USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 496 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 342 HIS : no HD1:sc= 0.512 K(o=1.8,f=-6.4!) USER MOD Set 1.2: A 384 TYR OH : rot 64:sc= 1.27 USER MOD Set 2.1: A 353 THR OG1 : rot 180:sc= 0.992 USER MOD Set 2.2: A 357 LYS NZ :NH3+ 178:sc= 1.01 (180deg=-0.111) USER MOD Set 3.1: A 341 CYS SG : rot 108:sc= 1.78 USER MOD Set 3.2: A 346 CYS SG : rot -57:sc= -0.941 USER MOD Set 3.3: A 348 THR OG1 : rot 78:sc= 2.06 USER MOD Set 3.4: A 385 CYS SG : rot -110:sc= -5.55! USER MOD Set 3.5: A 388 HIS : no HE2:sc= -1.11 K(o=-3.8,f=-15!) USER MOD Set 4.1: A 333 LYS NZ :NH3+ -174:sc= 1.01 (180deg=0.167) USER MOD Set 4.2: A 338 SER OG : rot 69:sc= 0.73 USER MOD Set 5.1: A 327 CYS SG : rot -167:sc= -1.36 USER MOD Set 5.2: A 330 CYS SG : rot -70:sc= -2.04! USER MOD Set 5.3: A 351 HIS : no HE2:sc= -2.41 K(o=-9,f=-20!) USER MOD Set 5.4: A 354 CYS SG : rot -133:sc= -3.15! USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD Single : A 328 TYR OH : rot -140:sc= -0.237 USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 GLN : amide:sc= -0.981 K(o=-0.98,f=0) USER MOD Single : A 340 GLN : amide:sc= -3.13! K(o=-3.1!,f=-2.3) USER MOD Single : A 343 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 345 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 347 TYR OH : rot 165:sc= 0 USER MOD Single : A 356 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 361 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 MET CE :methyl -159:sc= 0 (180deg=-0.499) USER MOD Single : A 363 LYS NZ :NH3+ -156:sc= 1.27 (180deg=1.11) USER MOD Single : A 364 MET CE :methyl -153:sc= 0 (180deg=-0.421) USER MOD Single : A 368 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0532) USER MOD Single : A 371 THR OG1 : rot 43:sc= 0.0619 USER MOD Single : A 375 THR OG1 : rot 180:sc= 0.00188 USER MOD Single : A 376 THR OG1 : rot 180:sc= -2.21! USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ -163:sc= -0.0306 (180deg=-0.261) USER MOD Single : A 382 THR OG1 : rot 180:sc= 0 USER MOD Single : A 389 THR OG1 : rot 27:sc= 0.244 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 325 -1.635 9.358 -6.340 1.00 0.00 N ATOM 160 CA LEU A 325 -1.066 8.121 -6.851 1.00 0.00 C ATOM 161 C LEU A 325 -2.172 7.086 -7.004 1.00 0.00 C ATOM 162 O LEU A 325 -2.500 6.371 -6.053 1.00 0.00 O ATOM 163 CB LEU A 325 0.038 7.576 -5.927 1.00 0.00 C ATOM 164 CG LEU A 325 1.284 8.463 -5.760 1.00 0.00 C ATOM 165 CD1 LEU A 325 1.741 9.015 -7.101 1.00 0.00 C ATOM 166 CD2 LEU A 325 1.027 9.589 -4.768 1.00 0.00 C ATOM 0 HA LEU A 325 -0.610 8.329 -7.819 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -0.394 7.404 -4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 325 0.357 6.606 -6.309 1.00 0.00 H new ATOM 0 HG LEU A 325 2.085 7.842 -5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 325 2.623 9.639 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 325 1.986 8.190 -7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 325 0.942 9.613 -7.540 1.00 0.00 H new ATOM 0 HD21 LEU A 325 1.925 10.200 -4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 325 0.204 10.208 -5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 325 0.768 9.167 -3.797 1.00 0.00 H new ATOM 178 N THR A 326 -2.770 7.049 -8.187 1.00 0.00 N ATOM 179 CA THR A 326 -3.896 6.175 -8.457 1.00 0.00 C ATOM 180 C THR A 326 -3.450 4.730 -8.639 1.00 0.00 C ATOM 181 O THR A 326 -2.492 4.442 -9.357 1.00 0.00 O ATOM 182 CB THR A 326 -4.658 6.634 -9.712 1.00 0.00 C ATOM 183 OG1 THR A 326 -4.920 8.041 -9.626 1.00 0.00 O ATOM 184 CG2 THR A 326 -5.975 5.882 -9.864 1.00 0.00 C ATOM 0 H THR A 326 -2.487 7.623 -8.982 1.00 0.00 H new ATOM 0 HA THR A 326 -4.558 6.230 -7.593 1.00 0.00 H new ATOM 0 HB THR A 326 -4.039 6.421 -10.583 1.00 0.00 H new ATOM 0 HG1 THR A 326 -5.404 8.333 -10.427 1.00 0.00 H new ATOM 0 HG21 THR A 326 -6.490 6.228 -10.760 1.00 0.00 H new ATOM 0 HG22 THR A 326 -5.776 4.814 -9.950 1.00 0.00 H new ATOM 0 HG23 THR A 326 -6.602 6.065 -8.991 1.00 0.00 H new ATOM 192 N CYS A 327 -4.157 3.835 -7.974 1.00 0.00 N ATOM 193 CA CYS A 327 -3.897 2.412 -8.078 1.00 0.00 C ATOM 194 C CYS A 327 -4.621 1.836 -9.282 1.00 0.00 C ATOM 195 O CYS A 327 -5.849 1.702 -9.265 1.00 0.00 O ATOM 196 CB CYS A 327 -4.355 1.700 -6.801 1.00 0.00 C ATOM 197 SG CYS A 327 -4.479 -0.106 -6.937 1.00 0.00 S ATOM 0 H CYS A 327 -4.926 4.074 -7.348 1.00 0.00 H new ATOM 0 HA CYS A 327 -2.825 2.258 -8.204 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -3.660 1.943 -5.998 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -5.328 2.096 -6.511 1.00 0.00 H new ATOM 0 HG CYS A 327 -5.132 -0.574 -5.915 1.00 0.00 H new ATOM 202 N TYR A 328 -3.864 1.491 -10.320 1.00 0.00 N ATOM 203 CA TYR A 328 -4.446 0.957 -11.549 1.00 0.00 C ATOM 204 C TYR A 328 -5.206 -0.336 -11.260 1.00 0.00 C ATOM 205 O TYR A 328 -6.210 -0.637 -11.901 1.00 0.00 O ATOM 206 CB TYR A 328 -3.364 0.715 -12.610 1.00 0.00 C ATOM 207 CG TYR A 328 -2.395 -0.400 -12.270 1.00 0.00 C ATOM 208 CD1 TYR A 328 -1.313 -0.181 -11.425 1.00 0.00 C ATOM 209 CD2 TYR A 328 -2.564 -1.673 -12.799 1.00 0.00 C ATOM 210 CE1 TYR A 328 -0.430 -1.199 -11.120 1.00 0.00 C ATOM 211 CE2 TYR A 328 -1.685 -2.694 -12.498 1.00 0.00 C ATOM 212 CZ TYR A 328 -0.620 -2.453 -11.659 1.00 0.00 C ATOM 213 OH TYR A 328 0.254 -3.472 -11.359 1.00 0.00 O ATOM 0 H TYR A 328 -2.847 1.571 -10.335 1.00 0.00 H new ATOM 0 HA TYR A 328 -5.146 1.695 -11.941 1.00 0.00 H new ATOM 0 HB2 TYR A 328 -3.848 0.483 -13.559 1.00 0.00 H new ATOM 0 HB3 TYR A 328 -2.802 1.637 -12.756 1.00 0.00 H new ATOM 0 HD1 TYR A 328 -1.160 0.800 -11.000 1.00 0.00 H new ATOM 0 HD2 TYR A 328 -3.398 -1.868 -13.457 1.00 0.00 H new ATOM 0 HE1 TYR A 328 0.406 -1.013 -10.462 1.00 0.00 H new ATOM 0 HE2 TYR A 328 -1.832 -3.678 -12.919 1.00 0.00 H new ATOM 0 HH TYR A 328 0.423 -4.006 -12.163 1.00 0.00 H new ATOM 223 N LEU A 329 -4.729 -1.082 -10.269 1.00 0.00 N ATOM 224 CA LEU A 329 -5.386 -2.309 -9.852 1.00 0.00 C ATOM 225 C LEU A 329 -6.611 -1.972 -8.999 1.00 0.00 C ATOM 226 O LEU A 329 -6.526 -1.948 -7.752 1.00 0.00 O ATOM 227 CB LEU A 329 -4.403 -3.199 -9.085 1.00 0.00 C ATOM 228 CG LEU A 329 -4.349 -4.661 -9.542 1.00 0.00 C ATOM 229 CD1 LEU A 329 -3.180 -5.382 -8.888 1.00 0.00 C ATOM 230 CD2 LEU A 329 -5.654 -5.375 -9.227 1.00 0.00 C ATOM 0 H LEU A 329 -3.887 -0.855 -9.740 1.00 0.00 H new ATOM 0 HA LEU A 329 -5.720 -2.860 -10.731 1.00 0.00 H new ATOM 0 HB2 LEU A 329 -3.405 -2.771 -9.174 1.00 0.00 H new ATOM 0 HB3 LEU A 329 -4.666 -3.176 -8.028 1.00 0.00 H new ATOM 0 HG LEU A 329 -4.205 -4.673 -10.622 1.00 0.00 H new ATOM 0 HD11 LEU A 329 -3.158 -6.419 -9.224 1.00 0.00 H new ATOM 0 HD12 LEU A 329 -2.248 -4.890 -9.166 1.00 0.00 H new ATOM 0 HD13 LEU A 329 -3.296 -5.355 -7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 329 -5.592 -6.411 -9.561 1.00 0.00 H new ATOM 0 HD22 LEU A 329 -5.832 -5.350 -8.152 1.00 0.00 H new ATOM 0 HD23 LEU A 329 -6.475 -4.877 -9.742 1.00 0.00 H new ATOM 242 N CYS A 330 -7.693 -1.626 -9.718 1.00 0.00 N ATOM 243 CA CYS A 330 -9.032 -1.262 -9.199 1.00 0.00 C ATOM 244 C CYS A 330 -9.471 0.060 -9.831 1.00 0.00 C ATOM 245 O CYS A 330 -10.662 0.285 -10.056 1.00 0.00 O ATOM 246 CB CYS A 330 -9.123 -1.159 -7.663 1.00 0.00 C ATOM 247 SG CYS A 330 -8.066 0.106 -6.906 1.00 0.00 S ATOM 0 H CYS A 330 -7.659 -1.589 -10.737 1.00 0.00 H new ATOM 0 HA CYS A 330 -9.697 -2.080 -9.476 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -10.158 -0.955 -7.390 