USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=16 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= -0.735 X(o=-0.73,f=-0.29) USER MOD Single : A 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 373 GLN :FLIP amide:sc= -4.97! C(o=-9.6!,f=-5!) USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 SER OG : rot -2:sc= -0.562 USER MOD Single : A 380 TYR OH : rot -148:sc= 1.3 USER MOD Single : A 382 SER OG : rot 180:sc= 0.0852 USER MOD Single : A 386 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 387 TYR OH : rot 36:sc= -4.23! USER MOD Single : A 389 THR OG1 : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -3.47! C(o=-3.5!,f=-12!) USER MOD Single : A 400 SER OG : rot -100:sc= -1.7 USER MOD Single : A 404 CYS SG : rot 118:sc= -1.3 USER MOD Single : A 410 THR OG1 : rot 29:sc= 0.093 USER MOD Single : A 414 THR OG1 : rot 180:sc= -0.59 USER MOD Single : A 419 ASN :FLIP amide:sc= -0.466 F(o=-2.5!,f=-0.47) USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.3) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 LYS NZ :NH3+ -160:sc=-0.00318 (180deg=-0.186) USER MOD Single : A 437 MET CE :methyl -165:sc= -0.0104 (180deg=-0.501) USER MOD Single : A 441 TYR OH : rot 30:sc= -0.43 USER MOD Single : A 443 LYS NZ :NH3+ -146:sc= -0.317 (180deg=-1.72!) USER MOD Single : A 444 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 102 N ASN A 369 -2.975 -2.702 9.404 1.00 0.00 N ATOM 103 CA ASN A 369 -2.617 -1.331 9.756 1.00 0.00 C ATOM 104 C ASN A 369 -1.584 -0.745 8.787 1.00 0.00 C ATOM 105 O ASN A 369 -1.192 0.413 8.919 1.00 0.00 O ATOM 106 CB ASN A 369 -2.089 -1.277 11.198 1.00 0.00 C ATOM 107 CG ASN A 369 -0.608 -1.605 11.311 1.00 0.00 C ATOM 108 OD1 ASN A 369 0.102 -1.034 12.137 1.00 0.00 O ATOM 109 ND2 ASN A 369 -0.135 -2.529 10.479 1.00 0.00 N ATOM 0 HA ASN A 369 -3.518 -0.722 9.680 1.00 0.00 H new ATOM 0 HB2 ASN A 369 -2.265 -0.281 11.605 1.00 0.00 H new ATOM 0 HB3 ASN A 369 -2.657 -1.977 11.811 1.00 0.00 H new ATOM 0 HD21 ASN A 369 0.851 -2.788 10.512 1.00 0.00 H new ATOM 0 HD22 ASN A 369 -0.758 -2.979 9.809 1.00 0.00 H new ATOM 116 N ALA A 370 -1.142 -1.540 7.818 1.00 0.00 N ATOM 117 CA ALA A 370 -0.164 -1.072 6.847 1.00 0.00 C ATOM 118 C ALA A 370 -0.793 -0.073 5.884 1.00 0.00 C ATOM 119 O ALA A 370 -0.140 0.870 5.437 1.00 0.00 O ATOM 120 CB ALA A 370 0.431 -2.246 6.083 1.00 0.00 C ATOM 0 H ALA A 370 -1.444 -2.505 7.686 1.00 0.00 H new ATOM 0 HA ALA A 370 0.637 -0.567 7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 370 1.160 -1.878 5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 370 0.922 -2.924 6.782 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -0.362 -2.778 5.558 1.00 0.00 H new ATOM 126 N LYS A 371 -2.069 -0.282 5.572 1.00 0.00 N ATOM 127 CA LYS A 371 -2.786 0.606 4.664 1.00 0.00 C ATOM 128 C LYS A 371 -3.157 1.910 5.360 1.00 0.00 C ATOM 129 O LYS A 371 -3.092 2.983 4.760 1.00 0.00 O ATOM 130 CB LYS A 371 -4.046 -0.079 4.134 1.00 0.00 C ATOM 131 CG LYS A 371 -4.513 0.462 2.791 1.00 0.00 C ATOM 132 CD LYS A 371 -5.761 1.318 2.937 1.00 0.00 C ATOM 133 CE LYS A 371 -6.595 1.308 1.666 1.00 0.00 C ATOM 134 NZ LYS A 371 -7.871 2.056 1.832 1.00 0.00 N ATOM 0 H LYS A 371 -2.626 -1.056 5.934 1.00 0.00 H new ATOM 0 HA LYS A 371 -2.128 0.836 3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -3.856 -1.148 4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -4.848 0.039 4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -3.716 1.053 2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -4.717 -0.368 2.115 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -6.360 0.950 3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -5.475 2.342 3.178 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -6.020 1.748 0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -6.812 0.278 1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -8.410 2.025 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -8.432 1.621 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -7.664 3.045 2.077 1.00 0.00 H new ATOM 148 N ARG A 372 -3.533 1.814 6.630 1.00 0.00 N ATOM 149 CA ARG A 372 -3.897 2.994 7.401 1.00 0.00 C ATOM 150 C ARG A 372 -2.652 3.816 7.703 1.00 0.00 C ATOM 151 O ARG A 372 -2.701 5.044 7.767 1.00 0.00 O ATOM 152 CB ARG A 372 -4.618 2.599 8.697 1.00 0.00 C ATOM 153 CG ARG A 372 -3.693 2.101 9.796 1.00 0.00 C ATOM 154 CD ARG A 372 -3.193 3.243 10.666 1.00 0.00 C ATOM 155 NE ARG A 372 -1.825 3.021 11.127 1.00 0.00 N ATOM 156 CZ ARG A 372 -1.509 2.274 12.182 1.00 0.00 C ATOM 157 NH1 ARG A 372 -2.457 1.670 12.887 1.00 0.00 N ATOM 158 NH2 ARG A 372 -0.239 2.128 12.533 1.00 0.00 N ATOM 0 H ARG A 372 -3.593 0.935 7.145 1.00 0.00 H new ATOM 0 HA ARG A 372 -4.584 3.601 6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -5.174 3.460 9.068 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -5.348 1.822 8.471 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -4.220 1.375 10.415 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -2.844 1.583 9.351 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -3.239 4.175 10.103 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -3.852 3.358 11.527 1.00 0.00 H new ATOM 0 HE ARG A 372 -1.067 3.465 10.609 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -3.436 1.777 12.622 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -2.207 1.099 13.694 1.00 0.00 H new ATOM 0 HH21 ARG A 372 0.495 2.588 11.995 1.00 0.00 H new ATOM 0 HH22 ARG A 372 0.004 1.556 13.342 1.00 0.00 H new ATOM 170 N GLN A 373 -1.529 3.122 7.866 1.00 0.00 N ATOM 171 CA GLN A 373 -0.256 3.773 8.136 1.00 0.00 C ATOM 172 C GLN A 373 0.106 4.692 6.978 1.00 0.00 C ATOM 173 O GLN A 373 0.475 5.850 7.178 1.00 0.00 O ATOM 174 CB GLN A 373 0.834 2.716 8.347 1.00 0.00 C ATOM 175 CG GLN A 373 2.243 3.284 8.406 1.00 0.00 C ATOM 176 CD GLN A 373 2.485 4.099 9.657 1.00 0.00 C ATOM 177 OE1 GLN A 373 1.832 5.248 9.738 1.00 0.00 O flip ATOM 178 NE2 GLN A 373 3.247 3.701 10.537 1.00 0.00 N flip ATOM 0 H GLN A 373 -1.478 2.105 7.815 1.00 0.00 H new ATOM 0 HA GLN A 373 -0.339 4.371 9.043 1.00 0.00 H new ATOM 0 HB2 GLN A 373 0.631 2.179 9.274 1.00 0.00 H new ATOM 0 HB3 GLN A 373 0.781 1.987 7.538 1.00 0.00 H new ATOM 0 HG2 GLN A 373 2.963 2.467 8.363 1.00 0.00 H new ATOM 0 HG3 GLN A 373 2.417 3.908 7.530 1.00 0.00 H new ATOM 0 HE21 GLN A 373 3.728 2.808 10.429 1.00 0.00 H new ATOM 0 HE22 GLN A 373 3.398 4.264 11.374 1.00 0.00 H new ATOM 187 N LEU A 374 -0.023 4.171 5.768 1.00 0.00 N ATOM 188 CA LEU A 374 0.269 4.944 4.575 1.00 0.00 C ATOM 189 C LEU A 374 -0.680 6.128 4.474 1.00 0.00 C ATOM 190 O LEU A 374 -0.255 7.281 4.417 1.00 0.00 O ATOM 191 CB LEU A 374 0.143 4.054 3.341 1.00 0.00 C ATOM 192 CG LEU A 374 1.329 4.103 2.377 1.00 0.00 C ATOM 193 CD1 LEU A 374 2.623 3.799 3.115 1.00 0.00 C ATOM 194 CD2 LEU A 374 1.120 3.121 1.232 1.00 0.00 C ATOM 0 H LEU A 374 -0.329 3.215 5.588 1.00 0.00 H new ATOM 0 HA LEU A 374 1.289 5.323 4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 374 0.005 3.024 3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 374 -0.758 4.339 2.798 1.00 0.00 H new ATOM 0 HG LEU A 374 1.400 5.108 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 374 3.458 3.838 2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 374 2.775 4.537 3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 374 2.565 2.804 3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 374 1.972 3.167 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 374 1.028 2.111 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 374 0.211 3.382 0.691 1.00 0.00 H new ATOM 206 N TYR A 375 -1.970 5.828 4.462 1.00 0.00 N ATOM 207 CA TYR A 375 -2.998 6.858 4.376 1.00 0.00 C ATOM 208 C TYR A 375 -2.887 7.840 5.539 1.00 0.00 C ATOM 209 O TYR A 375 -3.325 8.986 5.438 1.00 0.00 O ATOM 210 CB TYR A 375 -4.387 6.216 4.366 1.00 0.00 C ATOM 211 CG TYR A 375 -5.326 6.812 3.340 1.00 0.00 C ATOM 212 CD1 TYR A 375 -5.508 8.185 3.253 1.00 0.00 C ATOM 213 CD2 TYR A 375 -6.028 6.000 2.459 1.00 0.00 C ATOM 214 CE1 TYR A 375 -6.366 8.734 2.318 1.00 0.00 C ATOM 215 CE2 TYR A 375 -6.887 6.540 1.521 1.00 0.00 C ATOM 216 CZ TYR A 375 -7.052 7.907 1.454 1.00 0.00 C ATOM 217 OH TYR A 375 -7.906 8.449 0.522 1.00 0.00 O ATOM 0 H TYR A 375 -2.332 4.876 4.511 1.00 0.00 H new ATOM 0 HA TYR A 375 -2.850 7.409 3.447 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -4.283 5.148 4.173 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -4.832 6.319 5.356 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -4.970 8.836 3.927 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -5.900 4.929 2.508 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -6.498 9.805 2.265 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -7.426 5.894 0.844 1.00 0.00 H new ATOM 0 HH TYR A 375 -8.309 7.731 -0.009 1.00 0.00 H new ATOM 227 N SER A 376 -2.303 7.387 6.646 1.00 0.00 N ATOM 228 CA SER A 376 -2.146 8.234 7.822 1.00 0.00 C ATOM 229 C SER A 376 -0.815 8.984 7.799 1.00 0.00 C ATOM 230 O SER A 376 -0.590 9.880 8.614 1.00 0.00 O ATOM 231 CB SER A 376 -2.245 7.393 9.096 1.00 0.00 C ATOM 232 OG SER A 376 -1.154 6.494 9.199 1.00 0.00 O ATOM 0 H SER A 376 -1.933 6.442 6.752 1.00 0.00 H new ATOM 0 HA SER A 376 -2.950 8.970 7.809 1.00 0.00 H new ATOM 0 HB2 SER A 376 -2.264 8.048 9.967 1.00 0.00 H new ATOM 0 HB3 SER A 376 -3.181 6.835 9.096 1.00 0.00 H new ATOM 0 HG SER A 376 -0.580 6.585 8.410 1.00 0.00 H new ATOM 238 N LEU A 377 0.071 8.614 6.877 1.00 0.00 N ATOM 239 CA LEU A 377 1.376 9.259 6.782 1.00 0.00 C ATOM 240 C LEU A 377 1.567 9.986 5.450 1.00 0.00 C ATOM 241 O LEU A 377 2.434 10.849 5.333 1.00 0.00 O ATOM 242 CB LEU A 377 2.489 8.228 6.981 1.00 0.00 C ATOM 243 CG LEU A 377 2.995 8.092 8.420 1.00 0.00 C ATOM 244 CD1 LEU A 377 1.831 8.056 9.402 1.00 0.00 C ATOM 245 CD2 LEU A 377 3.855 6.847 8.563 1.00 0.00 C ATOM 0 H LEU A 377 -0.090 7.877 6.191 1.00 0.00 H new ATOM 0 HA LEU A 377 1.425 10.008 7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 377 2.128 7.256 6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 377 3.329 8.494 6.340 1.00 0.00 H new ATOM 0 HG LEU A 377 3.606 8.964 8.652 1.00 0.00 H new ATOM 0 HD11 LEU A 377 2.215 7.959 10.418 1.00 0.00 H new ATOM 0 HD12 LEU A 377 1.255 8.978 9.318 1.00 0.00 H new ATOM 0 HD13 LEU A 377 1.189 7.205 9.174 1.00 0.00 H new ATOM 0 HD21 LEU A 377 4.207 6.764 9.591 1.00 0.00 H new ATOM 0 HD22 LEU A 377 3.265 5.966 8.309 1.00 0.00 H new ATOM 0 HD23 LEU A 377 4.710 6.917 7.891 1.00 0.00 H new ATOM 257 N ILE A 378 0.764 9.642 4.446 1.00 0.00 N ATOM 258 CA ILE A 378 0.879 10.285 3.142 1.00 0.00 C ATOM 259 C ILE A 378 -0.487 10.574 2.526 1.00 0.00 C ATOM 260 O ILE A 378 -0.702 11.643 1.955 1.00 0.00 O ATOM 261 CB ILE A 378 1.724 9.439 2.163 1.00 0.00 C ATOM 262 CG1 ILE A 378 0.952 8.206 1.687 1.00 0.00 C ATOM 263 CG2 ILE A 378 3.031 9.025 2.821 1.00 0.00 C ATOM 264 CD1 ILE A 378 1.728 7.358 0.706 1.00 0.00 C ATOM 0 H ILE A 378 0.036 8.931 4.509 1.00 0.00 H new ATOM 0 HA ILE A 378 1.387 11.234 3.312 1.00 0.00 H new ATOM 0 HB ILE A 378 1.946 10.052 1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 378 0.684 7.597 2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 378 0.020 8.527 1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 378 3.618 8.429 2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 378 3.595 9.915 3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 378 2.819 8.434 3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 378 1.124 6.501 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 378 1.973 7.952 -0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 378 2.648 7.009 1.175 1.00 0.00 H new ATOM 276 N GLY A 379 -1.407 9.623 2.643 1.00 0.00 N ATOM 277 CA GLY A 379 -2.735 9.812 2.090 1.00 0.00 C ATOM 278 C GLY A 379 -3.448 11.006 2.694 1.00 0.00 C ATOM 279 O GLY A 379 -4.136 10.876 3.707 1.00 0.00 O ATOM 0 H GLY A 379 -1.258 8.728 3.109 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -2.661 9.944 1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -3.328 8.914 2.261 1.00 0.00 H new ATOM 283 N TYR A 380 -3.287 12.172 2.075 1.00 0.00 N ATOM 284 CA TYR A 380 -3.926 13.388 2.565 1.00 0.00 C ATOM 285 C TYR A 380 -5.157 13.738 1.733 1.00 0.00 C ATOM 286 O TYR A 380 -6.132 14.279 2.252 1.00 0.00 O ATOM 287 CB TYR A 380 -2.941 14.565 2.569 1.00 0.00 C ATOM 288 CG TYR A 380 -1.912 14.523 1.458 1.00 0.00 C ATOM 289 CD1 TYR A 380 -2.287 14.652 0.127 1.00 0.00 C ATOM 290 CD2 TYR A 380 -0.562 14.357 1.746 1.00 0.00 C ATOM 291 CE1 TYR A 380 -1.347 14.616 -0.886 1.00 0.00 C ATOM 292 CE2 TYR A 380 0.383 14.321 0.739 1.00 0.00 C ATOM 293 CZ TYR A 380 -0.014 14.450 -0.575 1.00 0.00 C ATOM 294 OH TYR A 380 0.924 14.415 -1.580 1.00 0.00 O ATOM 0 H TYR A 380 -2.721 12.300 1.236 1.00 0.00 H new ATOM 0 HA TYR A 380 -4.245 13.199 3.590 1.00 0.00 H new ATOM 0 HB2 TYR A 380 -3.504 15.495 2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 380 -2.422 14.586 3.528 1.00 0.00 H new ATOM 0 HD1 TYR A 380 -3.330 14.783 -0.121 1.00 0.00 H new ATOM 0 HD2 TYR A 380 -0.247 14.255 2.774 1.00 0.00 H new ATOM 0 HE1 TYR A 380 -1.655 14.717 -1.916 1.00 0.00 H new ATOM 0 HE2 TYR A 380 1.428 14.192 0.980 1.00 0.00 H new ATOM 0 HH TYR A 380 1.661 13.824 -1.319 1.00 0.00 H new ATOM 304 N ALA A 381 -5.105 13.427 0.440 1.00 0.00 N ATOM 305 CA ALA A 381 -6.220 13.710 -0.459 1.00 0.00 C ATOM 306 C ALA A 381 -5.888 13.314 -1.893 1.00 0.00 C ATOM 307 O ALA A 381 -6.375 12.301 -2.397 1.00 0.00 O ATOM 308 CB ALA A 381 -6.595 15.185 -0.394 1.00 0.00 C ATOM 0 H ALA A 381 -4.305 12.980 -0.007 1.00 0.00 H new ATOM 0 HA ALA A 381 -7.072 13.114 -0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 381 -7.428 15.379 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 381 -6.887 15.442 0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 381 -5.739 15.791 -0.690 1.00 0.00 H new ATOM 314 N SER A 382 -5.059 14.122 -2.547 1.00 0.00 N ATOM 315 CA SER A 382 -4.661 13.859 -3.928 1.00 0.00 C ATOM 316 C SER A 382 -4.117 12.442 -4.087 1.00 0.00 C ATOM 317 O SER A 382 -4.225 11.842 -5.156 1.00 0.00 O ATOM 318 CB SER A 382 -3.607 14.873 -4.377 1.00 0.00 C ATOM 319 OG SER A 382 -3.781 16.116 -3.716 1.00 0.00 O ATOM 0 H SER A 382 -4.649 14.965 -2.144 1.00 0.00 H new ATOM 0 HA SER A 382 -5.547 13.957 -4.555 1.00 0.00 H new ATOM 0 HB2 SER A 382 -2.611 14.483 -4.169 1.00 0.00 H new ATOM 0 HB3 SER A 382 -3.674 15.018 -5.455 1.00 0.00 H new ATOM 0 HG SER A 382 -3.094 16.746 -4.019 1.00 0.00 H new ATOM 325 N LEU A 383 -3.532 11.914 -3.017 1.00 0.00 N ATOM 326 CA LEU A 383 -2.972 10.568 -3.040 1.00 0.00 C ATOM 327 C LEU A 383 -4.045 9.526 -2.744 1.00 0.00 C ATOM 328 O LEU A 383 -4.153 9.032 -1.621 1.00 0.00 O ATOM 329 CB LEU A 383 -1.834 10.449 -2.025 1.00 0.00 C ATOM 330 CG LEU A 383 -0.670 9.554 -2.459 1.00 0.00 C ATOM 331 CD1 LEU A 383 0.142 10.229 -3.553 1.00 0.00 C ATOM 332 CD2 LEU A 383 0.213 9.214 -1.268 1.00 0.00 C ATOM 0 H LEU A 383 -3.433 12.397 -2.124 1.00 0.00 H new ATOM 0 HA LEU A 383 -2.579 10.383 -4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -1.447 11.447 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 383 -2.240 10.063 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 383 -1.078 8.626 -2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 383 0.965 9.579 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -0.497 10.421 -4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 383 0.541 11.172 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 383 1.035 8.577 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 383 0.614 10.132 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 383 -0.376 8.689 -0.516 1.00 0.00 H new ATOM 344 N ARG A 384 -4.839 9.194 -3.758 1.00 0.00 N ATOM 345 CA ARG A 384 -5.903 8.209 -3.605 1.00 0.00 C ATOM 346 C ARG A 384 -5.324 6.823 -3.336 1.00 0.00 C ATOM 347 O ARG A 384 -5.268 5.978 -4.231 1.00 0.00 O ATOM 348 CB ARG A 384 -6.781 8.175 -4.857 1.00 0.00 C ATOM 349 CG ARG A 384 -7.962 9.130 -4.797 1.00 0.00 C ATOM 350 CD ARG A 384 -8.530 9.404 -6.182 1.00 0.00 C ATOM 