USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=14 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 Set 1.1: A 387 TYR OH : rot 30:sc= -3.17! USER MOD Set 1.2: A 404 CYS SG : rot 101:sc= -1.12 USER MOD Single : A 369 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.021) USER MOD Single : A 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 373 GLN :FLIP amide:sc= -5.28! C(o=-7!,f=-5.3!) USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 SER OG : rot -30:sc= 0.675 USER MOD Single : A 380 TYR OH : rot -145:sc= 0.79 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=-0.082) USER MOD Single : A 389 THR OG1 : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.017) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 410 THR OG1 : rot 33:sc= 0.0523 USER MOD Single : A 414 THR OG1 : rot 180:sc= -0.642 USER MOD Single : A 419 ASN : amide:sc= -3.49 K(o=-3.5,f=-18!) USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= -0.691 X(o=-0.69,f=-0.2) 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 169:sc= 0 (180deg=-0.0562) USER MOD Single : A 441 TYR OH : rot 180:sc= 0 USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD ----------------------------------------------------------------- ATOM 102 N ASN A 369 -3.095 -3.106 9.150 1.00 0.00 N ATOM 103 CA ASN A 369 -2.788 -1.768 9.637 1.00 0.00 C ATOM 104 C ASN A 369 -1.885 -1.019 8.660 1.00 0.00 C ATOM 105 O ASN A 369 -1.912 0.210 8.593 1.00 0.00 O ATOM 106 CB ASN A 369 -2.119 -1.847 11.011 1.00 0.00 C ATOM 107 CG ASN A 369 -0.749 -2.496 10.954 1.00 0.00 C ATOM 108 OD1 ASN A 369 0.276 -1.822 11.061 1.00 0.00 O ATOM 109 ND2 ASN A 369 -0.725 -3.812 10.785 1.00 0.00 N ATOM 0 HA ASN A 369 -3.725 -1.218 9.725 1.00 0.00 H new ATOM 0 HB2 ASN A 369 -2.025 -0.843 11.424 1.00 0.00 H new ATOM 0 HB3 ASN A 369 -2.757 -2.412 11.690 1.00 0.00 H new ATOM 0 HD21 ASN A 369 0.167 -4.304 10.739 1.00 0.00 H new ATOM 0 HD22 ASN A 369 -1.599 -4.331 10.701 1.00 0.00 H new ATOM 116 N ALA A 370 -1.084 -1.767 7.903 1.00 0.00 N ATOM 117 CA ALA A 370 -0.171 -1.173 6.932 1.00 0.00 C ATOM 118 C ALA A 370 -0.876 -0.126 6.076 1.00 0.00 C ATOM 119 O ALA A 370 -0.283 0.889 5.707 1.00 0.00 O ATOM 120 CB ALA A 370 0.438 -2.255 6.053 1.00 0.00 C ATOM 0 H ALA A 370 -1.050 -2.786 7.944 1.00 0.00 H new ATOM 0 HA ALA A 370 0.626 -0.672 7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 370 1.117 -1.799 5.333 1.00 0.00 H new ATOM 0 HB2 ALA A 370 0.989 -2.961 6.674 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -0.355 -2.781 5.521 1.00 0.00 H new ATOM 126 N LYS A 371 -2.143 -0.376 5.767 1.00 0.00 N ATOM 127 CA LYS A 371 -2.924 0.555 4.958 1.00 0.00 C ATOM 128 C LYS A 371 -3.122 1.872 5.696 1.00 0.00 C ATOM 129 O LYS A 371 -2.812 2.942 5.172 1.00 0.00 O ATOM 130 CB LYS A 371 -4.283 -0.054 4.597 1.00 0.00 C ATOM 131 CG LYS A 371 -4.461 -0.302 3.108 1.00 0.00 C ATOM 132 CD LYS A 371 -5.822 -0.907 2.803 1.00 0.00 C ATOM 133 CE LYS A 371 -6.941 0.102 3.008 1.00 0.00 C ATOM 134 NZ LYS A 371 -7.546 0.530 1.716 1.00 0.00 N ATOM 0 H LYS A 371 -2.650 -1.210 6.062 1.00 0.00 H new ATOM 0 HA LYS A 371 -2.372 0.750 4.038 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -4.403 -0.997 5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -5.074 0.611 4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -4.349 0.637 2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -3.677 -0.970 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -5.839 -1.266 1.774 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -5.989 -1.772 3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -7.712 -0.335 3.643 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -6.552 0.974 3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -8.305 1.218 1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -6.816 0.970 1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -7.940 -0.298 1.226 1.00 0.00 H new ATOM 148 N ARG A 372 -3.631 1.782 6.915 1.00 0.00 N ATOM 149 CA ARG A 372 -3.865 2.964 7.734 1.00 0.00 C ATOM 150 C ARG A 372 -2.574 3.753 7.916 1.00 0.00 C ATOM 151 O ARG A 372 -2.597 4.974 8.073 1.00 0.00 O ATOM 152 CB ARG A 372 -4.429 2.564 9.100 1.00 0.00 C ATOM 153 CG ARG A 372 -5.674 1.696 9.017 1.00 0.00 C ATOM 154 CD ARG A 372 -6.381 1.608 10.360 1.00 0.00 C ATOM 155 NE ARG A 372 -5.848 0.531 11.192 1.00 0.00 N ATOM 156 CZ ARG A 372 -6.191 -0.748 11.060 1.00 0.00 C ATOM 157 NH1 ARG A 372 -7.059 -1.117 10.126 1.00 0.00 N ATOM 158 NH2 ARG A 372 -5.662 -1.662 11.862 1.00 0.00 N ATOM 0 H ARG A 372 -3.891 0.902 7.361 1.00 0.00 H new ATOM 0 HA ARG A 372 -4.592 3.595 7.223 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -3.660 2.029 9.658 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -4.663 3.466 9.665 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -6.356 2.106 8.272 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -5.400 0.695 8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -6.278 2.557 10.886 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -7.447 1.447 10.198 1.00 0.00 H new ATOM 0 HE ARG A 372 -5.173 0.774 11.917 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -7.467 -0.419 9.505 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -7.318 -2.099 10.030 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -4.992 -1.385 12.580 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -5.925 -2.642 11.761 1.00 0.00 H new ATOM 170 N GLN A 373 -1.450 3.046 7.890 1.00 0.00 N ATOM 171 CA GLN A 373 -0.148 3.678 8.047 1.00 0.00 C ATOM 172 C GLN A 373 0.131 4.631 6.890 1.00 0.00 C ATOM 173 O GLN A 373 0.498 5.785 7.101 1.00 0.00 O ATOM 174 CB GLN A 373 0.950 2.615 8.132 1.00 0.00 C ATOM 175 CG GLN A 373 1.696 2.616 9.456 1.00 0.00 C ATOM 176 CD GLN A 373 3.142 3.049 9.312 1.00 0.00 C ATOM 177 OE1 GLN A 373 3.375 4.071 8.498 1.00 0.00 O flip ATOM 178 NE2 GLN A 373 4.038 2.470 9.927 1.00 0.00 N flip ATOM 0 H GLN A 373 -1.415 2.035 7.762 1.00 0.00 H new ATOM 0 HA GLN A 373 -0.155 4.253 8.973 1.00 0.00 H new ATOM 0 HB2 GLN A 373 0.506 1.632 7.976 1.00 0.00 H new ATOM 0 HB3 GLN A 373 1.663 2.775 7.323 1.00 0.00 H new ATOM 0 HG2 GLN A 373 1.189 3.283 10.154 1.00 0.00 H new ATOM 0 HG3 GLN A 373 1.662 1.616 9.889 1.00 0.00 H new ATOM 0 HE21 GLN A 373 3.812 1.689 10.542 1.00 0.00 H new ATOM 0 HE22 GLN A 373 5.007 2.772 9.821 1.00 0.00 H new ATOM 187 N LEU A 374 -0.045 4.139 5.666 1.00 0.00 N ATOM 188 CA LEU A 374 0.191 4.955 4.482 1.00 0.00 C ATOM 189 C LEU A 374 -0.715 6.180 4.474 1.00 0.00 C ATOM 190 O LEU A 374 -0.270 7.293 4.196 1.00 0.00 O ATOM 191 CB LEU A 374 -0.035 4.132 3.208 1.00 0.00 C ATOM 192 CG LEU A 374 1.197 3.399 2.666 1.00 0.00 C ATOM 193 CD1 LEU A 374 2.412 4.318 2.633 1.00 0.00 C ATOM 194 CD2 LEU A 374 1.487 2.159 3.497 1.00 0.00 C ATOM 0 H LEU A 374 -0.348 3.185 5.471 1.00 0.00 H new ATOM 0 HA LEU A 374 1.228 5.291 