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -8.866 -2.128 -7.235 1.00 0.00 H new ATOM 0 HG CYS A 330 -6.820 -0.251 -7.009 1.00 0.00 H new ATOM 252 N LYS A 331 -8.483 0.924 -10.101 1.00 0.00 N ATOM 253 CA LYS A 331 -8.689 2.215 -10.753 1.00 0.00 C ATOM 254 C LYS A 331 -9.368 3.160 -9.776 1.00 0.00 C ATOM 255 O LYS A 331 -10.129 4.048 -10.154 1.00 0.00 O ATOM 256 CB LYS A 331 -9.502 2.072 -12.051 1.00 0.00 C ATOM 257 CG LYS A 331 -9.428 3.298 -12.953 1.00 0.00 C ATOM 258 CD LYS A 331 -10.274 3.145 -14.208 1.00 0.00 C ATOM 259 CE LYS A 331 -11.755 3.065 -13.881 1.00 0.00 C ATOM 260 NZ LYS A 331 -12.596 3.108 -15.105 1.00 0.00 N ATOM 0 H LYS A 331 -7.507 0.739 -9.868 1.00 0.00 H new ATOM 0 HA LYS A 331 -7.721 2.627 -11.038 1.00 0.00 H new ATOM 0 HB2 LYS A 331 -9.142 1.203 -12.602 1.00 0.00 H new ATOM 0 HB3 LYS A 331 -10.545 1.879 -11.798 1.00 0.00 H new ATOM 0 HG2 LYS A 331 -9.761 4.175 -12.398 1.00 0.00 H new ATOM 0 HG3 LYS A 331 -8.391 3.475 -13.237 1.00 0.00 H new ATOM 0 HD2 LYS A 331 -10.093 3.989 -14.874 1.00 0.00 H new ATOM 0 HD3 LYS A 331 -9.971 2.246 -14.744 1.00 0.00 H new ATOM 0 HE2 LYS A 331 -11.957 2.144 -13.334 1.00 0.00 H new ATOM 0 HE3 LYS A 331 -12.027 3.892 -13.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 -13.600 3.051 -14.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 -12.423 3.998 -15.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 -12.355 2.305 -15.720 1.00 0.00 H new ATOM 274 N GLN A 332 -9.052 2.970 -8.504 1.00 0.00 N ATOM 275 CA GLN A 332 -9.673 3.732 -7.451 1.00 0.00 C ATOM 276 C GLN A 332 -8.629 4.241 -6.472 1.00 0.00 C ATOM 277 O GLN A 332 -7.955 3.458 -5.798 1.00 0.00 O ATOM 278 CB GLN A 332 -10.703 2.884 -6.701 1.00 0.00 C ATOM 279 CG GLN A 332 -11.835 2.377 -7.578 1.00 0.00 C ATOM 280 CD GLN A 332 -12.849 1.543 -6.817 1.00 0.00 C ATOM 281 OE1 GLN A 332 -14.032 1.525 -7.157 1.00 0.00 O ATOM 282 NE2 GLN A 332 -12.399 0.843 -5.788 1.00 0.00 N ATOM 0 H GLN A 332 -8.364 2.289 -8.183 1.00 0.00 H new ATOM 0 HA GLN A 332 -10.179 4.582 -7.909 1.00 0.00 H new ATOM 0 HB2 GLN A 332 -10.197 2.031 -6.248 1.00 0.00 H new ATOM 0 HB3 GLN A 332 -11.123 3.475 -5.887 1.00 0.00 H new ATOM 0 HG2 GLN A 332 -12.342 3.227 -8.035 1.00 0.00 H new ATOM 0 HG3 GLN A 332 -11.419 1.781 -8.390 1.00 0.00 H new ATOM 0 HE21 GLN A 332 -11.411 0.883 -5.537 1.00 0.00 H new ATOM 0 HE22 GLN A 332 -13.040 0.263 -5.246 1.00 0.00 H new ATOM 291 N LYS A 333 -8.478 5.549 -6.418 1.00 0.00 N ATOM 292 CA LYS A 333 -7.624 6.171 -5.419 1.00 0.00 C ATOM 293 C LYS A 333 -8.366 6.268 -4.090 1.00 0.00 C ATOM 294 O LYS A 333 -9.247 7.108 -3.914 1.00 0.00 O ATOM 295 CB LYS A 333 -7.162 7.559 -5.876 1.00 0.00 C ATOM 296 CG LYS A 333 -6.277 8.273 -4.862 1.00 0.00 C ATOM 297 CD LYS A 333 -5.040 7.453 -4.523 1.00 0.00 C ATOM 298 CE LYS A 333 -4.168 8.148 -3.489 1.00 0.00 C ATOM 299 NZ LYS A 333 -2.938 7.369 -3.195 1.00 0.00 N ATOM 0 H LYS A 333 -8.934 6.204 -7.053 1.00 0.00 H new ATOM 0 HA LYS A 333 -6.738 5.550 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 333 -6.617 7.460 -6.815 1.00 0.00 H new ATOM 0 HB3 LYS A 333 -8.038 8.175 -6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 333 -5.974 9.241 -5.260 1.00 0.00 H new ATOM 0 HG3 LYS A 333 -6.847 8.466 -3.953 1.00 0.00 H new ATOM 0 HD2 LYS A 333 -5.343 6.477 -4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 333 -4.460 7.278 -5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 333 -3.893 9.139 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 333 -4.737 8.291 -2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 333 -2.419 7.820 -2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 333 -3.198 6.399 -2.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 333 -2.334 7.341 -4.041 1.00 0.00 H new ATOM 313 N GLY A 334 -8.014 5.384 -3.170 1.00 0.00 N ATOM 314 CA GLY A 334 -8.664 5.348 -1.880 1.00 0.00 C ATOM 315 C GLY A 334 -8.753 3.935 -1.352 1.00 0.00 C ATOM 316 O GLY A 334 -7.863 3.128 -1.631 1.00 0.00 O ATOM 0 H GLY A 334 -7.282 4.685 -3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 334 -8.112 5.969 -1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 334 -9.665 5.772 -1.962 1.00 0.00 H new ATOM 320 N VAL A 335 -9.830 3.659 -0.607 1.00 0.00 N ATOM 321 CA VAL A 335 -10.152 2.344 0.000 1.00 0.00 C ATOM 322 C VAL A 335 -9.100 1.848 1.008 1.00 0.00 C ATOM 323 O VAL A 335 -9.454 1.277 2.040 1.00 0.00 O ATOM 324 CB VAL A 335 -10.472 1.226 -1.040 1.00 0.00 C ATOM 325 CG1 VAL A 335 -11.400 1.744 -2.128 1.00 0.00 C ATOM 326 CG2 VAL A 335 -9.225 0.599 -1.649 1.00 0.00 C ATOM 0 H VAL A 335 -10.534 4.367 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 335 -11.069 2.545 0.555 1.00 0.00 H new ATOM 0 HB VAL A 335 -10.980 0.434 -0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -11.607 0.945 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -12.334 2.082 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -10.924 2.577 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 335 -9.517 -0.171 -2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 335 -8.644 1.367 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 335 -8.621 0.151 -0.860 1.00 0.00 H new ATOM 336 N GLY A 336 -7.826 2.057 0.720 1.00 0.00 N ATOM 337 CA GLY A 336 -6.778 1.635 1.624 1.00 0.00 C ATOM 338 C GLY A 336 -5.522 2.467 1.465 1.00 0.00 C ATOM 339 O GLY A 336 -5.567 3.698 1.521 1.00 0.00 O ATOM 0 H GLY A 336 -7.497 2.515 -0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -7.134 1.709 2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -6.543 0.586 1.443 1.00 0.00 H new ATOM 343 N ALA A 337 -4.405 1.798 1.228 1.00 0.00 N ATOM 344 CA ALA A 337 -3.125 2.470 1.114 1.00 0.00 C ATOM 345 C ALA A 337 -2.522 2.201 -0.250 1.00 0.00 C ATOM 346 O ALA A 337 -2.762 1.149 -0.848 1.00 0.00 O ATOM 347 CB ALA A 337 -2.181 2.014 2.216 1.00 0.00 C ATOM 0 H ALA A 337 -4.361 0.786 1.111 1.00 0.00 H new ATOM 0 HA ALA A 337 -3.280 3.543 1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 337 -1.226 2.529 2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 337 -2.617 2.247 3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 337 -2.023 0.938 2.138 1.00 0.00 H new ATOM 353 N SER A 338 -1.756 3.147 -0.754 1.00 0.00 N ATOM 354 CA SER A 338 -1.172 2.999 -2.069 1.00 0.00 C ATOM 355 C SER A 338 0.350 2.915 -1.977 1.00 0.00 C ATOM 356 O SER A 338 1.003 3.804 -1.427 1.00 0.00 O ATOM 357 CB SER A 338 -1.606 4.158 -2.966 1.00 0.00 C ATOM 358 OG SER A 338 -2.931 4.575 -2.656 1.00 0.00 O ATOM 0 H SER A 338 -1.525 4.019 -0.277 1.00 0.00 H new ATOM 0 HA SER A 338 -1.529 2.069 -2.511 1.00 0.00 H new ATOM 0 HB2 SER A 338 -0.919 4.995 -2.842 1.00 0.00 H new ATOM 0 HB3 SER A 338 -1.552 3.853 -4.011 1.00 0.00 H new ATOM 0 HG SER A 338 -2.942 5.000 -1.773 1.00 0.00 H new ATOM 364 N ILE A 339 0.894 1.832 -2.506 1.00 0.00 N ATOM 365 CA ILE A 339 2.324 1.595 -2.506 1.00 0.00 C ATOM 366 C ILE A 339 2.878 1.855 -3.903 1.00 0.00 C ATOM 367 O ILE A 339 2.144 1.783 -4.892 1.00 0.00 O ATOM 368 CB ILE A 339 2.646 0.146 -2.059 1.00 0.00 C ATOM 369 CG1 ILE A 339 4.159 -0.068 -1.927 1.00 0.00 C ATOM 370 CG2 ILE A 339 2.042 -0.863 -3.030 1.00 0.00 C ATOM 371 CD1 ILE A 339 4.535 -1.453 -1.441 1.00 0.00 C ATOM 0 H ILE A 339 0.352 1.090 -2.949 1.00 0.00 H new ATOM 0 HA ILE A 339 2.794 2.275 -1.796 1.00 0.00 H new ATOM 0 HB ILE A 339 2.198 -0.010 -1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 339 4.628 0.108 -2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 339 4.564 0.672 -1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 