351 NE ARG A 384 -9.879 8.865 -6.337 1.00 0.00 N ATOM 352 CZ ARG A 384 -10.974 9.458 -5.864 1.00 0.00 C ATOM 353 NH1 ARG A 384 -10.882 10.606 -5.205 1.00 0.00 N ATOM 354 NH2 ARG A 384 -12.162 8.901 -6.050 1.00 0.00 N ATOM 0 H ARG A 384 -4.765 9.593 -4.694 1.00 0.00 H new ATOM 0 HA ARG A 384 -6.515 8.500 -2.751 1.00 0.00 H new ATOM 0 HB2 ARG A 384 -6.170 8.420 -5.726 1.00 0.00 H new ATOM 0 HB3 ARG A 384 -7.152 7.160 -5.003 1.00 0.00 H new ATOM 0 HG2 ARG A 384 -8.740 8.708 -4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 384 -7.649 10.068 -4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 384 -8.546 10.479 -6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 384 -7.876 8.966 -6.935 1.00 0.00 H new ATOM 0 HE ARG A 384 -9.989 7.983 -6.837 1.00 0.00 H new ATOM 0 HH11 ARG A 384 -9.970 11.038 -5.059 1.00 0.00 H new ATOM 0 HH12 ARG A 384 -11.723 11.056 -4.845 1.00 0.00 H new ATOM 0 HH21 ARG A 384 -12.238 8.018 -6.555 1.00 0.00 H new ATOM 0 HH22 ARG A 384 -13.000 9.355 -5.688 1.00 0.00 H new ATOM 366 N LEU A 385 -4.893 6.597 -2.100 1.00 0.00 N ATOM 367 CA LEU A 385 -4.315 5.314 -1.712 1.00 0.00 C ATOM 368 C LEU A 385 -5.303 4.175 -1.946 1.00 0.00 C ATOM 369 O LEU A 385 -6.255 3.999 -1.186 1.00 0.00 O ATOM 370 CB LEU A 385 -3.895 5.345 -0.240 1.00 0.00 C ATOM 371 CG LEU A 385 -3.262 4.053 0.282 1.00 0.00 C ATOM 372 CD1 LEU A 385 -1.751 4.200 0.377 1.00 0.00 C ATOM 373 CD2 LEU A 385 -3.848 3.678 1.635 1.00 0.00 C ATOM 0 H LEU A 385 -4.933 7.286 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 385 -3.436 5.139 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 385 -3.187 6.161 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -4.771 5.573 0.367 1.00 0.00 H new ATOM 0 HG LEU A 385 -3.486 3.252 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -1.318 3.272 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -1.344 4.420 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -1.507 5.014 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -3.385 2.757 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -3.656 4.479 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -4.923 3.529 1.537 1.00 0.00 H new ATOM 385 N HIS A 386 -5.066 3.404 -3.002 1.00 0.00 N ATOM 386 CA HIS A 386 -5.931 2.279 -3.337 1.00 0.00 C ATOM 387 C HIS A 386 -5.104 1.033 -3.635 1.00 0.00 C ATOM 388 O HIS A 386 -4.059 1.110 -4.280 1.00 0.00 O ATOM 389 CB HIS A 386 -6.811 2.624 -4.539 1.00 0.00 C ATOM 390 CG HIS A 386 -8.160 1.975 -4.498 1.00 0.00 C ATOM 391 ND1 HIS A 386 -9.122 2.297 -3.563 1.00 0.00 N ATOM 392 CD2 HIS A 386 -8.708 1.018 -5.284 1.00 0.00 C ATOM 393 CE1 HIS A 386 -10.201 1.565 -3.775 1.00 0.00 C ATOM 394 NE2 HIS A 386 -9.976 0.782 -4.814 1.00 0.00 N ATOM 0 H HIS A 386 -4.282 3.538 -3.641 1.00 0.00 H new ATOM 0 HA HIS A 386 -6.571 2.073 -2.479 1.00 0.00 H new ATOM 0 HB2 HIS A 386 -6.938 3.705 -4.587 1.00 0.00 H new ATOM 0 HB3 HIS A 386 -6.299 2.322 -5.453 1.00 0.00 H new ATOM 0 HD2 HIS A 386 -8.235 0.531 -6.124 1.00 0.00 H new ATOM 0 HE1 HIS A 386 -11.112 1.601 -3.197 1.00 0.00 H new ATOM 0 HE2 HIS A 386 -10.637 0.111 -5.204 1.00 0.00 H new ATOM 403 N TYR A 387 -5.575 -0.115 -3.157 1.00 0.00 N ATOM 404 CA TYR A 387 -4.874 -1.374 -3.368 1.00 0.00 C ATOM 405 C TYR A 387 -5.641 -2.283 -4.321 1.00 0.00 C ATOM 406 O TYR A 387 -6.787 -2.650 -4.060 1.00 0.00 O ATOM 407 CB TYR A 387 -4.648 -2.085 -2.035 1.00 0.00 C ATOM 408 CG TYR A 387 -3.489 -1.521 -1.250 1.00 0.00 C ATOM 409 CD1 TYR A 387 -3.590 -0.290 -0.618 1.00 0.00 C ATOM 410 CD2 TYR A 387 -2.290 -2.216 -1.148 1.00 0.00 C ATOM 411 CE1 TYR A 387 -2.531 0.235 0.095 1.00 0.00 C ATOM 412 CE2 TYR A 387 -1.226 -1.699 -0.437 1.00 0.00 C ATOM 413 CZ TYR A 387 -1.351 -0.473 0.183 1.00 0.00 C ATOM 414 OH TYR A 387 -0.292 0.047 0.891 1.00 0.00 O ATOM 0 H TYR A 387 -6.439 -0.198 -2.621 1.00 0.00 H new ATOM 0 HA TYR A 387 -3.909 -1.146 -3.820 1.00 0.00 H new ATOM 0 HB2 TYR A 387 -5.555 -2.014 -1.434 1.00 0.00 H new ATOM 0 HB3 TYR A 387 -4.471 -3.144 -2.221 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -4.513 0.267 -0.685 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -2.189 -3.176 -1.633 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -2.626 1.195 0.581 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -0.301 -2.251 -0.366 1.00 0.00 H new ATOM 0 HH TYR A 387 -0.628 0.531 1.674 1.00 0.00 H new ATOM 424 N VAL A 388 -4.998 -2.641 -5.427 1.00 0.00 N ATOM 425 CA VAL A 388 -5.610 -3.503 -6.423 1.00 0.00 C ATOM 426 C VAL A 388 -4.697 -4.681 -6.759 1.00 0.00 C ATOM 427 O VAL A 388 -3.553 -4.493 -7.171 1.00 0.00 O ATOM 428 CB VAL A 388 -5.919 -2.716 -7.709 1.00 0.00 C ATOM 429 CG1 VAL A 388 -6.496 -3.628 -8.784 1.00 0.00 C ATOM 430 CG2 VAL A 388 -6.870 -1.566 -7.411 1.00 0.00 C ATOM 0 H VAL A 388 -4.049 -2.344 -5.654 1.00 0.00 H new ATOM 0 HA VAL A 388 -6.541 -3.883 -6.002 1.00 0.00 H new ATOM 0 HB VAL A 388 -4.984 -2.303 -8.088 1.00 0.00 H new ATOM 0 HG11 VAL A 388 -6.705 -3.046 -9.681 1.00 0.00 H new ATOM 0 HG12 VAL A 388 -5.777 -4.413 -9.020 1.00 0.00 H new ATOM 0 HG13 VAL A 388 -7.419 -4.079 -8.421 1.00 0.00 H new ATOM 0 HG21 VAL A 388 -7.079 -1.019 -8.330 1.00 0.00 H new ATOM 0 HG22 VAL A 388 -7.801 -1.960 -7.004 1.00 0.00 H new ATOM 0 HG23 VAL A 388 -6.412 -0.894 -6.685 1.00 0.00 H new ATOM 440 N THR A 389 -5.212 -5.893 -6.584 1.00 0.00 N ATOM 441 CA THR A 389 -4.442 -7.098 -6.874 1.00 0.00 C ATOM 442 C THR A 389 -4.300 -7.294 -8.379 1.00 0.00 C ATOM 443 O THR A 389 -5.172 -6.891 -9.150 1.00 0.00 O ATOM 444 CB THR A 389 -5.110 -8.323 -6.248 1.00 0.00 C ATOM 445 OG1 THR A 389 -6.194 -8.769 -7.044 1.00 0.00 O ATOM 446 CG2 THR A 389 -5.639 -8.069 -4.853 1.00 0.00 C ATOM 0 H THR A 389 -6.158 -6.067 -6.243 1.00 0.00 H new ATOM 0 HA THR A 389 -3.448 -6.980 -6.442 1.00 0.00 H new ATOM 0 HB THR A 389 -4.327 -9.079 -6.191 1.00 0.00 H new ATOM 0 HG1 THR A 389 -6.606 -9.554 -6.626 1.00 0.00 H new ATOM 0 HG21 THR A 389 -6.100 -8.978 -4.468 1.00 0.00 H new ATOM 0 HG22 THR A 389 -4.817 -7.774 -4.200 1.00 0.00 H new ATOM 0 HG23 THR A 389 -6.381 -7.271 -4.885 1.00 0.00 H new ATOM 594 N ASN A 399 0.986 -16.197 -7.110 1.00 0.00 N ATOM 595 CA ASN A 399 1.152 -15.494 -5.844 1.00 0.00 C ATOM 596 C ASN A 399 0.188 -14.317 -5.756 1.00 0.00 C ATOM 597 O ASN A 399 -0.242 -13.777 -6.776 1.00 0.00 O ATOM 598 CB ASN A 399 2.596 -15.001 -5.694 1.00 0.00 C ATOM 599 CG ASN A 399 3.313 -15.640 -4.518 1.00 0.00 C ATOM 600 OD1 ASN A 399 4.089 -14.988 -3.821 1.00 0.00 O ATOM 601 ND2 ASN A 399 3.062 -16.922 -4.294 1.00 0.00 N ATOM 0 HA ASN A 399 0.930 -16.189 -5.034 1.00 0.00 H new ATOM 0 HB2 ASN A 399 3.146 -15.216 -6.610 1.00 0.00 H new ATOM 0 HB3 ASN A 399 2.595 -13.918 -5.569 1.00 0.00 H new ATOM 0 HD21 ASN A 399 3.519 -17.404 -3.520 1.00 0.00 H new ATOM 0 HD22 ASN A 399 2.411 -17.427 -4.896 1.00 0.00 H new ATOM 608 N SER A 400 -0.144 -13.914 -4.534 1.00 0.00 N ATOM 609 CA SER A 400 -1.048 -12.792 -4.327 1.00 0.00 C ATOM 610 C SER A 400 -0.293 -11.482 -4.478 1.00 0.00 C ATOM 611 O SER A 400 0.251 -10.951 -3.510 1.00 0.00 O ATOM 612 CB SER A 400 -1.698 -12.870 -2.944 1.00 0.00 C ATOM 613 OG SER A 400 -2.230 -14.162 -2.704 1.00 0.00 O ATOM 0 H SER A 400 0.199 -14.347 -3.676 1.00 0.00 H new ATOM 0 HA SER A 400 -1.835 -12.838 -5.079 1.00 0.00 H new ATOM 0 HB2 SER A 400 -0.961 -12.628 -2.178 1.00 0.00 H new ATOM 0 HB3 SER A 400 -2.492 -12.127 -2.869 1.00 0.00 H new ATOM 0 HG SER A 400 -3.197 -14.152 -2.861 1.00 0.00 H new ATOM 619 N ILE A 401 -0.249 -10.972 -5.702 1.00 0.00 N ATOM 620 CA ILE A 401 0.455 -9.733 -5.980 1.00 0.00 C ATOM 621 C ILE A 401 -0.497 -8.541 -5.936 1.00 0.00 C ATOM 622 O ILE A 401 -1.509 -8.512 -6.637 1.00 0.00 O ATOM 623 CB ILE A 401 1.181 -9.804 -7.351 1.00 0.00 C ATOM 624 CG1 ILE A 401 2.658 -9.446 -7.187 1.00 0.00 C ATOM 625 CG2 ILE A 401 0.527 -8.900 -8.390 1.00 0.00 C ATOM 626 CD1 ILE A 401 2.886 -8.085 -6.566 1.00 0.00 C ATOM 0 H ILE A 401 -0.693 -11.399 -6.515 1.00 0.00 H new ATOM 0 HA ILE A 401 1.207 -9.595 -5.203 1.00 0.00 H new ATOM 0 HB ILE A 401 1.099 -10.829 -7.713 1.00 0.00 H new ATOM 0 HG12 ILE A 401 3.140 -10.203 -6.569 1.00 0.00 H new ATOM 0 HG13 ILE A 401 3.141 -9.476 -8.164 1.00 0.00 H new ATOM 0 HG21 ILE A 401 1.067 -8.981 -9.334 1.00 0.00 H new ATOM 0 HG22 ILE A 401 -0.509 -9.205 -8.537 1.00 0.00 H new ATOM 0 HG23 ILE A 401 0.555 -7.867 -8.043 1.00 0.00 H new ATOM 0 HD11 ILE A 401 3.957 -7.899 -6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 401 2.433 -7.318 -7.194 1.00 0.00 H new ATOM 0 HD13 ILE A 401 2.433 -8.057 -5.575 1.00 0.00 H new ATOM 638 N VAL A 402 -0.165 -7.561 -5.105 1.00 0.00 N ATOM 639 CA VAL A 402 -0.983 -6.368 -4.967 1.00 0.00 C ATOM 640 C VAL A 402 -0.126 -5.112 -5.050 1.00 0.00 C ATOM 641 O VAL A 402 0.994 -5.078 -4.541 1.00 0.00 O ATOM 642 CB VAL A 402 -1.764 -6.369 -3.639 1.00 0.00 C ATOM 643 CG1 VAL A 402 -2.694 -5.167 -3.561 1.00 0.00 C ATOM 644 CG2 VAL A 402 -2.544 -7.665 -3.484 1.00 0.00 C ATOM 0 H VAL A 402 0.668 -7.571 -4.516 1.00 0.00 H new ATOM 0 HA VAL A 402 -1.698 -6.372 -5.790 1.00 0.00 H new ATOM 0 HB VAL A 402 -1.050 -6.297 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 402 -3.236 -5.187 -2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 402 -2.109 -4.250 -3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 402 -3.404 -5.202 -4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 402 -3.090 -7.650 -2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 402 -3.248 -7.767 -4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 402 -1.853 -8.508 -3.490 1.00 0.00 H new ATOM 654 N GLU A 403 -0.656 -4.084 -5.699 1.00 0.00 N ATOM 655 CA GLU A 403 0.061 -2.829 -5.855 1.00 0.00 C ATOM 656 C GLU A 403 -0.818 -1.646 -5.471 1.00 0.00 C ATOM 657 O GLU A 403 -1.952 -1.525 -5.936 1.00 0.00 O ATOM 658 CB GLU A 403 0.549 -2.672 -7.297 1.00 0.00 C ATOM 659 CG GLU A 403 1.256 -3.903 -7.837 1.00 0.00 C ATOM 660 CD GLU A 403 1.160 -4.016 -9.347 1.00 0.00 C ATOM 661 OE1 GLU A 403 0.080 -3.713 -9.896 1.00 0.00 O ATOM 662 OE2 GLU A 403 2.164 -4.407 -9.978 1.00 0.00 O ATOM 0 H GLU A 403 -1.582 -4.096 -6.126 1.00 0.00 H new ATOM 0 HA GLU A 403 0.922 -2.847 -5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 403 -0.303 -2.442 -7.937 1.00 0.00 H new ATOM 0 HB3 GLU A 403 1.227 -1.820 -7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 403 2.306 -3.872 -7.545 1.00 0.00 H new ATOM 0 HG3 GLU A 403 0.824 -4.794 -7.382 1.00 0.00 H new ATOM 669 N CYS A 404 -0.287 -0.775 -4.623 1.00 0.00 N ATOM 670 CA CYS A 404 -1.019 0.401 -4.178 1.00 0.00 C ATOM 671 C CYS A 404 -0.864 1.541 -5.176 1.00 0.00 C ATOM 672 O CYS A 404 0.207 2.139 -5.286 1.00 0.00 O ATOM 673 CB CYS A 404 -0.522 0.846 -2.802 1.00 0.00 C ATOM 674 SG CYS A 404 -1.437 2.243 -2.106 1.00 0.00 S ATOM 0 H CYS A 404 0.650 -0.862 -4.229 1.00 0.00 H new ATOM 0 HA CYS A 404 -2.075 0.139 -4.108 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -0.587 0.003 -2.114 1.00 0.00 H new ATOM 0 HB3 CYS A 404 0.531 1.116 -2.877 1.00 0.00 H new ATOM 0 HG CYS A 404 -2.008 1.878 -0.997 1.00 0.00 H new ATOM 680 N ARG A 405 -1.937 1.841 -5.897 1.00 0.00 N ATOM 681 CA ARG A 405 -1.916 2.911 -6.878 1.00 0.00 C ATOM 682 C ARG A 405 -2.626 4.140 -6.334 1.00 0.00 C ATOM 683 O ARG A 405 -3.666 4.032 -5.685 1.00 0.00 O ATOM 684 CB ARG A 405 -2.577 2.462 -8.181 1.00 0.00 C ATOM 685 CG ARG A 405 -2.008 1.165 -8.738 1.00 0.00 C ATOM 686 CD ARG A 405 -1.390 1.368 -10.113 1.00 0.00 C ATOM 687 NE ARG A 405 -1.686 0.257 -11.014 1.00 0.00 N ATOM 688 CZ ARG A 405 -1.008 0.008 -12.133 1.00 0.00 C ATOM 689 NH1 ARG A 405 0.005 0.790 -12.490 1.00 0.00 N ATOM 690 NH2 ARG A 405 -1.342 -1.023 -12.896 1.00 0.00 N ATOM 0 H ARG A 405 -2.831 1.357 -5.819 1.00 0.00 H new ATOM 0 HA ARG A 405 -0.876 3.164 -7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 405 -3.646 2.337 -8.012 1.00 0.00 H new ATOM 0 HB3 ARG A 405 -2.463 3.249 -8.927 1.00 0.00 H new ATOM 0 HG2 ARG A 405 -1.254 0.775 -8.054 1.00 0.00 H new ATOM 0 HG3 ARG A 405 -2.799 0.418 -8.801 1.00 0.00 H new ATOM 0 HD2 ARG A 405 -1.765 2.296 -10.546 1.00 0.00 H new ATOM 0 HD3 ARG A 405 -0.310 1.476 -10.013 1.00 0.00 H new ATOM 0 HE ARG A 405 -2.457 -0.365 -10.772 1.00 0.00 H new ATOM 0 HH11 ARG A 405 0.266 1.585 -11.906 1.00 0.00 H new ATOM 0 HH12 ARG A 405 0.522 0.596 -13.348 1.00 0.00 H new ATOM 0 HH21 ARG A 405 -2.119 -1.626 -12.626 1.00 0.00 H new ATOM 0 HH22 ARG A 405 -0.822 -1.213 -13.753 1.00 0.00 H new ATOM 702 N VAL A 406 -2.058 5.307 -6.598 1.00 0.00 N ATOM 703 CA VAL A 406 -2.641 6.551 -6.127 1.00 0.00 C ATOM 704 C VAL A 406 -2.873 7.525 -7.277 1.00 0.00 C ATOM 705 O VAL A 406 -2.250 7.416 -8.333 1.00 0.00 O ATOM 706 CB VAL A 406 -1.752 7.226 -5.065 1.00 0.00 C ATOM 707 CG1 VAL A 406 -1.630 6.347 -3.828 1.00 0.00 C ATOM 708 CG2 VAL A 406 -0.379 7.547 -5.640 1.00 0.00 C ATOM 0 H VAL A 406 -1.197 5.417 -7.134 1.00 0.00 H new ATOM 0 HA VAL A 406 -3.600 6.295 -5.675 1.00 0.00 H new ATOM 0 HB VAL A 406 -2.223 8.163 -4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 406 -0.998 6.842 -3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 406 -2.619 6.178 -3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 406 -1.185 5.391 -4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 406 0.234 8.023 -4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 406 0.102 6.626 -5.969 1.00 0.00 H new ATOM 0 HG23 VAL A 406 -0.489 8.222 -6.489 1.00 0.00 H new ATOM 744 N THR A 410 -0.760 5.796 -10.226 1.00 0.00 N ATOM 745 CA THR A 410 0.646 5.739 -9.848 1.00 0.00 C ATOM 746 C THR A 410 0.859 4.783 -8.679 1.00 0.00 C ATOM 747 O THR A 410 0.344 5.002 -7.583 1.00 0.00 O ATOM 748 CB THR A 410 1.154 7.135 -9.479 1.00 0.00 C ATOM 749 OG1 THR A 410 0.959 8.039 -10.552 1.00 0.00 O ATOM 750 CG2 THR A 410 2.624 7.161 -9.117 1.00 0.00 C ATOM 0 HA THR A 410 1.210 5.368 -10.704 1.00 0.00 H new ATOM 0 HB THR A 410 0.576 7.431 -8.603 1.00 0.00 H new ATOM 0 HG1 THR A 410 0.183 7.757 -11.080 1.00 0.00 H new ATOM 0 HG21 THR A 410 2.919 8.180 -8.866 1.00 0.00 H new ATOM 0 HG22 THR A 410 2.799 6.511 -8.260 1.00 0.00 H new ATOM 0 HG23 THR A 410 3.214 6.811 -9.964 1.00 0.00 H new ATOM 758 N VAL A 411 1.623 3.723 -8.919 1.00 0.00 N ATOM 759 CA VAL A 411 1.905 2.734 -7.886 1.00 0.00 C ATOM 760 C VAL A 411 3.042 3.198 -6.982 1.00 0.00 C ATOM 761 O VAL A 411 4.155 3.450 -7.444 1.00 0.00 O ATOM 762 CB VAL A 411 2.269 1.367 -8.500 1.00 0.00 C ATOM 763 CG1 VAL A 411 3.513 1.480 -9.369 1.00 0.00 C ATOM 764 CG2 VAL A 411 2.465 0.323 -7.410 1.00 0.00 C ATOM 0 H VAL A 411 2.058 3.527 -9.820 1.00 0.00 H new ATOM 0 HA VAL A 411 0.997 2.623 -7.294 1.00 0.00 H new ATOM 0 HB VAL A 411 1.441 1.047 -9.133 1.00 0.00 H new ATOM 0 HG11 VAL A 411 3.751 0.504 -9.792 1.00 0.00 H new ATOM 0 HG12 VAL A 411 3.330 2.190 -10.176 1.00 0.00 H new ATOM 0 HG13 VAL A 411 4.350 1.827 -8.763 1.00 0.00 H new ATOM 0 HG21 VAL A 411 2.721 -0.634 -7.865 1.00 0.00 H new ATOM 0 HG22 VAL A 411 3.271 0.637 -6.746 1.00 0.00 H new ATOM 0 HG23 VAL A 411 1.544 0.218 -6.837 1.00 0.00 H new ATOM 774 N LEU A 412 2.750 3.309 -5.693 1.00 0.00 N ATOM 775 CA LEU A 412 3.739 3.743 -4.718 1.00 0.00 C ATOM 776 C LEU A 412 4.205 2.579 -3.848 1.00 0.00 C ATOM 777 O LEU A 412 5.271 2.640 -3.236 1.00 0.00 O ATOM 778 CB LEU A 412 3.160 4.850 -3.836 1.00 0.00 C ATOM 779 CG LEU A 412 4.184 5.843 -3.285 1.00 0.00 C ATOM 780 CD1 LEU A 412 4.307 7.047 -4.204 1.00 0.00 C ATOM 781 CD2 LEU A 412 3.800 6.280 -1.879 1.00 0.00 C ATOM 0 H LEU A 412 1.832 3.103 -5.298 1.00 0.00 H new ATOM 0 HA LEU A 412 4.600 4.129 -5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 412 2.417 5.401 -4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 412 2.637 4.389 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 412 5.154 5.347 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 412 5.040 7.743 -3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 412 4.629 6.719 -5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 412 3.340 7.544 -4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 412 4.540 6.986 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 