4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 374 -0.815 3.397 3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 374 -0.412 4.796 2.430 1.00 0.00 H new ATOM 0 HG LEU A 374 0.983 3.089 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 374 3.271 3.771 2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 374 2.204 5.173 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 374 2.631 4.668 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 374 2.365 1.651 3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 374 1.674 2.449 4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 374 0.630 1.487 3.459 1.00 0.00 H new ATOM 206 N TYR A 375 -1.987 5.970 4.779 1.00 0.00 N ATOM 207 CA TYR A 375 -2.953 7.062 4.803 1.00 0.00 C ATOM 208 C TYR A 375 -2.680 8.013 5.963 1.00 0.00 C ATOM 209 O TYR A 375 -3.073 9.179 5.926 1.00 0.00 O ATOM 210 CB TYR A 375 -4.376 6.509 4.902 1.00 0.00 C ATOM 211 CG TYR A 375 -5.383 7.265 4.062 1.00 0.00 C ATOM 212 CD1 TYR A 375 -5.317 7.240 2.675 1.00 0.00 C ATOM 213 CD2 TYR A 375 -6.398 8.001 4.658 1.00 0.00 C ATOM 214 CE1 TYR A 375 -6.235 7.928 1.905 1.00 0.00 C ATOM 215 CE2 TYR A 375 -7.321 8.691 3.896 1.00 0.00 C ATOM 216 CZ TYR A 375 -7.236 8.651 2.520 1.00 0.00 C ATOM 217 OH TYR A 375 -8.153 9.337 1.757 1.00 0.00 O ATOM 0 H TYR A 375 -2.375 5.056 5.013 1.00 0.00 H new ATOM 0 HA TYR A 375 -2.851 7.621 3.873 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -4.372 5.463 4.595 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -4.694 6.534 5.944 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -4.535 6.674 2.190 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -6.467 8.035 5.735 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -6.169 7.900 0.827 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -8.105 9.259 4.375 1.00 0.00 H new ATOM 0 HH TYR A 375 -8.791 9.793 2.344 1.00 0.00 H new ATOM 227 N SER A 376 -2.007 7.511 6.991 1.00 0.00 N ATOM 228 CA SER A 376 -1.684 8.319 8.158 1.00 0.00 C ATOM 229 C SER A 376 -0.278 8.908 8.057 1.00 0.00 C ATOM 230 O SER A 376 0.143 9.673 8.924 1.00 0.00 O ATOM 231 CB SER A 376 -1.805 7.482 9.432 1.00 0.00 C ATOM 232 OG SER A 376 -1.430 8.231 10.574 1.00 0.00 O ATOM 0 H SER A 376 -1.675 6.548 7.039 1.00 0.00 H new ATOM 0 HA SER A 376 -2.396 9.143 8.198 1.00 0.00 H new ATOM 0 HB2 SER A 376 -2.831 7.132 9.544 1.00 0.00 H new ATOM 0 HB3 SER A 376 -1.173 6.597 9.351 1.00 0.00 H new ATOM 0 HG SER A 376 -0.753 8.894 10.323 1.00 0.00 H new ATOM 238 N LEU A 377 0.454 8.545 7.003 1.00 0.00 N ATOM 239 CA LEU A 377 1.812 9.042 6.819 1.00 0.00 C ATOM 240 C LEU A 377 2.006 9.713 5.458 1.00 0.00 C ATOM 241 O LEU A 377 2.975 10.447 5.265 1.00 0.00 O ATOM 242 CB LEU A 377 2.821 7.904 6.983 1.00 0.00 C ATOM 243 CG LEU A 377 3.505 7.839 8.349 1.00 0.00 C ATOM 244 CD1 LEU A 377 2.512 7.429 9.424 1.00 0.00 C ATOM 245 CD2 LEU A 377 4.681 6.874 8.308 1.00 0.00 C ATOM 0 H LEU A 377 0.130 7.913 6.271 1.00 0.00 H new ATOM 0 HA LEU A 377 1.982 9.797 7.586 1.00 0.00 H new ATOM 0 HB2 LEU A 377 2.311 6.958 6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 377 3.587 8.004 6.214 1.00 0.00 H new ATOM 0 HG LEU A 377 3.883 8.832 8.594 1.00 0.00 H new ATOM 0 HD11 LEU A 377 3.017 7.388 10.389 1.00 0.00 H new ATOM 0 HD12 LEU A 377 1.702 8.158 9.469 1.00 0.00 H new ATOM 0 HD13 LEU A 377 2.103 6.447 9.186 1.00 0.00 H new ATOM 0 HD21 LEU A 377 5.157 6.839 9.288 1.00 0.00 H new ATOM 0 HD22 LEU A 377 4.326 5.879 8.041 1.00 0.00 H new ATOM 0 HD23 LEU A 377 5.404 7.212 7.565 1.00 0.00 H new ATOM 257 N ILE A 378 1.103 9.463 4.510 1.00 0.00 N ATOM 258 CA ILE A 378 1.233 10.063 3.185 1.00 0.00 C ATOM 259 C ILE A 378 -0.110 10.504 2.606 1.00 0.00 C ATOM 260 O ILE A 378 -0.188 11.516 1.909 1.00 0.00 O ATOM 261 CB ILE A 378 1.931 9.106 2.191 1.00 0.00 C ATOM 262 CG1 ILE A 378 1.081 7.865 1.924 1.00 0.00 C ATOM 263 CG2 ILE A 378 3.299 8.703 2.716 1.00 0.00 C ATOM 264 CD1 ILE A 378 1.319 7.266 0.557 1.00 0.00 C ATOM 0 H ILE A 378 0.289 8.861 4.632 1.00 0.00 H new ATOM 0 HA ILE A 378 1.852 10.950 3.322 1.00 0.00 H new ATOM 0 HB ILE A 378 2.056 9.638 1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 378 1.295 7.115 2.685 1.00 0.00 H new ATOM 0 HG13 ILE A 378 0.027 8.126 2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 378 3.778 8.029 2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 378 3.916 9.592 2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 378 3.186 8.198 3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 378 0.686 6.388 0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 378 1.078 8.002 -0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 378 2.365 6.975 0.464 1.00 0.00 H new ATOM 276 N GLY A 379 -1.161 9.742 2.882 1.00 0.00 N ATOM 277 CA GLY A 379 -2.472 10.080 2.363 1.00 0.00 C ATOM 278 C GLY A 379 -3.004 11.386 2.919 1.00 0.00 C ATOM 279 O GLY A 379 -3.477 11.435 4.053 1.00 0.00 O ATOM 0 H GLY A 379 -1.129 8.898 3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -2.422 10.147 1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -3.170 9.278 2.601 1.00 0.00 H new ATOM 283 N TYR A 380 -2.939 12.446 2.116 1.00 0.00 N ATOM 284 CA TYR A 380 -3.437 13.750 2.552 1.00 0.00 C ATOM 285 C TYR A 380 -4.929 13.885 2.249 1.00 0.00 C ATOM 286 O TYR A 380 -5.771 13.657 3.118 1.00 0.00 O ATOM 287 CB TYR A 380 -2.663 14.918 1.908 1.00 0.00 C ATOM 288 CG TYR A 380 -1.684 14.535 0.815 1.00 0.00 C ATOM 289 CD1 TYR A 380 -2.098 14.410 -0.506 1.00 0.00 C ATOM 290 CD2 TYR A 380 -0.342 14.318 1.102 1.00 0.00 C ATOM 291 CE1 TYR A 380 -1.204 14.080 -1.507 1.00 0.00 C ATOM 292 CE2 TYR A 380 0.557 13.986 0.109 1.00 0.00 C ATOM 293 CZ TYR A 380 0.122 13.870 -1.194 1.00 0.00 C ATOM 294 OH TYR A 380 1.014 13.547 -2.190 1.00 0.00 O ATOM 0 H TYR A 380 -2.552 12.430 1.172 1.00 0.00 H new ATOM 0 HA TYR A 380 -3.279 13.804 3.629 1.00 0.00 H new ATOM 0 HB2 TYR A 380 -3.384 15.623 1.494 1.00 0.00 H new ATOM 0 HB3 TYR A 380 -2.117 15.444 2.691 1.00 0.00 H new ATOM 0 HD1 TYR A 380 -3.136 14.574 -0.754 1.00 0.00 H new ATOM 0 HD2 TYR A 380 0.004 14.411 2.121 1.00 0.00 H new ATOM 0 HE1 TYR A 380 -1.542 13.987 -2.528 1.00 0.00 H new ATOM 0 HE2 TYR A 380 1.596 13.818 0.351 1.00 0.00 H new ATOM 0 HH TYR A 380 1.687 12.928 -1.838 1.00 0.00 H new ATOM 304 N ALA A 381 -5.249 14.250 1.012 1.00 0.00 N ATOM 305 CA ALA A 381 -6.636 14.411 0.593 1.00 0.00 C ATOM 306 C ALA A 381 -6.868 13.764 -0.768 1.00 0.00 C ATOM 307 O ALA A 381 -7.753 12.923 -0.924 1.00 0.00 O ATOM 308 CB ALA A 381 -7.010 15.885 0.551 1.00 0.00 C ATOM 0 H ALA A 381 -4.564 14.440 0.280 1.00 0.00 H new ATOM 0 HA ALA A 381 -7.274 13.911 1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 381 -8.049 15.988 0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 381 -6.886 16.320 1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 381 -6.363 16.404 -0.156 1.00 0.00 H new