USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 537 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 Single : A 369 ASN : amide:sc= -0.936 K(o=-0.94,f=-0.0084) USER MOD Single : A 371 LYS NZ :NH3+ -145:sc= 0.0832 (180deg=-0.0261) USER MOD Single : A 373 GLN : amide:sc= -7.49! C(o=-7.5!,f=-4.5!) USER MOD Single : A 375 TYR OH : rot 180:sc= -0.138 USER MOD Single : A 376 SER OG : rot 71:sc= 1.19 USER MOD Single : A 380 TYR OH : rot 180:sc= 0 USER MOD Single : A 382 SER OG : rot 180:sc= 0 USER MOD Single : A 386 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 387 TYR OH : rot 50:sc= -5.32! USER MOD Single : A 389 THR OG1 : rot 25:sc= 0.0666 USER MOD Single : A 399 ASN : amide:sc= -0.0208 X(o=-0.021,f=0) USER MOD Single : A 400 SER OG : rot 65:sc= -0.323 USER MOD Single : A 404 CYS SG : rot 114:sc= -0.577 USER MOD Single : A 410 THR OG1 : rot 37:sc= 0.0726 USER MOD Single : A 414 THR OG1 : rot 180:sc= -1.52 USER MOD Single : A 419 ASN : amide:sc= -3! K(o=-3!,f=-0.23) USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= 0.666 K(o=0.67,f=-1.5) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 437 MET CE :methyl 146:sc= -0.254 (180deg=-1.33!) USER MOD Single : A 441 TYR OH : rot 150:sc= 0 USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 GLN : amide:sc= -0.0865 X(o=-0.087,f=0) USER MOD ----------------------------------------------------------------- ATOM 102 N ASN A 369 -3.236 -2.838 9.372 1.00 0.00 N ATOM 103 CA ASN A 369 -2.783 -1.530 9.843 1.00 0.00 C ATOM 104 C ASN A 369 -1.896 -0.837 8.811 1.00 0.00 C ATOM 105 O ASN A 369 -1.840 0.392 8.755 1.00 0.00 O ATOM 106 CB ASN A 369 -2.023 -1.676 11.165 1.00 0.00 C ATOM 107 CG ASN A 369 -1.092 -2.874 11.169 1.00 0.00 C ATOM 108 OD1 ASN A 369 -1.339 -3.865 11.858 1.00 0.00 O ATOM 109 ND2 ASN A 369 -0.013 -2.789 10.400 1.00 0.00 N ATOM 0 HA ASN A 369 -3.667 -0.912 9.999 1.00 0.00 H new ATOM 0 HB2 ASN A 369 -1.446 -0.770 11.351 1.00 0.00 H new ATOM 0 HB3 ASN A 369 -2.737 -1.772 11.983 1.00 0.00 H new ATOM 0 HD21 ASN A 369 0.650 -3.563 10.364 1.00 0.00 H new ATOM 0 HD22 ASN A 369 0.153 -1.949 9.845 1.00 0.00 H new ATOM 116 N ALA A 370 -1.203 -1.628 7.997 1.00 0.00 N ATOM 117 CA ALA A 370 -0.320 -1.083 6.971 1.00 0.00 C ATOM 118 C ALA A 370 -1.030 -0.025 6.136 1.00 0.00 C ATOM 119 O ALA A 370 -0.482 1.047 5.876 1.00 0.00 O ATOM 120 CB ALA A 370 0.207 -2.199 6.080 1.00 0.00 C ATOM 0 H ALA A 370 -1.236 -2.647 8.028 1.00 0.00 H new ATOM 0 HA ALA A 370 0.522 -0.604 7.471 1.00 0.00 H new ATOM 0 HB1 ALA A 370 0.864 -1.778 5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 370 0.764 -2.915 6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -0.629 -2.705 5.597 1.00 0.00 H new ATOM 126 N LYS A 371 -2.253 -0.330 5.724 1.00 0.00 N ATOM 127 CA LYS A 371 -3.042 0.599 4.920 1.00 0.00 C ATOM 128 C LYS A 371 -3.231 1.923 5.647 1.00 0.00 C ATOM 129 O LYS A 371 -2.908 2.987 5.119 1.00 0.00 O ATOM 130 CB LYS A 371 -4.408 -0.004 4.586 1.00 0.00 C ATOM 131 CG LYS A 371 -4.801 0.154 3.124 1.00 0.00 C ATOM 132 CD LYS A 371 -5.969 1.115 2.959 1.00 0.00 C ATOM 133 CE LYS A 371 -6.992 0.589 1.966 1.00 0.00 C ATOM 134 NZ LYS A 371 -6.922 1.306 0.662 1.00 0.00 N ATOM 0 H LYS A 371 -2.722 -1.212 5.932 1.00 0.00 H new ATOM 0 HA LYS A 371 -2.497 0.783 3.994 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -4.400 -1.064 4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -5.167 0.467 5.211 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -3.946 0.518 2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -5.068 -0.819 2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -6.448 1.275 3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -5.599 2.083 2.622 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -6.826 -0.476 1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -7.993 0.695 2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -7.878 1.394 0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -6.520 2.254 0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -6.319 0.772 0.004 1.00 0.00 H new ATOM 148 N ARG A 372 -3.754 1.846 6.861 1.00 0.00 N ATOM 149 CA ARG A 372 -3.989 3.035 7.670 1.00 0.00 C ATOM 150 C ARG A 372 -2.697 3.819 7.851 1.00 0.00 C ATOM 151 O ARG A 372 -2.707 5.047 7.929 1.00 0.00 O ATOM 152 CB ARG A 372 -4.564 2.651 9.034 1.00 0.00 C ATOM 153 CG ARG A 372 -5.850 1.847 8.950 1.00 0.00 C ATOM 154 CD ARG A 372 -6.456 1.624 10.327 1.00 0.00 C ATOM 155 NE ARG A 372 -5.872 0.465 10.999 1.00 0.00 N ATOM 156 CZ ARG A 372 -5.847 0.307 12.321 1.00 0.00 C ATOM 157 NH1 ARG A 372 -6.380 1.226 13.119 1.00 0.00 N ATOM 158 NH2 ARG A 372 -5.291 -0.775 12.847 1.00 0.00 N ATOM 0 H ARG A 372 -4.025 0.971 7.310 1.00 0.00 H new ATOM 0 HA ARG A 372 -4.712 3.664 7.151 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -3.820 2.073 9.583 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -4.750 3.558 9.609 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -6.566 2.369 8.316 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -5.649 0.885 8.479 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -6.304 2.513 10.939 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -7.533 1.484 10.231 1.00 0.00 H new ATOM 0 HE ARG A 372 -5.459 -0.267 10.421 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -6.812 2.059 12.720 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -6.357 1.098 14.131 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -4.883 -1.485 12.239 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -5.271 -0.897 13.859 1.00 0.00 H new ATOM 170 N GLN A 373 -1.583 3.098 7.907 1.00 0.00 N ATOM 171 CA GLN A 373 -0.282 3.727 8.066 1.00 0.00 C ATOM 172 C GLN A 373 0.028 4.607 6.862 1.00 0.00 C ATOM 173 O GLN A 373 0.366 5.780 7.011 1.00 0.00 O ATOM 174 CB GLN A 373 0.807 2.665 8.235 1.00 0.00 C ATOM 175 CG GLN A 373 1.885 3.052 9.234 1.00 0.00 C ATOM 176 CD GLN A 373 3.273 2.641 8.783 1.00 0.00 C ATOM 177 OE1 GLN A 373 3.673 1.487 8.938 1.00 0.00 O ATOM 178 NE2 GLN A 373 4.018 3.587 8.223 1.00 0.00 N ATOM 0 H GLN A 373 -1.557 2.080 7.845 1.00 0.00 H new ATOM 0 HA GLN A 373 -0.305 4.349 8.961 1.00 0.00 H new ATOM 0 HB2 GLN A 373 0.345 1.731 8.555 1.00 0.00 H new ATOM 0 HB3 GLN A 373 1.271 2.476 7.267 1.00 0.00 H new ATOM 0 HG2 GLN A 373 1.862 4.131 9.388 1.00 0.00 H new ATOM 0 HG3 GLN A 373 1.667 2.588 10.196 1.00 0.00 H new ATOM 0 HE21 GLN A 373 3.647 4.531 8.114 1.00 0.00 H new ATOM 0 HE22 GLN A 373 4.961 3.370 7.902 1.00 0.00 H new ATOM 187 N LEU A 374 -0.095 4.034 5.670 1.00 0.00 N ATOM 188 CA LEU A 374 0.173 4.766 4.438 1.00 0.00 C ATOM 189 C LEU A 374 -0.732 5.984 4.310 1.00 0.00 C ATOM 190 O LEU A 374 -0.276 7.073 3.961 1.00 0.00 O ATOM 191 CB LEU A 374 -0.012 3.849 3.228 1.00 0.00 C ATOM 192 CG LEU A 374 1.280 3.264 2.662 1.00 0.00 C ATOM 193 CD1 LEU A 374 1.025 1.890 2.066 1.00 0.00 C ATOM 194 CD2 LEU A 374 1.874 4.198 1.619 1.00 0.00 C ATOM 0 H LEU A 374 -0.379 3.064 5.531 1.00 0.00 H new ATOM 0 HA LEU A 374 1.206 5.113 4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 374 -0.672 3.029 3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 374 -0.516 4.408 2.440 1.00 0.00 H new ATOM 0 HG LEU A 374 1.997 3.157 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 374 1.956 1.488 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 374 0.643 1.223 2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 374 0.292 1.972 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 374 2.794 3.766 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 374 1.161 4.336 0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 374 2.093 5.163 2.077 1.00 0.00 H new ATOM 206 N TYR A 375 -2.013 5.794 4.591 1.00 0.00 N ATOM 207 CA TYR A 375 -2.979 6.883 4.501 1.00 0.00 C ATOM 208 C TYR A 375 -2.769 7.888 5.626 1.00 0.00 C ATOM 209 O TYR A 375 -3.089 9.069 5.483 1.00 0.00 O ATOM 210 CB TYR A 375 -4.407 6.331 4.544 1.00 0.00 C ATOM 211 CG TYR A 375 -5.263 6.771 3.379 1.00 0.00 C ATOM 212 CD1 TYR A 375 -5.275 8.096 2.962 1.00 0.00 C ATOM 213 CD2 TYR A 375 -6.061 5.861 2.696 1.00 0.00 C ATOM 214 CE1 TYR A 375 -6.057 8.501 1.897 1.00 0.00 C ATOM 215 CE2 TYR A 375 -6.846 6.258 1.630 1.00 0.00 C ATOM 216 CZ TYR A 375 -6.841 7.579 1.235 1.00 0.00 C ATOM 217 OH TYR A 375 -7.621 7.979 0.174 1.00 0.00 O ATOM 0 H TYR A 375 -2.408 4.900 4.882 1.00 0.00 H new ATOM 0 HA TYR A 375 -2.827 7.396 3.551 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -4.366 5.242 4.562 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -4.882 6.648 5.473 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -4.663 8.821 3.478 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -6.068 4.826 3.004 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -6.054 9.535 1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -7.460 5.538 1.109 1.00 0.00 H new ATOM 0 HH TYR A 375 -8.110 7.208 -0.181 1.00 0.00 H new ATOM 227 N SER A 376 -2.229 7.416 6.742 1.00 0.00 N ATOM 228 CA SER A 376 -1.976 8.277 7.889 1.00 0.00 C ATOM 229 C SER A 376 -0.566 8.863 7.843 1.00 0.00 C ATOM 230 O SER A 376 -0.186 9.641 8.718 1.00 0.00 O ATOM 231 CB SER A 376 -2.173 7.497 9.189 1.00 0.00 C ATOM 232 OG SER A 376 -3.493 6.987 9.284 1.00 0.00 O ATOM 0 H SER A 376 -1.958 6.442 6.877 1.00 0.00 H new ATOM 0 HA SER A 376 -2.688 9.101 7.852 1.00 0.00 H new ATOM 0 HB2 SER A 376 -1.458 6.675 9.235 1.00 0.00 H new ATOM 0 HB3 SER A 376 -1.968 8.146 10.041 1.00 0.00 H new ATOM 0 HG SER A 376 -3.612 6.265 8.633 1.00 0.00 H new ATOM 238 N LEU A 377 0.213 8.488 6.827 1.00 0.00 N ATOM 239 CA LEU A 377 1.576 8.989 6.699 1.00 0.00 C ATOM 240 C LEU A 377 1.791 9.735 5.385 1.00 0.00 C ATOM 241 O LEU A 377 2.662 10.601 5.304 1.00 0.00 O ATOM 242 CB LEU A 377 2.587 7.845 6.814 1.00 0.00 C ATOM 243 CG LEU A 377 3.407 7.837 8.105 1.00 0.00 C ATOM 244 CD1 LEU A 377 2.568 7.332 9.268 1.00 0.00 C ATOM 245 CD2 LEU A 377 4.657 6.985 7.936 1.00 0.00 C ATOM 0 H LEU A 377 -0.076 7.845 6.089 1.00 0.00 H new ATOM 0 HA LEU A 377 1.733 9.694 7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 377 2.053 6.898 6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 377 3.271 7.897 5.967 1.00 0.00 H new ATOM 0 HG LEU A 377 3.715 8.859 8.324 1.00 0.00 H new ATOM 0 HD11 LEU A 377 3.169 7.334 10.178 1.00 0.00 H new ATOM 0 HD12 LEU A 377 1.704 7.982 9.403 1.00 0.00 H new ATOM 0 HD13 LEU A 377 2.229 6.317 9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 377 5.229 6.990 8.864 1.00 0.00 H new ATOM 0 HD22 LEU A 377 4.370 5.962 7.692 1.00 0.00 H new ATOM 0 HD23 LEU A 377 5.268 7.392 7.131 1.00 0.00 H new ATOM 257 N ILE A 378 1.017 9.403 4.350 1.00 0.00 N ATOM 258 CA ILE A 378 1.186 10.073 3.067 1.00 0.00 C ATOM 259 C ILE A 378 -0.145 10.412 2.392 1.00 0.00 C ATOM 260 O ILE A 378 -0.283 11.474 1.785 1.00 0.00 O ATOM 261 CB ILE A 378 2.072 9.250 2.109 1.00 0.00 C ATOM 262 CG1 ILE A 378 1.390 7.946 1.697 1.00 0.00 C ATOM 263 CG2 ILE A 378 3.417 8.960 2.757 1.00 0.00 C ATOM 264 CD1 ILE A 378 1.753 7.514 0.296 1.00 0.00 C ATOM 0 H ILE A 378 0.286 8.692 4.375 1.00 0.00 H new ATOM 0 HA ILE A 378 1.688 11.015 3.289 1.00 0.00 H new ATOM 0 HB ILE A 378 2.230 9.842 1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 378 1.667 7.159 2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 378 0.309 8.069 1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 378 4.033 8.379 2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 378 3.919 9.899 2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 378 3.264 8.394 3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 378 1.240 6.582 0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 378 1.452 8.286 -0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 378 2.830 7.362 0.230 1.00 0.00 H new ATOM 276 N GLY A 379 -1.129 9.527 2.501 1.00 0.00 N ATOM 277 CA GLY A 379 -2.418 9.801 1.891 1.00 0.00 C ATOM 278 C GLY A 379 -3.100 10.978 2.556 1.00 0.00 C ATOM 279 O GLY A 379 -3.695 10.829 3.623 1.00 0.00 O ATOM 0 H GLY A 379 -1.061 8.636 2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -2.284 10.007 0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -3.054 8.919 1.967 1.00 0.00 H new ATOM 283 N TYR A 380 -2.999 12.163 1.949 1.00 0.00 N ATOM 284 CA TYR A 380 -3.606 13.350 2.546 1.00 0.00 C ATOM 285 C TYR A 380 -4.928 13.745 1.886 1.00 0.00 C ATOM 286 O TYR A 380 -5.700 14.512 2.461 1.00 0.00 O ATOM 287 CB TYR A 380 -2.630 14.541 2.561 1.00 0.00 C ATOM 288 CG TYR A 380 -2.021 14.936 1.222 1.00 0.00 C ATOM 289 CD1 TYR A 380 -2.788 15.030 0.066 1.00 0.00 C ATOM 290 CD2 TYR A 380 -0.668 15.259 1.128 1.00 0.00 C ATOM 291 CE1 TYR A 380 -2.227 15.430 -1.134 1.00 0.00 C ATOM 292 CE2 TYR A 380 -0.108 15.656 -0.061 1.00 0.00 C ATOM 293 CZ TYR A 380 -0.887 15.746 -1.191 1.00 0.00 C ATOM 294 OH TYR A 380 -0.326 16.146 -2.382 1.00 0.00 O ATOM 0 H TYR A 380 -2.514 12.323 1.066 1.00 0.00 H new ATOM 0 HA TYR A 380 -3.836 13.078 3.576 1.00 0.00 H new ATOM 0 HB2 TYR A 380 -3.154 15.407 2.966 1.00 0.00 H new ATOM 0 HB3 TYR A 380 -1.818 14.308 3.250 1.00 0.00 H new ATOM 0 HD1 TYR A 380 -3.839 14.787 0.105 1.00 0.00 H new ATOM 0 HD2 TYR A 380 -0.047 15.196 2.009 1.00 0.00 H new ATOM 0 HE1 TYR A 380 -2.837 15.494 -2.023 1.00 0.00 H new ATOM 0 HE2 TYR A 380 0.944 15.897 -0.109 1.00 0.00 H new ATOM 0 HH TYR A 380 0.627 16.332 -2.249 1.00 0.00 H new ATOM 304 N ALA A 381 -5.195 13.223 0.690 1.00 0.00 N ATOM 305 CA ALA A 381 -6.438 13.540 -0.018 1.00 0.00 C ATOM 306 C ALA A 381 -6.381 13.074 -1.469 1.00 0.00 C ATOM 307 O ALA A 381 -6.875 11.998 -1.803 1.00 0.00 O ATOM 308 CB ALA A 381 -6.732 15.035 0.043 1.00 0.00 C ATOM 0 H ALA A 381 -4.575 12.584 0.193 1.00 0.00 H new ATOM 0 HA ALA A 381 -7.246 13.005 0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 381 -7.659 15.245 -0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 381 -6.833 15.344 1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 381 -5.914 15.586 -0.421 1.00 0.00 H new ATOM 314 N SER A 382 -5.773 13.889 -2.328 1.00 0.00 N ATOM 315 CA SER A 382 -5.652 13.557 -3.744 1.00 0.00 C ATOM 316 C SER A 382 -5.126 12.137 -3.923 1.00 0.00 C ATOM 317 O SER A 382 -5.404 11.481 -4.927 1.00 0.00 O ATOM 318 CB SER A 382 -4.722 14.550 -4.446 1.00 0.00 C ATOM 319 OG SER A 382 -5.209 14.882 -5.734 1.00 0.00 O ATOM 0 H SER A 382 -5.357 14.783 -2.068 1.00 0.00 H new ATOM 0 HA SER A 382 -6.643 13.620 -4.193 1.00 0.00 H new ATOM 0 HB2 SER A 382 -4.630 15.454 -3.844 1.00 0.00 H new ATOM 0 HB3 SER A 382 -3.724 14.121 -4.531 1.00 0.00 H new ATOM 0 HG SER A 382 -4.598 15.519 -6.161 1.00 0.00 H new ATOM 325 N LEU A 383 -4.365 11.669 -2.938 1.00 0.00 N ATOM 326 CA LEU A 383 -3.802 10.327 -2.982 1.00 0.00 C ATOM 327 C LEU A 383 -4.825 9.290 -2.538 1.00 0.00 C ATOM 328 O LEU A 383 -4.843 8.880 -1.378 1.00 0.00 O ATOM 329 CB LEU A 383 -2.562 10.242 -2.095 1.00 0.00 C ATOM 330 CG LEU A 383 -1.263 9.982 -2.845 1.00 0.00 C ATOM 331 CD1 LEU A 383 -0.697 11.289 -3.377 1.00 0.00 C ATOM 332 CD2 LEU A 383 -0.262 9.271 -1.944 1.00 0.00 C ATOM 0 H LEU A 383 -4.125 12.200 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 383 -3.520 10.115 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -2.465 11.174 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 383 -2.709 9.448 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 383 -1.467 9.330 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 383 0.232 11.092 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -1.416 11.747 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 383 -0.501 11.966 -2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 383 0.661 9.093 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 383 -0.051 9.892 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 383 -0.679 8.319 -1.617 1.00 0.00 H new ATOM 344 N ARG A 384 -5.670 8.864 -3.465 1.00 0.00 N ATOM 345 CA ARG A 384 -6.685 7.868 -3.157 1.00 0.00 C ATOM 346 C ARG A 384 -6.041 6.499 -2.960 1.00 0.00 C ATOM 347 O ARG A 384 -6.249 5.581 -3.755 1.00 0.00 O ATOM 348 CB ARG A 384 -7.729 7.806 -4.274 1.00 0.00 C ATOM 349 CG ARG A 384 -9.047 7.181 -3.844 1.00 0.00 C ATOM 350 CD ARG A 