USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 496 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 341 CYS SG : rot -114:sc= 1.4 USER MOD Set 1.2: A 346 CYS SG : rot -9:sc= 0.319 USER MOD Set 1.3: A 348 THR OG1 : rot 162:sc= 0.795 USER MOD Set 1.4: A 385 CYS SG : rot -63:sc= -1.13! USER MOD Set 1.5: A 388 HIS : no HE2:sc= -0.267 K(o=1.1,f=-5.4!) USER MOD Set 2.1: A 363 LYS NZ :NH3+ 158:sc= 2.32 (180deg=1) USER MOD Set 2.2: A 382 THR OG1 : rot -110:sc= 0.956 USER MOD Set 3.1: A 327 CYS SG : rot -97:sc= -0.183 USER MOD Set 3.2: A 330 CYS SG : rot -31:sc= -2.63! USER MOD Set 3.3: A 338 SER OG : rot 180:sc= 0 USER MOD Set 3.4: A 351 HIS : no HE2:sc= -2.2 K(o=-7.9,f=-21!) USER MOD Set 3.5: A 354 CYS SG : rot -147:sc= -2.87! USER MOD Set 4.1: A 353 THR OG1 : rot -169:sc= 0.801 USER MOD Set 4.2: A 357 LYS NZ :NH3+ -174:sc= 0.73 (180deg=-0.0371) USER MOD Single : A 326 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 328 TYR OH : rot -155:sc= 1.19 USER MOD Single : A 331 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 332 GLN : amide:sc= -1.89! C(o=-1.9!,f=-4.8!) USER MOD Single : A 333 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 GLN : amide:sc= -2.52! X(o=-2.5!,f=-2.2) USER MOD Single : A 342 HIS : no HE2:sc= -0.964 K(o=-0.96,f=-4!) USER MOD Single : A 343 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 345 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 347 TYR OH : rot 180:sc= 0 USER MOD Single : A 356 GLN : amide:sc= -0.359 X(o=-0.36,f=0) USER MOD Single : A 361 TYR OH : rot 180:sc= 0 USER MOD Single : A 362 MET CE :methyl 159:sc= -0.37 (180deg=-1.58) USER MOD Single : A 364 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 368 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 THR OG1 : rot 180:sc= -0.0865 USER MOD Single : A 375 THR OG1 : rot 180:sc= 0 USER MOD Single : A 376 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 TYR OH : rot 180:sc= 0 USER MOD Single : A 389 THR OG1 : rot 180:sc= 0.0139 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 325 -1.793 8.997 -5.448 1.00 0.00 N ATOM 160 CA LEU A 325 -1.670 8.364 -6.748 1.00 0.00 C ATOM 161 C LEU A 325 -2.773 7.324 -6.896 1.00 0.00 C ATOM 162 O LEU A 325 -3.140 6.662 -5.924 1.00 0.00 O ATOM 163 CB LEU A 325 -0.293 7.703 -6.916 1.00 0.00 C ATOM 164 CG LEU A 325 0.922 8.611 -6.683 1.00 0.00 C ATOM 165 CD1 LEU A 325 1.259 8.701 -5.199 1.00 0.00 C ATOM 166 CD2 LEU A 325 2.119 8.105 -7.471 1.00 0.00 C ATOM 0 HA LEU A 325 -1.768 9.124 -7.523 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -0.230 6.861 -6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -0.229 7.295 -7.925 1.00 0.00 H new ATOM 0 HG LEU A 325 0.671 9.612 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 325 2.124 9.350 -5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 325 0.407 9.111 -4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 325 1.488 7.706 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 325 2.973 8.759 -7.296 1.00 0.00 H new ATOM 0 HD22 LEU A 325 2.365 7.093 -7.149 1.00 0.00 H new ATOM 0 HD23 LEU A 325 1.879 8.099 -8.534 1.00 0.00 H new ATOM 178 N THR A 326 -3.314 7.190 -8.096 1.00 0.00 N ATOM 179 CA THR A 326 -4.399 6.253 -8.318 1.00 0.00 C ATOM 180 C THR A 326 -3.873 4.848 -8.590 1.00 0.00 C ATOM 181 O THR A 326 -2.931 4.652 -9.356 1.00 0.00 O ATOM 182 CB THR A 326 -5.316 6.693 -9.475 1.00 0.00 C ATOM 183 OG1 THR A 326 -5.735 8.049 -9.270 1.00 0.00 O ATOM 184 CG2 THR A 326 -6.539 5.781 -9.574 1.00 0.00 C ATOM 0 H THR A 326 -3.023 7.713 -8.922 1.00 0.00 H new ATOM 0 HA THR A 326 -4.987 6.241 -7.400 1.00 0.00 H new ATOM 0 HB THR A 326 -4.757 6.622 -10.408 1.00 0.00 H new ATOM 0 HG1 THR A 326 -6.317 8.327 -10.008 1.00 0.00 H new ATOM 0 HG21 THR A 326 -7.173 6.110 -10.398 1.00 0.00 H new ATOM 0 HG22 THR A 326 -6.215 4.756 -9.753 1.00 0.00 H new ATOM 0 HG23 THR A 326 -7.103 5.826 -8.642 1.00 0.00 H new ATOM 192 N CYS A 327 -4.494 3.888 -7.937 1.00 0.00 N ATOM 193 CA CYS A 327 -4.184 2.486 -8.119 1.00 0.00 C ATOM 194 C CYS A 327 -4.864 1.969 -9.385 1.00 0.00 C ATOM 195 O CYS A 327 -6.060 2.179 -9.570 1.00 0.00 O ATOM 196 CB CYS A 327 -4.671 1.735 -6.878 1.00 0.00 C ATOM 197 SG CYS A 327 -4.697 -0.068 -6.998 1.00 0.00 S ATOM 0 H CYS A 327 -5.235 4.061 -7.258 1.00 0.00 H new ATOM 0 HA CYS A 327 -3.111 2.333 -8.237 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -4.036 2.014 -6.037 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -5.679 2.078 -6.643 1.00 0.00 H new ATOM 0 HG CYS A 327 -5.894 -0.465 -7.315 1.00 0.00 H new ATOM 202 N TYR A 328 -4.107 1.315 -10.262 1.00 0.00 N ATOM 203 CA TYR A 328 -4.672 0.830 -11.517 1.00 0.00 C ATOM 204 C TYR A 328 -5.632 -0.334 -11.277 1.00 0.00 C ATOM 205 O TYR A 328 -6.650 -0.461 -11.957 1.00 0.00 O ATOM 206 CB TYR A 328 -3.574 0.454 -12.528 1.00 0.00 C ATOM 207 CG TYR A 328 -2.615 -0.627 -12.078 1.00 0.00 C ATOM 208 CD1 TYR A 328 -1.446 -0.311 -11.394 1.00 0.00 C ATOM 209 CD2 TYR A 328 -2.869 -1.963 -12.356 1.00 0.00 C ATOM 210 CE1 TYR A 328 -0.558 -1.296 -11.008 1.00 0.00 C ATOM 211 CE2 TYR A 328 -1.989 -2.952 -11.968 1.00 0.00 C ATOM 212 CZ TYR A 328 -0.835 -2.613 -11.294 1.00 0.00 C ATOM 213 OH TYR A 328 0.045 -3.599 -10.914 1.00 0.00 O ATOM 0 H TYR A 328 -3.116 1.111 -10.130 1.00 0.00 H new ATOM 0 HA TYR A 328 -5.245 1.648 -11.954 1.00 0.00 H new ATOM 0 HB2 TYR A 328 -4.052 0.129 -13.452 1.00 0.00 H new ATOM 0 HB3 TYR A 328 -2.999 1.350 -12.764 1.00 0.00 H new ATOM 0 HD1 TYR A 328 -1.229 0.721 -11.161 1.00 0.00 H new ATOM 0 HD2 TYR A 328 -3.771 -2.233 -12.885 1.00 0.00 H new ATOM 0 HE1 TYR A 328 0.349 -1.034 -10.484 1.00 0.00 H new ATOM 0 HE2 TYR A 328 -2.203 -3.987 -12.191 1.00 0.00 H new ATOM 0 HH TYR A 328 -0.060 -4.376 -11.503 1.00 0.00 H new ATOM 223 N LEU A 329 -5.314 -1.186 -10.304 1.00 0.00 N ATOM 224 CA LEU A 329 -6.240 -2.222 -9.867 1.00 0.00 C ATOM 225 C LEU A 329 -7.223 -1.618 -8.875 1.00 0.00 C ATOM 226 O LEU A 329 -6.895 -1.464 -7.692 1.00 0.00 O ATOM 227 CB LEU A 329 -5.497 -3.396 -9.224 1.00 0.00 C ATOM 228 CG LEU A 329 -4.594 -4.200 -10.160 1.00 0.00 C ATOM 229 CD1 LEU A 329 -3.836 -5.265 -9.377 1.00 0.00 C ATOM 230 CD2 LEU A 329 -5.409 -4.837 -11.278 1.00 0.00 C ATOM 0 H LEU A 329 -4.424 -1.177 -9.806 1.00 0.00 H new ATOM 0 HA LEU A 329 -6.775 -2.606 -10.736 1.00 0.00 H new ATOM 0 HB2 LEU A 329 -4.890 -3.013 -8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 329 -6.232 -4.073 -8.788 1.00 0.00 H new ATOM 0 HG LEU A 329 -3.871 -3.520 -10.611 1.00 0.00 H new ATOM 0 HD11 LEU A 329 -3.197 -5.830 -10.056 1.00 0.00 H new ATOM 0 HD12 LEU A 329 -3.222 -4.787 -8.614 1.00 0.00 H new ATOM 0 HD13 LEU A 329 -4.546 -5.941 -8.901 1.00 0.00 H new ATOM 0 HD21 LEU A 329 -4.747 -5.404 -11.933 1.00 0.00 H new ATOM 0 HD22 LEU A 329 -6.155 -5.505 -10.849 1.00 0.00 H new ATOM 0 HD23 LEU A 329 -5.908 -4.058 -11.854 1.00 0.00 H new ATOM 242 N CYS A 330 -8.407 -1.281 -9.375 1.00 0.00 N ATOM 243 CA CYS A 330 -9.412 -0.473 -8.672 1.00 0.00 C ATOM 244 C CYS A 330 -8.917 0.973 -8.547 1.00 0.00 C ATOM 245 O CYS A 330 -7.951 1.262 -7.832 1.00 0.00 O ATOM 246 CB CYS A 330 -9.836 -1.073 -7.310 1.00 0.00 C ATOM 247 SG CYS A 330 -8.716 -0.774 -5.913 1.00 0.00 S ATOM 0 H CYS A 330 -8.708 -1.568 -10.306 1.00 0.00 H new ATOM 0 HA CYS A 330 -10.322 -0.479 -9.272 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -10.818 -0.675 -7.052 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -9.950 -2.150 -7.432 1.00 0.00 H new ATOM 0 HG CYS A 330 -7.494 -0.686 -6.348 1.00 0.00 H new ATOM 252 N LYS A 331 -9.627 1.868 -9.239 1.00 0.00 N ATOM 253 CA LYS A 331 -9.182 3.240 -9.524 1.00 0.00 C ATOM 254 C LYS A 331 -9.410 4.170 -8.339 1.00 0.00 C ATOM 255 O LYS A 331 -9.576 5.379 -8.490 1.00 0.00 O ATOM 256 CB LYS A 331 -9.961 3.761 -10.732 1.00 0.00 C ATOM 257 CG LYS A 331 -11.456 3.896 -10.462 1.00 0.00 C ATOM 258 CD LYS A 331 -12.262 4.048 -11.738 1.00 0.00 C ATOM 259 CE LYS A 331 -11.840 5.267 -12.538 1.00 0.00 C ATOM 260 NZ LYS A 331 -12.610 5.380 -13.806 1.00 0.00 N ATOM 0 H LYS A 331 -10.547 1.657 -9.626 1.00 0.00 H new ATOM 0 HA LYS A 331 -8.111 3.220 -9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 331 -9.561 4.732 -11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 331 -9.809 3.086 -11.574 1.00 0.00 H new ATOM 0 HG2 LYS A 331 -11.805 3.019 -9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 331 -11.630 4.760 -9.820 1.00 0.00 H new ATOM 0 HD2 LYS A 331 -12.143 3.154 -12.350 1.00 0.00 H new ATOM 0 HD3 LYS A 331 -13.321 4.126 -11.490 1.00 0.00 H new ATOM 0 HE2 LYS A 331 -11.989 6.166 -11.939 1.00 0.00 H new ATOM 0 HE3 LYS A 331 -10.775 5.206 -12.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 331 -12.297 6.223 -14.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 331 -12.448 4.533 -14.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 331 -13.624 5.463 -13.590 1.00 0.00 H new ATOM 274 N GLN A 332 -9.358 3.592 -7.170 1.00 0.00 N ATOM 275 CA GLN A 332 -9.695 4.284 -5.942 1.00 0.00 C ATOM 276 C GLN A 332 -8.461 4.908 -5.309 1.00 0.00 C ATOM 277 O GLN A 332 -7.717 4.253 -4.573 1.00 0.00 O ATOM 278 CB GLN A 332 -10.352 3.312 -4.967 1.00 0.00 C ATOM 279 CG GLN A 332 -11.697 2.793 -5.446 1.00 0.00 C ATOM 280 CD GLN A 332 -12.017 1.426 -4.886 1.00 0.00 C ATOM 281 OE1 GLN A 332 -11.716 0.411 -5.504 1.00 0.00 O ATOM 282 NE2 GLN A 332 -12.611 1.388 -3.712 1.00 0.00 N ATOM 0 H GLN A 332 -9.079 2.620 -7.035 1.00 0.00 H new ATOM 0 HA GLN A 332 -10.394 5.086 -6.179 1.00 0.00 H new ATOM 0 HB2 GLN A 332 -9.683 2.467 -4.802 1.00 0.00 H new ATOM 0 HB3 GLN A 332 -10.484 3.807 -4.005 1.00 0.00 H new ATOM 0 HG2 GLN A 332 -12.479 3.494 -5.155 1.00 0.00 H new ATOM 0 HG3 GLN A 332 -11.699 2.747 -6.535 1.00 0.00 H new ATOM 0 HE21 GLN A 332 -12.845 2.256 -3.230 1.00 0.00 H new ATOM 0 HE22 GLN A 332 -12.838 0.490 -3.284 1.00 0.00 H new ATOM 291 N LYS A 333 -8.229 6.163 -5.633 1.00 0.00 N ATOM 292 CA LYS A 333 -7.142 6.915 -5.028 1.00 0.00 C ATOM 293 C LYS A 333 -7.548 7.414 -3.643 1.00 0.00 C ATOM 294 O LYS A 333 -8.559 8.102 -3.485 1.00 0.00 O ATOM 295 CB LYS A 333 -6.688 8.091 -5.917 1.00 0.00 C ATOM 296 CG LYS A 333 -7.761 9.132 -6.230 1.00 0.00 C ATOM 297 CD LYS A 333 -8.590 8.750 -7.445 1.00 0.00 C ATOM 298 CE LYS A 333 -9.587 9.841 -7.801 1.00 0.00 C ATOM 299 NZ LYS A 333 -10.426 9.459 -8.967 1.00 0.00 N ATOM 0 H LYS A 333 -8.779 6.688 -6.313 1.00 0.00 H new ATOM 0 HA LYS A 333 -6.292 6.240 -4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 333 -5.853 8.592 -5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 333 -6.312 7.688 -6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 333 -8.416 9.248 -5.367 1.00 0.00 H new ATOM 0 HG3 LYS A 333 -7.288 10.099 -6.403 1.00 0.00 H new ATOM 0 HD2 LYS A 333 -7.931 8.566 -8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 333 -9.122 7.819 -7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 333 -10.227 10.043 -6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 333 -9.052 10.764 -8.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 333 -11.094 10.227 -9.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 333 -9.817 9.290 -9.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 333 -10.955 8.592 -8.745 1.00 0.00 H new ATOM 313 N GLY A 334 -6.764 7.037 -2.640 1.00 0.00 N ATOM 314 CA GLY A 334 -7.030 7.464 -1.280 1.00 0.00 C ATOM 315 C GLY A 334 -8.158 6.690 -0.624 1.00 0.00 C ATOM 316 O GLY A 334 -9.270 7.197 -0.496 1.00 0.00 O ATOM 0 H GLY A 334 -5.944 6.440 -2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 334 -6.124 7.348 -0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 334 -7.278 8.525 -1.280 1.00 0.00 H new ATOM 320 N VAL A 335 -7.875 5.462 -0.200 1.00 0.00 N ATOM 321 CA VAL A 335 -8.866 4.641 0.493 1.00 0.00 C ATOM 322 C VAL A 335 -8.231 3.864 1.646 1.00 0.00 C ATOM 323 O VAL A 335 -8.783 3.810 2.743 1.00 0.00 O ATOM 324 CB VAL A 335 -9.590 3.653 -0.456 1.00 0.00 C ATOM 325 CG1 VAL A 335 -10.572 4.385 -1.355 1.00 0.00 C ATOM 326 CG2 VAL A 335 -8.595 2.863 -1.296 1.00 0.00 C ATOM 0 H VAL A 335 -6.968 5.012 -0.324 1.00 0.00 H new ATOM 0 HA VAL A 335 -9.609 5.334 0.887 1.00 0.00 H new ATOM 0 HB VAL A 335 -10.145 2.950 0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -11.067 3.670 -2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -11.318 4.892 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -10.037 5.119 -1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 335 -9.134 2.179 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 335 -8.001 3.550 -1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 335 -7.936 2.294 -0.640 1.00 0.00 H new ATOM 336 N GLY A 336 -7.068 3.267 1.396 1.00 0.00 N ATOM 337 CA GLY A 336 -6.387 2.515 2.428 1.00 0.00 C ATOM 338 C GLY A 336 -4.889 2.728 2.386 1.00 0.00 C ATOM 339 O GLY A 336 -4.369 3.659 3.002 1.00 0.00 O ATOM 0 H GLY A 336 -6.588 3.293 0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -6.769 2.812 3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -6.606 1.454 2.309 1.00 0.00 H new ATOM 343 N ALA A 337 -4.193 1.881 1.641 1.00 0.00 N ATOM 344 CA ALA A 337 -2.746 1.971 1.537 1.00 0.00 C ATOM 345 C ALA A 337 -2.300 1.655 0.119 1.00 0.00 C ATOM 346 O ALA A 337 -2.880 0.791 -0.543 1.00 0.00 O ATOM 347 CB ALA A 337 -2.079 1.031 2.530 1.00 0.00 C ATOM 0 H ALA A 337 -4.609 1.123 1.100 1.00 0.00 H new ATOM 0 HA ALA A 337 -2.443 2.990 1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 337 -0.996 1.112 2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 337 -2.378 1.300 3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 337 -2.385 0.006 2.322 1.00 0.00 H new ATOM 353 N SER A 338 -1.281 2.358 -0.347 1.00 0.00 N ATOM 354 CA SER A 338 -0.787 2.164 -1.695 1.00 0.00 C ATOM 355 C SER A 338 0.736 2.073 -1.694 1.00 0.00 C ATOM 356 O SER A 338 1.417 2.881 -1.062 1.00 0.00 O ATOM 357 CB SER A 338 -1.264 3.303 -2.605 1.00 0.00 C ATOM 358 OG SER A 338 -2.653 3.557 -2.424 1.00 0.00 O ATOM 0 H SER A 338 -0.782 3.067 0.190 1.00 0.00 H new ATOM 0 HA SER A 338 -1.185 1.226 -2.083 1.00 0.00 H new ATOM 0 HB2 SER A 338 -0.695 4.207 -2.389 1.00 0.00 H new ATOM 0 HB3 SER A 338 -1.071 3.046 -3.646 1.00 0.00 H new ATOM 0 HG SER A 338 -2.932 4.288 -3.014 1.00 0.00 H new ATOM 364 N ILE A 339 1.254 1.069 -2.380 1.00 0.00 N ATOM 365 CA ILE A 339 2.688 0.865 -2.499 1.00 0.00 C ATOM 366 C ILE A 339 3.108 1.170 -3.933 1.00 0.00 C ATOM 367 O ILE A 339 2.292 1.070 -4.853 1.00 0.00 O ATOM 368 CB ILE A 339 3.080 -0.583 -2.106 1.00 0.00 C ATOM 369 CG1 ILE A 339 4.602 -0.766 -2.128 1.00 0.00 C ATOM 370 CG2 ILE A 339 2.398 -1.593 -3.021 1.00 0.00 C ATOM 371 CD1 ILE A 339 5.057 -2.131 -1.656 1.00 0.00 C ATOM 0 H ILE A 339 0.693 0.372 -2.870 1.00 0.00 H new ATOM 0 HA ILE A 339 3.207 1.536 -1.815 1.00 0.00 H new ATOM 0 HB ILE A 339 2.737 -0.761 -1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 339 4.964 -0.603 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 339 5.060 -0.002 -1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 