ATOM 314 N SER A 382 -6.061 14.158 -1.748 1.00 0.00 N ATOM 315 CA SER A 382 -6.172 13.612 -3.096 1.00 0.00 C ATOM 316 C SER A 382 -5.532 12.229 -3.174 1.00 0.00 C ATOM 317 O SER A 382 -5.881 11.420 -4.034 1.00 0.00 O ATOM 318 CB SER A 382 -5.509 14.551 -4.106 1.00 0.00 C ATOM 319 OG SER A 382 -6.240 14.593 -5.319 1.00 0.00 O ATOM 0 H SER A 382 -5.323 14.853 -1.634 1.00 0.00 H new ATOM 0 HA SER A 382 -7.231 13.519 -3.339 1.00 0.00 H new ATOM 0 HB2 SER A 382 -5.440 15.554 -3.684 1.00 0.00 H new ATOM 0 HB3 SER A 382 -4.490 14.217 -4.303 1.00 0.00 H new ATOM 0 HG SER A 382 -5.797 15.201 -5.947 1.00 0.00 H new ATOM 325 N LEU A 383 -4.594 11.963 -2.268 1.00 0.00 N ATOM 326 CA LEU A 383 -3.904 10.679 -2.228 1.00 0.00 C ATOM 327 C LEU A 383 -4.874 9.556 -1.874 1.00 0.00 C ATOM 328 O LEU A 383 -4.890 9.069 -0.743 1.00 0.00 O ATOM 329 CB LEU A 383 -2.760 10.728 -1.206 1.00 0.00 C ATOM 330 CG LEU A 383 -1.343 10.870 -1.782 1.00 0.00 C ATOM 331 CD1 LEU A 383 -0.674 9.508 -1.897 1.00 0.00 C ATOM 332 CD2 LEU A 383 -1.359 11.577 -3.132 1.00 0.00 C ATOM 0 H LEU A 383 -4.295 12.623 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 383 -3.491 10.479 -3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -2.940 11.563 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 383 -2.797 9.818 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 383 -0.764 11.485 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 383 0.329 9.629 -2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -0.610 9.050 -0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 383 -1.261 8.869 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 383 -0.340 11.661 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 383 -1.962 11.004 -3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 383 -1.786 12.573 -3.016 1.00 0.00 H new ATOM 344 N ARG A 384 -5.681 9.149 -2.847 1.00 0.00 N ATOM 345 CA ARG A 384 -6.652 8.082 -2.636 1.00 0.00 C ATOM 346 C ARG A 384 -5.958 6.728 -2.558 1.00 0.00 C ATOM 347 O ARG A 384 -6.065 5.909 -3.471 1.00 0.00 O ATOM 348 CB ARG A 384 -7.688 8.077 -3.762 1.00 0.00 C ATOM 349 CG ARG A 384 -8.505 9.356 -3.842 1.00 0.00 C ATOM 350 CD ARG A 384 -9.587 9.262 -4.906 1.00 0.00 C ATOM 351 NE ARG A 384 -10.803 8.634 -4.395 1.00 0.00 N ATOM 352 CZ ARG A 384 -11.881 8.392 -5.138 1.00 0.00 C ATOM 353 NH1 ARG A 384 -11.899 8.724 -6.423 1.00 0.00 N ATOM 354 NH2 ARG A 384 -12.945 7.816 -4.594 1.00 0.00 N ATOM 0 H ARG A 384 -5.682 9.541 -3.789 1.00 0.00 H new ATOM 0 HA ARG A 384 -7.159 8.265 -1.689 1.00 0.00 H new ATOM 0 HB2 ARG A 384 -7.178 7.921 -4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 384 -8.363 7.233 -3.620 1.00 0.00 H new ATOM 0 HG2 ARG A 384 -8.963 9.558 -2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 384 -7.847 10.196 -4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 384 -9.822 10.261 -5.274 1.00 0.00 H new ATOM 0 HD3 ARG A 384 -9.212 8.690 -5.755 1.00 0.00 H new ATOM 0 HE ARG A 384 -10.828 8.365 -3.411 1.00 0.00 H new ATOM 0 HH11 ARG A 384 -11.084 9.167 -6.847 1.00 0.00 H new ATOM 0 HH12 ARG A 384 -12.728 8.536 -6.987 1.00 0.00 H new ATOM 0 HH21 ARG A 384 -12.937 7.559 -3.607 1.00 0.00 H new ATOM 0 HH22 ARG A 384 -13.771 7.630 -5.163 1.00 0.00 H new ATOM 366 N LEU A 385 -5.244 6.497 -1.459 1.00 0.00 N ATOM 367 CA LEU A 385 -4.529 5.241 -1.258 1.00 0.00 C ATOM 368 C LEU A 385 -5.457 4.048 -1.463 1.00 0.00 C ATOM 369 O LEU A 385 -6.286 3.739 -0.606 1.00 0.00 O ATOM 370 CB LEU A 385 -3.920 5.197 0.145 1.00 0.00 C ATOM 371 CG LEU A 385 -3.024 3.987 0.424 1.00 0.00 C ATOM 372 CD1 LEU A 385 -1.559 4.362 0.269 1.00 0.00 C ATOM 373 CD2 LEU A 385 -3.292 3.433 1.815 1.00 0.00 C ATOM 0 H LEU A 385 -5.146 7.164 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 385 -3.728 5.184 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 385 -3.337 6.105 0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -4.728 5.208 0.876 1.00 0.00 H new ATOM 0 HG LEU A 385 -3.258 3.210 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -0.937 3.490 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -1.378 4.709 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -1.310 5.156 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -2.646 2.574 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -3.087 4.203 2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -4.335 3.125 1.889 1.00 0.00 H new ATOM 385 N HIS A 386 -5.316 3.384 -2.605 1.00 0.00 N ATOM 386 CA HIS A 386 -6.142 2.229 -2.925 1.00 0.00 C ATOM 387 C HIS A 386 -5.278 1.043 -3.336 1.00 0.00 C ATOM 388 O HIS A 386 -4.260 1.208 -4.010 1.00 0.00 O ATOM 389 CB HIS A 386 -7.123 2.573 -4.048 1.00 0.00 C ATOM 390 CG HIS A 386 -8.363 1.734 -4.040 1.00 0.00 C ATOM 391 ND1 HIS A 386 -9.259 1.724 -2.991 1.00 0.00 N ATOM 392 CD2 HIS A 386 -8.855 0.873 -4.961 1.00 0.00 C ATOM 393 CE1 HIS A 386 -10.249 0.894 -3.269 1.00 0.00 C ATOM 394 NE2 HIS A 386 -10.029 0.366 -4.458 1.00 0.00 N ATOM 0 H HIS A 386 -4.636 3.628 -3.325 1.00 0.00 H new ATOM 0 HA HIS A 386 -6.704 1.956 -2.032 1.00 0.00 H new ATOM 0 HB2 HIS A 386 -7.404 3.623 -3.964 1.00 0.00 H new ATOM 0 HB3 HIS A 386 -6.620 2.453 -5.008 1.00 0.00 H new ATOM 0 HD2 HIS A 386 -8.408 0.630 -5.914 1.00 0.00 H new ATOM 0 HE1 HIS A 386 -11.095 0.684 -2.631 1.00 0.00 H new ATOM 0 HE2 HIS A 386 -10.632 -0.309 -4.928 1.00 0.00 H new ATOM 403 N TYR A 387 -5.685 -0.153 -2.926 1.00 0.00 N ATOM 404 CA TYR A 387 -4.945 -1.362 -3.250 1.00 0.00 C ATOM 405 C TYR A 387 -5.696 -2.208 -4.269 1.00 0.00 C ATOM 406 O TYR A 387 -6.838 -2.607 -4.043 1.00 0.00 O ATOM 407 CB TYR A 387 -4.674 -2.173 -1.985 1.00 0.00 C ATOM 408 CG TYR A 387 -3.519 -1.634 -1.176 1.00 0.00 C ATOM 409 CD1 TYR A 387 -3.591 -0.380 -0.582 1.00 0.00 C ATOM 410 CD2 TYR A 387 -2.354 -2.371 -1.016 1.00 0.00 C ATOM 411 CE1 TYR A 387 -2.535 0.124 0.150 1.00 0.00 C ATOM 412 CE2 TYR A 387 -1.294 -1.875 -0.285 1.00 0.00 C ATOM 413 CZ TYR A 387 -1.388 -0.627 0.296 1.00 0.00 C ATOM 414 OH TYR A 387 -0.332 -0.129 1.024 1.00 0.00 O ATOM 0 H TYR A 387 -6.525 -0.309 -2.368 1.00 0.00 H new ATOM 0 HA TYR A 387 -3.993 -1.067 -3.691 1.00 0.00 H new ATOM 0 HB2 TYR A 387 -5.571 -2.182 -1.366 1.00 0.00 H new ATOM 0 HB3 TYR A 387 -4.467 -3.207 -2.260 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -4.488 0.210 -0.695 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -2.276 -3.348 -1.471 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -2.607 1.101 0.606 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -0.394 -2.461 -0.168 1.00 0.00 H new ATOM 0 HH TYR A 387 -0.670 0.467 1.724 1.00 0.00 H new ATOM 424 N VAL A 388 -5.046 -2.471 -5.396 1.00 0.00 N ATOM 425 CA VAL A 388 -5.645 -3.263 -6.459 1.00 0.00 C ATOM 426 C VAL A 388 -4.820 -4.513 -6.750 1.00 0.00 C ATOM 427 O VAL A 388 -3.634 -4.426 -7.071 1.00 0.00 O ATOM 428 CB VAL A 388 -5.783 -2.433 -7.750 1.00 