384 -10.043 7.137 -4.990 1.00 0.00 C ATOM 351 NE ARG A 384 -11.368 7.600 -4.582 1.00 0.00 N ATOM 352 CZ ARG A 384 -11.673 8.878 -4.367 1.00 0.00 C ATOM 353 NH1 ARG A 384 -10.754 9.822 -4.524 1.00 0.00 N ATOM 354 NH2 ARG A 384 -12.901 9.213 -3.996 1.00 0.00 N ATOM 0 H ARG A 384 -5.673 9.190 -4.431 1.00 0.00 H new ATOM 0 HA ARG A 384 -7.183 8.157 -2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 384 -7.918 8.815 -4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 384 -7.322 7.236 -5.109 1.00 0.00 H new ATOM 0 HG2 ARG A 384 -8.869 6.170 -3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 384 -9.468 7.751 -3.016 1.00 0.00 H new ATOM 0 HD2 ARG A 384 -9.679 7.756 -5.810 1.00 0.00 H new ATOM 0 HD3 ARG A 384 -10.116 6.117 -5.368 1.00 0.00 H new ATOM 0 HE ARG A 384 -12.102 6.903 -4.455 1.00 0.00 H new ATOM 0 HH11 ARG A 384 -9.808 9.570 -4.811 1.00 0.00 H new ATOM 0 HH12 ARG A 384 -10.993 10.799 -4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 384 -13.612 8.492 -3.875 1.00 0.00 H new ATOM 0 HH22 ARG A 384 -13.135 10.192 -3.831 1.00 0.00 H new ATOM 366 N LEU A 385 -5.251 6.373 -1.896 1.00 0.00 N ATOM 367 CA LEU A 385 -4.562 5.122 -1.587 1.00 0.00 C ATOM 368 C LEU A 385 -5.501 3.925 -1.720 1.00 0.00 C ATOM 369 O LEU A 385 -6.314 3.657 -0.836 1.00 0.00 O ATOM 370 CB LEU A 385 -3.975 5.176 -0.174 1.00 0.00 C ATOM 371 CG LEU A 385 -3.266 3.897 0.281 1.00 0.00 C ATOM 372 CD1 LEU A 385 -1.758 4.099 0.292 1.00 0.00 C ATOM 373 CD2 LEU A 385 -3.759 3.472 1.657 1.00 0.00 C ATOM 0 H LEU A 385 -5.072 7.125 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 385 -3.752 4.998 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 385 -3.268 6.004 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -4.778 5.398 0.529 1.00 0.00 H new ATOM 0 HG LEU A 385 -3.502 3.103 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -1.270 3.180 0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -1.418 4.354 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -1.504 4.907 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -3.244 2.562 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -3.555 4.264 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -4.832 3.286 1.617 1.00 0.00 H new ATOM 385 N HIS A 386 -5.375 3.208 -2.832 1.00 0.00 N ATOM 386 CA HIS A 386 -6.204 2.038 -3.090 1.00 0.00 C ATOM 387 C HIS A 386 -5.338 0.843 -3.468 1.00 0.00 C ATOM 388 O HIS A 386 -4.313 0.993 -4.135 1.00 0.00 O ATOM 389 CB HIS A 386 -7.206 2.333 -4.207 1.00 0.00 C ATOM 390 CG HIS A 386 -8.410 1.442 -4.183 1.00 0.00 C ATOM 391 ND1 HIS A 386 -8.413 0.166 -4.705 1.00 0.00 N ATOM 392 CD2 HIS A 386 -9.657 1.651 -3.695 1.00 0.00 C ATOM 393 CE1 HIS A 386 -9.608 -0.373 -4.540 1.00 0.00 C ATOM 394 NE2 HIS A 386 -10.381 0.508 -3.931 1.00 0.00 N ATOM 0 H HIS A 386 -4.704 3.419 -3.571 1.00 0.00 H new ATOM 0 HA HIS A 386 -6.752 1.798 -2.179 1.00 0.00 H new ATOM 0 HB2 HIS A 386 -7.531 3.371 -4.128 1.00 0.00 H new ATOM 0 HB3 HIS A 386 -6.706 2.228 -5.170 1.00 0.00 H new ATOM 0 HD2 HIS A 386 -10.014 2.548 -3.211 1.00 0.00 H new ATOM 0 HE1 HIS A 386 -9.902 -1.365 -4.850 1.00 0.00 H new ATOM 0 HE2 HIS A 386 -11.358 0.363 -3.677 1.00 0.00 H new ATOM 403 N TYR A 387 -5.748 -0.344 -3.036 1.00 0.00 N ATOM 404 CA TYR A 387 -4.999 -1.557 -3.329 1.00 0.00 C ATOM 405 C TYR A 387 -5.712 -2.411 -4.365 1.00 0.00 C ATOM 406 O TYR A 387 -6.842 -2.854 -4.158 1.00 0.00 O ATOM 407 CB TYR A 387 -4.761 -2.358 -2.048 1.00 0.00 C ATOM 408 CG TYR A 387 -3.651 -1.784 -1.206 1.00 0.00 C ATOM 409 CD1 TYR A 387 -3.766 -0.514 -0.656 1.00 0.00 C ATOM 410 CD2 TYR A 387 -2.483 -2.497 -0.972 1.00 0.00 C ATOM 411 CE1 TYR A 387 -2.751 0.029 0.102 1.00 0.00 C ATOM 412 CE2 TYR A 387 -1.461 -1.961 -0.217 1.00 0.00 C ATOM 413 CZ TYR A 387 -1.600 -0.698 0.319 1.00 0.00 C ATOM 414 OH TYR A 387 -0.583 -0.156 1.067 1.00 0.00 O ATOM 0 H TYR A 387 -6.593 -0.491 -2.483 1.00 0.00 H new ATOM 0 HA TYR A 387 -4.035 -1.264 -3.745 1.00 0.00 H new ATOM 0 HB2 TYR A 387 -5.680 -2.383 -1.463 1.00 0.00 H new ATOM 0 HB3 TYR A 387 -4.520 -3.389 -2.307 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -4.666 0.058 -0.825 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -2.373 -3.488 -1.388 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -2.857 1.018 0.523 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -0.557 -2.527 -0.047 1.00 0.00 H new ATOM 0 HH TYR A 387 -0.946 0.193 1.908 1.00 0.00 H new ATOM 424 N VAL A 388 -5.035 -2.637 -5.484 1.00 0.00 N ATOM 425 CA VAL A 388 -5.586 -3.436 -6.565 1.00 0.00 C ATOM 426 C VAL A 388 -4.913 -4.802 -6.623 1.00 0.00 C ATOM 427 O VAL A 388 -3.772 -4.925 -7.072 1.00 0.00 O ATOM 428 CB VAL A 388 -5.420 -2.731 -7.925 1.00 0.00 C ATOM 429 CG1 VAL A 388 -6.099 -3.526 -9.030 1.00 0.00 C ATOM 430 CG2 VAL A 388 -5.971 -1.315 -7.862 1.00 0.00 C ATOM 0 H VAL A 388 -4.099 -2.275 -5.664 1.00 0.00 H new ATOM 0 HA VAL A 388 -6.649 -3.563 -6.363 1.00 0.00 H new ATOM 0 HB VAL A 388 -4.356 -2.674 -8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 388 -5.970 -3.010 -9.982 1.00 0.00 H new ATOM 0 HG12 VAL A 388 -5.652 -4.518 -9.091 1.00 0.00 H new ATOM 0 HG13 VAL A 388 -7.162 -3.620 -8.810 1.00 0.00 H new ATOM 0 HG21 VAL A 388 -5.845 -0.832 -8.831 1.00 0.00 H new ATOM 0 HG22 VAL A 388 -7.030 -1.348 -7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 388 -5.433 -0.749 -7.102 1.00 0.00 H new ATOM 440 N THR A 389 -5.622 -5.824 -6.160 1.00 0.00 N ATOM 441 CA THR A 389 -5.089 -7.180 -6.154 1.00 0.00 C ATOM 442 C THR A 389 -5.138 -7.797 -7.547 1.00 0.00 C ATOM 443 O THR A 389 -6.174 -7.776 -8.212 1.00 0.00 O ATOM 444 CB THR A 389 -5.870 -8.052 -5.171 1.00 0.00 C ATOM 445 OG1 THR A 389 -7.177 -8.304 -5.655 1.00 0.00 O ATOM 446 CG2 THR A 389 -6.000 -7.436 -3.795 1.00 0.00 C ATOM 0 H THR A 389 -6.566 -5.740 -5.784 1.00 0.00 H new ATOM 0 HA THR A 389 -4.047 -7.129 -5.839 1.00 0.00 H new ATOM 0 HB THR A 389 -5.296 -8.974 -5.084 1.00 0.00 H new ATOM 0 HG1 THR A 389 -7.185 -8.226 -6.632 1.00 0.00 H new ATOM 0 HG21 THR A 389 -6.565 -8.107 -3.148 1.00 0.00 H new ATOM 0 HG22 THR A 389 -5.008 -7.275 -3.373 1.00 0.00 H new ATOM 0 HG23 THR A 389 -6.521 -6.482 -3.871 1.00 0.00 H new ATOM 594 N ASN A 399 1.329 -16.819 -6.577 1.00 0.00 N ATOM 595 CA ASN A 399 1.056 -16.357 -5.224 1.00 0.00 C ATOM 596 C ASN A 399 0.032 -15.229 -5.244 1.00 0.00 C ATOM 597 O ASN A 399 -0.650 -15.016 -6.246 1.00 0.00 O ATOM 598 CB ASN A 399 2.345 -15.877 -4.546 1.00 0.00 C ATOM 599 CG ASN A 399 3.600 -16.324 -5.271 1.00 0.00 C ATOM 600 OD1 ASN A 399 4.184 -17.360 -4.950 1.00 0.00 O ATOM 601 ND2 ASN A 399 4.020 -15.541 -6.257 1.00 0.00 N ATOM 0 HA ASN A 399 0.651 -17.194 -4.655 1.00 0.00 H new ATOM 0 HB2 ASN A 399 2.334 -14.789 -4.488 1.00 0.00 H new ATOM 0 HB3 ASN A 399 2.371 -16.251 -3.522 1.00 0.00 H new ATOM 0 HD21 ASN A 399 4.858 -15.789 -6.783 1.00 0.00 H new ATOM 0 HD22 ASN A 399 3.505 -14.692 -6.489 1.00 0.00 H new ATOM 608 N SER A 400 -0.066 -14.500 -4.137 1.00 0.00 N ATOM 609 CA SER A 400 -1.001 -13.391 -4.042 1.00 0.00 C ATOM 610 C SER A 400 -0.282 -12.067 -4.283 1.00 0.00 C ATOM 611 O SER A 400 0.429 -11.570 -3.411 1.00 0.00 O ATOM 612 CB SER A 400 -1.689 -13.379 -2.675 1.00 0.00 C ATOM 613 OG SER A 400 -1.557 -14.631 -2.027 1.00 0.00 O ATOM 0 H SER A 400 0.490 -14.659 -3.297 1.00 0.00 H new ATOM 0 HA SER A 400 -1.763 -13.520 -4.810 1.00 0.00 H new ATOM 0 HB2 SER A 400 -1.255 -12.596 -2.053 1.00 0.00 H new ATOM 0 HB3 SER A 400 -2.745 -13.139 -2.798 1.00 0.00 H new ATOM 0 HG SER A 400 -0.612 -14.800 -1.832 1.00 0.00 H new ATOM 619 N ILE A 401 -0.457 -11.508 -5.478 1.00 0.00 N ATOM 620 CA ILE A 401 0.190 -10.253 -5.834 1.00 0.00 C ATOM 621 C ILE A 401 -0.774 -9.070 -5.736 1.00 0.00 C ATOM 622 O ILE A 401 -1.869 -9.100 -6.297 1.00 0.00 O ATOM 623 CB ILE A 401 0.789 -10.329 -7.259 1.00 0.00 C ATOM 624 CG1 ILE A 401 1.973 -9.369 -7.393 1.00 0.00 C ATOM 625 CG2 ILE A 401 -0.267 -10.033 -8.316 1.00 0.00 C ATOM 626 CD1 ILE A 401 1.622 -7.928 -7.101 1.00 0.00 C ATOM 0 H ILE A 401 -1.041 -11.906 -6.214 1.00 0.00 H new