339 2.687 -2.602 -2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 339 1.316 -1.486 -2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 339 2.703 -1.414 -4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 339 6.145 -2.187 -1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 339 4.726 -2.290 -0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 339 4.628 -2.900 -2.299 1.00 0.00 H new ATOM 383 N GLN A 340 4.357 1.561 -4.131 1.00 0.00 N ATOM 384 CA GLN A 340 4.791 2.002 -5.440 1.00 0.00 C ATOM 385 C GLN A 340 5.863 1.083 -6.017 1.00 0.00 C ATOM 386 O GLN A 340 6.865 0.773 -5.363 1.00 0.00 O ATOM 387 CB GLN A 340 5.297 3.443 -5.368 1.00 0.00 C ATOM 388 CG GLN A 340 4.838 4.292 -6.540 1.00 0.00 C ATOM 389 CD GLN A 340 5.208 5.729 -6.414 1.00 0.00 C ATOM 390 OE1 GLN A 340 5.468 6.243 -5.325 1.00 0.00 O ATOM 391 NE2 GLN A 340 5.140 6.408 -7.523 1.00 0.00 N ATOM 0 H GLN A 340 5.078 1.581 -3.410 1.00 0.00 H new ATOM 0 HA GLN A 340 3.932 1.961 -6.110 1.00 0.00 H new ATOM 0 HB2 GLN A 340 4.951 3.898 -4.440 1.00 0.00 H new ATOM 0 HB3 GLN A 340 6.386 3.438 -5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 340 5.269 3.893 -7.458 1.00 0.00 H new ATOM 0 HG3 GLN A 340 3.755 4.211 -6.635 1.00 0.00 H new ATOM 0 HE21 GLN A 340 4.921 5.933 -8.399 1.00 0.00 H new ATOM 0 HE22 GLN A 340 5.306 7.414 -7.516 1.00 0.00 H new ATOM 400 N CYS A 341 5.612 0.631 -7.236 1.00 0.00 N ATOM 401 CA CYS A 341 6.575 -0.140 -8.008 1.00 0.00 C ATOM 402 C CYS A 341 7.811 0.696 -8.283 1.00 0.00 C ATOM 403 O CYS A 341 7.739 1.922 -8.344 1.00 0.00 O ATOM 404 CB CYS A 341 5.944 -0.586 -9.335 1.00 0.00 C ATOM 405 SG CYS A 341 7.116 -1.177 -10.596 1.00 0.00 S ATOM 0 H CYS A 341 4.729 0.790 -7.721 1.00 0.00 H new ATOM 0 HA CYS A 341 6.863 -1.021 -7.434 1.00 0.00 H new ATOM 0 HB2 CYS A 341 5.227 -1.381 -9.128 1.00 0.00 H new ATOM 0 HB3 CYS A 341 5.381 0.250 -9.750 1.00 0.00 H new ATOM 0 HG CYS A 341 7.116 -0.358 -11.606 1.00 0.00 H new ATOM 410 N HIS A 342 8.932 0.027 -8.465 1.00 0.00 N ATOM 411 CA HIS A 342 10.180 0.707 -8.747 1.00 0.00 C ATOM 412 C HIS A 342 10.949 -0.076 -9.815 1.00 0.00 C ATOM 413 O HIS A 342 10.360 -0.916 -10.500 1.00 0.00 O ATOM 414 CB HIS A 342 11.007 0.875 -7.452 1.00 0.00 C ATOM 415 CG HIS A 342 11.754 -0.355 -7.036 1.00 0.00 C ATOM 416 ND1 HIS A 342 11.194 -1.608 -7.042 1.00 0.00 N ATOM 417 CD2 HIS A 342 13.053 -0.528 -6.692 1.00 0.00 C ATOM 418 CE1 HIS A 342 12.112 -2.492 -6.739 1.00 0.00 C ATOM 419 NE2 HIS A 342 13.250 -1.869 -6.518 1.00 0.00 N ATOM 0 H HIS A 342 9.004 -0.990 -8.422 1.00 0.00 H new ATOM 0 HA HIS A 342 9.978 1.707 -9.131 1.00 0.00 H new ATOM 0 HB2 HIS A 342 11.719 1.689 -7.592 1.00 0.00 H new ATOM 0 HB3 HIS A 342 10.339 1.171 -6.643 1.00 0.00 H new ATOM 0 HD1 HIS A 342 10.218 -1.818 -7.250 1.00 0.00 H new ATOM 0 HD2 HIS A 342 13.794 0.249 -6.577 1.00 0.00 H new ATOM 0 HE1 HIS A 342 11.960 -3.560 -6.680 1.00 0.00 H new ATOM 428 N LYS A 343 12.255 0.190 -9.897 1.00 0.00 N ATOM 429 CA LYS A 343 13.178 -0.368 -10.900 1.00 0.00 C ATOM 430 C LYS A 343 14.225 0.687 -11.232 1.00 0.00 C ATOM 431 O LYS A 343 15.364 0.613 -10.773 1.00 0.00 O ATOM 432 CB LYS A 343 12.477 -0.798 -12.200 1.00 0.00 C ATOM 433 CG LYS A 343 13.396 -1.478 -13.203 1.00 0.00 C ATOM 434 CD LYS A 343 13.972 -2.771 -12.646 1.00 0.00 C ATOM 435 CE LYS A 343 14.910 -3.428 -13.646 1.00 0.00 C ATOM 436 NZ LYS A 343 15.549 -4.651 -13.094 1.00 0.00 N ATOM 0 H LYS A 343 12.720 0.822 -9.245 1.00 0.00 H new ATOM 0 HA LYS A 343 13.625 -1.264 -10.468 1.00 0.00 H new ATOM 0 HB2 LYS A 343 11.660 -1.476 -11.953 1.00 0.00 H new ATOM 0 HB3 LYS A 343 12.032 0.080 -12.668 1.00 0.00 H new ATOM 0 HG2 LYS A 343 12.844 -1.690 -14.119 1.00 0.00 H new ATOM 0 HG3 LYS A 343 14.208 -0.802 -13.470 1.00 0.00 H new ATOM 0 HD2 LYS A 343 14.509 -2.564 -11.720 1.00 0.00 H new ATOM 0 HD3 LYS A 343 13.162 -3.457 -12.398 1.00 0.00 H new ATOM 0 HE2 LYS A 343 14.355 -3.685 -14.548 1.00 0.00 H new ATOM 0 HE3 LYS A 343 15.682 -2.717 -13.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 343 16.180 -5.066 -13.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 343 16.101 -4.403 -12.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 343 14.814 -5.341 -12.838 1.00 0.00 H new ATOM 450 N ALA A 344 13.810 1.674 -12.022 1.00 0.00 N ATOM 451 CA ALA A 344 14.660 2.803 -12.377 1.00 0.00 C ATOM 452 C ALA A 344 13.824 3.945 -12.952 1.00 0.00 C ATOM 453 O ALA A 344 13.886 5.074 -12.474 1.00 0.00 O ATOM 454 CB ALA A 344 15.735 2.382 -13.371 1.00 0.00 C ATOM 0 H ALA A 344 12.877 1.712 -12.432 1.00 0.00 H new ATOM 0 HA ALA A 344 15.151 3.154 -11.469 1.00 0.00 H new ATOM 0 HB1 ALA A 344 16.357 3.242 -13.621 1.00 0.00 H new ATOM 0 HB2 ALA A 344 16.355 1.602 -12.928 1.00 0.00 H new ATOM 0 HB3 ALA A 344 15.264 2.000 -14.277 1.00 0.00 H new ATOM 460 N ASN A 345 13.034 3.640 -13.976 1.00 0.00 N ATOM 461 CA ASN A 345 12.210 4.651 -14.640 1.00 0.00 C ATOM 462 C ASN A 345 10.730 4.298 -14.553 1.00 0.00 C ATOM 463 O ASN A 345 9.931 4.720 -15.385 1.00 0.00 O ATOM 464 CB ASN A 345 12.617 4.800 -16.111 1.00 0.00 C ATOM 465 CG ASN A 345 13.967 5.469 -16.290 1.00 0.00 C ATOM 466 OD1 ASN A 345 14.063 6.696 -16.339 1.00 0.00 O ATOM 467 ND2 ASN A 345 15.016 4.673 -16.415 1.00 0.00 N ATOM 0 H ASN A 345 12.945 2.702 -14.366 1.00 0.00 H new ATOM 0 HA ASN A 345 12.374 5.598 -14.125 1.00 0.00 H new ATOM 0 HB2 ASN A 345 12.642 3.815 -16.577 1.00 0.00 H new ATOM 0 HB3 ASN A 345 11.858 5.381 -16.635 1.00 0.00 H new ATOM 0 HD21 ASN A 345 15.944 5.071 -16.557 1.00 0.00 H new ATOM 0 HD22 ASN A 345 14.897 3.661 -16.369 1.00 0.00 H new ATOM 474 N CYS A 346 10.363 3.537 -13.534 1.00 0.00 N ATOM 475 CA CYS A 346 8.981 3.121 -13.361 1.00 0.00 C ATOM 476 C CYS A 346 8.564 3.222 -11.906 1.00 0.00 C ATOM 477 O CYS A 346 9.133 2.554 -11.042 1.00 0.00 O ATOM 478 CB CYS A 346 8.787 1.686 -13.856 1.00 0.00 C ATOM 479 SG CYS A 346 7.170 0.967 -13.458 1.00 0.00 S ATOM 0 H CYS A 346 11.002 3.196 -12.816 1.00 0.00 H new ATOM 0 HA CYS A 346 8.354 3.789 -13.951 1.00 0.00 H new ATOM 0 HB2 CYS A 346 8.923 1.666 -14.937 1.00 0.00 H new ATOM 0 HB3 CYS A 346 9.566 1.058 -13.425 1.00 0.00 H new ATOM 0 HG CYS A 346 6.532 1.756 -12.645 1.00 0.00 H new ATOM 484 N TYR A 347 7.579 4.065 -11.646 1.00 0.00 N ATOM 485 CA TYR A 347 6.995 4.186 -10.322 1.00 0.00 C ATOM 486 C TYR A 347 5.484 4.039 -10.411 1.00 0.00 C ATOM 487 O TYR A 347 4.761 5.015 -10.618 1.00 0.00 O ATOM 488 CB TYR A 347 7.369 5.520 -9.674 1.00 0.00 C ATOM 489 CG TYR A 347 8.824 5.617 -9.281 1.00 0.00 C ATOM 490 CD1 TYR A 347 9.402 4.645 -8.480 1.00 0.00 C ATOM 491 CD2 TYR A 347 9.618 6.673 -9.713 1.00 0.00 C ATOM 492 CE1 TYR A 347 10.732 4.718 -8.117 1.00 0.00 C ATOM 493 CE2 TYR A 347 10.949 6.754 -9.355 1.00 0.00 C ATOM 494 CZ TYR A 347 11.501 5.777 -8.556 1.00 0.00 C ATOM 495 OH TYR A 347 12.828 5.853 -8.200 1.00 0.00 O ATOM 0 H TYR A 347 7.163 4.682 -12.344 1.00 0.00 H new ATOM 0 HA TYR A 347 7.394 3.390 -9.693 1.00 0.00 H new ATOM 0 HB2 TYR A 347 7.134 6.329 -10.366 1.00 0.00 H new ATOM 0 HB3 TYR A 347 6.752 5.669 -8.788 1.00 0.00 H new ATOM 0 HD1 TYR A 347 8.802 3.816 -8.134 1.00 0.00 H new ATOM 0 HD2 TYR A 347 9.187 7.441 -10.338 1.00 0.00 H new ATOM 0 HE1 TYR A 347 11.168 3.951 -7.494 1.00 0.00 H new ATOM 0 HE2 TYR A 347 11.554 7.579 -9.700 1.00 0.00 H new ATOM 0 HH TYR A 347 13.226 6.658 -8.592 1.00 0.00 H new ATOM 505 N THR A 348 5.023 2.807 -10.275 1.00 0.00 N ATOM 506 CA THR A 348 3.613 2.482 -10.454 1.00 0.00 C ATOM 507 C THR A 348 