0.00 C ATOM 429 CG1 VAL A 388 -6.430 -3.255 -8.856 1.00 0.00 C ATOM 430 CG2 VAL A 388 -6.578 -1.165 -7.484 1.00 0.00 C ATOM 0 H VAL A 388 -4.100 -2.145 -5.596 1.00 0.00 H new ATOM 0 HA VAL A 388 -6.635 -3.566 -6.117 1.00 0.00 H new ATOM 0 HB VAL A 388 -4.785 -2.149 -8.083 1.00 0.00 H new ATOM 0 HG11 VAL A 388 -6.517 -2.648 -9.757 1.00 0.00 H new ATOM 0 HG12 VAL A 388 -5.815 -4.130 -9.066 1.00 0.00 H new ATOM 0 HG13 VAL A 388 -7.422 -3.576 -8.538 1.00 0.00 H new ATOM 0 HG21 VAL A 388 -6.666 -0.591 -8.406 1.00 0.00 H new ATOM 0 HG22 VAL A 388 -7.573 -1.428 -7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 388 -6.066 -0.566 -6.731 1.00 0.00 H new ATOM 440 N THR A 389 -5.458 -5.674 -6.643 1.00 0.00 N ATOM 441 CA THR A 389 -4.786 -6.942 -6.902 1.00 0.00 C ATOM 442 C THR A 389 -4.823 -7.272 -8.390 1.00 0.00 C ATOM 443 O THR A 389 -5.845 -7.083 -9.051 1.00 0.00 O ATOM 444 CB THR A 389 -5.440 -8.067 -6.097 1.00 0.00 C ATOM 445 OG1 THR A 389 -6.645 -8.488 -6.712 1.00 0.00 O ATOM 446 CG2 THR A 389 -5.763 -7.674 -4.672 1.00 0.00 C ATOM 0 H THR A 389 -6.439 -5.763 -6.379 1.00 0.00 H new ATOM 0 HA THR A 389 -3.745 -6.848 -6.591 1.00 0.00 H new ATOM 0 HB THR A 389 -4.706 -8.872 -6.076 1.00 0.00 H new ATOM 0 HG1 THR A 389 -7.047 -9.209 -6.184 1.00 0.00 H new ATOM 0 HG21 THR A 389 -6.224 -8.517 -4.158 1.00 0.00 H new ATOM 0 HG22 THR A 389 -4.846 -7.392 -4.156 1.00 0.00 H new ATOM 0 HG23 THR A 389 -6.452 -6.830 -4.675 1.00 0.00 H new ATOM 594 N ASN A 399 1.382 -16.304 -7.060 1.00 0.00 N ATOM 595 CA ASN A 399 0.917 -15.809 -5.769 1.00 0.00 C ATOM 596 C ASN A 399 -0.054 -14.648 -5.955 1.00 0.00 C ATOM 597 O ASN A 399 -0.507 -14.379 -7.067 1.00 0.00 O ATOM 598 CB ASN A 399 2.104 -15.365 -4.911 1.00 0.00 C ATOM 599 CG ASN A 399 3.187 -16.422 -4.827 1.00 0.00 C ATOM 600 OD1 ASN A 399 3.274 -17.164 -3.850 1.00 0.00 O ATOM 601 ND2 ASN A 399 4.022 -16.494 -5.857 1.00 0.00 N ATOM 0 HA ASN A 399 0.396 -16.620 -5.261 1.00 0.00 H new ATOM 0 HB2 ASN A 399 2.526 -14.450 -5.326 1.00 0.00 H new ATOM 0 HB3 ASN A 399 1.754 -15.128 -3.906 1.00 0.00 H new ATOM 0 HD21 ASN A 399 4.772 -17.185 -5.858 1.00 0.00 H new ATOM 0 HD22 ASN A 399 3.913 -15.858 -6.647 1.00 0.00 H new ATOM 608 N SER A 400 -0.366 -13.960 -4.862 1.00 0.00 N ATOM 609 CA SER A 400 -1.279 -12.826 -4.911 1.00 0.00 C ATOM 610 C SER A 400 -0.499 -11.520 -5.006 1.00 0.00 C ATOM 611 O SER A 400 -0.043 -10.984 -3.998 1.00 0.00 O ATOM 612 CB SER A 400 -2.183 -12.813 -3.675 1.00 0.00 C ATOM 613 OG SER A 400 -3.545 -12.955 -4.038 1.00 0.00 O ATOM 0 H SER A 400 -0.000 -14.168 -3.933 1.00 0.00 H new ATOM 0 HA SER A 400 -1.904 -12.925 -5.798 1.00 0.00 H new ATOM 0 HB2 SER A 400 -1.896 -13.622 -3.002 1.00 0.00 H new ATOM 0 HB3 SER A 400 -2.044 -11.880 -3.129 1.00 0.00 H new ATOM 0 HG SER A 400 -4.101 -12.945 -3.231 1.00 0.00 H new ATOM 619 N ILE A 401 -0.344 -11.018 -6.224 1.00 0.00 N ATOM 620 CA ILE A 401 0.388 -9.779 -6.447 1.00 0.00 C ATOM 621 C ILE A 401 -0.537 -8.568 -6.364 1.00 0.00 C ATOM 622 O ILE A 401 -1.562 -8.507 -7.045 1.00 0.00 O ATOM 623 CB ILE A 401 1.120 -9.798 -7.811 1.00 0.00 C ATOM 624 CG1 ILE A 401 2.385 -8.943 -7.744 1.00 0.00 C ATOM 625 CG2 ILE A 401 0.211 -9.323 -8.940 1.00 0.00 C ATOM 626 CD1 ILE A 401 2.116 -7.487 -7.431 1.00 0.00 C ATOM 0 H ILE A 401 -0.715 -11.449 -7.071 1.00 0.00 H new ATOM 0 HA ILE A 401 1.134 -9.697 -5.657 1.00 0.00 H new ATOM 0 HB ILE A 401 1.401 -10.829 -8.027 1.00 0.00 H new ATOM 0 HG12 ILE A 401 3.050 -9.352 -6.984 1.00 0.00 H new ATOM 0 HG13 ILE A 401 2.910 -9.010 -8.697 1.00 0.00 H new ATOM 0 HG21 ILE A 401 0.758 -9.349 -9.883 1.00 0.00 H new ATOM 0 HG22 ILE A 401 -0.659 -9.977 -9.006 1.00 0.00 H new ATOM 0 HG23 ILE A 401 -0.116 -8.303 -8.739 1.00 0.00 H new ATOM 0 HD11 ILE A 401 3.059 -6.941 -7.399 1.00 0.00 H new ATOM 0 HD12 ILE A 401 1.476 -7.061 -8.204 1.00 0.00 H new ATOM 0 HD13 ILE A 401 1.619 -7.409 -6.464 1.00 0.00 H new ATOM 638 N VAL A 402 -0.169 -7.607 -5.524 1.00 0.00 N ATOM 639 CA VAL A 402 -0.962 -6.399 -5.348 1.00 0.00 C ATOM 640 C VAL A 402 -0.105 -5.154 -5.533 1.00 0.00 C ATOM 641 O VAL A 402 1.115 -5.196 -5.379 1.00 0.00 O ATOM 642 CB VAL A 402 -1.627 -6.357 -3.961 1.00 0.00 C ATOM 643 CG1 VAL A 402 -2.580 -5.176 -3.861 1.00 0.00 C ATOM 644 CG2 VAL A 402 -2.352 -7.664 -3.677 1.00 0.00 C ATOM 0 H VAL A 402 0.676 -7.643 -4.954 1.00 0.00 H new ATOM 0 HA VAL A 402 -1.742 -6.416 -6.109 1.00 0.00 H new ATOM 0 HB VAL A 402 -0.849 -6.230 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 402 -3.041 -5.163 -2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 402 -2.028 -4.249 -4.016 1.00 0.00 H new ATOM 0 HG13 VAL A 402 -3.355 -5.269 -4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 402 -2.816 -7.616 -2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 402 -3.121 -7.825 -4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 402 -1.639 -8.488 -3.702 1.00 0.00 H new ATOM 654 N GLU A 403 -0.755 -4.046 -5.869 1.00 0.00 N ATOM 655 CA GLU A 403 -0.057 -2.786 -6.080 1.00 0.00 C ATOM 656 C GLU A 403 -0.858 -1.614 -5.523 1.00 0.00 C ATOM 657 O GLU A 403 -1.997 -1.378 -5.927 1.00 0.00 O ATOM 658 CB GLU A 403 0.212 -2.571 -7.571 1.00 0.00 C ATOM 659 CG GLU A 403 0.909 -3.743 -8.241 1.00 0.00 C ATOM 660 CD GLU A 403 0.832 -3.681 -9.755 1.00 0.00 C ATOM 661 OE1 GLU A 403 -0.296 -3.636 -10.290 1.00 0.00 O ATOM 662 OE2 GLU A 403 1.900 -3.678 -10.404 1.00 0.00 O ATOM 0 H GLU A 403 -1.765 -3.996 -6.001 1.00 0.00 H new ATOM 0 HA GLU A 403 0.893 -2.836 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 403 -0.734 -2.384 -8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 403 0.823 -1.677 -7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 403 1.955 -3.762 -7.935 1.00 0.00 H new ATOM 0 HG3 GLU A 403 0.459 -4.674 -7.896 1.00 0.00 H new ATOM 669 N CYS A 404 -0.251 -0.882 -4.596 1.00 0.00 N ATOM 670 CA CYS A 404 -0.900 0.270 -3.983 1.00 0.00 C ATOM 671 C CYS A 404 -0.783 1.492 -4.886 1.00 0.00 C ATOM 672 O CYS A 404 0.308 2.023 -5.085 1.00 0.00 O ATOM 673 CB CYS A 404 -0.271 0.569 -2.621 1.00 0.00 C ATOM 674 SG CYS A 404 -0.944 2.033 -1.798 1.00 0.00 S ATOM 0 H CYS A 404 0.691 -1.067 -4.252 1.00 0.00 H new ATOM 0 HA CYS A 404 -1.955 0.036 -3.844 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -0.410 -0.295 -1.972 1.00 0.00 H new ATOM 0 HB3 CYS A 404 0.803 0.701 -2.751 1.00 0.00 H new ATOM 0 HG CYS A 404 -1.799 1.666 -0.890 1.00 0.00 H new ATOM 680 N ARG A 405 -1.912 1.935 -5.430 1.00 0.00 N ATOM 681 CA ARG A 405 -1.929 3.094 -6.308 1.00 0.00 C ATOM 682 C ARG A 405 -2.587 4.282 -5.622 1.00 0.00 C ATOM 683 O ARG A 405 -3.584 4.130 -4.915 1.00 0.00 O ATOM 684 CB ARG A 405 -2.666 2.771 -7.609 1.00 0.00 C ATOM 685 CG ARG A 405 -1.959 1.731 -8.467 1.00 0.00 C ATOM 686 CD ARG A 405 -2.794 0.468 -8.621 1.00 0.00 C ATOM 687 NE ARG A 405 -2.818 -0.005 -10.004 1.00 0.00 N ATOM 688 CZ ARG A 405 -3.592 0.518 -10.952 1.00 0.00 C ATOM 689 NH1 ARG A 405 -4.406 1.529 -10.673 1.00 0.00 N ATOM 690 NH2 ARG A 405 -3.553 0.028 -12.184 1.00 0.00 N ATOM 0 H ARG A 405 -2.825 1.507 -5.277 1.00 0.00 H new ATOM 0 HA ARG A 405 -0.897 3.354 -6.542 1.00 0.00 H new ATOM 0 HB2 ARG A 405 -3.668 2.413 -7.370 1.00 0.00 H new ATOM 0 HB3 ARG A 405 -2.784 3.687 -8.187 1.00 0.00 H new ATOM 0 HG2 ARG A 405 -1.750 2.152 -9.451 1.00 0.00 H new ATOM 0 HG3 ARG A 405 -0.998 1.480 -8.017 1.00 0.00 H new ATOM 0 HD2 ARG A 405 -2.392 -0.314 -7.977 1.00 0.00 H new ATOM 0 HD3 ARG A 405 -3.813 0.663 -8.287 1.00 0.00 H new ATOM 0 HE ARG A 405 -2.206 -0.781 -10.257 1.00 0.00 H new ATOM 0 HH11 ARG A 405 -4.441 1.910 -9.727 1.00 0.00 H new ATOM 0 HH12 ARG A 405 -4.996 1.925 -11.404 1.00 0.00 H new ATOM 0 HH21 ARG A 405 -2.930 -0.749 -12.404 1.00 0.00 H new ATOM 0 HH22 ARG A 405 -4.146 0.428 -12.911 1.00 0.00 H new ATOM 702 N VAL A 406 -2.023 5.463 -5.831 1.00 0.00 N ATOM 703 CA VAL A 406 -2.556 6.676 -5.229 1.00 0.00 C ATOM 704 C VAL A 406 -3.593 7.331 -6.137 1.00 0.00 C ATOM 705 O VAL A 406 -3.766 6.930 -7.288 1.00 0.00 O ATOM 706 CB VAL A 406 -1.440 7.692 -4.922 1.00 0.00 C ATOM 707 CG1 VAL A 406 -0.489 7.137 -3.871 1.00 0.00 C ATOM 708 CG2 VAL A 406 -0.688 8.060 -6.191 1.00 0.00 C ATOM 0 H VAL A 406 -1.197 5.607 -6.412 1.00 0.00 H new ATOM 0 HA VAL A 406 -3.031 6.381 -4.294 1.00 0.00 H new ATOM 0 HB VAL A 406 -1.897 8.598 -4.524 1.00 0.00 H new ATOM 0 HG11 VAL A 406 0.293 7.868 -3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 406 -1.041 6.930 -2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 406 -0.038 6.216 -4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 406 0.096 8.779 -5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 406 -0.241 7.164 -6.622 1.00 0.00 H new ATOM 0 HG23 VAL A 406 -1.380 8.501 -6.909 1.00 0.00 H new ATOM 744 N THR A 410 -0.331 6.640 -9.360 1.00 0.00 N ATOM 745 CA THR A 410 1.057 6.197 -9.286 1.00 0.00 C ATOM 746 C THR A 410 1.244 5.183 -8.162 1.00 0.00 C ATOM 747 O THR A 410 0.996 5.486 -6.994 1.00 0.00 O ATOM 748 CB THR A 410 1.981 7.397 -9.069 1.00 0.00 C ATOM 749 OG1 THR A 410 1.875 8.313 -10.144 1.00 0.00 O ATOM 750 CG2 THR A 410 3.441 7.019 -8.932 1.00 0.00 C ATOM 0 HA THR A 410 1.313 5.715 -10.229 1.00 0.00 H new ATOM 0 HB THR A 410 1.651 7.845 -8.132 1.00 0.00 H new ATOM 0 HG1 THR A 410 0.958 8.307 -10.489 1.00 0.00 H new ATOM 0 HG21 THR A 410 4.037 7.919 -8.781 1.00 0.00 H new ATOM 0 HG22 THR A 410 3.566 6.353 -8.078 1.00 0.00 H new ATOM 0 HG23 THR A 410 3.772 6.513 -9.839 1.00 0.00 H new ATOM 758 N VAL A 411 1.683 3.981 -8.520 1.00 0.00 N ATOM 759 CA VAL A 411 1.902 2.928 -7.536 1.00 0.00 C ATOM 760 C VAL A 411 3.088 3.259 -6.640 1.00 0.00 C ATOM 761 O VAL A 411 4.221 3.381 -7.108 1.00 0.00 O ATOM 762 CB VAL A 411 2.145 1.564 -8.211 1.00 0.00 C ATOM 763 CG1 VAL A 411 2.116 0.446 -7.179 1.00 0.00 C ATOM 764 CG2 VAL A 411 1.118 1.317 -9.307 1.00 0.00 C ATOM 0 H VAL A 411 1.894 3.713 -9.481 1.00 0.00 H new ATOM 0 HA VAL A 411 0.997 2.865 -6.932 1.00 0.00 H new ATOM 0 HB VAL A 411 3.133 1.578 -8.671 1.00 0.00 H new ATOM 0 HG11 VAL A 411 2.289 -0.510 -7.673 1.00 0.00 H new ATOM 0 HG12 VAL A 411 2.895 0.617 -6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 411 1.143 0.429 -6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 411 1.307 0.349 -9.771 1.00 0.00 H new ATOM 0 HG22 VAL A 411 0.117 1.324 -8.876 1.00 0.00 H new ATOM 0 HG23 VAL A 411 1.194 2.101 -10.060 1.00 0.00 H new ATOM 774 N LEU A 412 2.818 3.411 -5.348 1.00 0.00 N ATOM 775 CA LEU A 412 3.859 3.736 -4.383 1.00 0.00 C ATOM 776 C LEU A 412 4.284 2.506 -3.587 1.00 0.00 C ATOM 777 O LEU A 412 5.370 2.481 -3.008 1.00 0.00 O ATOM 778 CB LEU A 412 3.367 4.824 -3.428 1.00 0.00 C ATOM 779 CG LEU A 412 4.463 5.719 -2.850 1.00 0.00 C ATOM 780 CD1 LEU A 412 4.618 6.978 -3.688 1.00 0.00 C ATOM 781 CD2 LEU A 412 4.155 6.072 -1.402 1.00 0.00 C ATOM 0 H LEU A 412 1.886 3.314 -4.946 1.00 0.00 H new ATOM 0 HA LEU A 412 4.725 4.099 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 412 2.647 5.451 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 412 2.834 4.350 -2.604 1.00 0.00 H new ATOM 0 HG LEU A 412 5.405 5.172 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 412 5.402 7.604 -3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 412 4.885 6.705 -4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 412 3.678 7.529 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 412 4.946 6.710 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 412 3.203 6.601 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 412 4.095 5.159 -0.810 1.00 0.00 H new ATOM 793 N GLY A 413 3.424 1.492 -3.551 1.00 0.00 N ATOM 794 CA GLY A 413 3.744 0.286 -2.807 1.00 0.00 C ATOM 795 C GLY A 413 3.313 -0.983 -3.518 1.00 0.00 C ATOM 796 O GLY A 413 2.121 -1.259 -3.642 1.00 0.00 O ATOM 0 H GLY A 413 2.518 1.483 -4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 413 4.819 0.249 -2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 413 3.262 0.330 -1.830 1.00 0.00 H new ATOM 800 N THR A 414 4.289 -1.760 -3.980 1.00 0.00 N ATOM 801 CA THR A 414 4.014 -3.008 -4.675 1.00 0.00 C ATOM 802 C THR A 414 4.625 -4.189 -3.924 1.00 0.00 C ATOM 803 O THR A 414 5.794 -4.149 -3.536 1.00 0.00 O ATOM 804 CB THR A 414 4.568 -2.943 -6.097 1.00 0.00 C ATOM 805 OG1 THR A 414 3.901 -1.946 -6.849 1.00 0.00 O ATOM 806 CG2 THR A 414 4.448 -4.248 -6.857 1.00 0.00 C ATOM 0 H THR A 414 5.281 -1.543 -3.883 1.00 0.00 H new ATOM 0 HA THR A 414 2.934 -3.152 -4.719 1.00 0.00 H new ATOM 0 HB THR A 414 5.627 -2.711 -5.979 1.00 0.00 H new ATOM 0 HG1 THR A 414 4.271 -1.918 -7.756 1.00 0.00 H new ATOM 0 HG21 THR A 414 4.862 -4.125 -7.858 1.00 0.00 H new ATOM 0 HG22 THR A 414 4.998 -5.028 -6.330 1.00 0.00 H new ATOM 0 HG23 THR A 414 3.398 -4.531 -6.931 1.00 0.00 H new ATOM 814 N GLY A 415 3.833 -5.237 -3.720 1.00 0.00 N ATOM 815 CA GLY A 415 4.323 -6.406 -3.014 1.00 0.00 C ATOM 816 C GLY A 415 3.477 -7.640 -3.259 1.00 0.00 C ATOM 817 O GLY A 415 2.263 -7.543 -3.446 1.00 0.00 O ATOM 0 H GLY A 415 2.863 -5.297 -4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 415 5.349 -6.608 -3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 415 4.348 -6.195 -1.945 1.00 0.00 H new ATOM 821 N VAL A 416 4.120 -8.803 -3.255 1.00 0.00 N ATOM 822 CA VAL A 416 3.430 -10.066 -3.476 1.00 0.00 C ATOM 823 C VAL A 416 3.054 -10.718 -2.150 1.00 0.00 C ATOM 824 O VAL A 416 3.593 -10.369 -1.099 1.00 0.00 O ATOM 825 CB VAL A 416 4.310 -11.034 -4.283 1.00 0.00 C ATOM 826 CG1 VAL A 416 3.550 -12.308 -4.622 1.00 0.00 C ATOM 827 CG2 VAL A 416 4.829 -10.361 -5.546 1.00 0.00 C ATOM 0 H VAL A 416 5.124 -8.895 -3.100 1.00 0.00 H new ATOM 0 HA VAL A 416 2.522 -9.850 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 416 5.165 -11.309 -3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 