ATOM 0 HA ILE A 401 0.995 -10.092 -5.117 1.00 0.00 H new ATOM 0 HB ILE A 401 1.147 -11.346 -7.422 1.00 0.00 H new ATOM 0 HG12 ILE A 401 2.765 -9.686 -6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 401 2.373 -9.439 -8.404 1.00 0.00 H new ATOM 0 HG21 ILE A 401 0.183 -10.094 -9.307 1.00 0.00 H new ATOM 0 HG22 ILE A 401 -1.074 -10.762 -8.239 1.00 0.00 H new ATOM 0 HG23 ILE A 401 -0.667 -9.031 -8.160 1.00 0.00 H new ATOM 0 HD11 ILE A 401 2.510 -7.307 -7.216 1.00 0.00 H new ATOM 0 HD12 ILE A 401 0.852 -7.593 -7.796 1.00 0.00 H new ATOM 0 HD13 ILE A 401 1.250 -7.844 -6.080 1.00 0.00 H new ATOM 638 N VAL A 402 -0.350 -8.027 -5.026 1.00 0.00 N ATOM 639 CA VAL A 402 -1.165 -6.830 -4.860 1.00 0.00 C ATOM 640 C VAL A 402 -0.337 -5.574 -5.113 1.00 0.00 C ATOM 641 O VAL A 402 0.879 -5.572 -4.924 1.00 0.00 O ATOM 642 CB VAL A 402 -1.780 -6.753 -3.450 1.00 0.00 C ATOM 643 CG1 VAL A 402 -2.751 -5.585 -3.351 1.00 0.00 C ATOM 644 CG2 VAL A 402 -2.469 -8.063 -3.097 1.00 0.00 C ATOM 0 H VAL A 402 0.555 -7.988 -4.557 1.00 0.00 H new ATOM 0 HA VAL A 402 -1.972 -6.890 -5.590 1.00 0.00 H new ATOM 0 HB VAL A 402 -0.977 -6.586 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 402 -3.175 -5.548 -2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 402 -2.222 -4.654 -3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 402 -3.552 -5.715 -4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 402 -2.898 -7.991 -2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 402 -3.261 -8.263 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 402 -1.742 -8.875 -3.122 1.00 0.00 H new ATOM 654 N GLU A 403 -1.002 -4.508 -5.547 1.00 0.00 N ATOM 655 CA GLU A 403 -0.321 -3.251 -5.830 1.00 0.00 C ATOM 656 C GLU A 403 -1.175 -2.055 -5.422 1.00 0.00 C ATOM 657 O GLU A 403 -2.327 -1.930 -5.838 1.00 0.00 O ATOM 658 CB GLU A 403 0.026 -3.159 -7.317 1.00 0.00 C ATOM 659 CG GLU A 403 1.100 -4.141 -7.753 1.00 0.00 C ATOM 660 CD GLU A 403 0.869 -4.675 -9.153 1.00 0.00 C ATOM 661 OE1 GLU A 403 0.818 -3.860 -10.098 1.00 0.00 O ATOM 662 OE2 GLU A 403 0.740 -5.908 -9.304 1.00 0.00 O ATOM 0 H GLU A 403 -2.009 -4.490 -5.710 1.00 0.00 H new ATOM 0 HA GLU A 403 0.598 -3.230 -5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 403 -0.876 -3.336 -7.903 1.00 0.00 H new ATOM 0 HB3 GLU A 403 0.359 -2.146 -7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 403 2.073 -3.652 -7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 403 1.132 -4.974 -7.051 1.00 0.00 H new ATOM 669 N CYS A 404 -0.598 -1.175 -4.610 1.00 0.00 N ATOM 670 CA CYS A 404 -1.297 0.018 -4.150 1.00 0.00 C ATOM 671 C CYS A 404 -1.104 1.164 -5.136 1.00 0.00 C ATOM 672 O CYS A 404 0.011 1.648 -5.325 1.00 0.00 O ATOM 673 CB CYS A 404 -0.791 0.429 -2.766 1.00 0.00 C ATOM 674 SG CYS A 404 -1.550 1.937 -2.116 1.00 0.00 S ATOM 0 H CYS A 404 0.354 -1.267 -4.257 1.00 0.00 H new ATOM 0 HA CYS A 404 -2.361 -0.211 -4.084 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -0.975 -0.387 -2.067 1.00 0.00 H new ATOM 0 HB3 CYS A 404 0.289 0.571 -2.814 1.00 0.00 H new ATOM 0 HG CYS A 404 -2.266 1.647 -1.070 1.00 0.00 H new ATOM 680 N ARG A 405 -2.194 1.592 -5.762 1.00 0.00 N ATOM 681 CA ARG A 405 -2.141 2.677 -6.729 1.00 0.00 C ATOM 682 C ARG A 405 -2.847 3.918 -6.197 1.00 0.00 C ATOM 683 O ARG A 405 -3.895 3.822 -5.558 1.00 0.00 O ATOM 684 CB ARG A 405 -2.777 2.244 -8.051 1.00 0.00 C ATOM 685 CG ARG A 405 -4.218 1.783 -7.910 1.00 0.00 C ATOM 686 CD ARG A 405 -4.817 1.405 -9.256 1.00 0.00 C ATOM 687 NE ARG A 405 -4.119 0.276 -9.868 1.00 0.00 N ATOM 688 CZ ARG A 405 -4.541 -0.349 -10.966 1.00 0.00 C ATOM 689 NH1 ARG A 405 -5.654 0.042 -11.574 1.00 0.00 N ATOM 690 NH2 ARG A 405 -3.847 -1.366 -11.456 1.00 0.00 N ATOM 0 H ARG A 405 -3.125 1.202 -5.616 1.00 0.00 H new ATOM 0 HA ARG A 405 -1.093 2.923 -6.900 1.00 0.00 H new ATOM 0 HB2 ARG A 405 -2.738 3.077 -8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 405 -2.186 1.436 -8.481 1.00 0.00 H new ATOM 0 HG2 ARG A 405 -4.263 0.927 -7.237 1.00 0.00 H new ATOM 0 HG3 ARG A 405 -4.812 2.576 -7.456 1.00 0.00 H new ATOM 0 HD2 ARG A 405 -5.870 1.153 -9.127 1.00 0.00 H new ATOM 0 HD3 ARG A 405 -4.774 2.264 -9.926 1.00 0.00 H new ATOM 0 HE ARG A 405 -3.259 -0.052 -9.429 1.00 0.00 H new ATOM 0 HH11 ARG A 405 -6.191 0.825 -11.201 1.00 0.00 H new ATOM 0 HH12 ARG A 405 -5.972 -0.440 -12.414 1.00 0.00 H new ATOM 0 HH21 ARG A 405 -2.991 -1.669 -10.992 1.00 0.00 H new ATOM 0 HH22 ARG A 405 -4.169 -1.845 -12.297 1.00 0.00 H new ATOM 702 N VAL A 406 -2.265 5.079 -6.465 1.00 0.00 N ATOM 703 CA VAL A 406 -2.839 6.340 -6.013 1.00 0.00 C ATOM 704 C VAL A 406 -3.815 6.898 -7.045 1.00 0.00 C ATOM 705 O VAL A 406 -3.845 6.449 -8.190 1.00 0.00 O ATOM 706 CB VAL A 406 -1.747 7.390 -5.735 1.00 0.00 C ATOM 707 CG1 VAL A 406 -0.872 6.955 -4.570 1.00 0.00 C ATOM 708 CG2 VAL A 406 -0.907 7.631 -6.982 1.00 0.00 C ATOM 0 H VAL A 406 -1.397 5.174 -6.992 1.00 0.00 H new ATOM 0 HA VAL A 406 -3.372 6.130 -5.086 1.00 0.00 H new ATOM 0 HB VAL A 406 -2.232 8.328 -5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 406 -0.106 7.709 -4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 406 -1.486 6.839 -3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 406 -0.395 6.004 -4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 406 -0.141 8.376 -6.766 1.00 0.00 H new ATOM 0 HG22 VAL A 406 -0.431 6.699 -7.286 1.00 0.00 H new ATOM 0 HG23 VAL A 406 -1.547 7.991 -7.788 1.00 0.00 H new ATOM 744 N THR A 410 -0.339 5.940 -10.070 1.00 0.00 N ATOM 745 CA THR A 410 1.027 5.473 -9.868 1.00 0.00 C ATOM 746 C THR A 410 1.107 4.545 -8.659 1.00 0.00 C ATOM 747 O THR A 410 0.772 4.936 -7.542 1.00 0.00 O ATOM 748 CB THR A 410 1.971 6.661 -9.678 1.00 0.00 C ATOM 749 OG1 THR A 410 1.935 7.515 -10.807 1.00 0.00 O ATOM 750 CG2 THR A 410 3.413 6.253 -9.456 1.00 0.00 C ATOM 0 HA THR A 410 1.332 4.916 -10.754 1.00 0.00 H new ATOM 0 HB THR A 410 1.614 7.172 -8.784 1.00 0.00 H new ATOM 0 HG1 THR A 410 1.022 7.552 -11.160 1.00 0.00 H new ATOM 0 HG21 THR A 410 4.028 7.144 -9.329 1.00 0.00 H new ATOM 0 HG22 THR A 410 3.482 5.634 -8.562 1.00 0.00 H new ATOM 0 HG23 THR A 410 3.768 5.687 -10.318 1.00 0.00 H new ATOM 758 N VAL A 411 1.555 3.315 -8.889 1.00 0.00 N ATOM 759 CA VAL A 411 1.680 2.337 -7.816 1.00 0.00 C ATOM 760 C VAL A 411 2.853 2.675 -6.905 1.00 0.00 C ATOM 761 O VAL A 411 4.009 2.659 -7.330 1.00 0.00 O ATOM 762 CB VAL A 411 1.862 0.909 -8.368 1.00 0.00 C ATOM 763 CG1 VAL A 411 1.821 -0.110 -7.241 1.00 0.00 C ATOM 764 CG2 VAL A 411 0.799 0.602 -9.413 1.00 0.00 C ATOM 0 H VAL A 411 1.837 2.973 -9.808 1.00 0.00 H new ATOM 0 HA VAL A 411 0.754 2.375 -7.243 1.00 0.00 H new ATOM 0 HB VAL A 411 2.839 0.846 -8.846 1.00 0.00 H new ATOM 0 HG11 VAL A 411 1.951 -1.111 -7.651 1.00 0.00 H new ATOM 0 HG12 VAL A 411 2.622 0.099 -6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 411 0.860 -0.049 -6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 411 0.943 -0.410 -9.792 1.00 0.00 H new ATOM 0 HG22 VAL A 411 -0.190 0.683 -8.961 1.00 0.00 H new ATOM 0 HG23 VAL A 411 0.882 1.312 -10.236 1.00 0.00 H new ATOM 774 N LEU A 412 2.547 2.986 -5.650 1.00 0.00 N ATOM 775 CA LEU A 412 3.572 3.335 -4.677 1.00 0.00 C ATOM 776 C LEU A 412 3.960 2.131 -3.822 1.00 0.00 C ATOM 777 O LEU A 412 5.038 2.106 -3.226 1.00 0.00 O ATOM 778 CB LEU A 412 3.081 4.469 -3.777 1.00 0.00 C ATOM 779 CG LEU A 412 4.159 5.459 -3.333 1.00 0.00 C ATOM 780 CD1 LEU A 412 4.254 6.620 -4.310 1.00 0.00 C ATOM 781 CD2 LEU A 412 3.871 5.966 -1.927 1.00 0.00 C ATOM 0 H LEU A 412 1.595 3.003 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 412 4.454 3.663 -5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 412 2.301 5.018 -4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 412 2.621 4.034 -2.889 1.00 0.00 H new ATOM 0 HG LEU A 412 5.118 4.941 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 412 5.026 7.313 -3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 412 4.508 6.242 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 412 3.296 7.138 -4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 412 4.648 6.669 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 412 2.903 6.467 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 412 3.855 5.125 -1.233 1.00 0.00 H new ATOM 793 N GLY A 413 3.078 1.137 -3.758 1.00 0.00 N ATOM 794 CA GLY A 413 3.358 -0.045 -2.961 1.00 0.00 C ATOM 795 C GLY A 413 3.030 -1.340 -3.680 1.00 0.00 C ATOM 796 O GLY A 413 1.861 -1.674 -3.870 1.00 0.00 O ATOM 0 H GLY A 413 2.180 1.128 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 413 4.412 -0.047 -2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 413 2.785 0.005 -2.035 1.00 0.00 H new ATOM 800 N THR A 414 4.067 -2.074 -4.074 1.00 0.00 N ATOM 801 CA THR A 414 3.894 -3.342 -4.767 1.00 0.00 C ATOM 802 C THR A 414 4.559 -4.474 -3.987 1.00 0.00 C ATOM 803 O THR A 414 5.750 -4.410 -3.685 1.00 0.00 O ATOM 804 CB THR A 414 4.488 -3.250 -6.171 1.00 0.00 C ATOM 805 OG1 THR A 414 3.771 -2.315 -6.958 1.00 0.00 O ATOM 806 CG2 THR A 414 4.492 -4.567 -6.918 1.00 0.00 C ATOM 0 H THR A 414 5.040 -1.808 -3.923 1.00 0.00 H new ATOM 0 HA THR A 414 2.828 -3.557 -4.843 1.00 0.00 H new ATOM 0 HB THR A 414 5.521 -2.937 -6.021 1.00 0.00 H new ATOM 0 HG1 THR A 414 4.167 -2.269 -7.853 1.00 0.00 H new ATOM 0 HG21 THR A 414 4.928 -4.423 -7.907 1.00 0.00 H new ATOM 0 HG22 THR A 414 5.081 -5.298 -6.364 1.00 0.00 H new ATOM 0 HG23 THR A 414 3.469 -4.929 -7.022 1.00 0.00 H new ATOM 814 N GLY A 415 3.786 -5.505 -3.660 1.00 0.00 N ATOM 815 CA GLY A 415 4.330 -6.627 -2.915 1.00 0.00 C ATOM 816 C GLY A 415 3.477 -7.875 -3.022 1.00 0.00 C ATOM 817 O GLY A 415 2.250 -7.793 -3.100 1.00 0.00 O ATOM 0 H GLY A 415 2.797 -5.584 -3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 415 5.333 -6.846 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 415 4.426 -6.348 -1.866 1.00 0.00 H new ATOM 821 N VAL A 416 4.128 -9.033 -3.025 1.00 0.00 N ATOM 822 CA VAL A 416 3.433 -10.306 -3.120 1.00 0.00 C ATOM 823 C VAL A 416 3.222 -10.916 -1.737 1.00 0.00 C ATOM 824 O VAL A 416 3.869 -10.517 -0.769 1.00 0.00 O ATOM 825 CB VAL A 416 4.225 -11.295 -3.992 1.00 0.00 C ATOM 826 CG1 VAL A 416 3.447 -12.587 -4.193 1.00 0.00 C ATOM 827 CG2 VAL A 416 4.583 -10.664 -5.330 1.00 0.00 C ATOM 0 H VAL A 416 5.143 -9.113 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 416 2.463 -10.117 -3.579 1.00 0.00 H new ATOM 0 HB VAL A 416 5.151 -11.539 -3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 416 4.029 -13.269 -4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 416 3.255 -13.050 -3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 416 2.499 -12.368 -4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 416 5.143 -11.380 -5.932 1.00 0.00 H new ATOM 0 HG22 VAL A 416 3.670 -10.383 -5.856 1.00 0.00 H new ATOM 0 HG23 VAL A 416 5.193 -9.776 -5.162 1.00 0.00 H new ATOM 837 N GLY A 417 2.315 -11.882 -1.649 1.00 0.00 N ATOM 838 CA GLY A 417 2.041 -12.528 -0.378 1.00 0.00 C ATOM 839 C GLY A 417 1.336 -13.861 -0.540 1.00 0.00 C ATOM 840 O GLY A 417 0.919 -14.220 -1.642 1.00 0.00 O ATOM 0 H GLY A 417 1.765 -12.230 -2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 417 2.978 -12.680 0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 417 1.427 -11.869 0.235 1.00 0.00 H new ATOM 844 N ARG A 418 1.201 -14.593 0.561 1.00 0.00 N ATOM 845 CA ARG A 418 0.539 -15.893 0.538 1.00 0.00 C ATOM 846 C ARG A 418 -0.975 -15.728 0.454 1.00 0.00 C ATOM 847 O ARG A 418 -1.670 -16.563 -0.126 1.00 0.00 O ATOM 848 CB ARG A 418 0.911 -16.701 1.785 1.00 0.00 C ATOM 849 CG ARG A 418 1.990 -17.742 1.536 1.00 0.00 C ATOM 850 CD ARG A 418 2.183 -18.645 2.744 1.00 0.00 C ATOM 851 NE ARG A 418 3.325 -19.542 2.580 1.00 0.00 N ATOM 852 CZ ARG A 418 3.920 -20.176 3.587 1.00 0.00 C ATOM 853 NH1 ARG A 418 3.486 -20.017 4.830 1.00 0.00 N ATOM 854 NH2 ARG A 418 4.955 -20.972 3.350 1.00 0.00 N ATOM 0 H ARG A 418 1.541 -14.309 1.480 1.00 0.00 H new ATOM 0 HA ARG A 418 0.877 -16.432 -0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 418 1.250 -16.017 2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 418 0.019 -17.198 2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 418 1.722 -18.345 0.669 1.00 0.00 H new ATOM 0 HG3 ARG A 418 2.930 -17.244 1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 418 2.327 -18.033 3.635 1.00 0.00 H new ATOM 0 HD3 ARG A 418 1.280 -19.234 2.905 1.00 0.00 H new ATOM 0 HE ARG A 418 3.687 -19.691 1.638 1.00 0.00 H new ATOM 0 HH11 ARG A 418 2.692 -19.406 5.019 1.00 0.00 H new ATOM 0 HH12 ARG A 418 3.947 -20.506 5.598 1.00 0.00 H new ATOM 0 HH21 ARG A 418 5.294 -21.097 2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 418 5.412 -21.458 4.122 1.00 0.00 H new ATOM 866 N ASN A 419 -1.478 -14.643 1.033 1.00 0.00 N ATOM 867 CA ASN A 419 -2.909 -14.362 1.022 1.00 0.00 C ATOM 868 C ASN A 419 -3.163 -12.875 0.800 1.00 0.00 C ATOM 869 O ASN A 419 -2.230 -12.102 0.583 1.00 0.00 O ATOM 870 CB ASN A 419 -3.549 -14.812 2.336 1.00 0.00 C ATOM 871 CG ASN A 419 -3.194 -16.243 2.691 1.00 0.00 C ATOM 872 OD1 ASN A 419 -3.897 -17.181 2.314 1.00 0.00 O ATOM 873 ND2 ASN A 419 -2.098 -16.417 3.420 1.00 0.00 N ATOM 0 H ASN A 419 -0.915 -13.943 1.516 1.00 0.00 H new ATOM 0 HA ASN A 419 -3.360 -14.918 0.200 1.00 0.00 H new ATOM 0 HB2 ASN A 419 -3.226 -14.150 3.140 1.00 0.00 H new ATOM 0 HB3 ASN A 419 -4.632 -14.717 2.261 1.00 0.00 H new ATOM 0 HD21 ASN A 419 -1.809 -17.357 3.690 1.00 0.00 H new ATOM 0 HD22 ASN A 419 -1.545 -15.610 3.710 1.00 0.00 H new ATOM 880 N ILE A 420 -4.431 -12.480 0.853 1.00 0.00 N ATOM 881 CA ILE A 420 -4.801 -11.083 0.656 1.00 0.00 C ATOM 882 C ILE A 420 -4.284 -10.209 1.794 1.00 0.00 C ATOM 883 O ILE A 420 -3.926 -9.050 1.587 1.00 0.00 O ATOM 884 CB ILE A 420 -6.327 -10.901 0.539 1.00 0.00 C ATOM 885 CG1 ILE A 420 -7.054 -11.755 1.582 1.00 0.00 C ATOM 886 CG2 ILE A 420 -6.793 -11.232 -0.874 1.00 0.00 C ATOM 887 CD1 ILE A 420 -7.607 -13.044 1.029 1.00 0.00 C ATOM 0 H ILE A 420 -5.217 -13.105 1.030 1.00 0.00 H new ATOM 0 HA ILE A 420 -4.339 -10.773 -0.281 1.00 0.00 H new ATOM 0 HB ILE A 420 -6.572 -9.858 0.738 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -6.365 -11.984 2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -7.870 -11.173 2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -7.873 -11.099 -0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -6.300 -10.568 -1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -6.540 -12.266 -1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -8.108 -13.596 1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -8.321 -12.823 0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 420 -6.793 -13.646 0.627 1.00 0.00 H new ATOM 899 N LYS A 421 -4.249 -10.773 2.997 1.00 0.00 N ATOM 900 CA LYS A 421 -3.778 -10.045 4.169 1.00 0.00 C ATOM 901 C LYS A 421 -2.280 -9.778 4.079 1.00 0.00 C ATOM 902 O LYS A 421 -1.814 -8.677 4.371 1.00 0.00 O ATOM 903 CB LYS A 421 -4.090 -10.830 5.444 1.00 0.00 C ATOM 904 CG LYS A 421 -5.576 -10.906 5.765 1.00 0.00 C ATOM 905 CD LYS A 421 -5.841 -10.686 7.247 1.00 0.00 C ATOM 906 CE LYS A 421 -6.195 -11.986 7.950 1.00 0.00 C ATOM 907 NZ LYS A 421 -6.988 -11.749 9.188 1.00 0.00 N ATOM 0 H LYS A 421 -4.541 -11.732 3.185 1.00 0.00 H new ATOM 0 HA LYS A 421 -4.299 -9.088 4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -3.696 -11.841 5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -3.569 -10.367 6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -6.113 -10.157 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.964 -11.880 5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -4.959 -10.247 7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -6.655 -9.972 7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -6.763 -12.623 7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -5.281 -12.523 8.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -7.209 -12.660 9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -6.437 -11.162 9.