412 2.821 6.758 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 412 3.764 5.409 -1.224 1.00 0.00 H new ATOM 793 N GLY A 413 3.399 1.522 -3.790 1.00 0.00 N ATOM 794 CA GLY A 413 3.755 0.369 -2.982 1.00 0.00 C ATOM 795 C GLY A 413 3.325 -0.947 -3.601 1.00 0.00 C ATOM 796 O GLY A 413 2.133 -1.207 -3.758 1.00 0.00 O ATOM 0 H GLY A 413 2.511 1.444 -4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 413 4.835 0.357 -2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 413 3.297 0.467 -1.998 1.00 0.00 H new ATOM 800 N THR A 414 4.301 -1.782 -3.945 1.00 0.00 N ATOM 801 CA THR A 414 4.027 -3.079 -4.543 1.00 0.00 C ATOM 802 C THR A 414 4.572 -4.202 -3.662 1.00 0.00 C ATOM 803 O THR A 414 5.684 -4.108 -3.142 1.00 0.00 O ATOM 804 CB THR A 414 4.652 -3.152 -5.936 1.00 0.00 C ATOM 805 OG1 THR A 414 4.056 -2.203 -6.802 1.00 0.00 O ATOM 806 CG2 THR A 414 4.522 -4.513 -6.589 1.00 0.00 C ATOM 0 H THR A 414 5.293 -1.580 -3.818 1.00 0.00 H new ATOM 0 HA THR A 414 2.947 -3.202 -4.630 1.00 0.00 H new ATOM 0 HB THR A 414 5.711 -2.943 -5.784 1.00 0.00 H new ATOM 0 HG1 THR A 414 4.470 -2.263 -7.688 1.00 0.00 H new ATOM 0 HG21 THR A 414 4.988 -4.490 -7.574 1.00 0.00 H new ATOM 0 HG22 THR A 414 5.017 -5.262 -5.971 1.00 0.00 H new ATOM 0 HG23 THR A 414 3.467 -4.768 -6.692 1.00 0.00 H new ATOM 814 N GLY A 415 3.785 -5.261 -3.493 1.00 0.00 N ATOM 815 CA GLY A 415 4.217 -6.376 -2.670 1.00 0.00 C ATOM 816 C GLY A 415 3.432 -7.648 -2.935 1.00 0.00 C ATOM 817 O GLY A 415 2.240 -7.599 -3.238 1.00 0.00 O ATOM 0 H GLY A 415 2.860 -5.366 -3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 415 5.275 -6.565 -2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 415 4.116 -6.105 -1.619 1.00 0.00 H new ATOM 821 N VAL A 416 4.107 -8.788 -2.815 1.00 0.00 N ATOM 822 CA VAL A 416 3.483 -10.083 -3.037 1.00 0.00 C ATOM 823 C VAL A 416 3.056 -10.714 -1.716 1.00 0.00 C ATOM 824 O VAL A 416 3.522 -10.317 -0.649 1.00 0.00 O ATOM 825 CB VAL A 416 4.451 -11.038 -3.754 1.00 0.00 C ATOM 826 CG1 VAL A 416 3.762 -12.347 -4.107 1.00 0.00 C ATOM 827 CG2 VAL A 416 5.032 -10.377 -4.996 1.00 0.00 C ATOM 0 H VAL A 416 5.094 -8.837 -2.563 1.00 0.00 H new ATOM 0 HA VAL A 416 2.604 -9.920 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 416 5.271 -11.266 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 416 4.468 -13.005 -4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 416 3.407 -12.828 -3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 416 2.916 -12.147 -4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 416 5.715 -11.068 -5.490 1.00 0.00 H new ATOM 0 HG22 VAL A 416 4.225 -10.114 -5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 416 5.573 -9.475 -4.709 1.00 0.00 H new ATOM 837 N GLY A 417 2.170 -11.698 -1.796 1.00 0.00 N ATOM 838 CA GLY A 417 1.701 -12.368 -0.598 1.00 0.00 C ATOM 839 C GLY A 417 0.946 -13.647 -0.901 1.00 0.00 C ATOM 840 O GLY A 417 0.779 -14.017 -2.064 1.00 0.00 O ATOM 0 H GLY A 417 1.768 -12.044 -2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 417 2.553 -12.597 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 417 1.054 -11.693 -0.039 1.00 0.00 H new ATOM 844 N ARG A 418 0.488 -14.323 0.147 1.00 0.00 N ATOM 845 CA ARG A 418 -0.258 -15.566 -0.011 1.00 0.00 C ATOM 846 C ARG A 418 -1.733 -15.281 -0.271 1.00 0.00 C ATOM 847 O ARG A 418 -2.425 -16.069 -0.915 1.00 0.00 O ATOM 848 CB ARG A 418 -0.107 -16.441 1.236 1.00 0.00 C ATOM 849 CG ARG A 418 1.323 -16.886 1.497 1.00 0.00 C ATOM 850 CD ARG A 418 1.849 -17.768 0.375 1.00 0.00 C ATOM 851 NE ARG A 418 2.091 -19.137 0.822 1.00 0.00 N ATOM 852 CZ ARG A 418 2.857 -20.007 0.168 1.00 0.00 C ATOM 853 NH1 ARG A 418 3.457 -19.654 -0.963 1.00 0.00 N ATOM 854 NH2 ARG A 418 3.024 -21.232 0.643 1.00 0.00 N ATOM 0 H ARG A 418 0.620 -14.031 1.115 1.00 0.00 H new ATOM 0 HA ARG A 418 0.150 -16.100 -0.870 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -0.471 -15.890 2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 418 -0.739 -17.322 1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 418 1.963 -16.010 1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 418 1.369 -17.430 2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 418 1.132 -17.776 -0.446 1.00 0.00 H new ATOM 0 HD3 ARG A 418 2.775 -17.345 -0.015 1.00 0.00 H new ATOM 0 HE ARG A 418 1.647 -19.445 1.687 1.00 0.00 H new ATOM 0 HH11 ARG A 418 3.332 -18.712 -1.334 1.00 0.00 H new ATOM 0 HH12 ARG A 418 4.043 -20.325 -1.460 1.00 0.00 H new ATOM 0 HH21 ARG A 418 2.565 -21.509 1.511 1.00 0.00 H new ATOM 0 HH22 ARG A 418 3.611 -21.898 0.141 1.00 0.00 H new ATOM 866 N ASN A 419 -2.207 -14.146 0.234 1.00 0.00 N ATOM 867 CA ASN A 419 -3.598 -13.750 0.056 1.00 0.00 C ATOM 868 C ASN A 419 -3.710 -12.236 -0.109 1.00 0.00 C ATOM 869 O ASN A 419 -2.707 -11.548 -0.296 1.00 0.00 O ATOM 870 CB ASN A 419 -4.437 -14.210 1.250 1.00 0.00 C ATOM 871 CG ASN A 419 -4.205 -15.669 1.591 1.00 0.00 C ATOM 872 OD1 ASN A 419 -3.500 -15.915 2.689 1.00 0.00 O flip ATOM 873 ND2 ASN A 419 -4.654 -16.564 0.877 1.00 0.00 N flip ATOM 0 H ASN A 419 -1.646 -13.484 0.770 1.00 0.00 H new ATOM 0 HA ASN A 419 -3.977 -14.227 -0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 419 -4.198 -13.594 2.117 1.00 0.00 H new ATOM 0 HB3 ASN A 419 -5.493 -14.055 1.030 1.00 0.00 H new ATOM 0 HD21 ASN A 419 -5.191 -16.329 0.042 1.00 0.00 H new ATOM 0 HD22 ASN A 419 -4.490 -17.541 1.120 1.00 0.00 H new ATOM 880 N ILE A 420 -4.934 -11.725 -0.037 1.00 0.00 N ATOM 881 CA ILE A 420 -5.172 -10.294 -0.178 1.00 0.00 C ATOM 882 C ILE A 420 -4.696 -9.536 1.058 1.00 0.00 C ATOM 883 O ILE A 420 -4.247 -8.393 0.962 1.00 0.00 O ATOM 884 CB ILE A 420 -6.664 -9.990 -0.414 1.00 0.00 C ATOM 885 CG1 ILE A 420 -7.206 -10.840 -1.563 1.00 0.00 C ATOM 886 CG2 ILE A 420 -6.866 -8.509 -0.704 1.00 0.00 C ATOM 887 CD1 ILE A 420 -7.842 -12.136 -1.109 1.00 0.00 C ATOM 0 H ILE A 420 -5.776 -12.280 0.118 1.00 0.00 H new ATOM 0 HA ILE A 420 -4.603 -9.962 -1.047 1.00 0.00 H new ATOM 0 HB ILE A 420 -7.216 -10.242 0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -7.942 -10.259 -2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -6.392 -11.066 -2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -7.925 -8.312 -0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -6.515 -7.921 0.144 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -6.303 -8.233 -1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -8.204 -12.687 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -7.103 -12.738 -0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 420 -8.677 -11.918 -0.443 1.00 0.00 H new ATOM 899 N LYS A 421 -4.798 -10.179 2.216 1.00 0.00 N ATOM 900 CA LYS A 421 -4.378 -9.568 3.471 1.00 0.00 C ATOM 901 C LYS A 421 -2.862 -9.421 3.529 1.00 0.00 C ATOM 902 O LYS A 421 -2.339 -8.349 3.840 1.00 0.00 O ATOM 903 CB LYS A 421 -4.866 -10.402 4.656 1.00 0.00 C ATOM 904 CG LYS A 421 -6.291 -10.087 5.075 1.00 0.00 C ATOM 905 CD LYS A 421 -6.819 -11.109 6.069 1.00 0.00 C ATOM 906 CE LYS A 421 -7.817 -12.055 5.421 1.00 0.00 C ATOM 907 NZ LYS A 421 -7.143 -13.187 4.728 1.00 0.00 N ATOM 0 H LYS A 421 -5.168 -11.125 2.311 1.00 0.00 H new ATOM 0 HA LYS A 421 -4.822 -8.574 3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.797 -11.459 4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.202 -10.236 5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -6.329 -9.092 5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -6.934 -10.068 4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -5.987 -11.682 6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -7.294 -10.594 6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -8.492 -12.446 6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -8.427 -11.504 4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -7.859 -13.808 4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -6.518 -12.816 3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -6.581 -13.729 5.415 1.00 0.00 H new ATOM 921 N ILE A 422 -2.163 -10.506 3.228 1.00 0.00 N