416 4.195 -12.976 -5.193 1.00 0.00 H new ATOM 0 HG12 VAL A 416 3.240 -12.803 -3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 416 2.670 -12.060 -5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 416 5.450 -11.063 -6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 416 3.987 -10.050 -6.165 1.00 0.00 H new ATOM 0 HG23 VAL A 416 5.422 -9.488 -5.275 1.00 0.00 H new ATOM 837 N GLY A 417 2.129 -11.668 -2.205 1.00 0.00 N ATOM 838 CA GLY A 417 1.699 -12.355 -1.001 1.00 0.00 C ATOM 839 C GLY A 417 0.844 -13.570 -1.299 1.00 0.00 C ATOM 840 O GLY A 417 0.237 -13.662 -2.367 1.00 0.00 O ATOM 0 H GLY A 417 1.668 -11.975 -3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 417 2.575 -12.663 -0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 417 1.136 -11.664 -0.374 1.00 0.00 H new ATOM 844 N ARG A 418 0.796 -14.503 -0.355 1.00 0.00 N ATOM 845 CA ARG A 418 0.007 -15.719 -0.523 1.00 0.00 C ATOM 846 C ARG A 418 -1.460 -15.383 -0.775 1.00 0.00 C ATOM 847 O ARG A 418 -2.161 -16.108 -1.479 1.00 0.00 O ATOM 848 CB ARG A 418 0.132 -16.609 0.715 1.00 0.00 C ATOM 849 CG ARG A 418 -0.235 -15.905 2.010 1.00 0.00 C ATOM 850 CD ARG A 418 0.003 -16.797 3.219 1.00 0.00 C ATOM 851 NE ARG A 418 -1.208 -17.509 3.622 1.00 0.00 N ATOM 852 CZ ARG A 418 -1.580 -18.688 3.125 1.00 0.00 C ATOM 853 NH1 ARG A 418 -0.838 -19.296 2.207 1.00 0.00 N ATOM 854 NH2 ARG A 418 -2.698 -19.260 3.549 1.00 0.00 N ATOM 0 H ARG A 418 1.293 -14.442 0.534 1.00 0.00 H new ATOM 0 HA ARG A 418 0.394 -16.257 -1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -0.510 -17.481 0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 418 1.156 -16.974 0.788 1.00 0.00 H new ATOM 0 HG2 ARG A 418 0.354 -14.993 2.108 1.00 0.00 H new ATOM 0 HG3 ARG A 418 -1.283 -15.606 1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 418 0.787 -17.518 2.989 1.00 0.00 H new ATOM 0 HD3 ARG A 418 0.361 -16.191 4.051 1.00 0.00 H new ATOM 0 HE ARG A 418 -1.805 -17.077 4.327 1.00 0.00 H new ATOM 0 HH11 ARG A 418 0.024 -18.861 1.877 1.00 0.00 H new ATOM 0 HH12 ARG A 418 -1.130 -20.198 1.831 1.00 0.00 H new ATOM 0 HH21 ARG A 418 -3.272 -18.798 4.254 1.00 0.00 H new ATOM 0 HH22 ARG A 418 -2.985 -20.162 3.170 1.00 0.00 H new ATOM 866 N ASN A 419 -1.915 -14.276 -0.196 1.00 0.00 N ATOM 867 CA ASN A 419 -3.297 -13.841 -0.358 1.00 0.00 C ATOM 868 C ASN A 419 -3.412 -12.327 -0.204 1.00 0.00 C ATOM 869 O ASN A 419 -2.442 -11.651 0.139 1.00 0.00 O ATOM 870 CB ASN A 419 -4.197 -14.540 0.662 1.00 0.00 C ATOM 871 CG ASN A 419 -3.673 -14.411 2.077 1.00 0.00 C ATOM 872 OD1 ASN A 419 -3.158 -13.363 2.465 1.00 0.00 O ATOM 873 ND2 ASN A 419 -3.800 -15.479 2.857 1.00 0.00 N ATOM 0 H ASN A 419 -1.346 -13.664 0.389 1.00 0.00 H new ATOM 0 HA ASN A 419 -3.622 -14.111 -1.363 1.00 0.00 H new ATOM 0 HB2 ASN A 419 -5.200 -14.116 0.609 1.00 0.00 H new ATOM 0 HB3 ASN A 419 -4.283 -15.596 0.404 1.00 0.00 H new ATOM 0 HD21 ASN A 419 -3.464 -15.450 3.820 1.00 0.00 H new ATOM 0 HD22 ASN A 419 -4.234 -16.327 2.493 1.00 0.00 H new ATOM 880 N ILE A 420 -4.604 -11.800 -0.469 1.00 0.00 N ATOM 881 CA ILE A 420 -4.852 -10.365 -0.369 1.00 0.00 C ATOM 882 C ILE A 420 -4.373 -9.795 0.966 1.00 0.00 C ATOM 883 O ILE A 420 -3.945 -8.644 1.042 1.00 0.00 O ATOM 884 CB ILE A 420 -6.349 -10.033 -0.555 1.00 0.00 C ATOM 885 CG1 ILE A 420 -7.174 -10.554 0.623 1.00 0.00 C ATOM 886 CG2 ILE A 420 -6.864 -10.600 -1.871 1.00 0.00 C ATOM 887 CD1 ILE A 420 -7.249 -12.055 0.675 1.00 0.00 C ATOM 0 H ILE A 420 -5.416 -12.347 -0.756 1.00 0.00 H new ATOM 0 HA ILE A 420 -4.281 -9.901 -1.173 1.00 0.00 H new ATOM 0 HB ILE A 420 -6.456 -8.949 -0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -6.741 -10.186 1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -8.184 -10.148 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -7.920 -10.356 -1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -6.301 -10.168 -2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -6.740 -11.683 -1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -7.848 -12.360 1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -7.709 -12.428 -0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 420 -6.244 -12.466 0.769 1.00 0.00 H new ATOM 899 N LYS A 421 -4.450 -10.606 2.017 1.00 0.00 N ATOM 900 CA LYS A 421 -4.028 -10.174 3.346 1.00 0.00 C ATOM 901 C LYS A 421 -2.522 -9.949 3.397 1.00 0.00 C ATOM 902 O LYS A 421 -2.056 -8.874 3.776 1.00 0.00 O ATOM 903 CB LYS A 421 -4.438 -11.207 4.397 1.00 0.00 C ATOM 904 CG LYS A 421 -5.927 -11.204 4.703 1.00 0.00 C ATOM 905 CD LYS A 421 -6.459 -12.615 4.895 1.00 0.00 C ATOM 906 CE LYS A 421 -7.623 -12.645 5.872 1.00 0.00 C ATOM 907 NZ LYS A 421 -8.218 -14.004 5.985 1.00 0.00 N ATOM 0 H LYS A 421 -4.800 -11.563 1.975 1.00 0.00 H new ATOM 0 HA LYS A 421 -4.523 -9.228 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.148 -12.199 4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -3.886 -11.016 5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -6.113 -10.618 5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -6.466 -10.718 3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -6.779 -13.018 3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -5.660 -13.260 5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -7.282 -12.315 6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -8.388 -11.940 5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -9.008 -13.982 6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -8.567 -14.309 5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -7.495 -14.673 6.320 1.00 0.00 H new ATOM 921 N ILE A 422 -1.769 -10.969 3.014 1.00 0.00 N ATOM 922 CA ILE A 422 -0.313 -10.890 3.014 1.00 0.00 C ATOM 923 C ILE A 422 0.182 -9.943 1.927 1.00 0.00 C ATOM 924 O ILE A 422 0.991 -9.052 2.188 1.00 0.00 O ATOM 925 CB ILE A 422 0.325 -12.284 2.821 1.00 0.00 C ATOM 926 CG1 ILE A 422 0.194 -13.109 4.103 1.00 0.00 C ATOM 927 CG2 ILE A 422 1.790 -12.158 2.422 1.00 0.00 C ATOM 928 CD1 ILE A 422 -1.191 -13.675 4.324 1.00 0.00 C ATOM 0 H ILE A 422 -2.142 -11.864 2.698 1.00 0.00 H new ATOM 0 HA ILE A 422 -0.010 -10.501 3.986 1.00 0.00 H new ATOM 0 HB ILE A 422 -0.206 -12.795 2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 422 0.911 -13.929 4.071 1.00 0.00 H new ATOM 0 HG13 ILE A 422 0.462 -12.484 4.955 1.00 0.00 H new ATOM 0 HG21 ILE A 422 2.218 -13.152 2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 422 1.866 -11.605 1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 422 2.335 -11.627 3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 422 -1.206 -14.247 5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 422 -1.911 -12.859 4.389 1.00 0.00 H new ATOM 0 HD13 ILE A 422 -1.455 -14.327 3.491 1.00 0.00 H new ATOM 940 N ALA A 423 -0.307 -10.140 0.711 1.00 0.00 N ATOM 941 CA ALA A 423 0.089 -9.302 -0.413 1.00 0.00 