1.00 0.00 H new ATOM 0 HG2 PRO A 390 5.142 -10.043 -18.370 1.00 0.00 H new ATOM 0 HG3 PRO A 390 5.418 -11.216 -17.098 1.00 0.00 H new ATOM 0 HD2 PRO A 390 5.988 -8.312 -17.074 1.00 0.00 H new ATOM 0 HD3 PRO A 390 5.917 -9.420 -15.718 1.00 0.00 H new