ATOM 922 CA ILE A 422 -0.704 -10.510 3.244 1.00 0.00 C ATOM 923 C ILE A 422 -0.146 -9.563 2.190 1.00 0.00 C ATOM 924 O ILE A 422 0.561 -8.607 2.510 1.00 0.00 O ATOM 925 CB ILE A 422 -0.141 -11.931 3.014 1.00 0.00 C ATOM 926 CG1 ILE A 422 -0.458 -12.828 4.212 1.00 0.00 C ATOM 927 CG2 ILE A 422 1.363 -11.886 2.770 1.00 0.00 C ATOM 928 CD1 ILE A 422 -1.904 -13.271 4.272 1.00 0.00 C ATOM 0 H ILE A 422 -2.583 -11.399 2.969 1.00 0.00 H new ATOM 0 HA ILE A 422 -0.392 -10.169 4.231 1.00 0.00 H new ATOM 0 HB ILE A 422 -0.618 -12.348 2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 422 0.182 -13.710 4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 422 -0.212 -12.294 5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 422 1.736 -12.898 2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 422 1.571 -11.280 1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 422 1.859 -11.448 3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 422 -2.055 -13.904 5.147 1.00 0.00 H new ATOM 0 HD12 ILE A 422 -2.550 -12.396 4.341 1.00 0.00 H new ATOM 0 HD13 ILE A 422 -2.150 -13.833 3.371 1.00 0.00 H new ATOM 940 N ALA A 423 -0.469 -9.835 0.932 1.00 0.00 N ATOM 941 CA ALA A 423 -0.001 -9.008 -0.175 1.00 0.00 C ATOM 942 C ALA A 423 -0.231 -7.530 0.115 1.00 0.00 C ATOM 943 O ALA A 423 0.606 -6.685 -0.206 1.00 0.00 O ATOM 944 CB ALA A 423 -0.694 -9.411 -1.466 1.00 0.00 C ATOM 0 H ALA A 423 -1.054 -10.622 0.652 1.00 0.00 H new ATOM 0 HA ALA A 423 1.071 -9.167 -0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 423 -0.334 -8.785 -2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 423 -0.475 -10.456 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 423 -1.771 -9.282 -1.357 1.00 0.00 H new ATOM 950 N GLY A 424 -1.366 -7.228 0.734 1.00 0.00 N ATOM 951 CA GLY A 424 -1.682 -5.855 1.072 1.00 0.00 C ATOM 952 C GLY A 424 -0.670 -5.265 2.032 1.00 0.00 C ATOM 953 O GLY A 424 -0.245 -4.120 1.874 1.00 0.00 O ATOM 0 H GLY A 424 -2.073 -7.910 1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -1.713 -5.255 0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -2.676 -5.810 1.518 1.00 0.00 H new ATOM 957 N ILE A 425 -0.277 -6.055 3.025 1.00 0.00 N ATOM 958 CA ILE A 425 0.700 -5.615 4.013 1.00 0.00 C ATOM 959 C ILE A 425 2.082 -5.482 3.379 1.00 0.00 C ATOM 960 O ILE A 425 2.864 -4.606 3.748 1.00 0.00 O ATOM 961 CB ILE A 425 0.774 -6.594 5.205 1.00 0.00 C ATOM 962 CG1 ILE A 425 -0.573 -6.655 5.924 1.00 0.00 C ATOM 963 CG2 ILE A 425 1.874 -6.180 6.175 1.00 0.00 C ATOM 964 CD1 ILE A 425 -0.904 -8.025 6.473 1.00 0.00 C ATOM 0 H ILE A 425 -0.621 -7.005 3.167 1.00 0.00 H new ATOM 0 HA ILE A 425 0.375 -4.642 4.381 1.00 0.00 H new ATOM 0 HB ILE A 425 1.012 -7.586 4.821 1.00 0.00 H new ATOM 0 HG12 ILE A 425 -0.572 -5.935 6.743 1.00 0.00 H new ATOM 0 HG13 ILE A 425 -1.359 -6.350 5.233 1.00 0.00 H new ATOM 0 HG21 ILE A 425 1.909 -6.883 7.007 1.00 0.00 H new ATOM 0 HG22 ILE A 425 2.834 -6.181 5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 425 1.667 -5.179 6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 425 -1.874 -7.993 6.970 1.00 0.00 H new ATOM 0 HD12 ILE A 425 -0.938 -8.746 5.656 1.00 0.00 H new ATOM 0 HD13 ILE A 425 -0.139 -8.325 7.189 1.00 0.00 H new ATOM 976 N ARG A 426 2.371 -6.356 2.421 1.00 0.00 N ATOM 977 CA ARG A 426 3.655 -6.335 1.732 1.00 0.00 C ATOM 978 C ARG A 426 3.763 -5.111 0.833 1.00 0.00 C ATOM 979 O ARG A 426 4.796 -4.443 0.795 1.00 0.00 O ATOM 980 CB ARG A 426 3.839 -7.610 0.907 1.00 0.00 C ATOM 981 CG ARG A 426 5.294 -7.943 0.617 1.00 0.00 C ATOM 982 CD ARG A 426 5.697 -9.277 1.225 1.00 0.00 C ATOM 983 NE ARG A 426 5.995 -9.162 2.652 1.00 0.00 N ATOM 984 CZ ARG A 426 6.176 -10.206 3.457 1.00 0.00 C ATOM 985 NH1 ARG A 426 6.092 -11.442 2.982 1.00 0.00 N ATOM 986 NH2 ARG A 426 6.445 -10.013 4.741 1.00 0.00 N ATOM 0 H ARG A 426 1.734 -7.087 2.105 1.00 0.00 H new ATOM 0 HA ARG A 426 4.443 -6.285 2.483 1.00 0.00 H new ATOM 0 HB2 ARG A 426 3.383 -8.445 1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 426 3.305 -7.502 -0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 426 5.453 -7.971 -0.461 1.00 0.00 H new ATOM 0 HG3 ARG A 426 5.934 -7.154 1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 426 4.893 -9.999 1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 426 6.572 -9.664 0.702 1.00 0.00 H new ATOM 0 HE ARG A 426 6.068 -8.227 3.054 1.00 0.00 H new ATOM 0 HH11 ARG A 426 5.888 -11.596 1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 426 6.232 -12.238 3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 426 6.513 -9.065 5.111 1.00 0.00 H new ATOM 0 HH22 ARG A 426 6.584 -10.813 5.359 1.00 0.00 H new ATOM 998 N ALA A 427 2.685 -4.819 0.116 1.00 0.00 N ATOM 999 CA ALA A 427 2.654 -3.669 -0.778 1.00 0.00 C ATOM 1000 C ALA A 427 2.807 -2.374 0.005 1.00 0.00 C ATOM 1001 O ALA A 427 3.627 -1.521 -0.336 1.00 0.00 O ATOM 1002 CB ALA A 427 1.363 -3.657 -1.584 1.00 0.00 C ATOM 0 H ALA A 427 1.822 -5.362 0.136 1.00 0.00 H new ATOM 0 HA ALA A 427 3.493 -3.750 -1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 427 1.356 -2.792 -2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 427 1.296 -4.569 -2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 427 0.511 -3.602 -0.906 1.00 0.00 H new ATOM 1008 N ALA A 428 2.021 -2.241 1.065 1.00 0.00 N ATOM 1009 CA ALA A 428 2.077 -1.057 1.911 1.00 0.00 C ATOM 1010 C ALA A 428 3.452 -0.924 2.545 1.00 0.00 C ATOM 1011 O ALA A 428 3.987 0.177 2.677 1.00 0.00 O ATOM 1012 CB ALA A 428 0.999 -1.118 2.983 1.00 0.00 C ATOM 0 H ALA A 428 1.337 -2.938 1.359 1.00 0.00 H new ATOM 0 HA ALA A 428 1.896 -0.179 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 428 1.055 -0.226 3.606 1.00 0.00 H new ATOM 0 HB2 ALA A 428 0.018 -1.169 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 428 1.151 -2.003 3.601 1.00 0.00 H new ATOM 1018 N GLU A 429 4.027 -2.060 2.925 1.00 0.00 N ATOM 1019 CA GLU A 429 5.350 -2.079 3.533 1.00 0.00 C ATOM 1020 C GLU A 429 6.393 -1.604 2.532 1.00 0.00 C ATOM 1021 O GLU A 429 7.341 -0.904 2.888 1.00 0.00 O ATOM 1022 CB GLU A 429 5.692 -3.486 4.026 1.00 0.00 C ATOM 1023 CG GLU A 429 5.318 -3.726 5.478 1.00 0.00 C ATOM 1024 CD GLU A 429 5.579 -5.152 5.919 1.00 0.00 C ATOM 1025 OE1 GLU A 429 5.102 -6.083 5.236 1.00 0.00 O ATOM 1026 OE2 GLU A 429 6.259 -5.340 6.950 1.00 0.00 O ATOM 0 H GLU A 429 3.597 -2.979 2.822 1.00 0.00 H new ATOM 0 HA GLU A 429 5.349 -1.404 4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 429 5.178 -4.216 3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 429 6.761 -3.656 3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 429 5.884 -3.044 6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 429 4.263 -3.493 5.621 1.00 0.00 H new ATOM 1033 N ASN A 430 6.201 -1.983 1.273 1.00 0.00 N ATOM 1034 CA ASN A 430 7.113 -1.587 0.209 1.00 0.00 C ATOM 1035 C ASN A 430 7.057 -0.078 0.005 1.00 0.00 C ATOM 1036 O ASN A 430 8.051 0.550 -0.362 1.00 0.00 O ATOM 1037 CB ASN A 430 6.757 -2.309 -1.093 1.00 0.00 C ATOM 1038 CG ASN A 430 7.696 -3.463 -1.389 1.00 0.00 C ATOM 1039 OD1 ASN A 430 7.754 -4.438 -0.639 1.00 0.00 O ATOM 1040 ND2 ASN A 430 8.437 -3.357 -2.484 1.00 0.00 N ATOM 0 H ASN A 430 5.421 -2.564 0.966 1.00 0.00 H new ATOM 0 HA ASN A 430 8.127 -1.866 0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 430 5.735 -2.683 -1.030 1.00 0.00 H new ATOM 0 HB3 ASN A 430 6.787 -1.599 -1.919 1.00 0.00 H new ATOM 0 HD21 ASN A 430 9.088 -4.102 -2.734 1.00 0.00 H new ATOM 0 HD22 ASN A 430 8.356 -2.531 -3.077 1.00 0.00 H new ATOM 1047 N ALA A 431 5.886 0.498 0.256 1.00 0.00 N ATOM 1048 CA ALA A 431 5.690 1.935 0.112 1.00 0.00 C ATOM 1049 C ALA A 431 6.224 2.677 1.331 1.00 0.00 C ATOM 1050 O ALA A 431 6.665 3.823 1.229 1.00 0.00 O ATOM 1051 CB ALA A 431 4.215 2.247 -0.096 1.00 0.00 C ATOM 0 H ALA A 431 5.056 -0.011 0.561 1.00 0.00 H new ATOM 0 HA ALA A 431 6.246 2.272 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 431 4.082 3.324 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 431 3.861 1.747 -0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 431 3.644 1.894 0.763 1.00 0.00 H new ATOM 1057 N LEU A 432 6.185 2.016 2.484 1.00 0.00 N ATOM 1058 CA LEU A 432 6.669 2.610 3.725 1.00 0.00 C ATOM 1059 C LEU A 432 8.192 2.537 3.808 1.00 0.00 C ATOM 1060 O LEU A 432 8.822 3.318 4.520 1.00 0.00 O ATOM 1061 CB LEU A 432 6.045 1.905 4.930 1.00 0.00 C ATOM 1062 CG LEU A 432 4.517 1.947 4.987 1.00 0.00 C ATOM 1063 CD1 LEU A 432 3.970 0.684 5.635 1.00 0.00 C ATOM 1064 CD2 LEU A 432 4.045 3.180 5.741 1.00 0.00 C ATOM 0 H LEU A 432 5.823 1.068 2.584 1.00 0.00 H new ATOM 0 HA LEU A 432 6.374 3.659 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 432 6.364 0.863 4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 432 6.440 2.357 5.840 1.00 0.00 H new ATOM 0 HG LEU A 432 4.138 2.001 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 432 2.882 0.733 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 432 4.277 -0.185 5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 432 4.359 0.598 6.650 1.00 0.00 H new ATOM 0 HD21 LEU A 432 2.956 3.193 5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 432 4.436 3.156 6.758 1.00 0.00 H new ATOM 0 HD23 LEU A 432 4.405 4.076 5.235 1.00 0.00 H new ATOM 1076 N ARG A 433 8.779 1.593 3.075 1.00 0.00 N ATOM 1077 CA ARG A 433 10.228 1.418 3.067 1.00 0.00 C ATOM 1078 C ARG A 433 10.931 2.708 2.663 1.00 0.00 C ATOM 1079 O ARG A 433 11.810 3.198 3.371 1.00 0.00 O ATOM 1080 CB ARG A 433 10.621 0.290 2.112 1.00 0.00 C ATOM 1081 CG ARG A 433 10.675 -1.077 2.773 1.00 0.00 C ATOM 1082 CD ARG A 433 11.225 -2.132 1.826 1.00 0.00 C ATOM 1083 NE ARG A 433 10.835 -3.483 2.224 1.00 0.00 N ATOM 1084 CZ ARG A 433 10.904 -4.541 1.420 1.00 0.00 C ATOM 1085 NH1 ARG A 433 11.348 -4.410 0.175 1.00 0.00 N ATOM 1086 NH2 ARG A 433 10.530 -5.734 1.862 1.00 0.00 N ATOM 0 H ARG A 433 8.273 0.938 2.479 1.00 0.00 H new ATOM 0 HA ARG A 433 10.542 1.156 4.078 1.00 0.00 H new ATOM 0 HB2 ARG A 433 9.908 0.258 1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 433 11.596 0.514 1.680 1.00 0.00 H new ATOM 0 HG2 ARG A 433 11.299 -1.027 3.665 1.00 0.00 H new ATOM 0 HG3 ARG A 433 9.675 -1.365 3.099 1.00 0.00 H new ATOM 0 HD2 ARG A 433 10.867 -1.934 0.816 1.00 0.00 H new ATOM 0 HD3 ARG A 433 12.312 -2.062 1.798 1.00 0.00 H new ATOM 0 HE ARG A 433 10.490 -3.623 3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 433 11.638 -3.495 -0.169 1.00 0.00 H new ATOM 0 HH12 ARG A 433 11.399 -5.225 -0.437 1.00 0.00 H new ATOM 0 HH21 ARG A 433 10.190 -5.840 2.818 1.00 0.00 H new ATOM 0 HH22 ARG A 433 10.583 -6.545 1.246 1.00 0.00 H new ATOM 1098 N ASP A 434 10.536 3.249 1.519 1.00 0.00 N ATOM 1099 CA ASP A 434 11.124 4.484 1.011 1.00 0.00 C ATOM 1100 C ASP A 434 10.939 5.624 2.007 1.00 0.00 C ATOM 1101 O ASP A 434 9.923 6.320 1.986 1.00 0.00 O ATOM 1102 CB ASP A 434 10.496 4.857 -0.333 1.00 0.00 C ATOM 1103 CG ASP A 434 11.463 5.593 -1.239 1.00 0.00 C ATOM 1104 OD1 ASP A 434 12.458 6.144 -0.723 1.00 0.00 O ATOM 1105 OD2 ASP A 434 11.226 5.617 -2.465 1.00 0.00 O ATOM 0 H ASP A 434 9.810 2.852 0.923 1.00 0.00 H new ATOM 0 HA ASP A 434 12.192 4.318 0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 434 10.151 3.952 -0.833 1.00 0.00 H new ATOM 0 HB3 ASP A 434 9.618 5.480 -0.160 1.00 0.00 H new ATOM 1110 N LYS A 435 11.925 5.809 2.877 1.00 0.00 N ATOM 1111 CA LYS A 435 11.870 6.866 3.880 1.00 0.00 C ATOM 1112 C LYS A 435 11.925 8.239 3.224 1.00 0.00 C ATOM 1113 O LYS A 435 11.292 9.187 3.690 1.00 0.00 O ATOM 1114 CB LYS A 435 13.019 6.714 4.878 1.00 0.00 C ATOM 1115 CG LYS A 435 12.811 5.589 5.879 1.00 0.00 C ATOM 1116 CD LYS A 435 13.745 5.722 7.070 1.00 0.00 C ATOM 1117 CE LYS A 435 13.173 5.047 8.306 1.00 0.00 C ATOM 1118 NZ LYS A 435 14.136 5.061 9.441 1.00 0.00 N ATOM 0 H LYS A 435 12.772 5.241 2.908 1.00 0.00 H new ATOM 0 HA LYS A 435 10.924 6.777 4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 435 13.944 6.535 4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 435 13.146 7.652 5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 435 11.777 5.594 6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 435 12.979 4.630 5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 435 14.711 5.280 6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 435 13.921 6.777 7.279 1.00 0.00 H new ATOM 0 HE2 LYS A 435 12.254 5.552 8.603 1.00 0.00 H new ATOM 0 HE3 LYS A 435 12.908 4.017 8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 13.709 4.591 10.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 15.003 4.557 9.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 14.370 6.044 9.686 1.00 0.00 H new ATOM 1132 N LYS A 436 12.679 8.339 2.136 1.00 0.00 N ATOM 1133 CA LYS A 436 12.805 9.595 1.412 1.00 0.00 C ATOM 1134 C LYS A 436 11.462 10.004 0.833 1.00 0.00 C ATOM 1135 O LYS A 436 10.928 11.066 1.153 1.00 0.00 O ATOM 1136 CB LYS A 436 13.831 9.458 0.290 1.00 0.00 C ATOM 1137 CG LYS A 436 15.174 8.919 0.753 1.00 0.00 C ATOM 1138 CD LYS A 436 15.282 7.421 0.514 1.00 0.00 C ATOM 1139 CE LYS A 436 15.893 6.707 1.709 1.00 0.00 C ATOM 1140 NZ LYS A 436 17.206 7.295 2.096 1.00 0.00 N ATOM 0 H LYS A 436 13.211 7.566 1.737 1.00 0.00 H new ATOM 0 HA LYS A 436 13.141 10.364 2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 436 13.430 8.797 -0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 436 13.981 10.433 -0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 436 15.976 9.432 0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 436 15.307 9.130 1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 436 14.292 7.012 0.312 1.00 0.00 H new ATOM 0 HD3 LYS A 436 15.890 7.236 -0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 436 15.207 6.762 2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 436 16.024 5.651 1.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 436 17.741 6.607 2.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 436 17.746 7.532 1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 436 17.049 8.157 2.656 1.00 0.00 H new ATOM 1154 N MET A 437 10.916 9.141 -0.013 1.00 0.00 N ATOM 1155 CA MET A 437 9.625 9.394 -0.635 1.00 0.00 C ATOM 1156 C MET A 437 8.560 9.585 0.435 1.00 0.00 C ATOM 1157 O MET A 437 7.673 10.427 0.301 1.00 0.00 O ATOM 1158 CB MET A 437 9.242 8.237 -1.561 1.00 0.00 C ATOM 1159 CG MET A 437 7.891 8.416 -2.235 1.00 0.00 C ATOM 1160 SD MET A 437 8.034 8.867 -3.975 1.00 0.00 S ATOM 1161 CE MET A 437 8.608 10.559 -3.840 1.00 0.00 C ATOM 0 H MET A 437 11.349 8.258 -0.284 1.00 0.00 H new ATOM 0 HA MET A 437 9.696 10.304 -1.230 1.00 0.00 H new ATOM 0 HB2 MET A 437 10.009 8.128 -2.328 1.00 0.00 H new ATOM 0 HB3 MET A 437 9.232 7.311 -0.986 1.00 0.00 H new ATOM 0 HG2 MET A 437 7.322 7.490 -2.150 1.00 0.00 H new ATOM 0 HG3 MET A 437 7.327 9.187 -1.710 1.00 0.00 H new ATOM 0 HE1 MET A 437 8.492 11.060 -4.801 1.00 0.00 H new ATOM 0 HE2 MET A 437 8.023 11.083 -3.084 1.00 0.00 H new ATOM 0 HE3 MET A 437 9.659 10.565 -3.553 1.00 0.00 H new ATOM 1171 N LEU A 438 8.665 8.806 1.506 1.00 0.00 N ATOM 1172 CA LEU A 438 7.724 8.899 2.605 1.00 0.00 C ATOM 1173 C LEU A 438 7.921 10.203 3.362 1.00 0.00 C ATOM 1174 O LEU A 438 6.968 10.782 3.878 1.00 0.00 O ATOM 1175 CB LEU A 438 7.894 7.719 3.556 1.00 0.00 C ATOM 1176 CG LEU A 438 6.838 7.631 4.654 1.00 0.00 C ATOM 1177 CD1 LEU A 438 5.447 7.782 4.059 1.00 0.00 C ATOM 1178 CD2 LEU A 438 6.966 6.317 5.405 1.00 0.00 C ATOM 0 H LEU A 438 9.394 8.104 1.632 1.00 0.00 H new ATOM 0 HA LEU A 438 6.715 8.877 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 438 7.874 6.796 2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 438 8.878 7.782 4.021 1.00 0.00 H new ATOM 0 HG LEU A 438 6.997 8.444 5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 438 4.703 7.717 4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 438 5.366 8.750 3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 438 5.273 6.987 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 438 6.206 6.268 6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 438 6.828 5.487 