339 2.279 -1.874 -2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 339 0.960 -0.736 -3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 339 2.455 -0.701 -4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 339 5.620 -1.532 -1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 339 4.095 -1.626 -0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 339 4.161 -2.199 -2.142 1.00 0.00 H new ATOM 383 N GLN A 340 4.158 2.174 -3.984 1.00 0.00 N ATOM 384 CA GLN A 340 4.785 2.494 -5.243 1.00 0.00 C ATOM 385 C GLN A 340 5.714 1.384 -5.688 1.00 0.00 C ATOM 386 O GLN A 340 6.558 0.911 -4.927 1.00 0.00 O ATOM 387 CB GLN A 340 5.560 3.802 -5.136 1.00 0.00 C ATOM 388 CG GLN A 340 4.733 5.033 -5.447 1.00 0.00 C ATOM 389 CD GLN A 340 4.278 5.075 -6.865 1.00 0.00 C ATOM 390 OE1 GLN A 340 4.850 4.444 -7.751 1.00 0.00 O ATOM 391 NE2 GLN A 340 3.302 5.899 -7.098 1.00 0.00 N ATOM 0 H GLN A 340 4.784 2.217 -3.180 1.00 0.00 H new ATOM 0 HA GLN A 340 3.997 2.605 -5.988 1.00 0.00 H new ATOM 0 HB2 GLN A 340 5.963 3.893 -4.127 1.00 0.00 H new ATOM 0 HB3 GLN A 340 6.410 3.766 -5.817 1.00 0.00 H new ATOM 0 HG2 GLN A 340 3.864 5.058 -4.790 1.00 0.00 H new ATOM 0 HG3 GLN A 340 5.321 5.925 -5.232 1.00 0.00 H new ATOM 0 HE21 GLN A 340 2.861 6.398 -6.326 1.00 0.00 H new ATOM 0 HE22 GLN A 340 2.976 6.047 -8.053 1.00 0.00 H new ATOM 400 N CYS A 341 5.524 0.967 -6.919 1.00 0.00 N ATOM 401 CA CYS A 341 6.402 0.013 -7.558 1.00 0.00 C ATOM 402 C CYS A 341 7.769 0.633 -7.778 1.00 0.00 C ATOM 403 O CYS A 341 7.881 1.804 -8.147 1.00 0.00 O ATOM 404 CB CYS A 341 5.799 -0.447 -8.883 1.00 0.00 C ATOM 405 SG CYS A 341 6.886 -0.290 -10.324 1.00 0.00 S ATOM 0 H CYS A 341 4.753 1.281 -7.508 1.00 0.00 H new ATOM 0 HA CYS A 341 6.517 -0.857 -6.911 1.00 0.00 H new ATOM 0 HB2 CYS A 341 5.502 -1.491 -8.785 1.00 0.00 H new ATOM 0 HB3 CYS A 341 4.891 0.127 -9.069 1.00 0.00 H new ATOM 0 HG CYS A 341 7.280 -1.470 -10.701 1.00 0.00 H new ATOM 410 N HIS A 342 8.794 -0.170 -7.575 1.00 0.00 N ATOM 411 CA HIS A 342 10.162 0.318 -7.590 1.00 0.00 C ATOM 412 C HIS A 342 10.632 0.600 -9.026 1.00 0.00 C ATOM 413 O HIS A 342 10.007 0.159 -9.996 1.00 0.00 O ATOM 414 CB HIS A 342 11.067 -0.698 -6.878 1.00 0.00 C ATOM 415 CG HIS A 342 12.454 -0.214 -6.572 1.00 0.00 C ATOM 416 ND1 HIS A 342 13.589 -0.856 -7.018 1.00 0.00 N ATOM 417 CD2 HIS A 342 12.884 0.827 -5.820 1.00 0.00 C ATOM 418 CE1 HIS A 342 14.655 -0.230 -6.555 1.00 0.00 C ATOM 419 NE2 HIS A 342 14.256 0.793 -5.824 1.00 0.00 N ATOM 0 H HIS A 342 8.706 -1.170 -7.396 1.00 0.00 H new ATOM 0 HA HIS A 342 10.216 1.266 -7.054 1.00 0.00 H new ATOM 0 HB2 HIS A 342 10.589 -0.995 -5.945 1.00 0.00 H new ATOM 0 HB3 HIS A 342 11.140 -1.592 -7.497 1.00 0.00 H new ATOM 0 HD2 HIS A 342 12.263 1.550 -5.312 1.00 0.00 H new ATOM 0 HE1 HIS A 342 15.681 -0.509 -6.743 1.00 0.00 H new ATOM 0 HE2 HIS A 342 14.867 1.451 -5.341 1.00 0.00 H new ATOM 428 N LYS A 343 11.744 1.322 -9.118 1.00 0.00 N ATOM 429 CA LYS A 343 12.311 1.834 -10.368 1.00 0.00 C ATOM 430 C LYS A 343 11.558 3.060 -10.874 1.00 0.00 C ATOM 431 O LYS A 343 10.332 3.056 -11.034 1.00 0.00 O ATOM 432 CB LYS A 343 12.434 0.764 -11.448 1.00 0.00 C ATOM 433 CG LYS A 343 13.478 -0.286 -11.110 1.00 0.00 C ATOM 434 CD LYS A 343 14.039 -0.926 -12.360 1.00 0.00 C ATOM 435 CE LYS A 343 15.008 0.002 -13.069 1.00 0.00 C ATOM 436 NZ LYS A 343 15.582 -0.622 -14.285 1.00 0.00 N ATOM 0 H LYS A 343 12.296 1.577 -8.299 1.00 0.00 H new ATOM 0 HA LYS A 343 13.328 2.148 -10.131 1.00 0.00 H new ATOM 0 HB2 LYS A 343 11.468 0.279 -11.587 1.00 0.00 H new ATOM 0 HB3 LYS A 343 12.692 1.237 -12.396 1.00 0.00 H new ATOM 0 HG2 LYS A 343 14.286 0.172 -10.539 1.00 0.00 H new ATOM 0 HG3 LYS A 343 13.034 -1.052 -10.475 1.00 0.00 H new ATOM 0 HD2 LYS A 343 14.547 -1.854 -12.099 1.00 0.00 H new ATOM 0 HD3 LYS A 343 13.224 -1.187 -13.034 1.00 0.00 H new ATOM 0 HE2 LYS A 343 14.494 0.924 -13.342 1.00 0.00 H new ATOM 0 HE3 LYS A 343 15.813 0.276 -12.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 343 16.238 0.044 -14.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 343 16.094 -1.488 -14.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 343 14.816 -0.860 -14.947 1.00 0.00 H new ATOM 450 N ALA A 344 12.332 4.096 -11.159 1.00 0.00 N ATOM 451 CA ALA A 344 11.800 5.439 -11.373 1.00 0.00 C ATOM 452 C ALA A 344 11.322 5.652 -12.800 1.00 0.00 C ATOM 453 O ALA A 344 10.450 6.483 -13.049 1.00 0.00 O ATOM 454 CB ALA A 344 12.847 6.481 -11.014 1.00 0.00 C ATOM 0 H ALA A 344 13.346 4.033 -11.249 1.00 0.00 H new ATOM 0 HA ALA A 344 10.934 5.549 -10.721 1.00 0.00 H new ATOM 0 HB1 ALA A 344 12.439 7.478 -11.178 1.00 0.00 H new ATOM 0 HB2 ALA A 344 13.126 6.371 -9.966 1.00 0.00 H new ATOM 0 HB3 ALA A 344 13.728 6.342 -11.641 1.00 0.00 H new ATOM 460 N ASN A 345 11.879 4.900 -13.737 1.00 0.00 N ATOM 461 CA ASN A 345 11.455 4.993 -15.132 1.00 0.00 C ATOM 462 C ASN A 345 10.240 4.112 -15.371 1.00 0.00 C ATOM 463 O ASN A 345 9.971 3.676 -16.488 1.00 0.00 O ATOM 464 CB ASN A 345 12.595 4.613 -16.078 1.00 0.00 C ATOM 465 CG ASN A 345 13.558 5.764 -16.308 1.00 0.00 C ATOM 466 OD1 ASN A 345 13.378 6.565 -17.225 1.00 0.00 O ATOM 467 ND2 ASN A 345 14.584 5.861 -15.477 1.00 0.00 N ATOM 0 H ASN A 345 12.621 4.222 -13.562 1.00 0.00 H new ATOM 0 HA ASN A 345 11.181 6.027 -15.340 1.00 0.00 H new ATOM 0 HB2 ASN A 345 13.139 3.763 -15.665 1.00 0.00 H new ATOM 0 HB3 ASN A 345 12.180 4.292 -17.034 1.00 0.00 H new ATOM 0 HD21 ASN A 345 15.258 6.619 -15.585 1.00 0.00 H new ATOM 0 HD22 ASN A 345 14.700 5.178 -14.728 1.00 0.00 H new ATOM 474 N CYS A 346 9.509 3.867 -14.298 1.00 0.00 N ATOM 475 CA CYS A 346 8.278 3.113 -14.352 1.00 0.00 C ATOM 476 C CYS A 346 7.255 3.760 -13.427 1.00 0.00 C ATOM 477 O CYS A 346 6.172 4.136 -13.871 1.00 0.00 O ATOM 478 CB CYS A 346 8.528 1.659 -13.951 1.00 0.00 C ATOM 479 SG CYS A 346 7.057 0.605 -14.013 1.00 0.00 S ATOM 0 H CYS A 346 9.757 4.189 -13.362 1.00 0.00 H new ATOM 0 HA CYS A 346 7.891 3.118 -15.371 1.00 0.00 H new ATOM 0 HB2 CYS A 346 9.289 1.239 -14.608 1.00 0.00 H new ATOM 0 HB3 CYS A 346 8.933 1.638 -12.939 1.00 0.00 H new ATOM 0 HG CYS A 346 6.132 1.106 -13.249 1.00 0.00 H new ATOM 484 N TYR A 347 7.626 3.885 -12.144 1.00 0.00 N ATOM 485 CA TYR A 347 6.810 4.569 -11.132 1.00 0.00 C ATOM 486 C TYR A 347 5.347 4.129 -11.197 1.00 0.00 C ATOM 487 O TYR A 347 4.492 4.841 -11.722 1.00 0.00 O ATOM 488 CB TYR A 347 6.926 6.088 -11.305 1.00 0.00 C ATOM 489 CG TYR A 347 6.490 6.882 -10.097 1.00 0.00 C ATOM 490 CD1 TYR A 347 7.003 6.596 -8.842 1.00 0.00 C ATOM 491 CD2 TYR A 347 5.589 7.933 -10.217 1.00 0.00 C ATOM 492 CE1 TYR A 347 6.631 7.332 -7.734 1.00 0.00 C ATOM 493 CE2 TYR A 347 5.207 8.672 -9.114 1.00 0.00 C ATOM 494 CZ TYR A 347 5.730 8.368 -7.874 1.00 0.00 C ATOM 495 OH TYR A 347 5.356 9.104 -6.771 1.00 0.00 O ATOM 0 H TYR A 347 8.503 3.513 -11.779 1.00 0.00 H new ATOM 0 HA TYR A 347 7.189 4.292 -10.148 1.00 0.00 H new ATOM 0 HB2 TYR A 347 7.961 6.338 -11.536 1.00 0.00 H new ATOM 0 HB3 TYR A 347 6.325 6.392 -12.162 1.00 0.00 H new ATOM 0 HD1 TYR A 347 7.706 5.784 -8.728 1.00 0.00 H new ATOM 0 HD2 TYR A 347 5.181 8.176 -11.187 1.00 0.00 H new ATOM 0 HE1 TYR A 347 7.043 7.098 -6.763 1.00 0.00 H new ATOM 0 HE2 TYR A 347 4.503 9.484 -9.222 1.00 0.00 H new ATOM 0 HH TYR A 347 4.916 9.930 -7.063 1.00 0.00 H new ATOM 505 N THR A 348 5.071 2.942 -10.686 1.00 0.00 N ATOM 506 CA THR A 348 3.735 2.369 -10.806 1.00 0.00 C ATOM 507 C THR A 348 3.025 2.347 -9.453 1.00 0.00 C ATOM 