C ATOM 942 C ALA A 423 -0.142 -7.831 -0.097 1.00 0.00 C ATOM 943 O ALA A 423 0.675 -6.974 -0.435 1.00 0.00 O ATOM 944 CB ALA A 423 -0.670 -9.701 -1.669 1.00 0.00 C ATOM 0 H ALA A 423 -0.978 -10.872 0.477 1.00 0.00 H new ATOM 0 HA ALA A 423 1.154 -9.451 -0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 423 -0.361 -9.064 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 423 -0.453 -10.742 -1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 423 -1.740 -9.583 -1.500 1.00 0.00 H new ATOM 950 N GLY A 424 -1.257 -7.549 0.566 1.00 0.00 N ATOM 951 CA GLY A 424 -1.575 -6.183 0.932 1.00 0.00 C ATOM 952 C GLY A 424 -0.541 -5.596 1.869 1.00 0.00 C ATOM 953 O GLY A 424 -0.013 -4.512 1.621 1.00 0.00 O ATOM 0 H GLY A 424 -1.946 -8.242 0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -1.639 -5.571 0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -2.555 -6.153 1.408 1.00 0.00 H new ATOM 957 N ILE A 425 -0.240 -6.322 2.943 1.00 0.00 N ATOM 958 CA ILE A 425 0.748 -5.873 3.913 1.00 0.00 C ATOM 959 C ILE A 425 2.119 -5.747 3.257 1.00 0.00 C ATOM 960 O ILE A 425 2.914 -4.880 3.616 1.00 0.00 O ATOM 961 CB ILE A 425 0.838 -6.840 5.111 1.00 0.00 C ATOM 962 CG1 ILE A 425 -0.512 -6.928 5.825 1.00 0.00 C ATOM 963 CG2 ILE A 425 1.926 -6.398 6.081 1.00 0.00 C ATOM 964 CD1 ILE A 425 -0.792 -8.290 6.420 1.00 0.00 C ATOM 0 H ILE A 425 -0.667 -7.222 3.161 1.00 0.00 H new ATOM 0 HA ILE A 425 0.429 -4.897 4.279 1.00 0.00 H new ATOM 0 HB ILE A 425 1.099 -7.829 4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 425 -0.544 -6.180 6.618 1.00 0.00 H new ATOM 0 HG13 ILE A 425 -1.304 -6.679 5.119 1.00 0.00 H new ATOM 0 HG21 ILE A 425 1.972 -7.094 6.918 1.00 0.00 H new ATOM 0 HG22 ILE A 425 2.887 -6.384 5.568 1.00 0.00 H new ATOM 0 HG23 ILE A 425 1.698 -5.399 6.452 1.00 0.00 H new ATOM 0 HD11 ILE A 425 -1.765 -8.280 6.910 1.00 0.00 H new ATOM 0 HD12 ILE A 425 -0.792 -9.040 5.629 1.00 0.00 H new ATOM 0 HD13 ILE A 425 -0.020 -8.534 7.150 1.00 0.00 H new ATOM 976 N ARG A 426 2.383 -6.616 2.287 1.00 0.00 N ATOM 977 CA ARG A 426 3.653 -6.600 1.574 1.00 0.00 C ATOM 978 C ARG A 426 3.776 -5.334 0.738 1.00 0.00 C ATOM 979 O ARG A 426 4.798 -4.648 0.776 1.00 0.00 O ATOM 980 CB ARG A 426 3.780 -7.834 0.679 1.00 0.00 C ATOM 981 CG ARG A 426 5.218 -8.260 0.430 1.00 0.00 C ATOM 982 CD ARG A 426 5.533 -9.588 1.098 1.00 0.00 C ATOM 983 NE ARG A 426 5.736 -9.441 2.536 1.00 0.00 N ATOM 984 CZ ARG A 426 6.864 -8.995 3.085 1.00 0.00 C ATOM 985 NH1 ARG A 426 7.892 -8.653 2.319 1.00 0.00 N ATOM 986 NH2 ARG A 426 6.964 -8.890 4.403 1.00 0.00 N ATOM 0 H ARG A 426 1.734 -7.340 1.977 1.00 0.00 H new ATOM 0 HA ARG A 426 4.459 -6.616 2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 426 3.239 -8.662 1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 426 3.300 -7.630 -0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 426 5.393 -8.341 -0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 426 5.895 -7.493 0.806 1.00 0.00 H new ATOM 0 HD2 ARG A 426 4.717 -10.288 0.916 1.00 0.00 H new ATOM 0 HD3 ARG A 426 6.428 -10.018 0.647 1.00 0.00 H new ATOM 0 HE ARG A 426 4.968 -9.695 3.157 1.00 0.00 H new ATOM 0 HH11 ARG A 426 7.820 -8.731 1.305 1.00 0.00 H new ATOM 0 HH12 ARG A 426 8.754 -8.312 2.745 1.00 0.00 H new ATOM 0 HH21 ARG A 426 6.177 -9.151 4.997 1.00 0.00 H new ATOM 0 HH22 ARG A 426 7.828 -8.548 4.823 1.00 0.00 H new ATOM 998 N ALA A 427 2.723 -5.025 -0.007 1.00 0.00 N ATOM 999 CA ALA A 427 2.705 -3.833 -0.845 1.00 0.00 C ATOM 1000 C ALA A 427 2.848 -2.580 0.008 1.00 0.00 C ATOM 1001 O ALA A 427 3.662 -1.704 -0.283 1.00 0.00 O ATOM 1002 CB ALA A 427 1.425 -3.778 -1.664 1.00 0.00 C ATOM 0 H ALA A 427 1.870 -5.583 -0.048 1.00 0.00 H new ATOM 0 HA ALA A 427 3.551 -3.880 -1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 427 1.428 -2.882 -2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 427 1.363 -4.660 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 427 0.565 -3.753 -0.994 1.00 0.00 H new ATOM 1008 N ALA A 428 2.058 -2.513 1.071 1.00 0.00 N ATOM 1009 CA ALA A 428 2.097 -1.379 1.983 1.00 0.00 C ATOM 1010 C ALA A 428 3.460 -1.286 2.653 1.00 0.00 C ATOM 1011 O ALA A 428 4.015 -0.198 2.814 1.00 0.00 O ATOM 1012 CB ALA A 428 1.001 -1.504 3.029 1.00 0.00 C ATOM 0 H ALA A 428 1.381 -3.233 1.323 1.00 0.00 H new ATOM 0 HA ALA A 428 1.928 -0.467 1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 428 1.043 -0.649 3.704 1.00 0.00 H new ATOM 0 HB2 ALA A 428 0.029 -1.530 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 428 1.144 -2.423 3.598 1.00 0.00 H new ATOM 1018 N GLU A 429 3.999 -2.439 3.030 1.00 0.00 N ATOM 1019 CA GLU A 429 5.305 -2.495 3.672 1.00 0.00 C ATOM 1020 C GLU A 429 6.381 -2.006 2.713 1.00 0.00 C ATOM 1021 O GLU A 429 7.309 -1.301 3.108 1.00 0.00 O ATOM 1022 CB GLU A 429 5.616 -3.920 4.132 1.00 0.00 C ATOM 1023 CG GLU A 429 5.151 -4.211 5.548 1.00 0.00 C ATOM 1024 CD GLU A 429 5.373 -5.656 5.949 1.00 0.00 C ATOM 1025 OE1 GLU A 429 6.228 -6.320 5.327 1.00 0.00 O ATOM 1026 OE2 GLU A 429 4.690 -6.125 6.884 1.00 0.00 O ATOM 0 H GLU A 429 3.552 -3.347 2.902 1.00 0.00 H new ATOM 0 HA GLU A 429 5.290 -1.845 4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 429 5.142 -4.626 3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 429 6.691 -4.088 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 429 5.682 -3.560 6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 429 4.091 -3.972 5.635 1.00 0.00 H new ATOM 1033 N ASN A 430 6.235 -2.371 1.444 1.00 0.00 N ATOM 1034 CA ASN A 430 7.182 -1.958 0.419 1.00 0.00 C ATOM 1035 C ASN A 430 7.175 -0.440 0.287 1.00 0.00 C ATOM 1036 O ASN A 430 8.199 0.175 -0.017 1.00 0.00 O ATOM 1037 CB ASN A 430 6.831 -2.605 -0.923 1.00 0.00 C ATOM 1038 CG ASN A 430 7.644 -3.856 -1.191 1.00 0.00 C ATOM 1039 OD1 ASN A 430 7.746 -4.739 -0.339 1.00 0.00 O ATOM 1040 ND2 ASN A 430 8.230 -3.937 -2.380 1.00 0.00 N ATOM 0 H ASN A 430 5.469 -2.952 1.102 1.00 0.00 H new ATOM 0 HA ASN A 430 8.180 -2.285 0.711 1.00 0.00 H new ATOM 0 HB2 ASN A 430 5.770 -2.855 -0.937 1.00 0.00 H new ATOM 0 HB3 ASN A 430 7.000 -1.886 -1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 430 8.791 -4.755 -2.617 1.00 0.00 H new ATOM 0 HD22 ASN A 430 8.119 -3.181 -3.056 1.00 0.00 H new ATOM 1047 N ALA A 431 6.011 0.158 0.526 1.00 0.00 N ATOM 1048 CA ALA A 431 5.861 1.604 0.447 1.00 0.00 C ATOM 1049 C ALA A 431 6.488 2.281 1.661 1.00 0.00 C ATOM 1050 O ALA A 431 6.933 3.426 1.584 1.00 0.00 O ATOM 1051 CB ALA A 431 4.389 1.975 0.331 1.00 0.00 C ATOM 0 H ALA A 431 5.157 -0.340 0.777 1.00 0.00 H new ATOM 0 HA ALA A 431 6.382 1.956 -0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 431 4.290 3.059 0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 431 3.970 1.524 -0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 431 3.851 1.608 1.205 1.00 0.00 H new ATOM 1057 N LEU A 