4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 438 7.955 6.251 5.858 1.00 0.00 H new ATOM 1190 N ASP A 439 9.166 10.662 3.423 1.00 0.00 N ATOM 1191 CA ASP A 439 9.483 11.903 4.113 1.00 0.00 C ATOM 1192 C ASP A 439 8.787 13.074 3.435 1.00 0.00 C ATOM 1193 O ASP A 439 8.284 13.980 4.097 1.00 0.00 O ATOM 1194 CB ASP A 439 10.997 12.129 4.139 1.00 0.00 C ATOM 1195 CG ASP A 439 11.581 11.967 5.527 1.00 0.00 C ATOM 1196 OD1 ASP A 439 11.582 10.828 6.042 1.00 0.00 O ATOM 1197 OD2 ASP A 439 12.039 12.977 6.101 1.00 0.00 O ATOM 0 H ASP A 439 9.969 10.193 3.004 1.00 0.00 H new ATOM 0 HA ASP A 439 9.126 11.830 5.140 1.00 0.00 H new ATOM 0 HB2 ASP A 439 11.478 11.425 3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 439 11.219 13.130 3.769 1.00 0.00 H new ATOM 1202 N PHE A 440 8.757 13.043 2.108 1.00 0.00 N ATOM 1203 CA PHE A 440 8.117 14.100 1.333 1.00 0.00 C ATOM 1204 C PHE A 440 6.627 14.181 1.646 1.00 0.00 C ATOM 1205 O PHE A 440 6.067 15.271 1.768 1.00 0.00 O ATOM 1206 CB PHE A 440 8.317 13.855 -0.159 1.00 0.00 C ATOM 1207 CG PHE A 440 8.491 15.115 -0.958 1.00 0.00 C ATOM 1208 CD1 PHE A 440 9.748 15.666 -1.143 1.00 0.00 C ATOM 1209 CD2 PHE A 440 7.396 15.748 -1.525 1.00 0.00 C ATOM 1210 CE1 PHE A 440 9.911 16.826 -1.878 1.00 0.00 C ATOM 1211 CE2 PHE A 440 7.552 16.908 -2.260 1.00 0.00 C ATOM 1212 CZ PHE A 440 8.812 17.448 -2.437 1.00 0.00 C ATOM 0 H PHE A 440 9.168 12.298 1.546 1.00 0.00 H new ATOM 0 HA PHE A 440 8.581 15.047 1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 440 9.193 13.221 -0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 440 7.460 13.305 -0.546 1.00 0.00 H new ATOM 0 HD1 PHE A 440 10.611 15.184 -0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 440 6.409 15.330 -1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 440 10.897 17.245 -2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 440 6.690 17.392 -2.696 1.00 0.00 H new ATOM 0 HZ PHE A 440 8.937 18.354 -3.011 1.00 0.00 H new ATOM 1222 N TYR A 441 5.988 13.022 1.778 1.00 0.00 N ATOM 1223 CA TYR A 441 4.565 12.966 2.078 1.00 0.00 C ATOM 1224 C TYR A 441 4.333 13.139 3.567 1.00 0.00 C ATOM 1225 O TYR A 441 3.463 13.898 3.986 1.00 0.00 O ATOM 1226 CB TYR A 441 3.969 11.640 1.610 1.00 0.00 C ATOM 1227 CG TYR A 441 3.648 11.605 0.133 1.00 0.00 C ATOM 1228 CD1 TYR A 441 4.617 11.262 -0.801 1.00 0.00 C ATOM 1229 CD2 TYR A 441 2.375 11.915 -0.327 1.00 0.00 C ATOM 1230 CE1 TYR A 441 4.328 11.229 -2.152 1.00 0.00 C ATOM 1231 CE2 TYR A 441 2.076 11.884 -1.676 1.00 0.00 C ATOM 1232 CZ TYR A 441 3.056 11.540 -2.584 1.00 0.00 C ATOM 1233 OH TYR A 441 2.762 11.509 -3.928 1.00 0.00 O ATOM 0 H TYR A 441 6.435 12.110 1.682 1.00 0.00 H new ATOM 0 HA TYR A 441 4.071 13.779 1.545 1.00 0.00 H new ATOM 0 HB2 TYR A 441 4.669 10.836 1.840 1.00 0.00 H new ATOM 0 HB3 TYR A 441 3.058 11.441 2.175 1.00 0.00 H new ATOM 0 HD1 TYR A 441 5.614 11.017 -0.466 1.00 0.00 H new ATOM 0 HD2 TYR A 441 1.606 12.185 0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 441 5.094 10.961 -2.865 1.00 0.00 H new ATOM 0 HE2 TYR A 441 1.081 12.128 -2.017 1.00 0.00 H new ATOM 0 HH TYR A 441 3.325 10.840 -4.371 1.00 0.00 H new ATOM 1243 N ALA A 442 5.122 12.437 4.365 1.00 0.00 N ATOM 1244 CA ALA A 442 5.004 12.523 5.812 1.00 0.00 C ATOM 1245 C ALA A 442 5.141 13.967 6.275 1.00 0.00 C ATOM 1246 O ALA A 442 4.538 14.371 7.270 1.00 0.00 O ATOM 1247 CB ALA A 442 6.040 11.639 6.489 1.00 0.00 C ATOM 0 H ALA A 442 5.850 11.802 4.036 1.00 0.00 H new ATOM 0 HA ALA A 442 4.015 12.165 6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 442 5.934 11.718 7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 442 5.889 10.603 6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 442 7.040 11.961 6.197 1.00 0.00 H new ATOM 1253 N LYS A 443 5.924 14.747 5.536 1.00 0.00 N ATOM 1254 CA LYS A 443 6.119 16.155 5.868 1.00 0.00 C ATOM 1255 C LYS A 443 4.965 17.002 5.332 1.00 0.00 C ATOM 1256 O LYS A 443 4.900 18.206 5.577 1.00 0.00 O ATOM 1257 CB LYS A 443 7.447 16.664 5.303 1.00 0.00 C ATOM 1258 CG LYS A 443 8.583 16.648 6.313 1.00 0.00 C ATOM 1259 CD LYS A 443 8.932 15.231 6.744 1.00 0.00 C ATOM 1260 CE LYS A 443 8.814 15.058 8.250 1.00 0.00 C ATOM 1261 NZ LYS A 443 9.399 16.210 8.993 1.00 0.00 N ATOM 0 H LYS A 443 6.431 14.431 4.709 1.00 0.00 H new ATOM 0 HA LYS A 443 6.143 16.244 6.954 1.00 0.00 H new ATOM 0 HB2 LYS A 443 7.726 16.052 4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 443 7.311 17.682 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 443 9.463 17.124 5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 443 8.301 17.235 7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 443 8.270 14.525 6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 443 9.948 14.994 6.429 1.00 0.00 H new ATOM 0 HE2 LYS A 443 7.764 14.948 8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 443 9.319 14.140 8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 9.824 15.871 9.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 10.130 16.664 8.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 8.651 16.899 9.209 1.00 0.00 H new ATOM 1275 N GLN A 444 4.053 16.362 4.600 1.00 0.00 N ATOM 1276 CA GLN A 444 2.902 17.050 4.035 1.00 0.00 C ATOM 1277 C GLN A 444 1.614 16.560 4.683 1.00 0.00 C ATOM 1278 O GLN A 444 0.784 17.357 5.118 1.00 0.00 O ATOM 1279 CB GLN A 444 2.844 16.839 2.521 1.00 0.00 C ATOM 1280 CG GLN A 444 3.921 17.592 1.760 1.00 0.00 C ATOM 1281 CD GLN A 444 3.921 19.077 2.066 1.00 0.00 C ATOM 1282 OE1 GLN A 444 4.923 19.627 2.526 1.00 0.00 O ATOM 1283 NE2 GLN A 444 2.797 19.734 1.812 1.00 0.00 N ATOM 0 H GLN A 444 4.093 15.365 4.386 1.00 0.00 H new ATOM 0 HA GLN A 444 3.008 18.116 4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 444 2.937 15.774 2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 444 1.866 17.153 2.156 1.00 0.00 H new ATOM 0 HG2 GLN A 444 4.896 17.174 2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 444 3.775 17.445 0.690 1.00 0.00 H new ATOM 0 HE21 GLN A 444 1.991 19.238 1.431 1.00 0.00 H new ATOM 0 HE22 GLN A 444 2.738 20.735 1.998 1.00 0.00 H new ATOM 1292 N ARG A 445 1.456 15.243 4.749 1.00 0.00 N ATOM 1293 CA ARG A 445 0.269 14.650 5.353 1.00 0.00 C ATOM 1294 C ARG A 445 0.264 14.885 6.858 1.00 0.00 C ATOM 1295 O ARG A 445 -0.766 15.214 7.445 1.00 0.00 O ATOM 1296 CB ARG A 445 0.207 13.150 5.057 1.00 0.00 C ATOM 1297 CG ARG A 445 -1.189 12.561 5.197 1.00 0.00 C ATOM 1298 CD ARG A 445 -1.267 11.567 6.345 1.00 0.00 C ATOM 1299 NE ARG A 445 -1.856 12.160 7.544 1.00 0.00 N ATOM 1300 CZ ARG A 445 -3.165 12.313 7.729 1.00 0.00 C ATOM 1301 NH1 ARG A 445 -4.025 11.925 6.796 1.00 0.00 N ATOM 1302 NH2 ARG A 445 -3.616 12.856 8.851 1.00 0.00 N ATOM 0 H ARG A 445 2.132 14.568 4.393 1.00 0.00 H new ATOM 0 HA ARG A 445 -0.609 15.128 4.919 1.00 0.00 H new ATOM 0 HB2 ARG A 445 0.568 12.972 4.044 1.00 0.00 H new ATOM 0 HB3 ARG A 445 0.883 12.626 5.733 1.00 0.00 H new ATOM 0 HG2 ARG A 445 -1.908 13.364 5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 445 -1.470 12.066 4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 445 -1.859 10.705 6.038 1.00 0.00 H new ATOM 0 HD3 ARG A 445 -0.267 11.201 6.576 1.00 0.00 H new ATOM 0 HE ARG A 445 -1.227 12.475 8.282 1.00 0.00 H new ATOM 0 HH11 ARG A 445 -3.684 11.507 5.931 1.00 0.00 H new ATOM 0 HH12 ARG A 445 -5.027 12.045 6.944 1.00 0.00 H new ATOM 0 HH21 ARG A 445 -2.960 13.156 9.572 1.00 0.00 H new ATOM 0 HH22 ARG A 445 -4.619 12.974 8.993 1.00 0.00 H new ATOM 1314 N ALA A 446 1.428 14.720 7.473 1.00 0.00 N ATOM 1315 CA ALA A 446 1.571 14.922 8.908 1.00 0.00 C ATOM 1316 C ALA A 446 1.636 16.408 9.241 1.00 0.00 C ATOM 1317 O ALA A 446 1.262 16.829 10.336 1.00 0.00 O ATOM 1318 CB ALA A 446 2.814 14.210 9.420 1.00 0.00 C ATOM 0 H ALA A 446 2.288 14.446 6.999 1.00 0.00 H new ATOM 0 HA ALA A 446 0.696 14.499 9.402 1.00 0.00 H new ATOM 0 HB1 ALA A 446 2.908 14.370 10.494 1.00 0.00 H new ATOM 0 HB2 ALA A 446 2.731 13.142 9.218 1.00 0.00 H new ATOM 0 HB3 ALA A 446 3.695 14.607 8.915 1.00 0.00 H new