508 O THR A 348 3.523 1.748 -8.505 1.00 0.00 O ATOM 509 CB THR A 348 3.792 0.940 -11.383 1.00 0.00 C ATOM 510 OG1 THR A 348 4.963 0.784 -12.223 1.00 0.00 O ATOM 511 CG2 THR A 348 2.539 0.653 -12.199 1.00 0.00 C ATOM 0 H THR A 348 5.744 2.359 -10.188 1.00 0.00 H new ATOM 0 HA THR A 348 3.171 3.002 -11.491 1.00 0.00 H new ATOM 0 HB THR A 348 3.850 0.235 -10.554 1.00 0.00 H new ATOM 0 HG1 THR A 348 5.755 0.655 -11.660 1.00 0.00 H new ATOM 0 HG21 THR A 348 2.591 -0.359 -12.601 1.00 0.00 H new ATOM 0 HG22 THR A 348 1.660 0.745 -11.561 1.00 0.00 H new ATOM 0 HG23 THR A 348 2.468 1.367 -13.020 1.00 0.00 H new ATOM 519 N ALA A 349 1.855 2.966 -9.374 1.00 0.00 N ATOM 520 CA ALA A 349 1.132 3.069 -8.112 1.00 0.00 C ATOM 521 C ALA A 349 0.013 2.039 -8.022 1.00 0.00 C ATOM 522 O ALA A 349 -0.780 1.879 -8.956 1.00 0.00 O ATOM 523 CB ALA A 349 0.562 4.469 -7.946 1.00 0.00 C ATOM 0 H ALA A 349 1.386 3.404 -10.167 1.00 0.00 H new ATOM 0 HA ALA A 349 1.840 2.868 -7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 349 0.024 4.533 -7.000 1.00 0.00 H new ATOM 0 HB2 ALA A 349 1.374 5.196 -7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 349 -0.122 4.683 -8.767 1.00 0.00 H new ATOM 529 N PHE A 350 -0.047 1.336 -6.896 1.00 0.00 N ATOM 530 CA PHE A 350 -1.116 0.377 -6.650 1.00 0.00 C ATOM 531 C PHE A 350 -1.346 0.183 -5.155 1.00 0.00 C ATOM 532 O PHE A 350 -0.678 0.795 -4.335 1.00 0.00 O ATOM 533 CB PHE A 350 -0.835 -0.966 -7.345 1.00 0.00 C ATOM 534 CG PHE A 350 0.532 -1.538 -7.090 1.00 0.00 C ATOM 535 CD1 PHE A 350 1.635 -1.049 -7.769 1.00 0.00 C ATOM 536 CD2 PHE A 350 0.711 -2.574 -6.189 1.00 0.00 C ATOM 537 CE1 PHE A 350 2.889 -1.577 -7.552 1.00 0.00 C ATOM 538 CE2 PHE A 350 1.969 -3.107 -5.970 1.00 0.00 C ATOM 539 CZ PHE A 350 3.059 -2.607 -6.652 1.00 0.00 C ATOM 0 H PHE A 350 0.633 1.413 -6.139 1.00 0.00 H new ATOM 0 HA PHE A 350 -2.031 0.786 -7.080 1.00 0.00 H new ATOM 0 HB2 PHE A 350 -1.582 -1.690 -7.020 1.00 0.00 H new ATOM 0 HB3 PHE A 350 -0.964 -0.836 -8.420 1.00 0.00 H new ATOM 0 HD1 PHE A 350 1.511 -0.244 -8.478 1.00 0.00 H new ATOM 0 HD2 PHE A 350 -0.139 -2.970 -5.652 1.00 0.00 H new ATOM 0 HE1 PHE A 350 3.740 -1.183 -8.088 1.00 0.00 H new ATOM 0 HE2 PHE A 350 2.098 -3.915 -5.265 1.00 0.00 H new ATOM 0 HZ PHE A 350 4.042 -3.021 -6.481 1.00 0.00 H new ATOM 549 N HIS A 351 -2.313 -0.654 -4.807 1.00 0.00 N ATOM 550 CA HIS A 351 -2.652 -0.890 -3.404 1.00 0.00 C ATOM 551 C HIS A 351 -1.899 -2.098 -2.874 1.00 0.00 C ATOM 552 O HIS A 351 -1.633 -3.039 -3.619 1.00 0.00 O ATOM 553 CB HIS A 351 -4.150 -1.149 -3.224 1.00 0.00 C ATOM 554 CG HIS A 351 -5.043 0.029 -3.451 1.00 0.00 C ATOM 555 ND1 HIS A 351 -6.126 0.001 -4.329 1.00 0.00 N ATOM 556 CD2 HIS A 351 -5.078 1.240 -2.846 1.00 0.00 C ATOM 557 CE1 HIS A 351 -6.780 1.154 -4.226 1.00 0.00 C ATOM 558 NE2 HIS A 351 -6.166 1.917 -3.338 1.00 0.00 N ATOM 0 H HIS A 351 -2.878 -1.182 -5.473 1.00 0.00 H new ATOM 0 HA HIS A 351 -2.371 0.008 -2.853 1.00 0.00 H new ATOM 0 HB2 HIS A 351 -4.447 -1.944 -3.908 1.00 0.00 H new ATOM 0 HB3 HIS A 351 -4.317 -1.519 -2.212 1.00 0.00 H new ATOM 0 HD1 HIS A 351 -6.374 -0.773 -4.946 1.00 0.00 H new ATOM 0 HD2 HIS A 351 -4.377 1.606 -2.110 1.00 0.00 H new ATOM 0 HE1 HIS A 351 -7.668 1.423 -4.778 1.00 0.00 H new ATOM 566 N VAL A 352 -1.595 -2.082 -1.584 1.00 0.00 N ATOM 567 CA VAL A 352 -0.956 -3.223 -0.940 1.00 0.00 C ATOM 568 C VAL A 352 -1.908 -4.418 -0.940 1.00 0.00 C ATOM 569 O VAL A 352 -1.502 -5.556 -1.187 1.00 0.00 O ATOM 570 CB VAL A 352 -0.536 -2.896 0.510 1.00 0.00 C ATOM 571 CG1 VAL A 352 0.218 -4.061 1.130 1.00 0.00 C ATOM 572 CG2 VAL A 352 0.306 -1.628 0.551 1.00 0.00 C ATOM 0 H VAL A 352 -1.780 -1.294 -0.963 1.00 0.00 H new ATOM 0 HA VAL A 352 -0.057 -3.465 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 352 -1.440 -2.727 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 352 0.504 -3.808 2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 352 -0.421 -4.944 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 352 1.113 -4.268 0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 352 0.592 -1.414 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 352 1.202 -1.767 -0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 352 -0.273 -0.794 0.155 1.00 0.00 H new ATOM 582 N THR A 353 -3.184 -4.144 -0.683 1.00 0.00 N ATOM 583 CA THR A 353 -4.215 -5.173 -0.721 1.00 0.00 C ATOM 584 C THR A 353 -4.378 -5.729 -2.136 1.00 0.00 C ATOM 585 O THR A 353 -4.596 -6.925 -2.321 1.00 0.00 O ATOM 586 CB THR A 353 -5.573 -4.641 -0.196 1.00 0.00 C ATOM 587 OG1 THR A 353 -6.600 -5.624 -0.376 1.00 0.00 O ATOM 588 CG2 THR A 353 -5.980 -3.351 -0.898 1.00 0.00 C ATOM 0 H THR A 353 -3.528 -3.214 -0.445 1.00 0.00 H new ATOM 0 HA THR A 353 -3.892 -5.979 -0.062 1.00 0.00 H new ATOM 0 HB THR A 353 -5.449 -4.431 0.866 1.00 0.00 H new ATOM 0 HG1 THR A 353 -7.451 -5.274 -0.038 1.00 0.00 H new ATOM 0 HG21 THR A 353 -6.937 -3.008 -0.504 1.00 0.00 H new ATOM 0 HG22 THR A 353 -5.222 -2.587 -0.725 1.00 0.00 H new ATOM 0 HG23 THR A 353 -6.073 -3.533 -1.969 1.00 0.00 H new ATOM 596 N CYS A 354 -4.241 -4.865 -3.139 1.00 0.00 N ATOM 597 CA CYS A 354 -4.342 -5.291 -4.528 1.00 0.00 C ATOM 598 C CYS A 354 -3.144 -6.153 -4.902 1.00 0.00 C ATOM 599 O CYS A 354 -3.276 -7.145 -5.614 1.00 0.00 O ATOM 600 CB CYS A 354 -4.418 -4.085 -5.467 1.00 0.00 C ATOM 601 SG CYS A 354 -5.848 -3.000 -5.203 1.00 0.00 S ATOM 0 H CYS A 354 -4.060 -3.869 -3.014 1.00 0.00 H new ATOM 0 HA CYS A 354 -5.257 -5.874 -4.635 1.00 0.00 H new ATOM 0 HB2 CYS A 354 -3.508 -3.496 -5.353 1.00 0.00 H new ATOM 0 HB3 CYS A 354 -4.438 -4.445 -6.496 1.00 0.00 H new ATOM 0 HG CYS A 354 -6.407 -2.733 -6.346 1.00 0.00 H new ATOM 606 N ALA A 355 -1.978 -5.767 -4.402 1.00 0.00 N ATOM 607 CA ALA A 355 -0.742 -6.481 -4.681 1.00 0.00 C ATOM 608 C ALA A 355 -0.785 -7.900 -4.125 1.00 0.00 C ATOM 609 O ALA A 355 -0.430 -8.854 -4.816 1.00 0.00 O ATOM 610 CB ALA A 355 0.436 -5.719 -4.104 1.00 0.00 C ATOM 0 H ALA A 355 -1.863 -4.955 -3.795 1.00 0.00 H new ATOM 0 HA ALA A 355 -0.625 -6.553 -5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 355 1.358 -6.260 -4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 355 0.484 -4.728 -4.555 1.00 0.00 H new ATOM 0 HB3 ALA A 355 0.313 -5.621 -3.025 1.00 0.00 H new ATOM 616 N GLN A 356 -1.232 -8.031 -2.880 1.00 0.00 N ATOM 617 CA GLN A 356 -1.354 -9.337 -2.243 1.00 0.00 C ATOM 618 C GLN A 356 -2.435 -10.164 -2.926 1.00 0.00 C ATOM 619 O GLN A 356 -2.355 -11.390 -2.984 1.00 0.00 O ATOM 620 CB GLN A 356 -1.686 -9.179 -0.760 1.00 0.00 C ATOM 621 CG GLN A 356 -0.609 -8.459 0.036 1.00 0.00 C ATOM 622 CD GLN A 356 -0.998 -8.278 1.489 1.00 0.00 C ATOM 623 OE1 GLN A 356 -0.713 -9.128 2.332 1.00 0.00 O ATOM 624 NE2 GLN A 356 -1.655 -7.170 1.791 1.00 0.00 N ATOM 0 H GLN A 356 -1.516 -7.248 -2.292 1.00 0.00 H new ATOM 0 HA GLN A 356 -0.399 -9.853 -2.340 1.00 0.00 H new ATOM 0 HB2 GLN A 356 -2.623 -8.631 -0.663 1.00 0.00 H new ATOM 0 HB3 GLN A 356 -1.847 -10.166 -0.326 1.00 0.00 H new ATOM 0 HG2 GLN A 356 0.322 -9.023 -0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 356 -0.419 -7.484 -0.412 1.00 0.00 H new ATOM 0 HE21 GLN A 356 -1.871 -6.491 1.062 1.00 0.00 H new ATOM 0 HE22 GLN A 356 -1.945 -6.995 2.753 1.00 0.00 H new ATOM 633 N LYS A 357 -3.443 -9.478 -3.445 1.00 0.00 N ATOM 634 CA LYS A 357 -4.553 -10.130 -4.119 1.00 0.00 C ATOM 635 C LYS A 357 -4.104 -10.698 -5.461 1.00 0.00 C ATOM 636 O LYS A 357 -4.462 -11.817 -5.825 1.00 0.00 O ATOM 637 CB LYS A 357 -5.691 -9.131 -4.318 1.00 0.00 C ATOM 638 CG LYS A 357 -7.062 -9.699 -3.999 1.00 0.00 C ATOM 639 CD LYS A 357 -8.143 -8.632 -4.092 1.00 0.00 C ATOM 640 CE LYS A 357 -7.847 -7.443 -3.181 1.00 0.00 C ATOM 641 NZ LYS A 357 -7.624 -7.854 -1.767 1.00 0.00 N ATOM 0 H LYS A 357 -3.513 -8.461 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 357 -4.907 -10.955 -3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 357 -5.513 -8.260 -3.688 1.00 0.00 H new ATOM 0 HB3 LYS A 357 -5.682 -8.784 -5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 357 -7.290 -10.511 -4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 357 -7.056 -10.126 -2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 357 -8.226 -8.288 -5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 357 -9.106 -9.066 -3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 357 -6.965 -6.918 -3.548 1.00 0.00 H new ATOM 0 HE3 LYS A 357 -8.678 -6.739 -3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 357 -7.394 -7.017 -1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 357 -8.486 -8.301 -1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 357 -6.836 -8.531 -1.723 1.00 0.00 H new ATOM 655 N ALA A 358 -3.307 -9.919 -6.187 1.00 0.00 N ATOM 656 CA ALA A 358 -2.788 -10.346 -7.482 1.00 0.00 C ATOM 657 C ALA A 358 -1.640 -11.336 -7.311 1.00 0.00 C ATOM 658 O ALA A 358 -1.404 -12.184 -8.176 1.00 0.00 O ATOM 659 CB ALA A 358 -2.330 -9.141 -8.290 1.00 0.00 C ATOM 0 H ALA A 358 -3.006 -8.988 -5.900 1.00 0.00 H new ATOM 0 HA ALA A 358 -3.591 -10.848 -8.021 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -1.945 -9.474 -9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -3.172 -8.468 -8.449 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -1.544 -8.616 -7.747 1.00 0.00 H new ATOM 665 N GLY A 359 -0.928 -11.219 -6.196 1.00 0.00 N ATOM 666 CA GLY A 359 0.173 -12.119 -5.911 1.00 0.00 C ATOM 667 C GLY A 359 1.409 -11.785 -6.721 1.00 0.00 C ATOM 668 O GLY A 359 2.075 -12.678 -7.244 1.00 0.00 O ATOM 0 H GLY A 359 -1.096 -10.512 -5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 359 0.413 -12.072 -4.849 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.133 -13.143 -6.124 1.00 0.00 H new ATOM 672 N LEU A 360 1.719 -10.499 -6.819 1.00 0.00 N ATOM 673 CA LEU A 360 2.860 -10.047 -7.606 1.00 0.00 C ATOM 674 C LEU A 360 4.166 -10.169 -6.818 1.00 0.00 C ATOM 675 O LEU A 360 4.174 -10.634 -5.677 1.00 0.00 O ATOM 676 CB LEU A 360 2.637 -8.604 -8.096 1.00 0.00 C ATOM 677 CG LEU A 360 2.197 -7.585 -7.030 1.00 0.00 C ATOM 678 CD1 LEU A 360 3.363 -7.171 -6.141 1.00 0.00 C ATOM 679 CD2 LEU A 360 1.572 -6.366 -7.695 1.00 0.00 C ATOM 0 H LEU A 360 1.197 -9.750 -6.364 1.00 0.00 H new ATOM 0 HA LEU A 360 2.948 -10.695 -8.478 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.563 -8.249 -8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 360 1.884 -8.622 -8.884 1.00 0.00 H new ATOM 0 HG LEU A 360 1.451 -8.062 -6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 360 3.017 -6.451 -5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 360 3.764 -8.049 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 360 4.143 -6.717 -6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 360 1.265 -5.652 -6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 360 2.301 -5.898 -8.356 1.00 0.00 H new ATOM 0 HD23 LEU A 360 0.702 -6.674 -8.275 1.00 0.00 H new ATOM 691 N TYR A 361 5.261 -9.745 -7.436 1.00 0.00 N ATOM 692 CA TYR A 361 6.586 -9.861 -6.838 1.00 0.00 C ATOM 693 C TYR A 361 6.800 -8.811 -5.753 1.00 0.00 C ATOM 694 O TYR A 361 6.833 -7.607 -6.027 1.00 0.00 O ATOM 695 CB TYR A 361 7.657 -9.726 -7.926 1.00 0.00 C ATOM 696 CG TYR A 361 9.090 -9.767 -7.426 1.00 0.00 C ATOM 697 CD1 TYR A 361 9.741 -8.607 -7.026 1.00 0.00 C ATOM 698 CD2 TYR A 361 9.800 -10.962 -7.379 1.00 0.00 C ATOM 699 CE1 TYR A 361 11.055 -8.632 -6.596 1.00 0.00 C ATOM 700 CE2 TYR A 361 11.112 -10.995 -6.944 1.00 0.00 C ATOM 701 CZ TYR A 361 11.734 -9.829 -6.555 1.00 0.00 C ATOM 702 OH TYR A 361 13.046 -9.861 -6.138 1.00 0.00 O ATOM 0 H TYR A 361 5.257 -9.313 -8.360 1.00 0.00 H new ATOM 0 HA TYR A 361 6.666 -10.842 -6.370 1.00 0.00 H new ATOM 0 HB2 TYR A 361 7.519 -10.527 -8.652 1.00 0.00 H new ATOM 0 HB3 TYR A 361 7.500 -8.786 -8.455 1.00 0.00 H new ATOM 0 HD1 TYR A 361 9.210 -7.667 -7.051 1.00 0.00 H new ATOM 0 HD2 TYR A 361 9.319 -11.879 -7.687 1.00 0.00 H new ATOM 0 HE1 TYR A 361 11.546 -7.718 -6.294 1.00 0.00 H new ATOM 0 HE2 TYR A 361 11.648 -11.932 -6.909 1.00 0.00 H new ATOM 0 HH TYR A 361 13.376 -10.783 -6.167 1.00 0.00 H new ATOM 712 N MET A 362 6.938 -9.280 -4.521 1.00 0.00 N ATOM 713 CA MET A 362 7.267 -8.415 -3.402 1.00 0.00 C ATOM 714 C MET A 362 8.658 -8.728 -2.879 1.00 0.00 C ATOM 715 O MET A 362 8.993 -9.889 -2.642 1.00 0.00 O ATOM 716 CB MET A 362 6.262 -8.584 -2.260 1.00 0.00 C ATOM 717 CG MET A 362 4.958 -7.834 -2.460 1.00 0.00 C ATOM 718 SD MET A 362 3.803 -8.109 -1.101 1.00 0.00 S ATOM 719 CE MET A 362 2.487 -6.979 -1.541 1.00 0.00 C ATOM 0 H MET A 362 6.826 -10.263 -4.272 1.00 0.00 H new ATOM 0 HA MET A 362 7.230 -7.387 -3.762 1.00 0.00 H new ATOM 0 HB2 MET A 362 6.043 -9.645 -2.139 1.00 0.00 H new ATOM 0 HB3 MET A 362 6.724 -8.246 -1.332 1.00 0.00 H new ATOM 0 HG2 MET A 362 5.164 -6.767 -2.550 1.00 0.00 H new ATOM 0 HG3 MET A 362 4.498 -8.150 -3.396 1.00 0.00 H new ATOM 0 HE1 MET A 362 1.895 -6.748 -0.656 1.00 0.00 H new ATOM 0 HE2 MET A 362 2.915 -6.060 -1.941 1.00 0.00 H new ATOM 0 HE3 MET A 362 1.849 -7.440 -2.295 1.00 0.00 H new ATOM 729 N LYS A 363 9.461 -7.696 -2.707 1.00 0.00 N ATOM 730 CA LYS A 363 10.740 -7.838 -2.045 1.00 0.00 C ATOM 731 C LYS A 363 10.574 -7.317 -0.630 1.00 0.00 C ATOM 732 O LYS A 363 9.665 -6.532 -0.368 1.00 0.00 O ATOM 733 CB LYS A 363 11.843 -7.061 -2.776 1.00 0.00 C ATOM 734 CG LYS A 363 13.245 -7.418 -2.305 1.00 0.00 C ATOM 735 CD LYS A 363 14.296 -6.487 -2.882 1.00 0.00 C ATOM 736 CE LYS A 363 15.697 -6.946 -2.511 1.00 0.00 C ATOM 737 NZ LYS A 363 16.735 -5.966 -2.920 1.00 0.00 N ATOM 0 H LYS A 363 9.248 -6.748 -3.018 1.00 0.00 H new ATOM 0 HA LYS A 363 11.043 -8.885 -2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 363 11.766 -7.255 -3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 363 11.681 -5.993 -2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 363 13.283 -7.376 -1.216 1.00 0.00 H new ATOM 0 HG3 LYS A 363 13.473 -8.444 -2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 363 14.197 -6.450 -3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 363 14.132 -5.475 -2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 363 15.753 -7.103 -1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 363 15.900 -7.907 -2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 17.647 -6.453 -3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 16.463 -5.529 -3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 16.823 -5.229 -2.191 1.00 0.00 H new ATOM 751 N MET A 364 11.423 -7.738 0.279 1.00 0.00 N ATOM 752 CA MET A 364 11.260 -7.384 1.670 1.00 0.00 C ATOM 753 C MET A 364 12.623 -7.132 2.261 1.00 0.00 C ATOM 754 O MET A 364 13.395 -8.061 2.490 1.00 0.00 O ATOM 755 CB MET A 364 10.531 -8.498 2.430 1.00 0.00 C ATOM 756 CG MET A 364 9.203 -8.863 1.789 1.00 0.00 C ATOM 757 SD MET A 364 8.117 -9.829 2.846 1.00 0.00 S ATOM 758 CE MET A 364 6.639 -9.791 1.835 1.00 0.00 C ATOM 0 H MET A 364 12.233 -8.326 0.080 1.00 0.00 H new ATOM 0 HA MET A 364 10.653 -6.483 1.754 1.00 0.00 H new ATOM 0 HB2 MET A 364 11.167 -9.382 2.471 1.00 0.00 H new ATOM 