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -7.873 -11.259 8.945 1.00 0.00 H new ATOM 921 N ILE A 422 -1.532 -10.796 3.673 1.00 0.00 N ATOM 922 CA ILE A 422 -0.084 -10.680 3.541 1.00 0.00 C ATOM 923 C ILE A 422 0.287 -9.750 2.391 1.00 0.00 C ATOM 924 O ILE A 422 0.967 -8.744 2.587 1.00 0.00 O ATOM 925 CB ILE A 422 0.574 -12.059 3.318 1.00 0.00 C ATOM 926 CG1 ILE A 422 0.436 -12.922 4.574 1.00 0.00 C ATOM 927 CG2 ILE A 422 2.043 -11.907 2.939 1.00 0.00 C ATOM 928 CD1 ILE A 422 -0.960 -13.464 4.786 1.00 0.00 C ATOM 0 H ILE A 422 -1.904 -11.714 3.429 1.00 0.00 H new ATOM 0 HA ILE A 422 0.290 -10.261 4.475 1.00 0.00 H new ATOM 0 HB ILE A 422 0.059 -12.552 2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 422 1.135 -13.756 4.510 1.00 0.00 H new ATOM 0 HG13 ILE A 422 0.723 -12.331 5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 422 2.484 -12.892 2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 422 2.123 -11.328 2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 422 2.574 -11.392 3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 422 -0.983 -14.066 5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 422 -1.661 -12.635 4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 422 -1.244 -14.082 3.934 1.00 0.00 H new ATOM 940 N ALA A 423 -0.161 -10.101 1.194 1.00 0.00 N ATOM 941 CA ALA A 423 0.125 -9.305 0.007 1.00 0.00 C ATOM 942 C ALA A 423 -0.179 -7.831 0.246 1.00 0.00 C ATOM 943 O ALA A 423 0.528 -6.952 -0.247 1.00 0.00 O ATOM 944 CB ALA A 423 -0.668 -9.824 -1.184 1.00 0.00 C ATOM 0 H ALA A 423 -0.725 -10.933 1.018 1.00 0.00 H new ATOM 0 HA ALA A 423 1.189 -9.398 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 423 -0.443 -9.219 -2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 423 -0.395 -10.861 -1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 423 -1.734 -9.764 -0.965 1.00 0.00 H new ATOM 950 N GLY A 424 -1.231 -7.567 1.014 1.00 0.00 N ATOM 951 CA GLY A 424 -1.603 -6.197 1.314 1.00 0.00 C ATOM 952 C GLY A 424 -0.576 -5.508 2.189 1.00 0.00 C ATOM 953 O GLY A 424 -0.204 -4.363 1.936 1.00 0.00 O ATOM 0 H GLY A 424 -1.832 -8.277 1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -1.718 -5.641 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -2.571 -6.186 1.814 1.00 0.00 H new ATOM 957 N ILE A 425 -0.111 -6.212 3.216 1.00 0.00 N ATOM 958 CA ILE A 425 0.886 -5.666 4.124 1.00 0.00 C ATOM 959 C ILE A 425 2.225 -5.507 3.413 1.00 0.00 C ATOM 960 O ILE A 425 2.956 -4.546 3.646 1.00 0.00 O ATOM 961 CB ILE A 425 1.072 -6.566 5.361 1.00 0.00 C ATOM 962 CG1 ILE A 425 -0.256 -6.736 6.100 1.00 0.00 C ATOM 963 CG2 ILE A 425 2.130 -5.991 6.291 1.00 0.00 C ATOM 964 CD1 ILE A 425 -0.452 -8.120 6.677 1.00 0.00 C ATOM 0 H ILE A 425 -0.410 -7.162 3.439 1.00 0.00 H new ATOM 0 HA ILE A 425 0.528 -4.690 4.452 1.00 0.00 H new ATOM 0 HB ILE A 425 1.410 -7.546 5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 425 -0.311 -6.004 6.906 1.00 0.00 H new ATOM 0 HG13 ILE A 425 -1.075 -6.517 5.415 1.00 0.00 H new ATOM 0 HG21 ILE A 425 2.245 -6.642 7.158 1.00 0.00 H new ATOM 0 HG22 ILE A 425 3.080 -5.920 5.762 1.00 0.00 H new ATOM 0 HG23 ILE A 425 1.824 -4.998 6.621 1.00 0.00 H new ATOM 0 HD11 ILE A 425 -1.414 -8.169 7.187 1.00 0.00 H new ATOM 0 HD12 ILE A 425 -0.430 -8.856 5.873 1.00 0.00 H new ATOM 0 HD13 ILE A 425 0.346 -8.334 7.388 1.00 0.00 H new ATOM 976 N ARG A 426 2.535 -6.460 2.540 1.00 0.00 N ATOM 977 CA ARG A 426 3.782 -6.431 1.789 1.00 0.00 C ATOM 978 C ARG A 426 3.814 -5.232 0.851 1.00 0.00 C ATOM 979 O ARG A 426 4.827 -4.541 0.742 1.00 0.00 O ATOM 980 CB ARG A 426 3.956 -7.728 0.994 1.00 0.00 C ATOM 981 CG ARG A 426 5.367 -8.291 1.049 1.00 0.00 C ATOM 982 CD ARG A 426 6.054 -8.217 -0.306 1.00 0.00 C ATOM 983 NE ARG A 426 7.069 -9.255 -0.463 1.00 0.00 N ATOM 984 CZ ARG A 426 7.737 -9.473 -1.594 1.00 0.00 C ATOM 985 NH1 ARG A 426 7.502 -8.728 -2.667 1.00 0.00 N ATOM 986 NH2 ARG A 426 8.646 -10.437 -1.652 1.00 0.00 N ATOM 0 H ARG A 426 1.938 -7.262 2.336 1.00 0.00 H new ATOM 0 HA ARG A 426 4.606 -6.340 2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 426 3.261 -8.475 1.377 1.00 0.00 H new ATOM 0 HB3 ARG A 426 3.687 -7.545 -0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 426 5.951 -7.738 1.784 1.00 0.00 H new ATOM 0 HG3 ARG A 426 5.333 -9.328 1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 426 5.309 -8.316 -1.096 1.00 0.00 H new ATOM 0 HD3 ARG A 426 6.516 -7.237 -0.425 1.00 0.00 H new ATOM 0 HE ARG A 426 7.278 -9.847 0.340 1.00 0.00 H new ATOM 0 HH11 ARG A 426 6.806 -7.983 -2.628 1.00 0.00 H new ATOM 0 HH12 ARG A 426 8.017 -8.900 -3.530 1.00 0.00 H new ATOM 0 HH21 ARG A 426 8.833 -11.011 -0.830 1.00 0.00 H new ATOM 0 HH22 ARG A 426 9.158 -10.604 -2.518 1.00 0.00 H new ATOM 998 N ALA A 427 2.694 -4.985 0.183 1.00 0.00 N ATOM 999 CA ALA A 427 2.591 -3.861 -0.738 1.00 0.00 C ATOM 1000 C ALA A 427 2.623 -2.545 0.025 1.00 0.00 C ATOM 1001 O ALA A 427 3.286 -1.591 -0.382 1.00 0.00 O ATOM 1002 CB ALA A 427 1.319 -3.968 -1.567 1.00 0.00 C ATOM 0 H ALA A 427 1.846 -5.547 0.262 1.00 0.00 H new ATOM 0 HA ALA A 427 3.445 -3.887 -1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 427 1.257 -3.121 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 427 1.335 -4.895 -2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 427 0.452 -3.965 -0.906 1.00 0.00 H new ATOM 1008 N ALA A 428 1.911 -2.509 1.144 1.00 0.00 N ATOM 1009 CA ALA A 428 1.861 -1.320 1.981 1.00 0.00 C ATOM 1010 C ALA A 428 3.208 -1.083 2.648 1.00 0.00 C ATOM 1011 O ALA A 428 3.661 0.054 2.774 1.00 0.00 O ATOM 1012 CB ALA A 428 0.768 -1.455 3.029 1.00 0.00 C ATOM 0 H ALA A 428 1.359 -3.293 1.493 1.00 0.00 H new ATOM 0 HA ALA A 428 1.632 -0.462 1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 428 0.744 -0.557 3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 428 -0.196 -1.582 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 428 0.971 -2.322 3.657 1.00 0.00 H new ATOM 1018 N GLU A 429 3.848 -2.169 3.063 1.00 0.00 N ATOM 1019 CA GLU A 429 5.151 -2.081 3.706 1.00 0.00 C ATOM 1020 C GLU A 429 6.205 -1.641 2.700 1.00 0.00 C ATOM 1021 O GLU A 429 7.081 -0.835 3.012 1.00 0.00 O ATOM 1022 CB GLU A 429 5.537 -3.426 4.323 1.00 0.00 C ATOM 1023 CG GLU A 429 4.995 -3.621 5.728 1.00 0.00 C ATOM 1024 CD GLU A 429 5.800 -4.623 6.532 1.00 0.00 C ATOM 1025 OE1 GLU A 429 7.032 -4.688 6.338 1.00 0.00 O ATOM 1026 OE2 GLU A 429 5.198 -5.343 7.356 1.00 0.00 O ATOM 0 H GLU A 429 3.487 -3.118 2.966 1.00 0.00 H new ATOM 0 HA GLU A 429 5.094 -1.339 4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 429 5.169 -4.229 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 429 6.624 -3.509 4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 429 4.992 -2.663 6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 429 3.959 -3.956 5.670 1.00 0.00 H new ATOM 1033 N ASN A 430 6.099 -2.166 1.485 1.00 0.00 N ATOM 1034 CA ASN A 430 7.031 -1.815 0.422 1.00 0.00 C ATOM 1035 C ASN A 430 6.909 -0.333 0.088 1.00 0.00 C ATOM 1036 O ASN A 430 7.879 0.308 -0.315 1.00 0.00 O ATOM 1037 CB ASN A 430 6.760 -2.660 -0.824 1.00 0.00 C ATOM 1038 CG ASN A 430 7.614 -3.911 -0.870 1.00 0.00 C ATOM 1039 OD1 ASN A 430 8.137 -4.358 0.152 1.00 0.00 O ATOM 1040 ND2 ASN A 430 7.762 -4.485 -2.058 1.00 0.00 N ATOM 0 H ASN A 430 5.379 -2.835 1.212 1.00 0.00 H new ATOM 0 HA ASN A 430 8.045 -2.017 0.766 1.00 0.00 H new ATOM 0 HB2 ASN A 430 5.707 -2.941 -0.847 1.00 0.00 H new ATOM 0 HB3 ASN A 430 6.950 -2.061 -1.715 1.00 0.00 H new ATOM 0 HD21 ASN A 430 8.327 -5.330 -2.150 1.00 0.00 H new ATOM 0 HD22 ASN A 430 7.311 -4.081 -2.879 1.00 0.00 H new ATOM 1047 N ALA A 431 5.705 0.205 0.268 1.00 0.00 N ATOM 1048 CA ALA A 431 5.444 1.612 -0.001 1.00 0.00 C ATOM 1049 C ALA A 431 5.958 2.485 1.139 1.00 0.00 C ATOM 1050 O ALA A 431 6.410 3.609 0.919 1.00 0.00 O ATOM 1051 CB ALA A 431 3.955 1.840 -0.214 1.00 0.00 C ATOM 0 H ALA A 431 4.894 -0.316 0.600 1.00 0.00 H new ATOM 0 HA ALA A 431 5.975 1.892 -0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 431 3.774 2.896 -0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 431 3.614 1.246 