2.915 2.375 -9.105 1.00 0.00 C ATOM 508 O THR A 348 3.402 1.694 -8.209 1.00 0.00 O ATOM 509 CB THR A 348 3.452 1.145 -11.202 1.00 0.00 C ATOM 510 OG1 THR A 348 4.526 0.976 -12.143 1.00 0.00 O ATOM 511 CG2 THR A 348 2.120 1.095 -11.935 1.00 0.00 C ATOM 0 H THR A 348 5.609 2.006 -10.039 1.00 0.00 H new ATOM 0 HA THR A 348 3.161 3.282 -11.039 1.00 0.00 H new ATOM 0 HB THR A 348 3.479 0.338 -10.470 1.00 0.00 H new ATOM 0 HG1 THR A 348 4.587 0.033 -12.404 1.00 0.00 H new ATOM 0 HG21 THR A 348 2.027 0.142 -12.456 1.00 0.00 H new ATOM 0 HG22 THR A 348 1.306 1.197 -11.217 1.00 0.00 H new ATOM 0 HG23 THR A 348 2.071 1.910 -12.657 1.00 0.00 H new ATOM 519 N ALA A 349 1.777 3.034 -8.959 1.00 0.00 N ATOM 520 CA ALA A 349 1.072 3.039 -7.686 1.00 0.00 C ATOM 521 C ALA A 349 -0.091 2.056 -7.684 1.00 0.00 C ATOM 522 O ALA A 349 -0.904 2.030 -8.611 1.00 0.00 O ATOM 523 CB ALA A 349 0.576 4.435 -7.366 1.00 0.00 C ATOM 0 H ALA A 349 1.324 3.569 -9.700 1.00 0.00 H new ATOM 0 HA ALA A 349 1.776 2.723 -6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 349 0.050 4.424 -6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 349 1.424 5.118 -7.306 1.00 0.00 H new ATOM 0 HB3 ALA A 349 -0.103 4.768 -8.150 1.00 0.00 H new ATOM 529 N PHE A 350 -0.154 1.243 -6.640 1.00 0.00 N ATOM 530 CA PHE A 350 -1.236 0.288 -6.468 1.00 0.00 C ATOM 531 C PHE A 350 -1.408 -0.055 -4.993 1.00 0.00 C ATOM 532 O PHE A 350 -0.476 0.077 -4.207 1.00 0.00 O ATOM 533 CB PHE A 350 -0.991 -0.979 -7.302 1.00 0.00 C ATOM 534 CG PHE A 350 0.398 -1.546 -7.188 1.00 0.00 C ATOM 535 CD1 PHE A 350 1.439 -1.017 -7.933 1.00 0.00 C ATOM 536 CD2 PHE A 350 0.661 -2.618 -6.353 1.00 0.00 C ATOM 537 CE1 PHE A 350 2.713 -1.541 -7.844 1.00 0.00 C ATOM 538 CE2 PHE A 350 1.934 -3.147 -6.260 1.00 0.00 C ATOM 539 CZ PHE A 350 2.962 -2.608 -7.009 1.00 0.00 C ATOM 0 H PHE A 350 0.540 1.227 -5.893 1.00 0.00 H new ATOM 0 HA PHE A 350 -2.158 0.746 -6.826 1.00 0.00 H new ATOM 0 HB2 PHE A 350 -1.707 -1.742 -6.997 1.00 0.00 H new ATOM 0 HB3 PHE A 350 -1.192 -0.753 -8.349 1.00 0.00 H new ATOM 0 HD1 PHE A 350 1.251 -0.183 -8.593 1.00 0.00 H new ATOM 0 HD2 PHE A 350 -0.139 -3.046 -5.767 1.00 0.00 H new ATOM 0 HE1 PHE A 350 3.514 -1.114 -8.429 1.00 0.00 H new ATOM 0 HE2 PHE A 350 2.125 -3.982 -5.602 1.00 0.00 H new ATOM 0 HZ PHE A 350 3.957 -3.022 -6.940 1.00 0.00 H new ATOM 549 N HIS A 351 -2.605 -0.482 -4.618 1.00 0.00 N ATOM 550 CA HIS A 351 -2.902 -0.767 -3.219 1.00 0.00 C ATOM 551 C HIS A 351 -2.173 -2.016 -2.757 1.00 0.00 C ATOM 552 O HIS A 351 -1.961 -2.942 -3.541 1.00 0.00 O ATOM 553 CB HIS A 351 -4.402 -0.956 -2.989 1.00 0.00 C ATOM 554 CG HIS A 351 -5.240 0.221 -3.363 1.00 0.00 C ATOM 555 ND1 HIS A 351 -6.238 0.156 -4.323 1.00 0.00 N ATOM 556 CD2 HIS A 351 -5.273 1.482 -2.864 1.00 0.00 C ATOM 557 CE1 HIS A 351 -6.850 1.333 -4.386 1.00 0.00 C ATOM 558 NE2 HIS A 351 -6.283 2.148 -3.518 1.00 0.00 N ATOM 0 H HIS A 351 -3.384 -0.639 -5.258 1.00 0.00 H new ATOM 0 HA HIS A 351 -2.562 0.093 -2.641 1.00 0.00 H new ATOM 0 HB2 HIS A 351 -4.738 -1.821 -3.561 1.00 0.00 H new ATOM 0 HB3 HIS A 351 -4.569 -1.185 -1.936 1.00 0.00 H new ATOM 0 HD1 HIS A 351 -6.465 -0.662 -4.888 1.00 0.00 H new ATOM 0 HD2 HIS A 351 -4.628 1.886 -2.098 1.00 0.00 H new ATOM 0 HE1 HIS A 351 -7.674 1.581 -5.039 1.00 0.00 H new ATOM 566 N VAL A 352 -1.820 -2.044 -1.481 1.00 0.00 N ATOM 567 CA VAL A 352 -1.140 -3.190 -0.895 1.00 0.00 C ATOM 568 C VAL A 352 -2.021 -4.437 -0.992 1.00 0.00 C ATOM 569 O VAL A 352 -1.537 -5.534 -1.282 1.00 0.00 O ATOM 570 CB VAL A 352 -0.764 -2.924 0.581 1.00 0.00 C ATOM 571 CG1 VAL A 352 -0.014 -4.107 1.178 1.00 0.00 C ATOM 572 CG2 VAL A 352 0.061 -1.650 0.698 1.00 0.00 C ATOM 0 H VAL A 352 -1.995 -1.281 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 352 -0.221 -3.356 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 352 -1.686 -2.793 1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 352 0.238 -3.892 2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 352 -0.643 -4.996 1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 352 0.901 -4.281 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 352 0.317 -1.477 1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 352 0.975 -1.753 0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 352 -0.517 -0.806 0.322 1.00 0.00 H new ATOM 582 N THR A 353 -3.321 -4.256 -0.783 1.00 0.00 N ATOM 583 CA THR A 353 -4.269 -5.358 -0.887 1.00 0.00 C ATOM 584 C THR A 353 -4.395 -5.829 -2.336 1.00 0.00 C ATOM 585 O THR A 353 -4.590 -7.012 -2.593 1.00 0.00 O ATOM 586 CB THR A 353 -5.667 -4.976 -0.329 1.00 0.00 C ATOM 587 OG1 THR A 353 -6.551 -6.103 -0.396 1.00 0.00 O ATOM 588 CG2 THR A 353 -6.273 -3.809 -1.098 1.00 0.00 C ATOM 0 H THR A 353 -3.741 -3.358 -0.541 1.00 0.00 H new ATOM 0 HA THR A 353 -3.878 -6.174 -0.279 1.00 0.00 H new ATOM 0 HB THR A 353 -5.537 -4.673 0.710 1.00 0.00 H new ATOM 0 HG1 THR A 353 -7.468 -5.811 -0.208 1.00 0.00 H new ATOM 0 HG21 THR A 353 -7.251 -3.568 -0.682 1.00 0.00 H new ATOM 0 HG22 THR A 353 -5.619 -2.941 -1.016 1.00 0.00 H new ATOM 0 HG23 THR A 353 -6.383 -4.083 -2.147 1.00 0.00 H new ATOM 596 N CYS A 354 -4.245 -4.904 -3.282 1.00 0.00 N ATOM 597 CA CYS A 354 -4.350 -5.238 -4.698 1.00 0.00 C ATOM 598 C CYS A 354 -3.148 -6.060 -5.141 1.00 0.00 C ATOM 599 O CYS A 354 -3.273 -6.983 -5.945 1.00 0.00 O ATOM 600 CB CYS A 354 -4.451 -3.965 -5.544 1.00 0.00 C ATOM 601 SG CYS A 354 -5.863 -2.906 -5.134 1.00 0.00 S ATOM 0 H CYS A 354 -4.051 -3.921 -3.093 1.00 0.00 H new ATOM 0 HA CYS A 354 -5.254 -5.829 -4.843 1.00 0.00 H new ATOM 0 HB2 CYS A 354 -3.533 -3.389 -5.424 1.00 0.00 H new ATOM 0 HB3 CYS A 354 -4.516 -4.246 -6.595 1.00 0.00 H new ATOM 0 HG CYS A 354 -6.284 -2.308 -6.209 1.00 0.00 H new ATOM 606 N ALA A 355 -1.988 -5.725 -4.596 1.00 0.00 N ATOM 607 CA ALA A 355 -0.755 -6.413 -4.935 1.00 0.00 C ATOM 608 C ALA A 355 -0.788 -7.856 -4.461 1.00 0.00 C ATOM 609 O ALA A 355 -0.470 -8.775 -5.216 1.00 0.00 O ATOM 610 CB ALA A 355 0.426 -5.685 -4.323 1.00 0.00 C ATOM 0 H ALA A 355 -1.877 -4.976 -3.913 1.00 0.00 H new ATOM 0 HA ALA A 355 -0.650 -6.418 -6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 355 1.348 -6.206 -4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 355 0.465 -4.666 -4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 355 0.315 -5.659 -3.239 1.00 0.00 H new ATOM 616 N GLN A 356 -1.183 -8.051 -3.212 1.00 0.00 N ATOM 617 CA GLN A 356 -1.284 -9.388 -2.648 1.00 0.00 C ATOM 618 C GLN A 356 -2.446 -10.143 -3.284 1.00 0.00 C ATOM 619 O GLN A 356 -2.456 -11.372 -3.328 1.00 0.00 O ATOM 620 CB GLN A 356 -1.469 -9.314 -1.133 1.00 0.00 C ATOM 621 CG GLN A 356 -0.307 -8.647 -0.417 1.00 0.00 C ATOM 622 CD GLN A 356 -0.503 -8.607 1.084 1.00 0.00 C ATOM 623 OE1 GLN A 356 -0.112 -9.532 1.797 1.00 0.00 O ATOM 624 NE2 GLN A 356 -1.111 -7.537 1.576 1.00 0.00 N ATOM 0 H GLN A 356 -1.439 -7.301 -2.570 1.00 0.00 H new ATOM 0 HA GLN A 356 -0.359 -9.925 -2.860 1.00 0.00 H new ATOM 0 HB2 GLN A 356 -2.385 -8.766 -0.912 1.00 0.00 H new ATOM 0 HB3 GLN A 356 -1.598 -10.323 -0.740 1.00 0.00 H new ATOM 0 HG2 GLN A 356 0.614 -9.183 -0.647 1.00 0.00 H new ATOM 0 HG3 GLN A 356 -0.187 -7.631 -0.793 1.00 0.00 H new ATOM 0 HE21 GLN A 356 -1.419 -6.793 0.950 1.00 0.00 H new ATOM 0 HE22 GLN A 356 -1.270 -7.458 2.580 1.00 0.00 H new ATOM 633 N LYS A 357 -3.420 -9.391 -3.781 1.00 0.00 N ATOM 634 CA LYS A 357 -4.579 -9.972 -4.444 1.00 0.00 C ATOM 635 C LYS A 357 -4.174 -10.555 -5.791 1.00 0.00 C ATOM 636 O LYS A 357 -4.589 -11.658 -6.151 1.00 0.00 O ATOM 637 CB LYS A 357 -5.658 -8.905 -4.644 1.00 0.00 C ATOM 638 CG LYS A 357 -7.080 -9.443 -4.621 1.00 0.00 C ATOM 639 CD LYS A 357 -7.436 -10.042 -3.264 1.00 0.00 C ATOM 640 CE LYS A 357 -7.185 -9.066 -2.115 1.00 0.00 C ATOM 641 NZ LYS A 357 -7.906 -7.776 -2.294 1.00 0.00 N ATOM 0 H LYS A 357 -3.429 -8.372 -3.737 1.00 0.00 H new ATOM 0 HA LYS A 357 -4.978 -10.770 -3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 357 -5.555 -8.150 -3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 357 -5.486 -8.405 -5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 357 -7.777 -8.639 -4.858 1.00 0.00 H new ATOM 0 HG3 LYS A 357 -7.194 -10.202 -5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 357 -8.485 -10.338 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 357 -6.850 -10.947 -3.104 1.00 0.00 H new ATOM 0 HE2 LYS A 357 -7.497 -9.526 -1.177 1.00 0.00 H new ATOM 0 HE3 LYS A 357 -6.115 -8.872 -2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 357 -7.624 -7.114 -1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 357 -7.667 -7.371 -3.