0 HB3 MET A 364 10.360 -8.181 3.459 1.00 0.00 H new ATOM 0 HG2 MET A 364 8.688 -7.947 1.498 1.00 0.00 H new ATOM 0 HG3 MET A 364 9.396 -9.424 0.875 1.00 0.00 H new ATOM 0 HE1 MET A 364 5.760 -9.894 2.471 1.00 0.00 H new ATOM 0 HE2 MET A 364 6.589 -8.843 1.299 1.00 0.00 H new ATOM 0 HE3 MET A 364 6.667 -10.612 1.119 1.00 0.00 H new ATOM 768 N GLU A 365 12.928 -5.875 2.479 1.00 0.00 N ATOM 769 CA GLU A 365 14.237 -5.499 2.955 1.00 0.00 C ATOM 770 C GLU A 365 14.138 -5.019 4.395 1.00 0.00 C ATOM 771 O GLU A 365 13.359 -4.114 4.702 1.00 0.00 O ATOM 772 CB GLU A 365 14.804 -4.410 2.044 1.00 0.00 C ATOM 773 CG GLU A 365 15.085 -4.886 0.627 1.00 0.00 C ATOM 774 CD GLU A 365 15.780 -3.840 -0.225 1.00 0.00 C ATOM 775 OE1 GLU A 365 15.323 -2.678 -0.252 1.00 0.00 O ATOM 776 OE2 GLU A 365 16.780 -4.182 -0.893 1.00 0.00 O ATOM 0 H GLU A 365 12.287 -5.095 2.334 1.00 0.00 H new ATOM 0 HA GLU A 365 14.909 -6.357 2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 365 14.101 -3.578 2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 365 15.727 -4.028 2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 365 15.703 -5.783 0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 365 14.145 -5.168 0.152 1.00 0.00 H new ATOM 783 N PRO A 366 14.885 -5.649 5.311 1.00 0.00 N ATOM 784 CA PRO A 366 14.886 -5.261 6.717 1.00 0.00 C ATOM 785 C PRO A 366 15.683 -4.011 7.017 1.00 0.00 C ATOM 786 O PRO A 366 16.753 -3.765 6.457 1.00 0.00 O ATOM 787 CB PRO A 366 15.551 -6.433 7.437 1.00 0.00 C ATOM 788 CG PRO A 366 15.617 -7.530 6.428 1.00 0.00 C ATOM 789 CD PRO A 366 15.712 -6.841 5.095 1.00 0.00 C ATOM 0 HA PRO A 366 13.865 -5.042 7.030 1.00 0.00 H new ATOM 0 HB2 PRO A 366 16.546 -6.164 7.790 1.00 0.00 H new ATOM 0 HB3 PRO A 366 14.974 -6.736 8.310 1.00 0.00 H new ATOM 0 HG2 PRO A 366 16.481 -8.172 6.601 1.00 0.00 H new ATOM 0 HG3 PRO A 366 14.733 -8.165 6.480 1.00 0.00 H new ATOM 0 HD2 PRO A 366 16.740 -6.584 4.840 1.00 0.00 H new ATOM 0 HD3 PRO A 366 15.329 -7.463 4.286 1.00 0.00 H new ATOM 797 N VAL A 367 15.135 -3.242 7.924 1.00 0.00 N ATOM 798 CA VAL A 367 15.837 -2.166 8.568 1.00 0.00 C ATOM 799 C VAL A 367 15.940 -2.490 10.052 1.00 0.00 C ATOM 800 O VAL A 367 14.927 -2.750 10.709 1.00 0.00 O ATOM 801 CB VAL A 367 15.110 -0.827 8.366 1.00 0.00 C ATOM 802 CG1 VAL A 367 15.570 0.180 9.395 1.00 0.00 C ATOM 803 CG2 VAL A 367 15.348 -0.306 6.960 1.00 0.00 C ATOM 0 H VAL A 367 14.171 -3.350 8.240 1.00 0.00 H new ATOM 0 HA VAL A 367 16.830 -2.066 8.129 1.00 0.00 H new ATOM 0 HB VAL A 367 14.039 -0.985 8.496 1.00 0.00 H new ATOM 0 HG11 VAL A 367 15.047 1.124 9.240 1.00 0.00 H new ATOM 0 HG12 VAL A 367 15.352 -0.196 10.395 1.00 0.00 H new ATOM 0 HG13 VAL A 367 16.643 0.339 9.294 1.00 0.00 H new ATOM 0 HG21 VAL A 367 14.827 0.643 6.831 1.00 0.00 H new ATOM 0 HG22 VAL A 367 16.416 -0.158 6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 367 14.971 -1.028 6.236 1.00 0.00 H new ATOM 813 N LYS A 368 17.153 -2.509 10.577 1.00 0.00 N ATOM 814 CA LYS A 368 17.349 -2.886 11.963 1.00 0.00 C ATOM 815 C LYS A 368 17.308 -1.667 12.866 1.00 0.00 C ATOM 816 O LYS A 368 18.265 -0.898 12.950 1.00 0.00 O ATOM 817 CB LYS A 368 18.659 -3.655 12.143 1.00 0.00 C ATOM 818 CG LYS A 368 18.717 -4.953 11.345 1.00 0.00 C ATOM 819 CD LYS A 368 17.507 -5.846 11.608 1.00 0.00 C ATOM 820 CE LYS A 368 17.440 -6.325 13.054 1.00 0.00 C ATOM 821 NZ LYS A 368 18.554 -7.250 13.389 1.00 0.00 N ATOM 0 H LYS A 368 18.006 -2.271 10.071 1.00 0.00 H new ATOM 0 HA LYS A 368 16.531 -3.547 12.250 1.00 0.00 H new ATOM 0 HB2 LYS A 368 19.490 -3.016 11.844 1.00 0.00 H new ATOM 0 HB3 LYS A 368 18.796 -3.881 13.200 1.00 0.00 H new ATOM 0 HG2 LYS A 368 18.771 -4.721 10.281 1.00 0.00 H new ATOM 0 HG3 LYS A 368 19.628 -5.494 11.600 1.00 0.00 H new ATOM 0 HD2 LYS A 368 16.596 -5.298 11.367 1.00 0.00 H new ATOM 0 HD3 LYS A 368 17.545 -6.709 10.944 1.00 0.00 H new ATOM 0 HE2 LYS A 368 17.471 -5.464 13.722 1.00 0.00 H new ATOM 0 HE3 LYS A 368 16.488 -6.828 13.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 18.405 -7.643 14.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 18.583 -8.024 12.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 19.455 -6.731 13.366 1.00 0.00 H new ATOM 835 N GLU A 369 16.173 -1.498 13.516 1.00 0.00 N ATOM 836 CA GLU A 369 15.972 -0.426 14.467 1.00 0.00 C ATOM 837 C GLU A 369 16.379 -0.865 15.867 1.00 0.00 C ATOM 838 O GLU A 369 16.776 -2.010 16.079 1.00 0.00 O ATOM 839 CB GLU A 369 14.530 0.064 14.446 1.00 0.00 C ATOM 840 CG GLU A 369 14.165 0.822 13.184 1.00 0.00 C ATOM 841 CD GLU A 369 14.998 2.072 13.006 1.00 0.00 C ATOM 842 OE1 GLU A 369 14.800 3.032 13.780 1.00 0.00 O ATOM 843 OE2 GLU A 369 15.859 2.103 12.104 1.00 0.00 O ATOM 0 H GLU A 369 15.361 -2.104 13.398 1.00 0.00 H new ATOM 0 HA GLU A 369 16.609 0.408 14.174 1.00 0.00 H new ATOM 0 HB2 GLU A 369 13.863 -0.791 14.552 1.00 0.00 H new ATOM 0 HB3 GLU A 369 14.361 0.709 15.309 1.00 0.00 H new ATOM 0 HG2 GLU A 369 14.300 0.172 12.320 1.00 0.00 H new ATOM 0 HG3 GLU A 369 13.110 1.093 13.217 1.00 0.00 H new ATOM 850 N LEU A 370 16.267 0.057 16.804 1.00 0.00 N ATOM 851 CA LEU A 370 16.882 -0.069 18.124 1.00 0.00 C ATOM 852 C LEU A 370 16.256 0.935 19.084 1.00 0.00 C ATOM 853 O LEU A 370 16.109 0.673 20.279 1.00 0.00 O ATOM 854 CB LEU A 370 18.392 0.173 18.018 1.00 0.00 C ATOM 855 CG LEU A 370 19.165 0.144 19.340 1.00 0.00 C ATOM 856 CD1 LEU A 370 19.089 -1.232 19.985 1.00 0.00 C ATOM 857 CD2 LEU A 370 20.614 0.552 19.114 1.00 0.00 C ATOM 0 H LEU A 370 15.744 0.923 16.676 1.00 0.00 H new ATOM 0 HA LEU A 370 16.711 -1.076 18.505 1.00 0.00 H new ATOM 0 HB2 LEU A 370 18.816 -0.580 17.354 1.00 0.00 H new ATOM 0 HB3 LEU A 370 18.554 1.142 17.545 1.00 0.00 H new ATOM 0 HG LEU A 370 18.705 0.860 20.021 1.00 0.00 H new ATOM 0 HD11 LEU A 370 19.646 -1.226 20.922 1.00 0.00 H new ATOM 0 HD12 LEU A 370 18.047 -1.484 20.184 1.00 0.00 H new ATOM 0 HD13 LEU A 370 19.519 -1.974 19.312 1.00 0.00 H new ATOM 0 HD21 LEU A 370 21.151 0.527 20.062 1.00 0.00 H new ATOM 0 HD22 LEU A 370 21.082 -0.140 18.413 1.00 0.00 H new ATOM 0 HD23 LEU A 370 20.648 1.562 18.704 1.00 0.00 H new ATOM 869 N THR A 371 15.895 2.087 18.541 1.00 0.00 N ATOM 870 CA THR A 371 15.224 3.128 19.298 1.00 0.00 C ATOM 871 C THR A 371 13.877 2.640 19.823 1.00 0.00 C ATOM 872 O THR A 371 12.998 2.255 19.048 1.00 0.00 O ATOM 873 CB THR A 371 15.029 4.383 18.428 1.00 0.00 C ATOM 874 OG1 THR A 371 14.552 4.004 17.129 1.00 0.00 O ATOM 875 CG2 THR A 371 16.337 5.150 18.290 1.00 0.00 C ATOM 0 H THR A 371 16.060 2.325 17.563 1.00 0.00 H new ATOM 0 HA THR A 371 15.853 3.383 20.151 1.00 0.00 H new ATOM 0 HB THR A 371 14.296 5.029 18.911 1.00 0.00 H new ATOM 0 HG1 THR A 371 13.863 3.313 17.222 1.00 0.00 H new ATOM 0 HG21 THR A 371 16.177 6.033 17.672 1.00 0.00 H new ATOM 0 HG22 THR A 371 16.685 5.456 19.277 1.00 0.00 H new ATOM 0 HG23 THR A 371 17.086 4.511 17.823 1.00 0.00 H new ATOM 883 N GLY A 372 13.730 2.660 21.139 1.00 0.00 N ATOM 884 CA GLY A 372 12.537 2.136 21.766 1.00 0.00 C ATOM 885 C GLY A 372 12.875 1.154 22.867 1.00 0.00 C ATOM 886 O GLY A 372 11.994 0.488 23.418 1.00 0.00 O ATOM 0 H GLY A 372 14.423 3.033 21.788 1.00 0.00 H new ATOM 0 HA2 GLY A 372 11.950 2.957 22.177 1.00 0.00 H new ATOM 0 HA3 GLY A 372 11.917 1.645 21.017 1.00 0.00 H new ATOM 890 N GLY A 373 14.161 1.059 23.183 1.00 0.00 N ATOM 891 CA GLY A 373 14.610 0.166 24.229 1.00 0.00 C ATOM 892 C GLY A 373 14.788 -1.253 23.728 1.00 0.00 C ATOM 893 O GLY A 373 14.390 -2.208 24.395 