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 431 3.409 1.542 0.681 1.00 0.00 H new ATOM 1057 N LEU A 432 5.885 1.957 2.357 1.00 0.00 N ATOM 1058 CA LEU A 432 6.341 2.684 3.536 1.00 0.00 C ATOM 1059 C LEU A 432 7.848 2.527 3.730 1.00 0.00 C ATOM 1060 O LEU A 432 8.488 3.357 4.374 1.00 0.00 O ATOM 1061 CB LEU A 432 5.600 2.188 4.776 1.00 0.00 C ATOM 1062 CG LEU A 432 4.083 2.373 4.732 1.00 0.00 C ATOM 1063 CD1 LEU A 432 3.388 1.273 5.519 1.00 0.00 C ATOM 1064 CD2 LEU A 432 3.698 3.747 5.266 1.00 0.00 C ATOM 0 H LEU A 432 5.514 1.027 2.553 1.00 0.00 H new ATOM 0 HA LEU A 432 6.125 3.742 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 432 5.819 1.129 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 432 5.991 2.711 5.649 1.00 0.00 H new ATOM 0 HG LEU A 432 3.756 2.307 3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 432 2.309 1.421 5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 432 3.638 0.304 5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 432 3.718 1.305 6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 432 2.615 3.862 5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 432 4.037 3.845 6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 432 4.167 4.519 4.656 1.00 0.00 H new ATOM 1076 N ARG A 433 8.408 1.457 3.170 1.00 0.00 N ATOM 1077 CA ARG A 433 9.839 1.196 3.286 1.00 0.00 C ATOM 1078 C ARG A 433 10.654 2.362 2.737 1.00 0.00 C ATOM 1079 O ARG A 433 11.660 2.759 3.324 1.00 0.00 O ATOM 1080 CB ARG A 433 10.207 -0.093 2.548 1.00 0.00 C ATOM 1081 CG ARG A 433 9.961 -1.353 3.365 1.00 0.00 C ATOM 1082 CD ARG A 433 11.134 -2.316 3.283 1.00 0.00 C ATOM 1083 NE ARG A 433 10.846 -3.458 2.419 1.00 0.00 N ATOM 1084 CZ ARG A 433 11.520 -4.605 2.455 1.00 0.00 C ATOM 1085 NH1 ARG A 433 12.525 -4.766 3.307 1.00 0.00 N ATOM 1086 NH2 ARG A 433 11.191 -5.593 1.635 1.00 0.00 N ATOM 0 H ARG A 433 7.893 0.759 2.633 1.00 0.00 H new ATOM 0 HA ARG A 433 10.075 1.080 4.344 1.00 0.00 H new ATOM 0 HB2 ARG A 433 9.631 -0.150 1.624 1.00 0.00 H new ATOM 0 HB3 ARG A 433 11.259 -0.053 2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 433 9.785 -1.083 4.406 1.00 0.00 H new ATOM 0 HG3 ARG A 433 9.058 -1.848 3.007 1.00 0.00 H new ATOM 0 HD2 ARG A 433 12.010 -1.788 2.906 1.00 0.00 H new ATOM 0 HD3 ARG A 433 11.382 -2.672 4.283 1.00 0.00 H new ATOM 0 HE ARG A 433 10.083 -3.371 1.748 1.00 0.00 H new ATOM 0 HH11 ARG A 433 12.784 -4.008 3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 433 13.038 -5.647 3.330 1.00 0.00 H new ATOM 0 HH21 ARG A 433 10.421 -5.474 0.976 1.00 0.00 H new ATOM 0 HH22 ARG A 433 11.708 -6.472 1.663 1.00 0.00 H new ATOM 1098 N ASP A 434 10.209 2.906 1.612 1.00 0.00 N ATOM 1099 CA ASP A 434 10.893 4.031 0.984 1.00 0.00 C ATOM 1100 C ASP A 434 10.836 5.263 1.881 1.00 0.00 C ATOM 1101 O ASP A 434 10.004 6.148 1.684 1.00 0.00 O ATOM 1102 CB ASP A 434 10.267 4.343 -0.376 1.00 0.00 C ATOM 1103 CG ASP A 434 10.807 3.453 -1.479 1.00 0.00 C ATOM 1104 OD1 ASP A 434 12.015 3.138 -1.450 1.00 0.00 O ATOM 1105 OD2 ASP A 434 10.021 3.072 -2.372 1.00 0.00 O ATOM 0 H ASP A 434 9.377 2.587 1.115 1.00 0.00 H new ATOM 0 HA ASP A 434 11.937 3.756 0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 434 9.186 4.222 -0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 434 10.456 5.386 -0.629 1.00 0.00 H new ATOM 1110 N LYS A 435 11.726 5.310 2.867 1.00 0.00 N ATOM 1111 CA LYS A 435 11.781 6.430 3.801 1.00 0.00 C ATOM 1112 C LYS A 435 11.833 7.760 3.059 1.00 0.00 C ATOM 1113 O LYS A 435 11.207 8.737 3.471 1.00 0.00 O ATOM 1114 CB LYS A 435 12.994 6.293 4.722 1.00 0.00 C ATOM 1115 CG LYS A 435 12.635 6.243 6.198 1.00 0.00 C ATOM 1116 CD LYS A 435 12.247 7.616 6.722 1.00 0.00 C ATOM 1117 CE LYS A 435 12.368 7.688 8.236 1.00 0.00 C ATOM 1118 NZ LYS A 435 11.769 8.937 8.782 1.00 0.00 N ATOM 0 H LYS A 435 12.421 4.584 3.040 1.00 0.00 H new ATOM 0 HA LYS A 435 10.873 6.412 4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 435 13.539 5.387 4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 435 13.668 7.132 4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 435 11.810 5.548 6.350 1.00 0.00 H new ATOM 0 HG3 LYS A 435 13.482 5.861 6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 435 12.886 8.374 6.268 1.00 0.00 H new ATOM 0 HD3 LYS A 435 11.223 7.844 6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 435 11.875 6.824 8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 435 13.419 7.636 8.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 11.872 8.948 9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 12.256 9.762 8.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 10.760 8.975 8.534 1.00 0.00 H new ATOM 1132 N LYS A 436 12.578 7.789 1.961 1.00 0.00 N ATOM 1133 CA LYS A 436 12.703 8.999 1.161 1.00 0.00 C ATOM 1134 C LYS A 436 11.349 9.416 0.607 1.00 0.00 C ATOM 1135 O LYS A 436 10.841 10.495 0.914 1.00 0.00 O ATOM 1136 CB LYS A 436 13.691 8.781 0.014 1.00 0.00 C ATOM 1137 CG LYS A 436 14.813 9.805 -0.021 1.00 0.00 C ATOM 1138 CD LYS A 436 14.270 11.226 -0.056 1.00 0.00 C ATOM 1139 CE LYS A 436 14.749 11.977 -1.288 1.00 0.00 C ATOM 1140 NZ LYS A 436 14.093 11.485 -2.530 1.00 0.00 N ATOM 0 H LYS A 436 13.103 6.990 1.605 1.00 0.00 H new ATOM 0 HA LYS A 436 13.079 9.795 1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 436 14.122 7.784 0.101 1.00 0.00 H new ATOM 0 HB3 LYS A 436 13.150 8.813 -0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 436 15.449 9.679 0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 436 15.438 9.632 -0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 436 13.180 11.200 -0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 436 14.585 11.759 0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 436 14.544 13.041 -1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 436 15.830 11.869 -1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 436 14.447 12.023 -3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 436 14.309 10.476 -2.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 436 13.064 11.612 -2.452 1.00 0.00 H new ATOM 1154 N MET A 437 10.769 8.545 -0.206 1.00 0.00 N ATOM 1155 CA MET A 437 9.468 8.803 -0.806 1.00 0.00 C ATOM 1156 C MET A 437 8.411 9.025 0.272 1.00 0.00 C ATOM 1157 O MET A 437 7.411 9.706 0.043 1.00 0.00 O ATOM 1158 CB MET A 437 9.063 7.636 -1.710 1.00 0.00 C ATOM 1159 CG MET A 437 7.668 7.773 -2.301 1.00 0.00 C ATOM 1160 SD MET A 437 7.673 7.825 -4.105 1.00 0.00 S ATOM 1161 CE MET A 437 8.588 6.332 -4.483 1.00 0.00 C ATOM 0 H MET A 437 11.181 7.649 -0.466 1.00 0.00 H new ATOM 0 HA MET A 437 9.540 9.709 -1.408 1.00 0.00 H new ATOM 0 HB2 MET A 437 9.785 7.550 -2.522 1.00 0.00 H new ATOM 0 HB3 MET A 437 9.116 6.710 -1.138 1.00 0.00 H new ATOM 0 HG2 MET A 437 7.054 6.936 -1.968 1.00 0.00 H new ATOM 0 HG3 MET A 437 7.204 8.682 -1.917 1.00 0.00 H new ATOM 0 HE1 MET A 437 8.202 5.892 -5.402 1.00 0.00 H new ATOM 0 HE2 MET A 437 9.643 6.575 -4.612 1.00 0.00 H new ATOM 0 HE3 MET A 437 8.477 5.620 -3.665 1.00 0.00 H new ATOM 1171 N LEU A 438 8.639 8.452 1.449 1.00 0.00 N ATOM 1172 CA LEU A 438 7.707 8.596 2.557 1.00 0.00 C ATOM 1173 C LEU A 438 7.908 9.933 3.257 1.00 0.00 C ATOM 1174 O LEU A 438 6.954 10.542 3.743 1.00 0.00 O ATOM 1175 CB LEU A 438 7.879 7.450 3.556 1.00 0.00 C ATOM 1176 CG LEU A 438 6.595 7.017 4.263 1.00 0.00 C ATOM 1177 CD1 LEU A 438 5.969 8.195 4.992 1.00 0.00 C ATOM 1178 CD2 LEU A 438 5.615 6.422 3.264 1.00 0.00 C ATOM 0 H LEU A 438 9.460 7.885 1.658 1.00 0.00 H new ATOM 0 HA LEU A 438 6.694 8.561 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 438 8.296 6.590 3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 438 8.608 7.749 4.309 1.00 0.00 H new ATOM 0 HG LEU A 438 6.843 6.251 4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 438 5.056 7.871 5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 438 6.670 8.579 5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 438 5.732 8.982 4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 438 4.706 6.118 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 