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 357 -8.931 -7.941 -2.242 1.00 0.00 H new ATOM 655 N ALA A 358 -3.361 -9.804 -6.529 1.00 0.00 N ATOM 656 CA ALA A 358 -2.875 -10.248 -7.829 1.00 0.00 C ATOM 657 C ALA A 358 -1.758 -11.274 -7.670 1.00 0.00 C ATOM 658 O ALA A 358 -1.605 -12.177 -8.495 1.00 0.00 O ATOM 659 CB ALA A 358 -2.392 -9.059 -8.648 1.00 0.00 C ATOM 0 H ALA A 358 -3.025 -8.883 -6.247 1.00 0.00 H new ATOM 0 HA ALA A 358 -3.701 -10.724 -8.358 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -2.032 -9.406 -9.616 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -3.216 -8.361 -8.796 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -1.582 -8.557 -8.118 1.00 0.00 H new ATOM 665 N GLY A 359 -0.979 -11.129 -6.607 1.00 0.00 N ATOM 666 CA GLY A 359 0.088 -12.069 -6.334 1.00 0.00 C ATOM 667 C GLY A 359 1.379 -11.691 -7.026 1.00 0.00 C ATOM 668 O GLY A 359 2.082 -12.551 -7.559 1.00 0.00 O ATOM 0 H GLY A 359 -1.068 -10.374 -5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 359 0.257 -12.121 -5.258 1.00 0.00 H new ATOM 0 HA3 GLY A 359 -0.217 -13.064 -6.657 1.00 0.00 H new ATOM 672 N LEU A 360 1.694 -10.405 -7.025 1.00 0.00 N ATOM 673 CA LEU A 360 2.909 -9.923 -7.668 1.00 0.00 C ATOM 674 C LEU A 360 4.095 -9.975 -6.706 1.00 0.00 C ATOM 675 O LEU A 360 3.923 -10.241 -5.515 1.00 0.00 O ATOM 676 CB LEU A 360 2.700 -8.504 -8.224 1.00 0.00 C ATOM 677 CG LEU A 360 2.170 -7.457 -7.236 1.00 0.00 C ATOM 678 CD1 LEU A 360 3.288 -6.907 -6.362 1.00 0.00 C ATOM 679 CD2 LEU A 360 1.483 -6.330 -7.988 1.00 0.00 C ATOM 0 H LEU A 360 1.128 -9.678 -6.588 1.00 0.00 H new ATOM 0 HA LEU A 360 3.138 -10.581 -8.506 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.651 -8.149 -8.621 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.007 -8.564 -9.063 1.00 0.00 H new ATOM 0 HG LEU A 360 1.445 -7.943 -6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 360 2.881 -6.167 -5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 360 3.741 -7.721 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 360 4.045 -6.438 -6.991 1.00 0.00 H new ATOM 0 HD21 LEU A 360 1.111 -5.592 -7.277 1.00 0.00 H new ATOM 0 HD22 LEU A 360 2.195 -5.856 -8.663 1.00 0.00 H new ATOM 0 HD23 LEU A 360 0.649 -6.732 -8.564 1.00 0.00 H new ATOM 691 N TYR A 361 5.291 -9.725 -7.229 1.00 0.00 N ATOM 692 CA TYR A 361 6.514 -9.788 -6.435 1.00 0.00 C ATOM 693 C TYR A 361 6.535 -8.715 -5.350 1.00 0.00 C ATOM 694 O TYR A 361 6.547 -7.517 -5.639 1.00 0.00 O ATOM 695 CB TYR A 361 7.739 -9.638 -7.343 1.00 0.00 C ATOM 696 CG TYR A 361 9.061 -9.648 -6.604 1.00 0.00 C ATOM 697 CD1 TYR A 361 9.666 -10.845 -6.237 1.00 0.00 C ATOM 698 CD2 TYR A 361 9.702 -8.462 -6.274 1.00 0.00 C ATOM 699 CE1 TYR A 361 10.873 -10.855 -5.564 1.00 0.00 C ATOM 700 CE2 TYR A 361 10.908 -8.465 -5.604 1.00 0.00 C ATOM 701 CZ TYR A 361 11.489 -9.662 -5.250 1.00 0.00 C ATOM 702 OH TYR A 361 12.690 -9.665 -4.579 1.00 0.00 O ATOM 0 H TYR A 361 5.440 -9.475 -8.207 1.00 0.00 H new ATOM 0 HA TYR A 361 6.542 -10.761 -5.944 1.00 0.00 H new ATOM 0 HB2 TYR A 361 7.737 -10.447 -8.074 1.00 0.00 H new ATOM 0 HB3 TYR A 361 7.653 -8.705 -7.900 1.00 0.00 H new ATOM 0 HD1 TYR A 361 9.186 -11.781 -6.482 1.00 0.00 H new ATOM 0 HD2 TYR A 361 9.249 -7.520 -6.546 1.00 0.00 H new ATOM 0 HE1 TYR A 361 11.331 -11.792 -5.285 1.00 0.00 H new ATOM 0 HE2 TYR A 361 11.394 -7.532 -5.358 1.00 0.00 H new ATOM 0 HH TYR A 361 12.988 -8.742 -4.437 1.00 0.00 H new ATOM 712 N MET A 362 6.545 -9.160 -4.103 1.00 0.00 N ATOM 713 CA MET A 362 6.632 -8.256 -2.967 1.00 0.00 C ATOM 714 C MET A 362 7.736 -8.693 -2.016 1.00 0.00 C ATOM 715 O MET A 362 7.682 -9.781 -1.438 1.00 0.00 O ATOM 716 CB MET A 362 5.300 -8.207 -2.219 1.00 0.00 C ATOM 717 CG MET A 362 4.591 -6.868 -2.319 1.00 0.00 C ATOM 718 SD MET A 362 3.056 -6.826 -1.374 1.00 0.00 S ATOM 719 CE MET A 362 2.565 -5.122 -1.614 1.00 0.00 C ATOM 0 H MET A 362 6.494 -10.147 -3.851 1.00 0.00 H new ATOM 0 HA MET A 362 6.865 -7.261 -3.345 1.00 0.00 H new ATOM 0 HB2 MET A 362 4.645 -8.985 -2.611 1.00 0.00 H new ATOM 0 HB3 MET A 362 5.475 -8.437 -1.168 1.00 0.00 H new ATOM 0 HG2 MET A 362 5.255 -6.081 -1.961 1.00 0.00 H new ATOM 0 HG3 MET A 362 4.375 -6.652 -3.365 1.00 0.00 H new ATOM 0 HE1 MET A 362 1.496 -5.022 -1.428 1.00 0.00 H new ATOM 0 HE2 MET A 362 3.115 -4.484 -0.922 1.00 0.00 H new ATOM 0 HE3 MET A 362 2.785 -4.821 -2.638 1.00 0.00 H new ATOM 729 N LYS A 363 8.746 -7.851 -1.869 1.00 0.00 N ATOM 730 CA LYS A 363 9.822 -8.110 -0.931 1.00 0.00 C ATOM 731 C LYS A 363 9.820 -7.029 0.148 1.00 0.00 C ATOM 732 O LYS A 363 9.551 -5.861 -0.139 1.00 0.00 O ATOM 733 CB LYS A 363 11.167 -8.166 -1.669 1.00 0.00 C ATOM 734 CG LYS A 363 12.333 -8.597 -0.792 1.00 0.00 C ATOM 735 CD LYS A 363 13.278 -7.446 -0.495 1.00 0.00 C ATOM 736 CE LYS A 363 14.093 -7.052 -1.718 1.00 0.00 C ATOM 737 NZ LYS A 363 14.937 -5.855 -1.455 1.00 0.00 N ATOM 0 H LYS A 363 8.842 -6.979 -2.390 1.00 0.00 H new ATOM 0 HA LYS A 363 9.670 -9.077 -0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 363 11.082 -8.856 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 363 11.383 -7.182 -2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 363 11.951 -9.003 0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 363 12.882 -9.398 -1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 363 12.705 -6.586 -0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 363 13.951 -7.728 0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 363 14.728 -7.886 -2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 363 13.422 -6.848 -2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 15.726 -5.831 -2.