1.00 0.00 O ATOM 0 H GLY A 373 14.904 1.590 22.728 1.00 0.00 H new ATOM 0 HA2 GLY A 373 15.555 0.528 24.634 1.00 0.00 H new ATOM 0 HA3 GLY A 373 13.889 0.174 25.046 1.00 0.00 H new ATOM 897 N GLY A 374 15.366 -1.388 22.543 1.00 0.00 N ATOM 898 CA GLY A 374 15.607 -2.700 21.983 1.00 0.00 C ATOM 899 C GLY A 374 15.485 -2.696 20.475 1.00 0.00 C ATOM 900 O GLY A 374 14.766 -1.872 19.914 1.00 0.00 O ATOM 0 H GLY A 374 15.673 -0.610 21.959 1.00 0.00 H new ATOM 0 HA2 GLY A 374 16.603 -3.039 22.267 1.00 0.00 H new ATOM 0 HA3 GLY A 374 14.896 -3.411 22.404 1.00 0.00 H new ATOM 904 N THR A 375 16.197 -3.605 19.826 1.00 0.00 N ATOM 905 CA THR A 375 16.169 -3.709 18.374 1.00 0.00 C ATOM 906 C THR A 375 14.777 -4.076 17.878 1.00 0.00 C ATOM 907 O THR A 375 14.131 -4.976 18.419 1.00 0.00 O ATOM 908 CB THR A 375 17.174 -4.764 17.878 1.00 0.00 C ATOM 909 OG1 THR A 375 17.019 -5.969 18.639 1.00 0.00 O ATOM 910 CG2 THR A 375 18.605 -4.258 17.997 1.00 0.00 C ATOM 0 H THR A 375 16.804 -4.285 20.284 1.00 0.00 H new ATOM 0 HA THR A 375 16.445 -2.733 17.975 1.00 0.00 H new ATOM 0 HB THR A 375 16.972 -4.964 16.826 1.00 0.00 H new ATOM 0 HG1 THR A 375 17.658 -6.641 18.322 1.00 0.00 H new ATOM 0 HG21 THR A 375 19.293 -5.024 17.639 1.00 0.00 H new ATOM 0 HG22 THR A 375 18.723 -3.356 17.397 1.00 0.00 H new ATOM 0 HG23 THR A 375 18.825 -4.031 19.040 1.00 0.00 H new ATOM 918 N THR A 376 14.327 -3.391 16.839 1.00 0.00 N ATOM 919 CA THR A 376 13.023 -3.614 16.292 1.00 0.00 C ATOM 920 C THR A 376 13.151 -3.787 14.797 1.00 0.00 C ATOM 921 O THR A 376 13.689 -2.939 14.085 1.00 0.00 O ATOM 922 CB THR A 376 12.046 -2.460 16.617 1.00 0.00 C ATOM 923 OG1 THR A 376 12.473 -1.245 16.002 1.00 0.00 O ATOM 924 CG2 THR A 376 11.969 -2.243 18.111 1.00 0.00 C ATOM 0 H THR A 376 14.864 -2.668 16.360 1.00 0.00 H new ATOM 0 HA THR A 376 12.607 -4.513 16.746 1.00 0.00 H new ATOM 0 HB THR A 376 11.065 -2.737 16.230 1.00 0.00 H new ATOM 0 HG1 THR A 376 11.840 -0.529 16.219 1.00 0.00 H new ATOM 0 HG21 THR A 376 11.278 -1.428 18.325 1.00 0.00 H new ATOM 0 HG22 THR A 376 11.616 -3.154 18.593 1.00 0.00 H new ATOM 0 HG23 THR A 376 12.958 -1.990 18.493 1.00 0.00 H new ATOM 932 N PHE A 377 12.720 -4.923 14.346 1.00 0.00 N ATOM 933 CA PHE A 377 12.745 -5.253 12.953 1.00 0.00 C ATOM 934 C PHE A 377 11.700 -4.449 12.179 1.00 0.00 C ATOM 935 O PHE A 377 10.495 -4.631 12.344 1.00 0.00 O ATOM 936 CB PHE A 377 12.543 -6.762 12.784 1.00 0.00 C ATOM 937 CG PHE A 377 11.210 -7.295 13.255 1.00 0.00 C ATOM 938 CD1 PHE A 377 10.938 -7.455 14.605 1.00 0.00 C ATOM 939 CD2 PHE A 377 10.230 -7.639 12.335 1.00 0.00 C ATOM 940 CE1 PHE A 377 9.718 -7.943 15.029 1.00 0.00 C ATOM 941 CE2 PHE A 377 9.008 -8.129 12.753 1.00 0.00 C ATOM 942 CZ PHE A 377 8.751 -8.281 14.102 1.00 0.00 C ATOM 0 H PHE A 377 12.336 -5.657 14.941 1.00 0.00 H new ATOM 0 HA PHE A 377 13.717 -4.986 12.537 1.00 0.00 H new ATOM 0 HB2 PHE A 377 12.663 -7.011 11.730 1.00 0.00 H new ATOM 0 HB3 PHE A 377 13.334 -7.280 13.326 1.00 0.00 H new ATOM 0 HD1 PHE A 377 11.690 -7.194 15.335 1.00 0.00 H new ATOM 0 HD2 PHE A 377 10.425 -7.522 11.279 1.00 0.00 H new ATOM 0 HE1 PHE A 377 9.520 -8.060 16.084 1.00 0.00 H new ATOM 0 HE2 PHE A 377 8.254 -8.393 12.026 1.00 0.00 H new ATOM 0 HZ PHE A 377 7.796 -8.663 14.431 1.00 0.00 H new ATOM 952 N SER A 378 12.172 -3.523 11.368 1.00 0.00 N ATOM 953 CA SER A 378 11.304 -2.787 10.475 1.00 0.00 C ATOM 954 C SER A 378 11.485 -3.336 9.074 1.00 0.00 C ATOM 955 O SER A 378 12.587 -3.318 8.534 1.00 0.00 O ATOM 956 CB SER A 378 11.640 -1.290 10.514 1.00 0.00 C ATOM 957 OG SER A 378 10.817 -0.547 9.626 1.00 0.00 O ATOM 0 H SER A 378 13.157 -3.263 11.310 1.00 0.00 H new ATOM 0 HA SER A 378 10.266 -2.902 10.787 1.00 0.00 H new ATOM 0 HB2 SER A 378 11.513 -0.914 11.529 1.00 0.00 H new ATOM 0 HB3 SER A 378 12.687 -1.144 10.249 1.00 0.00 H new ATOM 0 HG SER A 378 11.055 0.402 9.676 1.00 0.00 H new ATOM 963 N VAL A 379 10.424 -3.851 8.490 1.00 0.00 N ATOM 964 CA VAL A 379 10.524 -4.419 7.164 1.00 0.00 C ATOM 965 C VAL A 379 9.869 -3.502 6.159 1.00 0.00 C ATOM 966 O VAL A 379 8.739 -3.050 6.353 1.00 0.00 O ATOM 967 CB VAL A 379 9.861 -5.798 7.049 1.00 0.00 C ATOM 968 CG1 VAL A 379 10.412 -6.562 5.852 1.00 0.00 C ATOM 969 CG2 VAL A 379 10.022 -6.604 8.330 1.00 0.00 C ATOM 0 H VAL A 379 9.494 -3.888 8.907 1.00 0.00 H new ATOM 0 HA VAL A 379 11.589 -4.535 6.963 1.00 0.00 H new ATOM 0 HB VAL A 379 8.794 -5.641 6.894 1.00 0.00 H new ATOM 0 HG11 VAL A 379 9.929 -7.537 5.789 1.00 0.00 H new ATOM 0 HG12 VAL A 379 10.215 -5.999 4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 379 11.487 -6.697 5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 379 9.540 -7.575 8.212 1.00 0.00 H new ATOM 0 HG22 VAL A 379 11.082 -6.748 8.538 1.00 0.00 H new ATOM 0 HG23 VAL A 379 9.559 -6.067 9.158 1.00 0.00 H new ATOM 979 N ARG A 380 10.581 -3.238 5.092 1.00 0.00 N ATOM 980 CA ARG A 380 10.052 -2.433 4.007 1.00 0.00 C ATOM 981 C ARG A 380 9.916 -3.293 2.767 1.00 0.00 C ATOM 982 O ARG A 380 10.899 -3.821 2.241 1.00 0.00 O ATOM 983 CB ARG A 380 10.923 -1.198 3.740 1.00 0.00 C ATOM 984 CG ARG A 380 12.389 -1.497 3.487 1.00 0.00 C ATOM 985 CD ARG A 380 13.192 -0.218 3.341 1.00 0.00 C ATOM 986 NE ARG A 380 13.060 0.638 4.518 1.00 0.00 N ATOM 987 CZ ARG A 380 13.755 1.756 4.711 1.00 0.00 C ATOM 988 NH1 ARG A 380 14.629 2.166 3.800 1.00 0.00 N ATOM 989 NH2 ARG A 380 13.574 2.464 5.823 1.00 0.00 N ATOM 0 H ARG A 380 11.535 -3.569 4.946 1.00 0.00 H new ATOM 0 HA ARG A 380 9.068 -2.062 4.293 1.00 0.00 H new ATOM 0 HB2 ARG A 380 10.521 -0.667 2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 380 10.846 -0.525 4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 380 12.789 -2.089 4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 380 12.490 -2.098 2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 380 14.243 -0.463 3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 380 12.856 0.324 2.457 1.00 0.00 H new ATOM 0 HE ARG A 380 12.392 0.361 5.238 1.00 0.00 H new ATOM 0 HH11 ARG A 380 14.770 1.623 2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 380 15.160 3.024 3.952 1.00 0.00 H new ATOM 0 HH21 ARG A 380 12.904 2.149 6.525 1.00 0.00 H new ATOM 0 HH22 ARG A 380 14.105 3.322 5.974 1.00 0.00 H new ATOM 1003 N LYS A 381 8.688 -3.473 2.328 1.00 0.00 N ATOM 1004 CA LYS A 381 8.423 -4.334 1.197 1.00 0.00 C ATOM 1005 C LYS A 381 8.482 -3.549 -0.094 1.00 0.00 C ATOM 1006 O LYS A 381 7.561 -2.806 -0.433 1.00 0.00 O ATOM 1007 CB LYS A 381 7.070 -5.036 1.324 1.00 0.00 C ATOM 1008 CG LYS A 381 6.984 -6.016 2.483 1.00 0.00 C ATOM 1009 CD LYS A 381 6.720 -5.313 3.804 1.00 0.00 C ATOM 1010 CE LYS A 381 6.265 -6.284 4.879 1.00 0.00 C ATOM 1011 NZ LYS A 381 4.901 -6.811 4.610 1.00 0.00 N ATOM 0 H LYS A 381 7.861 -3.036 2.736 1.00 0.00 H new ATOM 0 HA LYS A 381 9.198 -5.101 1.184 1.00 0.00 H new ATOM 0 HB2 LYS A 381 6.292 -4.282 1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 381 6.861 -5.568 0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 381 6.189 -6.736 2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 381 7.915 -6.579 2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 381 7.627 -4.805 4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 381 5.959 -4.546 3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 381 6.969 -7.114 4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 381 6.276 -5.784 5.