438 5.369 7.167 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 438 6.066 5.553 2.785 1.00 0.00 H new ATOM 1190 N ASP A 439 9.155 10.392 3.297 1.00 0.00 N ATOM 1191 CA ASP A 439 9.479 11.663 3.929 1.00 0.00 C ATOM 1192 C ASP A 439 8.997 12.823 3.067 1.00 0.00 C ATOM 1193 O ASP A 439 8.536 13.842 3.579 1.00 0.00 O ATOM 1194 CB ASP A 439 10.987 11.773 4.168 1.00 0.00 C ATOM 1195 CG ASP A 439 11.343 11.737 5.642 1.00 0.00 C ATOM 1196 OD1 ASP A 439 10.569 11.147 6.424 1.00 0.00 O ATOM 1197 OD2 ASP A 439 12.396 12.297 6.012 1.00 0.00 O ATOM 0 H ASP A 439 9.956 9.902 2.899 1.00 0.00 H new ATOM 0 HA ASP A 439 8.970 11.708 4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 439 11.494 10.956 3.655 1.00 0.00 H new ATOM 0 HB3 ASP A 439 11.355 12.701 3.731 1.00 0.00 H new ATOM 1202 N PHE A 440 9.098 12.654 1.752 1.00 0.00 N ATOM 1203 CA PHE A 440 8.664 13.685 0.816 1.00 0.00 C ATOM 1204 C PHE A 440 7.186 13.997 1.017 1.00 0.00 C ATOM 1205 O PHE A 440 6.774 15.157 0.980 1.00 0.00 O ATOM 1206 CB PHE A 440 8.905 13.229 -0.620 1.00 0.00 C ATOM 1207 CG PHE A 440 10.063 13.919 -1.284 1.00 0.00 C ATOM 1208 CD1 PHE A 440 11.268 14.074 -0.619 1.00 0.00 C ATOM 1209 CD2 PHE A 440 9.945 14.411 -2.574 1.00 0.00 C ATOM 1210 CE1 PHE A 440 12.335 14.708 -1.227 1.00 0.00 C ATOM 1211 CE2 PHE A 440 11.008 15.046 -3.188 1.00 0.00 C ATOM 1212 CZ PHE A 440 12.205 15.194 -2.514 1.00 0.00 C ATOM 0 H PHE A 440 9.476 11.815 1.312 1.00 0.00 H new ATOM 0 HA PHE A 440 9.244 14.588 1.005 1.00 0.00 H new ATOM 0 HB2 PHE A 440 9.082 12.153 -0.626 1.00 0.00 H new ATOM 0 HB3 PHE A 440 8.003 13.407 -1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 440 11.375 13.695 0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 440 9.012 14.297 -3.106 1.00 0.00 H new ATOM 0 HE1 PHE A 440 13.269 14.823 -0.697 1.00 0.00 H new ATOM 0 HE2 PHE A 440 10.903 15.426 -4.193 1.00 0.00 H new ATOM 0 HZ PHE A 440 13.038 15.689 -2.992 1.00 0.00 H new ATOM 1222 N TYR A 441 6.396 12.954 1.248 1.00 0.00 N ATOM 1223 CA TYR A 441 4.998 13.091 1.474 1.00 0.00 C ATOM 1224 C TYR A 441 4.784 13.619 2.870 1.00 0.00 C ATOM 1225 O TYR A 441 4.215 14.684 3.066 1.00 0.00 O ATOM 1226 CB TYR A 441 4.320 11.730 1.312 1.00 0.00 C ATOM 1227 CG TYR A 441 3.969 11.393 -0.115 1.00 0.00 C ATOM 1228 CD1 TYR A 441 4.956 11.160 -1.062 1.00 0.00 C ATOM 1229 CD2 TYR A 441 2.647 11.307 -0.513 1.00 0.00 C ATOM 1230 CE1 TYR A 441 4.630 10.850 -2.369 1.00 0.00 C ATOM 1231 CE2 TYR A 441 2.310 11.000 -1.810 1.00 0.00 C ATOM 1232 CZ TYR A 441 3.304 10.772 -2.739 1.00 0.00 C ATOM 1233 OH TYR A 441 2.971 10.463 -4.038 1.00 0.00 O ATOM 0 H TYR A 441 6.729 11.991 1.280 1.00 0.00 H new ATOM 0 HA TYR A 441 4.565 13.785 0.753 1.00 0.00 H new ATOM 0 HB2 TYR A 441 4.979 10.957 1.707 1.00 0.00 H new ATOM 0 HB3 TYR A 441 3.411 11.713 1.914 1.00 0.00 H new ATOM 0 HD1 TYR A 441 5.995 11.222 -0.773 1.00 0.00 H new ATOM 0 HD2 TYR A 441 1.864 11.485 0.209 1.00 0.00 H new ATOM 0 HE1 TYR A 441 5.409 10.670 -3.095 1.00 0.00 H new ATOM 0 HE2 TYR A 441 1.272 10.938 -2.100 1.00 0.00 H new ATOM 0 HH TYR A 441 2.112 9.991 -4.052 1.00 0.00 H new ATOM 1243 N ALA A 442 5.252 12.861 3.845 1.00 0.00 N ATOM 1244 CA ALA A 442 5.106 13.248 5.232 1.00 0.00 C ATOM 1245 C ALA A 442 5.462 14.712 5.443 1.00 0.00 C ATOM 1246 O ALA A 442 4.768 15.433 6.151 1.00 0.00 O ATOM 1247 CB ALA A 442 5.948 12.354 6.131 1.00 0.00 C ATOM 0 H ALA A 442 5.736 11.975 3.700 1.00 0.00 H new ATOM 0 HA ALA A 442 4.058 13.121 5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 442 5.824 12.662 7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 442 5.626 11.319 6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 442 6.998 12.440 5.850 1.00 0.00 H new ATOM 1253 N LYS A 443 6.530 15.162 4.810 1.00 0.00 N ATOM 1254 CA LYS A 443 6.933 16.555 4.951 1.00 0.00 C ATOM 1255 C LYS A 443 5.806 17.488 4.509 1.00 0.00 C ATOM 1256 O LYS A 443 5.755 18.650 4.910 1.00 0.00 O ATOM 1257 CB LYS A 443 8.208 16.836 4.156 1.00 0.00 C ATOM 1258 CG LYS A 443 9.466 16.843 5.007 1.00 0.00 C ATOM 1259 CD LYS A 443 9.660 15.518 5.727 1.00 0.00 C ATOM 1260 CE LYS A 443 10.320 15.710 7.083 1.00 0.00 C ATOM 1261 NZ LYS A 443 9.327 15.683 8.193 1.00 0.00 N ATOM 0 H LYS A 443 7.126 14.598 4.204 1.00 0.00 H new ATOM 0 HA LYS A 443 7.142 16.743 6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 443 8.312 16.083 3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 443 8.111 17.801 3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 443 10.332 17.046 4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 443 9.408 17.650 5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 443 8.694 15.029 5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 443 10.272 14.856 5.114 1.00 0.00 H new ATOM 0 HE2 LYS A 443 11.061 14.927 7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 443 10.853 16.661 7.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 9.817 15.817 9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 8.634 16.446 8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 8.836 14.766 8.197 1.00 0.00 H new ATOM 1275 N GLN A 444 4.896 16.960 3.698 1.00 0.00 N ATOM 1276 CA GLN A 444 3.756 17.724 3.216 1.00 0.00 C ATOM 1277 C GLN A 444 2.467 17.188 3.826 1.00 0.00 C ATOM 1278 O GLN A 444 1.735 17.915 4.498 1.00 0.00 O ATOM 1279 CB GLN A 444 3.679 17.667 1.688 1.00 0.00 C ATOM 1280 CG GLN A 444 5.022 17.869 1.004 1.00 0.00 C ATOM 1281 CD GLN A 444 5.443 19.324 0.966 1.00 0.00 C ATOM 1282 OE1 GLN A 444 6.514 19.685 1.455 1.00 0.00 O ATOM 1283 NE2 GLN A 444 4.601 20.169 0.382 1.00 0.00 N ATOM 0 H GLN A 444 4.928 15.998 3.360 1.00 0.00 H new ATOM 0 HA GLN A 444 3.884 18.763 3.519 1.00 0.00 H new ATOM 0 HB2 GLN A 444 3.269 16.702 1.389 1.00 0.00 H new ATOM 0 HB3 GLN A 444 2.984 18.431 1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 444 5.782 17.288 1.526 1.00 0.00 H new ATOM 0 HG3 GLN A 444 4.969 17.483 -0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 444 3.724 19.826 -0.010 1.00 0.00 H new ATOM 0 HE22 GLN A 444 4.831 21.161 0.325 1.00 0.00 H new ATOM 1292 N ARG A 445 2.198 15.908 3.591 1.00 0.00 N ATOM 1293 CA ARG A 445 1.003 15.265 4.119 1.00 0.00 C ATOM 1294 C ARG A 445 1.027 15.268 5.647 1.00 0.00 C ATOM 1295 O ARG A 445 -0.004 15.463 6.291 1.00 0.00 O ATOM 1296 CB ARG A 445 0.833 13.819 3.592 1.00 0.00 C ATOM 1297 CG ARG A 445 1.853 13.335 2.554 1.00 0.00 C ATOM 1298 CD ARG A 445 2.104 14.328 1.417 1.00 0.00 C ATOM 1299 NE ARG A 445 1.695 13.806 0.114 1.00 0.00 N ATOM 1300 CZ ARG A 445 2.255 14.173 -1.042 1.00 0.00 C ATOM 1301 NH1 ARG A 445 3.278 15.020 -1.058 1.00 0.00 N ATOM 1302 NH2 ARG A 445 1.785 13.696 -2.186 1.00 0.00 N ATOM 0 H ARG A 445 2.795 15.295 3.036 1.00 0.00 H new ATOM 0 HA ARG A 445 0.147 15.842 3.769 1.00 0.00 H new ATOM 0 HB2 ARG A 445 0.869 13.141 4.445 1.00 0.00 H new ATOM 0 HB3 ARG A 445 -0.162 13.731 3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 445 2.798 13.128 3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 445 1.505 12.393 2.130 1.00 0.00 H new ATOM 0 HD2 ARG A 445 1.563 15.252 1.620 1.00 0.00 H new ATOM 0 HD3 ARG A 445 3.164 14.580 1.387 1.00 0.00 H new ATOM 0 HE ARG A 445 0.939 13.122 0.086 1.00 0.00 H new ATOM 0 HH11 ARG A 445 3.643 15.396 -0.183 1.00 0.00 H new ATOM 0 HH12 ARG A 445 3.699 15.294 -1.946 1.00 0.00 H new ATOM 0 HH21 ARG A 445 0.996 13.049 -2.183 1.00 0.00 H new ATOM 0 HH22 ARG A 445 2.212 13.976 -3.069 1.00 0.00 H new ATOM 1314 N ALA A 446 2.210 15.065 6.222 1.00 0.00 N ATOM 1315 CA ALA A 446 2.362 15.060 7.676 1.00 0.00 C ATOM 1316 C ALA A 446 2.404 16.485 8.210 1.00 0.00 C ATOM 1317 O ALA A 446 1.946 16.761 9.319 1.00 0.00 O ATOM 1318 CB ALA A 446 3.623 14.310 8.087 1.00 0.00 C ATOM 0 H ALA A 446 3.075 14.902 5.706 1.00 0.00 H new ATOM 0 HA ALA A 446 1.501 14.547 8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 446 3.714 14.320 9.173 1.00 0.00 H new ATOM 0 HB2 ALA A 446 3.564 13.279 7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 446 4.494 14.794 7.645 1.00 0.00 H new