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 14.363 -4.995 -1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 15.313 -5.901 -0.486 1.00 0.00 H new ATOM 751 N MET A 364 10.115 -7.419 1.378 1.00 0.00 N ATOM 752 CA MET A 364 10.005 -6.537 2.527 1.00 0.00 C ATOM 753 C MET A 364 11.019 -6.967 3.561 1.00 0.00 C ATOM 754 O MET A 364 10.937 -8.062 4.119 1.00 0.00 O ATOM 755 CB MET A 364 8.596 -6.562 3.133 1.00 0.00 C ATOM 756 CG MET A 364 7.517 -5.985 2.230 1.00 0.00 C ATOM 757 SD MET A 364 5.904 -5.913 3.029 1.00 0.00 S ATOM 758 CE MET A 364 4.912 -5.205 1.716 1.00 0.00 C ATOM 0 H MET A 364 10.438 -8.359 1.607 1.00 0.00 H new ATOM 0 HA MET A 364 10.198 -5.515 2.202 1.00 0.00 H new ATOM 0 HB2 MET A 364 8.336 -7.592 3.378 1.00 0.00 H new ATOM 0 HB3 MET A 364 8.606 -6.005 4.070 1.00 0.00 H new ATOM 0 HG2 MET A 364 7.808 -4.982 1.918 1.00 0.00 H new ATOM 0 HG3 MET A 364 7.443 -6.591 1.327 1.00 0.00 H new ATOM 0 HE1 MET A 364 3.882 -5.097 2.056 1.00 0.00 H new ATOM 0 HE2 MET A 364 5.310 -4.227 1.446 1.00 0.00 H new ATOM 0 HE3 MET A 364 4.939 -5.860 0.845 1.00 0.00 H new ATOM 768 N GLU A 365 11.988 -6.116 3.786 1.00 0.00 N ATOM 769 CA GLU A 365 13.108 -6.444 4.633 1.00 0.00 C ATOM 770 C GLU A 365 13.082 -5.621 5.912 1.00 0.00 C ATOM 771 O GLU A 365 13.071 -4.393 5.865 1.00 0.00 O ATOM 772 CB GLU A 365 14.391 -6.151 3.870 1.00 0.00 C ATOM 773 CG GLU A 365 14.615 -7.037 2.665 1.00 0.00 C ATOM 774 CD GLU A 365 15.855 -6.638 1.886 1.00 0.00 C ATOM 775 OE1 GLU A 365 15.771 -5.709 1.054 1.00 0.00 O ATOM 776 OE2 GLU A 365 16.922 -7.247 2.101 1.00 0.00 O ATOM 0 H GLU A 365 12.023 -5.177 3.388 1.00 0.00 H new ATOM 0 HA GLU A 365 13.054 -7.498 4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 365 14.376 -5.111 3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 365 15.237 -6.260 4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 365 14.709 -8.073 2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 365 13.744 -6.986 2.011 1.00 0.00 H new ATOM 783 N PRO A 366 13.066 -6.280 7.071 1.00 0.00 N ATOM 784 CA PRO A 366 13.260 -5.623 8.343 1.00 0.00 C ATOM 785 C PRO A 366 14.723 -5.684 8.765 1.00 0.00 C ATOM 786 O PRO A 366 15.268 -6.766 9.003 1.00 0.00 O ATOM 787 CB PRO A 366 12.391 -6.445 9.299 1.00 0.00 C ATOM 788 CG PRO A 366 12.136 -7.760 8.611 1.00 0.00 C ATOM 789 CD PRO A 366 12.798 -7.706 7.254 1.00 0.00 C ATOM 0 HA PRO A 366 12.995 -4.566 8.322 1.00 0.00 H new ATOM 0 HB2 PRO A 366 12.897 -6.596 10.252 1.00 0.00 H new ATOM 0 HB3 PRO A 366 11.455 -5.930 9.514 1.00 0.00 H new ATOM 0 HG2 PRO A 366 12.539 -8.584 9.200 1.00 0.00 H new ATOM 0 HG3 PRO A 366 11.065 -7.936 8.507 1.00 0.00 H new ATOM 0 HD2 PRO A 366 13.715 -8.295 7.229 1.00 0.00 H new ATOM 0 HD3 PRO A 366 12.147 -8.097 6.472 1.00 0.00 H new ATOM 797 N VAL A 367 15.368 -4.538 8.840 1.00 0.00 N ATOM 798 CA VAL A 367 16.770 -4.505 9.186 1.00 0.00 C ATOM 799 C VAL A 367 16.956 -4.037 10.624 1.00 0.00 C ATOM 800 O VAL A 367 16.448 -2.987 11.025 1.00 0.00 O ATOM 801 CB VAL A 367 17.588 -3.618 8.209 1.00 0.00 C ATOM 802 CG1 VAL A 367 17.328 -2.138 8.422 1.00 0.00 C ATOM 803 CG2 VAL A 367 19.070 -3.932 8.321 1.00 0.00 C ATOM 0 H VAL A 367 14.946 -3.625 8.667 1.00 0.00 H new ATOM 0 HA VAL A 367 17.152 -5.522 9.097 1.00 0.00 H new ATOM 0 HB VAL A 367 17.255 -3.854 7.198 1.00 0.00 H new ATOM 0 HG11 VAL A 367 17.923 -1.559 7.716 1.00 0.00 H new ATOM 0 HG12 VAL A 367 16.270 -1.928 8.264 1.00 0.00 H new ATOM 0 HG13 VAL A 367 17.604 -1.863 9.440 1.00 0.00 H new ATOM 0 HG21 VAL A 367 19.629 -3.301 7.629 1.00 0.00 H new ATOM 0 HG22 VAL A 367 19.407 -3.740 9.340 1.00 0.00 H new ATOM 0 HG23 VAL A 367 19.240 -4.980 8.074 1.00 0.00 H new ATOM 813 N LYS A 368 17.628 -4.854 11.417 1.00 0.00 N ATOM 814 CA LYS A 368 17.999 -4.467 12.762 1.00 0.00 C ATOM 815 C LYS A 368 19.496 -4.313 12.864 1.00 0.00 C ATOM 816 O LYS A 368 20.260 -5.129 12.346 1.00 0.00 O ATOM 817 CB LYS A 368 17.500 -5.460 13.803 1.00 0.00 C ATOM 818 CG LYS A 368 16.096 -5.157 14.286 1.00 0.00 C ATOM 819 CD LYS A 368 15.745 -5.979 15.508 1.00 0.00 C ATOM 820 CE LYS A 368 16.660 -5.667 16.681 1.00 0.00 C ATOM 821 NZ LYS A 368 16.259 -6.400 17.908 1.00 0.00 N ATOM 0 H LYS A 368 17.927 -5.792 11.149 1.00 0.00 H new ATOM 0 HA LYS A 368 17.521 -3.510 12.970 1.00 0.00 H new ATOM 0 HB2 LYS A 368 17.524 -6.464 13.380 1.00 0.00 H new ATOM 0 HB3 LYS A 368 18.180 -5.457 14.655 1.00 0.00 H new ATOM 0 HG2 LYS A 368 16.011 -4.096 14.522 1.00 0.00 H new ATOM 0 HG3 LYS A 368 15.382 -5.364 13.489 1.00 0.00 H new ATOM 0 HD2 LYS A 368 14.711 -5.784 15.792 1.00 0.00 H new ATOM 0 HD3 LYS A 368 15.815 -7.039 15.265 1.00 0.00 H new ATOM 0 HE2 LYS A 368 17.686 -5.929 16.421 1.00 0.00 H new ATOM 0 HE3 LYS A 368 16.645 -4.595 16.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 16.908 -6.159 18.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 15.290 -6.131 18.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 16.298 -7.424 17.729 1.00 0.00 H new ATOM 835 N GLU A 369 19.899 -3.267 13.541 1.00 0.00 N ATOM 836 CA GLU A 369 21.289 -2.869 13.585 1.00 0.00 C ATOM 837 C GLU A 369 21.640 -2.273 14.938 1.00 0.00 C ATOM 838 O GLU A 369 20.789 -2.118 15.808 1.00 0.00 O ATOM 839 CB GLU A 369 21.617 -1.876 12.468 1.00 0.00 C ATOM 840 CG GLU A 369 21.506 -2.463 11.071 1.00 0.00 C ATOM 841 CD GLU A 369 22.002 -1.517 10.004 1.00 0.00 C ATOM 842 OE1 GLU A 369 23.209 -1.560 9.685 1.00 0.00 O ATOM 843 OE2 GLU A 369 21.196 -0.721 9.484 1.00 0.00 O ATOM 0 H GLU A 369 19.275 -2.665 14.078 1.00 0.00 H new ATOM 0 HA GLU A 369 21.892 -3.764 13.433 1.00 0.00 H new ATOM 0 HB2 GLU A 369 20.946 -1.021 12.547 1.00 0.00 H new ATOM 0 HB3 GLU A 369 22.630 -1.501 12.615 1.00 0.00 H new ATOM 0 HG2 GLU A 369 22.077 -3.390 11.024 1.00 0.00 H new ATOM 0 HG3 GLU A 369 20.466 -2.719 10.870 1.00 0.00 H new ATOM 850 N LEU A 370 22.901 -1.927 15.076 1.00 0.00 N ATOM 851 CA LEU A 370 23.496 -1.556 16.336 1.00 0.00 C ATOM 852 C LEU A 370 24.097 -0.153 16.269 1.00 0.00 C ATOM 853 O LEU A 370 24.827 0.263 17.165 1.00 0.00 O ATOM 854 CB LEU A 370 24.578 -2.582 16.672 1.00 0.00 C ATOM 855 CG LEU A 370 25.319 -3.184 15.468 1.00 0.00 C ATOM 856 CD1 LEU A 370 26.271 -2.173 14.841 1.00 0.00 C ATOM 857 CD2 LEU A 370 26.067 -4.440 15.879 1.00 0.00 C ATOM 0 H LEU A 370 23.555 -1.896 14.294 1.00 0.00 H new ATOM 0 HA LEU A 370 22.730 -1.545 17.112 1.00 0.00 H new ATOM 0 HB2 LEU A 370 25.310 -2.110 17.327 1.00 0.00 H new ATOM 0 HB3 LEU A 370 24.121 -3.394 17.237 1.00 0.00 H new ATOM 0 HG LEU A 370 24.576 -3.451 14.716 1.00 0.00 H new ATOM 0 HD11 LEU A 370 26.780 -2.630 13.992 1.00 0.00 H new ATOM 0 HD12 LEU A 370 25.707 -1.304 14.501 1.00 0.00 H new ATOM 0 HD13 LEU A 370 27.008 -1.860 15.580 1.00 0.00 H new ATOM 0 HD21 LEU A 370 26.586 -4.854 15.014 1.00 0.00 H new ATOM 0 HD22 LEU A 370 26.792 -4.194 16.655 1.00 0.00 H new ATOM 0 HD23 LEU A 370 25.360 -5.175 16.263 1.00 0.00 H new ATOM 869 N THR A 371 23.795 0.566 15.201 1.00 0.00 N ATOM 870 CA THR A 371 24.333 1.903 15.015 1.00 0.00 C ATOM 871 C THR A 371 23.263 2.952 15.325 1.00 0.00 C ATOM 872 O THR A 371 22.122 2.606 15.639 1.00 0.00 O ATOM 873 CB THR A 371 24.881 2.085 13.579 1.00 0.00 C ATOM 874 OG1 THR A 371 25.530 3.358 13.437 1.00 0.00 O ATOM 875 CG2 THR A 371 23.769 1.961 12.553 1.00 0.00 C ATOM 0 H THR A 371 23.182 0.247 14.451 1.00 0.00 H new ATOM 0 HA THR A 371 25.163 2.039 15.708 1.00 0.00 H new ATOM 0 HB THR A 371 25.611 1.295 13.403 1.00 0.00 H new ATOM 0 HG1 THR A 371 25.870 3.452 12.523 1.00 0.00 H new ATOM 0 HG21 THR A 371 24.181 2.093 11.552 1.00 0.00 H new ATOM 0 HG22 THR A 371 23.311 0.975 12.630 1.00 0.00 H new ATOM 0 HG23 THR A 371 23.015 2.726 12.739 1.00 0.00 H new ATOM 883 N GLY A 372 23.638 4.223 15.261 1.00 0.00 N ATOM 884 CA GLY A 372 22.714 5.294 15.579 1.00 0.00 C ATOM 885 C GLY A 372 22.873 5.753 17.013 1.00 0.00 C ATOM 886 O GLY A 372 22.947 6.950 17.294 1.00 0.00 O ATOM 0 H GLY A 372 24.572 4.533 14.993 1.00 0.00 H new ATOM 0 HA2 GLY A 372 22.883 6.134 14.906 1.00 0.00 H new ATOM 0 HA3 GLY A 372 21.691 4.955 15.415 1.00 0.00 H new ATOM 890 N GLY A 373 22.931 4.789 17.913 1.00 0.00 N ATOM 891 CA GLY A 373 23.134 5.068 19.320 1.00 0.00 C ATOM 892 C GLY A 373 23.409 3.791 20.075 1.00 0.00 C ATOM 893 