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 4.513 -7.229 5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 4.285 -6.035 4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 4.950 -7.538 3.868 1.00 0.00 H new ATOM 1025 N THR A 382 9.586 -3.696 -0.793 1.00 0.00 N ATOM 1026 CA THR A 382 9.747 -3.081 -2.085 1.00 0.00 C ATOM 1027 C THR A 382 9.137 -3.980 -3.148 1.00 0.00 C ATOM 1028 O THR A 382 9.667 -5.044 -3.458 1.00 0.00 O ATOM 1029 CB THR A 382 11.236 -2.841 -2.382 1.00 0.00 C ATOM 1030 OG1 THR A 382 11.787 -1.985 -1.375 1.00 0.00 O ATOM 1031 CG2 THR A 382 11.431 -2.220 -3.751 1.00 0.00 C ATOM 0 H THR A 382 10.390 -4.242 -0.482 1.00 0.00 H new ATOM 0 HA THR A 382 9.238 -2.117 -2.090 1.00 0.00 H new ATOM 0 HB THR A 382 11.750 -3.802 -2.374 1.00 0.00 H new ATOM 0 HG1 THR A 382 12.737 -1.831 -1.560 1.00 0.00 H new ATOM 0 HG21 THR A 382 12.494 -2.063 -3.931 1.00 0.00 H new ATOM 0 HG22 THR A 382 11.029 -2.887 -4.514 1.00 0.00 H new ATOM 0 HG23 THR A 382 10.910 -1.263 -3.794 1.00 0.00 H new ATOM 1039 N ALA A 383 8.019 -3.559 -3.699 1.00 0.00 N ATOM 1040 CA ALA A 383 7.318 -4.373 -4.663 1.00 0.00 C ATOM 1041 C ALA A 383 7.361 -3.736 -6.035 1.00 0.00 C ATOM 1042 O ALA A 383 7.548 -2.526 -6.172 1.00 0.00 O ATOM 1043 CB ALA A 383 5.881 -4.594 -4.221 1.00 0.00 C ATOM 0 H ALA A 383 7.579 -2.661 -3.496 1.00 0.00 H new ATOM 0 HA ALA A 383 7.816 -5.341 -4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.364 -5.209 -4.957 1.00 0.00 H new ATOM 0 HB2 ALA A 383 5.871 -5.099 -3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 383 5.375 -3.632 -4.133 1.00 0.00 H new ATOM 1049 N TYR A 384 7.213 -4.559 -7.050 1.00 0.00 N ATOM 1050 CA TYR A 384 7.068 -4.069 -8.400 1.00 0.00 C ATOM 1051 C TYR A 384 5.651 -4.362 -8.862 1.00 0.00 C ATOM 1052 O TYR A 384 5.025 -5.303 -8.382 1.00 0.00 O ATOM 1053 CB TYR A 384 8.094 -4.710 -9.341 1.00 0.00 C ATOM 1054 CG TYR A 384 9.537 -4.370 -9.010 1.00 0.00 C ATOM 1055 CD1 TYR A 384 10.105 -3.160 -9.401 1.00 0.00 C ATOM 1056 CD2 TYR A 384 10.333 -5.265 -8.308 1.00 0.00 C ATOM 1057 CE1 TYR A 384 11.416 -2.863 -9.103 1.00 0.00 C ATOM 1058 CE2 TYR A 384 11.649 -4.967 -8.004 1.00 0.00 C ATOM 1059 CZ TYR A 384 12.183 -3.764 -8.405 1.00 0.00 C ATOM 1060 OH TYR A 384 13.488 -3.451 -8.101 1.00 0.00 O ATOM 0 H TYR A 384 7.190 -5.575 -6.963 1.00 0.00 H new ATOM 0 HA TYR A 384 7.252 -2.995 -8.419 1.00 0.00 H new ATOM 0 HB2 TYR A 384 7.971 -5.793 -9.312 1.00 0.00 H new ATOM 0 HB3 TYR A 384 7.882 -4.393 -10.362 1.00 0.00 H new ATOM 0 HD1 TYR A 384 9.508 -2.444 -9.946 1.00 0.00 H new ATOM 0 HD2 TYR A 384 9.917 -6.211 -7.994 1.00 0.00 H new ATOM 0 HE1 TYR A 384 11.841 -1.922 -9.418 1.00 0.00 H new ATOM 0 HE2 TYR A 384 12.254 -5.674 -7.455 1.00 0.00 H new ATOM 0 HH TYR A 384 13.507 -2.675 -7.502 1.00 0.00 H new ATOM 1070 N CYS A 385 5.139 -3.546 -9.767 1.00 0.00 N ATOM 1071 CA CYS A 385 3.770 -3.712 -10.248 1.00 0.00 C ATOM 1072 C CYS A 385 3.579 -5.053 -10.952 1.00 0.00 C ATOM 1073 O CYS A 385 4.541 -5.666 -11.408 1.00 0.00 O ATOM 1074 CB CYS A 385 3.381 -2.554 -11.173 1.00 0.00 C ATOM 1075 SG CYS A 385 4.627 -2.111 -12.415 1.00 0.00 S ATOM 0 H CYS A 385 5.644 -2.764 -10.184 1.00 0.00 H new ATOM 0 HA CYS A 385 3.111 -3.701 -9.380 1.00 0.00 H new ATOM 0 HB2 CYS A 385 2.455 -2.814 -11.686 1.00 0.00 H new ATOM 0 HB3 CYS A 385 3.171 -1.676 -10.562 1.00 0.00 H new ATOM 0 HG CYS A 385 5.138 -0.952 -12.123 1.00 0.00 H new ATOM 1080 N ASP A 386 2.327 -5.497 -11.027 1.00 0.00 N ATOM 1081 CA ASP A 386 1.987 -6.800 -11.611 1.00 0.00 C ATOM 1082 C ASP A 386 2.599 -6.978 -13.000 1.00 0.00 C ATOM 1083 O ASP A 386 3.232 -7.995 -13.278 1.00 0.00 O ATOM 1084 CB ASP A 386 0.463 -6.952 -11.696 1.00 0.00 C ATOM 1085 CG ASP A 386 0.038 -8.300 -12.245 1.00 0.00 C ATOM 1086 OD1 ASP A 386 -0.046 -8.445 -13.481 1.00 0.00 O ATOM 1087 OD2 ASP A 386 -0.243 -9.213 -11.443 1.00 0.00 O ATOM 0 H ASP A 386 1.521 -4.971 -10.688 1.00 0.00 H new ATOM 0 HA ASP A 386 2.402 -7.571 -10.961 1.00 0.00 H new ATOM 0 HB2 ASP A 386 0.033 -6.817 -10.704 1.00 0.00 H new ATOM 0 HB3 ASP A 386 0.058 -6.163 -12.329 1.00 0.00 H new ATOM 1092 N VAL A 387 2.452 -5.965 -13.849 1.00 0.00 N ATOM 1093 CA VAL A 387 2.961 -6.033 -15.218 1.00 0.00 C ATOM 1094 C VAL A 387 4.429 -5.611 -15.289 1.00 0.00 C ATOM 1095 O VAL A 387 4.984 -5.435 -16.369 1.00 0.00 O ATOM 1096 CB VAL A 387 2.137 -5.157 -16.183 1.00 0.00 C ATOM 1097 CG1 VAL A 387 0.708 -5.671 -16.283 1.00 0.00 C ATOM 1098 CG2 VAL A 387 2.151 -3.698 -15.742 1.00 0.00 C ATOM 0 H VAL A 387 1.986 -5.088 -13.615 1.00 0.00 H new ATOM 0 HA VAL A 387 2.870 -7.074 -15.527 1.00 0.00 H new ATOM 0 HB VAL A 387 2.596 -5.217 -17.170 1.00 0.00 H new ATOM 0 HG11 VAL A 387 0.142 -5.040 -16.968 1.00 0.00 H new ATOM 0 HG12 VAL A 387 0.715 -6.696 -16.655 1.00 0.00 H new ATOM 0 HG13 VAL A 387 0.242 -5.646 -15.298 1.00 0.00 H new ATOM 0 HG21 VAL A 387 1.563 -3.101 -16.439 1.00 0.00 H new ATOM 0 HG22 VAL A 387 1.723 -3.616 -14.743 1.00 0.00 H new ATOM 0 HG23 VAL A 387 3.178 -3.332 -15.728 1.00 0.00 H new ATOM 1108 N HIS A 388 5.043 -5.448 -14.128 1.00 0.00 N ATOM 1109 CA HIS A 388 6.467 -5.149 -14.052 1.00 0.00 C ATOM 1110 C HIS A 388 7.219 -6.468 -14.040 1.00 0.00 C ATOM 1111 O HIS A 388 8.411 -6.534 -14.334 1.00 0.00 O ATOM 1112 CB HIS A 388 6.769 -4.356 -12.782 1.00 0.00 C ATOM 1113 CG HIS A 388 7.944 -3.439 -12.884 1.00 0.00 C ATOM 1114 ND1 HIS A 388 7.855 -2.063 -12.666 1.00 0.00 N ATOM 1115 CD2 HIS A 388 9.248 -3.704 -13.133 1.00 0.00 C ATOM 1116 CE1 HIS A 388 9.081 -1.545 -12.782 1.00 0.00 C ATOM 1117 NE2 HIS A 388 9.926 -2.515 -13.062 1.00 0.00 N ATOM 0 H HIS A 388 4.578 -5.518 -13.223 1.00 0.00 H new ATOM 0 HA HIS A 388 6.776 -4.547 -14.907 1.00 0.00 H new ATOM 0 HB2 HIS A 388 5.889 -3.769 -12.518 1.00 0.00 H new ATOM 0 HB3 HIS A 388 6.942 -5.056 -11.965 1.00 0.00 H new ATOM 0 HD1 HIS A 388 7.003 -1.544 -12.455 1.00 0.00 H new ATOM 0 HD2 HIS A 388 9.675 -4.673 -13.348 1.00 0.00 H new ATOM 0 HE1 HIS A 388 9.337 -0.502 -12.665 1.00 0.00 H new ATOM 1125 N THR A 389 6.492 -7.509 -13.674 1.00 0.00 N ATOM 1126 CA THR A 389 6.984 -8.865 -13.723 1.00 0.00 C ATOM 1127 C THR A 389 6.225 -9.629 -14.802 1.00 0.00 C ATOM 1128 O THR A 389 5.103 -9.248 -15.122 1.00 0.00 O ATOM 1129 CB THR A 389 6.815 -9.560 -12.358 1.00 0.00 C ATOM 1130 OG1 THR A 389 5.514 -9.283 -11.818 1.00 0.00 O ATOM 1131 CG2 THR A 389 7.888 -9.094 -11.388 1.00 0.00 C ATOM 0 H THR A 389 5.534 -7.431 -13.332 1.00 0.00 H new ATOM 0 HA THR A 389 8.048 -8.851 -13.961 1.00 0.00 H new ATOM 0 HB THR A 389 6.917 -10.635 -12.504 1.00 0.00 H new ATOM 0 HG1 THR A 389 4.889 -9.097 -12.550 1.00 0.00 H new ATOM 0 HG21 THR A 389 7.754 -9.595 -10.429 1.00 0.00 H new ATOM 0 HG22 THR A 389 8.872 -9.337 -11.790 1.00 0.00 H new ATOM 0 HG23 THR A 389 7.809 -8.016 -11.249 1.00 0.00 H new ATOM 1139 N PRO A 390 6.833 -10.703 -15.358 1.00 0.00 N ATOM 1140 CA PRO A 390 6.309 -11.489 -16.483 1.00 0.00 C ATOM 1141 C PRO A 390 4.800 -11.407 -16.712 1.00 0.00 C ATOM 1142 O PRO A 390 4.024 -12.119 -16.069 1.00 0.00 O ATOM 1143 CB PRO A 390 6.715 -12.900 -16.074 1.00 0.00 C ATOM 1144 CG PRO A 390 8.006 -12.735 -15.328 1.00 0.00 C ATOM 1145 CD PRO A 390 8.111 -11.279 -14.918 1.00 0.00 C ATOM 0 HA PRO A 390 6.700 -11.127 -17.434 1.00 0.00 H new ATOM 0 HB2 PRO A 390 5.954 -13.363 -15.446 1.00 0.00 H new ATOM 0 HB3 PRO A 390 6.843 -13.542 -16.946 1.00 0.00 H new ATOM 0 HG2 PRO A 390 8.028 -13.383 -14.452 1.00 0.00 H new ATOM 0 HG3 PRO A 390 8.851 -13.019 -15.956 1.00 0.00 H new ATOM 0 HD2 PRO A 390 8.248 -11.174 -13.842 1.00 0.00 H new ATOM 0 HD3 PRO A 390 8.958 -10.788 -15.397 1.00 0.00 H new