O GLY A 373 24.482 3.607 20.649 1.00 0.00 O ATOM 0 H GLY A 373 22.839 3.798 17.690 1.00 0.00 H new ATOM 0 HA2 GLY A 373 23.969 5.758 19.444 1.00 0.00 H new ATOM 0 HA3 GLY A 373 22.252 5.558 19.731 1.00 0.00 H new ATOM 897 N GLY A 374 22.431 2.904 20.055 1.00 0.00 N ATOM 898 CA GLY A 374 22.603 1.575 20.594 1.00 0.00 C ATOM 899 C GLY A 374 22.133 0.535 19.603 1.00 0.00 C ATOM 900 O GLY A 374 22.836 -0.432 19.315 1.00 0.00 O ATOM 0 H GLY A 374 21.505 3.085 19.668 1.00 0.00 H new ATOM 0 HA2 GLY A 374 23.653 1.407 20.835 1.00 0.00 H new ATOM 0 HA3 GLY A 374 22.043 1.478 21.524 1.00 0.00 H new ATOM 904 N THR A 375 20.928 0.742 19.089 1.00 0.00 N ATOM 905 CA THR A 375 20.360 -0.104 18.051 1.00 0.00 C ATOM 906 C THR A 375 19.537 0.738 17.080 1.00 0.00 C ATOM 907 O THR A 375 19.034 1.796 17.457 1.00 0.00 O ATOM 908 CB THR A 375 19.461 -1.204 18.656 1.00 0.00 C ATOM 909 OG1 THR A 375 18.650 -0.641 19.698 1.00 0.00 O ATOM 910 CG2 THR A 375 20.286 -2.355 19.212 1.00 0.00 C ATOM 0 H THR A 375 20.316 1.504 19.382 1.00 0.00 H new ATOM 0 HA THR A 375 21.185 -0.579 17.521 1.00 0.00 H new ATOM 0 HB THR A 375 18.826 -1.599 17.863 1.00 0.00 H new ATOM 0 HG1 THR A 375 18.078 -1.339 20.081 1.00 0.00 H new ATOM 0 HG21 THR A 375 19.621 -3.111 19.630 1.00 0.00 H new ATOM 0 HG22 THR A 375 20.880 -2.797 18.412 1.00 0.00 H new ATOM 0 HG23 THR A 375 20.949 -1.983 19.993 1.00 0.00 H new ATOM 918 N THR A 376 19.389 0.289 15.841 1.00 0.00 N ATOM 919 CA THR A 376 18.488 0.895 14.947 1.00 0.00 C ATOM 920 C THR A 376 17.781 -0.200 14.200 1.00 0.00 C ATOM 921 O THR A 376 18.199 -1.354 14.161 1.00 0.00 O ATOM 922 CB THR A 376 19.160 1.887 13.969 1.00 0.00 C ATOM 923 OG1 THR A 376 18.187 2.479 13.094 1.00 0.00 O ATOM 924 CG2 THR A 376 20.239 1.211 13.143 1.00 0.00 C ATOM 0 H THR A 376 19.901 -0.504 15.455 1.00 0.00 H new ATOM 0 HA THR A 376 17.785 1.498 15.522 1.00 0.00 H new ATOM 0 HB THR A 376 19.624 2.668 14.572 1.00 0.00 H new ATOM 0 HG1 THR A 376 18.632 3.104 12.485 1.00 0.00 H new ATOM 0 HG21 THR A 376 20.689 1.938 12.467 1.00 0.00 H new ATOM 0 HG22 THR A 376 21.005 0.808 13.805 1.00 0.00 H new ATOM 0 HG23 THR A 376 19.799 0.400 12.562 1.00 0.00 H new ATOM 932 N PHE A 377 16.707 0.203 13.673 1.00 0.00 N ATOM 933 CA PHE A 377 15.773 -0.655 12.974 1.00 0.00 C ATOM 934 C PHE A 377 15.090 0.108 11.841 1.00 0.00 C ATOM 935 O PHE A 377 14.563 1.204 12.047 1.00 0.00 O ATOM 936 CB PHE A 377 14.745 -1.183 13.977 1.00 0.00 C ATOM 937 CG PHE A 377 13.478 -1.687 13.355 1.00 0.00 C ATOM 938 CD1 PHE A 377 13.359 -2.998 12.929 1.00 0.00 C ATOM 939 CD2 PHE A 377 12.400 -0.836 13.211 1.00 0.00 C ATOM 940 CE1 PHE A 377 12.181 -3.451 12.365 1.00 0.00 C ATOM 941 CE2 PHE A 377 11.217 -1.280 12.650 1.00 0.00 C ATOM 942 CZ PHE A 377 11.109 -2.593 12.227 1.00 0.00 C ATOM 0 H PHE A 377 16.413 1.179 13.701 1.00 0.00 H new ATOM 0 HA PHE A 377 16.306 -1.495 12.528 1.00 0.00 H new ATOM 0 HB2 PHE A 377 15.198 -1.989 14.554 1.00 0.00 H new ATOM 0 HB3 PHE A 377 14.499 -0.387 14.680 1.00 0.00 H new ATOM 0 HD1 PHE A 377 14.194 -3.674 13.038 1.00 0.00 H new ATOM 0 HD2 PHE A 377 12.482 0.189 13.541 1.00 0.00 H new ATOM 0 HE1 PHE A 377 12.100 -4.475 12.033 1.00 0.00 H new ATOM 0 HE2 PHE A 377 10.381 -0.605 12.542 1.00 0.00 H new ATOM 0 HZ PHE A 377 10.187 -2.946 11.789 1.00 0.00 H new ATOM 952 N SER A 378 15.148 -0.449 10.644 1.00 0.00 N ATOM 953 CA SER A 378 14.487 0.135 9.486 1.00 0.00 C ATOM 954 C SER A 378 13.680 -0.917 8.738 1.00 0.00 C ATOM 955 O SER A 378 14.027 -2.100 8.752 1.00 0.00 O ATOM 956 CB SER A 378 15.526 0.768 8.562 1.00 0.00 C ATOM 957 OG SER A 378 16.276 1.746 9.261 1.00 0.00 O ATOM 0 H SER A 378 15.651 -1.314 10.446 1.00 0.00 H new ATOM 0 HA SER A 378 13.799 0.908 9.829 1.00 0.00 H new ATOM 0 HB2 SER A 378 16.193 -0.001 8.172 1.00 0.00 H new ATOM 0 HB3 SER A 378 15.030 1.224 7.705 1.00 0.00 H new ATOM 0 HG SER A 378 16.939 2.143 8.658 1.00 0.00 H new ATOM 963 N VAL A 379 12.596 -0.497 8.104 1.00 0.00 N ATOM 964 CA VAL A 379 11.838 -1.389 7.242 1.00 0.00 C ATOM 965 C VAL A 379 12.050 -0.988 5.795 1.00 0.00 C ATOM 966 O VAL A 379 11.929 0.187 5.442 1.00 0.00 O ATOM 967 CB VAL A 379 10.329 -1.372 7.530 1.00 0.00 C ATOM 968 CG1 VAL A 379 9.659 -2.602 6.935 1.00 0.00 C ATOM 969 CG2 VAL A 379 10.051 -1.265 9.022 1.00 0.00 C ATOM 0 H VAL A 379 12.223 0.450 8.170 1.00 0.00 H new ATOM 0 HA VAL A 379 12.202 -2.397 7.439 1.00 0.00 H new ATOM 0 HB VAL A 379 9.905 -0.487 7.055 1.00 0.00 H new ATOM 0 HG11 VAL A 379 8.591 -2.573 7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 379 9.813 -2.614 5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 379 10.093 -3.501 7.374 1.00 0.00 H new ATOM 0 HG21 VAL A 379 8.974 -1.255 9.192 1.00 0.00 H new ATOM 0 HG22 VAL A 379 10.492 -2.119 9.536 1.00 0.00 H new ATOM 0 HG23 VAL A 379 10.487 -0.344 9.408 1.00 0.00 H new ATOM 979 N ARG A 380 12.352 -1.963 4.969 1.00 0.00 N ATOM 980 CA ARG A 380 12.690 -1.719 3.572 1.00 0.00 C ATOM 981 C ARG A 380 11.750 -2.500 2.664 1.00 0.00 C ATOM 982 O ARG A 380 11.686 -3.724 2.742 1.00 0.00 O ATOM 983 CB ARG A 380 14.135 -2.148 3.305 1.00 0.00 C ATOM 984 CG ARG A 380 15.107 -1.694 4.380 1.00 0.00 C ATOM 985 CD ARG A 380 16.504 -2.244 4.147 1.00 0.00 C ATOM 986 NE ARG A 380 17.160 -1.621 3.001 1.00 0.00 N ATOM 987 CZ ARG A 380 18.445 -1.269 2.981 1.00 0.00 C ATOM 988 NH1 ARG A 380 19.211 -1.456 4.053 1.00 0.00 N ATOM 989 NH2 ARG A 380 18.961 -0.719 1.891 1.00 0.00 N ATOM 0 H ARG A 380 12.372 -2.947 5.238 1.00 0.00 H new ATOM 0 HA ARG A 380 12.585 -0.654 3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 380 14.175 -3.234 3.225 1.00 0.00 H new ATOM 0 HB3 ARG A 380 14.454 -1.746 2.344 1.00 0.00 H new ATOM 0 HG2 ARG A 380 15.144 -0.605 4.400 1.00 0.00 H new ATOM 0 HG3 ARG A 380 14.747 -2.019 5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 380 17.109 -2.085 5.040 1.00 0.00 H new ATOM 0 HD3 ARG A 380 16.447 -3.321 3.989 1.00 0.00 H new ATOM 0 HE ARG A 380 16.601 -1.445 2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 380 18.815 -1.871 4.897 1.00 0.00 H new ATOM 0 HH12 ARG A 380 20.194 -1.184 4.031 1.00 0.00 H new ATOM 0 HH21 ARG A 380 18.375 -0.566 1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 380 19.944 -0.449 1.873 1.00 0.00 H new ATOM 1003 N LYS A 381 11.018 -1.806 1.812 1.00 0.00 N ATOM 1004 CA LYS A 381 10.063 -2.467 0.938 1.00 0.00 C ATOM 1005 C LYS A 381 10.524 -2.410 -0.513 1.00 0.00 C ATOM 1006 O LYS A 381 11.081 -1.408 -0.964 1.00 0.00 O ATOM 1007 CB LYS A 381 8.674 -1.840 1.085 1.00 0.00 C ATOM 1008 CG LYS A 381 8.107 -1.961 2.492 1.00 0.00 C ATOM 1009 CD LYS A 381 6.762 -1.263 2.628 1.00 0.00 C ATOM 1010 CE LYS A 381 6.241 -1.357 4.055 1.00 0.00 C ATOM 1011 NZ LYS A 381 4.963 -0.620 4.241 1.00 0.00 N ATOM 0 H LYS A 381 11.064 -0.793 1.706 1.00 0.00 H new ATOM 0 HA LYS A 381 10.002 -3.514 1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 381 8.727 -0.786 0.811 1.00 0.00 H new ATOM 0 HB3 LYS A 381 7.991 -2.318 0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 381 7.996 -3.015 2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 381 8.811 -1.532 3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 381 6.861 -0.216 2.341 1.00 0.00 H new ATOM 0 HD3 LYS A 381 6.043 -1.714 1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 381 6.095 -2.405 4.317 1.00 0.00 H new ATOM 0 HE3 LYS A 381 6.990 -0.959 4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 4.649 -0.714 5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 5.106 0.385 4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 4.239 -1.016 3.608 1.00 0.00 H new ATOM 1025 N THR A 382 10.308 -3.499 -1.231 1.00 0.00 N ATOM 1026 CA THR A 382 10.728 -3.610 -2.617 1.00 0.00 C ATOM 1027 C THR A 382 9.678 -4.374 -3.424 1.00 0.00 C ATOM 1028 O THR A 382 9.441 -5.554 -3.175 1.00 0.00 O ATOM 1029 CB THR A 382 12.071 -4.357 -2.706 1.00 0.00 C ATOM 1030 OG1 THR A 382 12.995 -3.822 -1.754 1.00 0.00 O ATOM 1031 CG2 THR A 382 12.665 -4.261 -4.099 1.00 0.00 C ATOM 0 H THR A 382 9.838 -4.329 -0.870 1.00 0.00 H new ATOM 0 HA THR A 382 10.842 -2.606 -3.024 1.00 0.00 H new ATOM 0 HB THR A 382 11.883 -5.408 -2.484 1.00 0.00 H new ATOM 0 HG1 THR A 382 13.705 -3.336 -2.224 1.00 0.00 H new ATOM 0 HG21 THR A 382 13.613 -4.799 -4.128 1.00 0.00 H new ATOM 0 HG22 THR A 382 11.976 -4.701 -4.820 1.00 0.00 H new ATOM 0 HG23 THR A 382 12.834 -3.214 -4.351 1.00 0.00 H new ATOM 1039 N ALA A 383 9.044 -3.713 -4.382 1.00 0.00 N ATOM 1040 CA ALA A 383 8.000 -4.357 -5.167 1.00 0.00 C ATOM 1041 C ALA A 383 8.012 -3.907 -6.622 1.00 0.00 C ATOM 1042 O ALA A 383 8.639 -2.901 -6.982 1.00 0.00 O ATOM 1043 CB ALA A 383 6.636 -4.083 -4.547 1.00 0.00 C ATOM 0 H ALA A 383 9.231 -2.742 -4.633 1.00 0.00 H new ATOM 0 HA ALA A 383 8.199 -5.429 -5.156 1.00 0.00 H new ATOM 0 HB1 ALA A 383 5.862 -4.569 -5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 383 6.613 -4.476 -3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 383 6.456 -3.008 -4.525 1.00 0.00 H new ATOM 1049 N TYR A 384 7.329 -4.676 -7.455 1.00 0.00 N ATOM 1050 CA TYR A 384 7.125 -4.331 -8.853 1.00 0.00 C ATOM 1051 C TYR A 384 5.662 -4.557 -9.206 1.00 0.00 C ATOM 1052 O TYR A 384 5.043 -5.485 -8.694 1.00 0.00 O ATOM 1053 CB TYR A 384 8.002 -5.185 -9.778 1.00 0.00 C ATOM 1054 CG TYR A 384 9.496 -5.043 -9.561 1.00 0.00 C ATOM 1055 CD1 TYR A 384 10.180 -3.906 -9.978 1.00 0.00 C ATOM 1056 CD2 TYR A 384 10.225 -6.057 -8.951 1.00 0.00 C ATOM 1057 CE1 TYR A 384 11.545 -3.788 -9.794 1.00 0.00 C ATOM 1058 CE2 TYR A 384 11.589 -5.945 -8.766 1.00 0.00 C ATOM 1059 CZ TYR A 384 12.243 -4.808 -9.188 1.00 0.00 C ATOM 1060 OH TYR A 384 13.601 -4.689 -9.003 1.00 0.00 O ATOM 0 H TYR A 384 6.899 -5.559 -7.180 1.00 0.00 H new ATOM 0 HA TYR A 384 7.402 -3.286 -8.993 1.00 0.00 H new ATOM 0 HB2 TYR A 384 7.730 -6.232 -9.646 1.00 0.00 H new ATOM 0 HB3 TYR A 384 7.774 -4.924 -10.812 1.00 0.00 H new ATOM 0 HD1 TYR A 384 9.636 -3.103 -10.453 1.00 0.00 H new ATOM 0 HD2 TYR A 384 9.716 -6.948 -8.616 1.00 0.00 H new ATOM 0 HE1 TYR A 384 12.062 -2.899 -10.124 1.00 0.00 H new ATOM 0 HE2 TYR A 384 12.140 -6.744 -8.293 1.00 0.00 H new ATOM 0 HH TYR A 384 13.943 -5.494 -8.561 1.00 0.00 H new ATOM 1070 N CYS A 385 5.107 -3.709 -10.065 1.00 0.00 N ATOM 1071 CA CYS A 385 3.733 -3.896 -10.529 1.00 0.00 C ATOM 1072 C CYS A 385 3.614 -5.193 -11.330 1.00 0.00 C ATOM 1073 O CYS A 385 4.596 -5.658 -11.909 1.00 0.00 O ATOM 1074 CB CYS A 385 3.254 -2.686 -11.356 1.00 0.00 C ATOM 1075 SG CYS A 385 4.394 -2.138 -12.659 1.00 0.00 S ATOM 0 H CYS A 385 5.580 -2.892 -10.452 1.00 0.00 H new ATOM 0 HA CYS A 385 3.085 -3.972 -9.656 1.00 0.00 H new ATOM 0 HB2 CYS A 385 2.297 -2.936 -11.814 1.00 0.00 H new ATOM 0 HB3 CYS A 385 3.075 -1.851 -10.678 1.00 0.00 H new ATOM 0 HG CYS A 385 5.502 -1.725 -12.120 1.00 0.00 H new ATOM 1080 N ASP A 386 2.416 -5.773 -11.353 1.00 0.00 N ATOM 1081 CA ASP A 386 2.194 -7.077 -11.991 1.00 0.00 C ATOM 1082 C ASP A 386 2.544 -7.042 -13.478 1.00 0.00 C ATOM 1083 O ASP A 386 2.953 -8.052 -14.050 1.00 0.00 O ATOM 1084 CB ASP A 386 0.737 -7.527 -11.816 1.00 0.00 C ATOM 1085 CG ASP A 386 -0.218 -6.782 -12.729 1.00 0.00 C ATOM 1086 OD1 ASP A 386 -0.365 -5.552 -12.566 1.00 0.00 O ATOM 1087 OD2 ASP A 386 -0.811 -7.422 -13.623 1.00 0.00 O ATOM 0 H ASP A 386 1.580 -5.363 -10.937 1.00 0.00 H new ATOM 0 HA ASP A 386 2.853 -7.792 -11.499 1.00 0.00 H new ATOM 0 HB2 ASP A 386 0.665 -8.596 -12.015 1.00 0.00 H new ATOM 0 HB3 ASP A 386 0.436 -7.375 -10.780 1.00 0.00 H new ATOM 1092 N VAL A 387 2.389 -5.878 -14.098 1.00 0.00 N ATOM 1093 CA VAL A 387 2.713 -5.716 -15.511 1.00 0.00 C ATOM 1094 C VAL A 387 4.190 -5.386 -15.715 1.00 0.00 C ATOM 1095 O VAL A 387 4.641 -5.191 -16.843 1.00 0.00 O ATOM 1096 CB VAL A 387 1.852 -4.618 -16.174 1.00 0.00 C ATOM 1097 CG1 VAL A 387 0.382 -5.006 -16.164 1.00 0.00 C ATOM 1098 CG2 VAL A 387 2.059 -3.274 -15.486 1.00 0.00 C ATOM 0 H VAL A 387 2.041 -5.033 -13.645 1.00 0.00 H new ATOM 0 HA VAL A 387 2.493 -6.672 -15.987 1.00 0.00 H new ATOM 0 HB VAL A 387 2.172 -4.520 -17.211 1.00 0.00 H new ATOM 0 HG11 VAL A 387 -0.205 -4.218 -16.636 1.00 0.00 H new ATOM 0 HG12 VAL A 387 0.248 -5.938 -16.714 1.00 0.00 H new ATOM 0 HG13 VAL A 387 0.048 -5.141 -15.135 1.00 0.00 H new ATOM 0 HG21 VAL A 387 1.442 -2.518 -15.971 1.00 0.00 H new ATOM 0 HG22 VAL A 387 1.775 -3.355 -14.437 1.00 0.00 H new ATOM 0 HG23 VAL A 387 3.108 -2.987 -15.557 1.00 0.00 H new ATOM 1108 N HIS A 388 4.940 -5.315 -14.621 1.00 0.00 N ATOM 1109 CA HIS A 388 6.370 -5.053 -14.698 1.00 0.00 C ATOM 1110 C HIS A 388 7.103 -6.363 -14.924 1.00 0.00 C ATOM 1111 O HIS A 388 8.136 -6.412 -15.584 1.00 0.00 O ATOM 1112 CB HIS A 388 6.876 -4.389 -13.416 1.00 0.00 C ATOM 1113 CG HIS A 388 8.133 -3.603 -13.612 1.00 0.00 C ATOM 1114 ND1 HIS A 388 8.240 -2.266 -13.268 1.00 0.00 N ATOM 1115 CD2 HIS A 388 9.335 -3.960 -14.124 1.00 0.00 C ATOM 1116 CE1 HIS A 388 9.462 -1.845 -13.576 1.00 0.00 C ATOM 1117 NE2 HIS A 388 10.140 -2.850 -14.093 1.00 0.00 N ATOM 0 H HIS A 388 4.582 -5.435 -13.674 1.00 0.00 H new ATOM 0 HA HIS A 388 6.559 -4.372 -15.528 1.00 0.00 H new ATOM 0 HB2 HIS A 388 6.101 -3.729 -13.027 1.00 0.00 H new ATOM 0 HB3 HIS A 388 7.050 -5.157 -12.662 1.00 0.00 H new ATOM 0 HD1 HIS A 388 7.503 -1.699 -12.848 1.00 0.00 H new ATOM 0 HD2 HIS A 388 9.609 -4.939 -14.489 1.00 0.00 H new ATOM 0 HE1 HIS A 388 9.838 -0.844 -13.427 1.00 0.00 H new ATOM 1125 N THR A 389 6.552 -7.420 -14.358 1.00 0.00 N ATOM 1126 CA THR A 389 7.048 -8.759 -14.589 1.00 0.00 C ATOM 1127 C THR A 389 6.212 -9.397 -15.689 1.00 0.00 C ATOM 1128 O THR A 389 5.086 -8.953 -15.904 1.00 0.00 O ATOM 1129 CB THR A 389 6.967 -9.601 -13.301 1.00 0.00 C ATOM 1130 OG1 THR A 389 5.676 -9.443 -12.697 1.00 0.00 O ATOM 1131 CG2 THR A 389 8.049 -9.185 -12.315 1.00 0.00 C ATOM 0 H THR A 389 5.751 -7.373 -13.728 1.00 0.00 H new ATOM 0 HA THR A 389 8.094 -8.715 -14.891 1.00 0.00 H new ATOM 0 HB THR A 389 7.121 -10.648 -13.564 1.00 0.00 H new ATOM 0 HG1 THR A 389 5.629 -9.982 -11.880 1.00 0.00 H new ATOM 0 HG21 THR A 389 7.973 -9.793 -11.413 1.00 0.00 H new ATOM 0 HG22 THR A 389 9.030 -9.330 -12.768 1.00 0.00 H new ATOM 0 HG23 THR A 389 7.921 -8.134 -12.056 1.00 0.00 H new ATOM 1139 N PRO A 390 6.752 -10.418 -16.400 1.00 0.00 N ATOM 1140 CA PRO A 390 6.077 -11.101 -17.513 1.00 0.00 C ATOM 1141 C PRO A 390 4.548 -11.100 -17.411 1.00 0.00 C ATOM 1142 O PRO A 390 3.963 -11.906 -16.687 1.00 0.00 O ATOM 1143 CB PRO A 390 6.628 -12.516 -17.389 1.00 0.00 C ATOM 1144 CG PRO A 390 8.031 -12.334 -16.897 1.00 0.00 C ATOM 1145 CD PRO A 390 8.083 -11.007 -16.168 1.00 0.00 C ATOM 0 HA PRO A 390 6.264 -10.612 -18.469 1.00 0.00 H new ATOM 0 HB2 PRO A 390 6.038 -13.111 -16.692 1.00 0.00 H new ATOM 0 HB3 PRO A 390 6.608 -13.034 -18.348 1.00 0.00 H new ATOM 0 HG2 PRO A 390 8.314 -13.150 -16.232 1.00 0.00 H new ATOM 0 HG3 PRO A 390 8.735 -12.343 -17.729 1.00 0.00 H new ATOM 0 HD2 PRO A 390 8.279 -11.144 -15.104 1.00 0.00 H new ATOM 0 HD3 PRO A 390 8.875 -10.368 -16.558 1.00 0.00 H new