432 6.522 1.564 2.782 1.00 0.00 N ATOM 1058 CA LEU A 432 7.097 2.096 4.013 1.00 0.00 C ATOM 1059 C LEU A 432 8.622 2.048 3.965 1.00 0.00 C ATOM 1060 O LEU A 432 9.297 2.886 4.561 1.00 0.00 O ATOM 1061 CB LEU A 432 6.586 1.307 5.221 1.00 0.00 C ATOM 1062 CG LEU A 432 5.510 2.013 6.047 1.00 0.00 C ATOM 1063 CD1 LEU A 432 4.268 2.259 5.207 1.00 0.00 C ATOM 1064 CD2 LEU A 432 5.168 1.195 7.283 1.00 0.00 C ATOM 0 H LEU A 432 6.158 0.614 2.862 1.00 0.00 H new ATOM 0 HA LEU A 432 6.788 3.137 4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 432 6.188 0.355 4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 432 7.431 1.080 5.871 1.00 0.00 H new ATOM 0 HG LEU A 432 5.900 2.978 6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 432 3.514 2.762 5.812 1.00 0.00 H new ATOM 0 HD12 LEU A 432 4.525 2.885 4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 432 3.873 1.306 4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 432 4.401 1.711 7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 432 4.797 0.216 6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 432 6.061 1.071 7.896 1.00 0.00 H new ATOM 1076 N ARG A 433 9.156 1.061 3.253 1.00 0.00 N ATOM 1077 CA ARG A 433 10.601 0.901 3.129 1.00 0.00 C ATOM 1078 C ARG A 433 11.244 2.160 2.557 1.00 0.00 C ATOM 1079 O ARG A 433 12.343 2.544 2.956 1.00 0.00 O ATOM 1080 CB ARG A 433 10.928 -0.301 2.241 1.00 0.00 C ATOM 1081 CG ARG A 433 10.957 -1.623 2.993 1.00 0.00 C ATOM 1082 CD ARG A 433 10.165 -2.698 2.267 1.00 0.00 C ATOM 1083 NE ARG A 433 10.538 -4.042 2.702 1.00 0.00 N ATOM 1084 CZ ARG A 433 10.094 -4.611 3.820 1.00 0.00 C ATOM 1085 NH1 ARG A 433 9.263 -3.956 4.621 1.00 0.00 N ATOM 1086 NH2 ARG A 433 10.482 -5.838 4.138 1.00 0.00 N ATOM 0 H ARG A 433 8.610 0.360 2.753 1.00 0.00 H new ATOM 0 HA ARG A 433 11.007 0.730 4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 433 10.190 -0.363 1.442 1.00 0.00 H new ATOM 0 HB3 ARG A 433 11.897 -0.140 1.768 1.00 0.00 H new ATOM 0 HG2 ARG A 433 11.990 -1.951 3.114 1.00 0.00 H new ATOM 0 HG3 ARG A 433 10.548 -1.482 3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 433 9.100 -2.543 2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 433 10.329 -2.606 1.193 1.00 0.00 H new ATOM 0 HE ARG A 433 11.177 -4.576 2.113 1.00 0.00 H new ATOM 0 HH11 ARG A 433 8.961 -3.012 4.381 1.00 0.00 H new ATOM 0 HH12 ARG A 433 8.926 -4.397 5.477 1.00 0.00 H new ATOM 0 HH21 ARG A 433 11.121 -6.346 3.526 1.00 0.00 H new ATOM 0 HH22 ARG A 433 10.142 -6.274 4.995 1.00 0.00 H new ATOM 1098 N ASP A 434 10.549 2.799 1.622 1.00 0.00 N ATOM 1099 CA ASP A 434 11.051 4.017 0.995 1.00 0.00 C ATOM 1100 C ASP A 434 10.929 5.204 1.945 1.00 0.00 C ATOM 1101 O ASP A 434 10.102 6.092 1.743 1.00 0.00 O ATOM 1102 CB ASP A 434 10.286 4.301 -0.299 1.00 0.00 C ATOM 1103 CG ASP A 434 10.304 3.122 -1.253 1.00 0.00 C ATOM 1104 OD1 ASP A 434 9.575 2.141 -0.997 1.00 0.00 O ATOM 1105 OD2 ASP A 434 11.046 3.181 -2.255 1.00 0.00 O ATOM 0 H ASP A 434 9.637 2.494 1.282 1.00 0.00 H new ATOM 0 HA ASP A 434 12.105 3.870 0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 434 9.253 4.555 -0.059 1.00 0.00 H new ATOM 0 HB3 ASP A 434 10.722 5.170 -0.792 1.00 0.00 H new ATOM 1110 N LYS A 435 11.760 5.213 2.983 1.00 0.00 N ATOM 1111 CA LYS A 435 11.747 6.289 3.970 1.00 0.00 C ATOM 1112 C LYS A 435 11.856 7.652 3.295 1.00 0.00 C ATOM 1113 O LYS A 435 11.253 8.627 3.743 1.00 0.00 O ATOM 1114 CB LYS A 435 12.891 6.107 4.969 1.00 0.00 C ATOM 1115 CG LYS A 435 12.523 6.493 6.393 1.00 0.00 C ATOM 1116 CD LYS A 435 12.063 5.286 7.195 1.00 0.00 C ATOM 1117 CE LYS A 435 11.268 5.703 8.422 1.00 0.00 C ATOM 1118 NZ LYS A 435 11.087 4.575 9.378 1.00 0.00 N ATOM 0 H LYS A 435 12.452 4.486 3.163 1.00 0.00 H new ATOM 0 HA LYS A 435 10.798 6.245 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 435 13.212 5.065 4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 435 13.742 6.707 4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 435 13.384 6.949 6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 435 11.732 7.243 6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 435 11.450 4.641 6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 435 12.929 4.701 7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 435 11.779 6.525 8.923 1.00 0.00 H new ATOM 0 HE3 LYS A 435 10.292 6.076 8.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 10.540 4.901 10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 10.577 3.800 8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 12.018 4.235 9.694 1.00 0.00 H new ATOM 1132 N LYS A 436 12.624 7.711 2.213 1.00 0.00 N ATOM 1133 CA LYS A 436 12.803 8.952 1.472 1.00 0.00 C ATOM 1134 C LYS A 436 11.497 9.371 0.818 1.00 0.00 C ATOM 1135 O LYS A 436 10.997 10.472 1.047 1.00 0.00 O ATOM 1136 CB LYS A 436 13.885 8.777 0.409 1.00 0.00 C ATOM 1137 CG LYS A 436 15.182 8.197 0.948 1.00 0.00 C ATOM 1138 CD LYS A 436 15.292 6.711 0.645 1.00 0.00 C ATOM 1139 CE LYS A 436 15.991 5.963 1.769 1.00 0.00 C ATOM 1140 NZ LYS A 436 16.792 4.817 1.258 1.00 0.00 N ATOM 0 H LYS A 436 13.132 6.914 1.830 1.00 0.00 H new ATOM 0 HA LYS A 436 13.112 9.731 2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 436 13.506 8.126 -0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 436 14.092 9.744 -0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 436 16.029 8.724 0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 436 15.233 8.355 2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 436 14.296 6.295 0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 436 15.842 6.568 -0.285 1.00 0.00 H new ATOM 0 HE2 LYS A 436 16.642 6.648 2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 436 15.249 5.599 2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 436 17.253 4.333 2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 436 16.167 4.150 0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 436 17.517 5.166 0.599 1.00 0.00 H new ATOM 1154 N MET A 437 10.949 8.477 0.006 1.00 0.00 N ATOM 1155 CA MET A 437 9.693 8.739 -0.682 1.00 0.00 C ATOM 1156 C MET A 437 8.574 8.970 0.326 1.00 0.00 C ATOM 1157 O MET A 437 7.649 9.742 0.076 1.00 0.00 O ATOM 1158 CB MET A 437 9.339 7.571 -1.605 1.00 0.00 C ATOM 1159 CG MET A 437 8.014 7.749 -2.332 1.00 0.00 C ATOM 1160 SD MET A 437 8.196 7.757 -4.127 1.00 0.00 S ATOM 1161 CE MET A 437 8.714 6.069 -4.422 1.00 0.00 C ATOM 0 H MET A 437 11.356 7.563 -0.192 1.00 0.00 H new ATOM 0 HA MET A 437 9.810 9.639 -1.286 1.00 0.00 H new ATOM 0 HB2 MET A 437 10.134 7.446 -2.341 1.00 0.00 H new ATOM 0 HB3 MET A 437 9.301 6.653 -1.018 1.00 0.00 H new ATOM 0 HG2 MET A 437 7.336 6.946 -2.044 1.00 0.00 H new ATOM 0 HG3 MET A 437 7.553 8.684 -2.014 1.00 0.00 H new ATOM 0 HE1 MET A 437 8.679 5.859 -5.491 1.00 0.00 H new ATOM 0 HE2 MET A 437 9.732 5.932 -4.058 1.00 0.00 H new ATOM 0 HE3 MET A 437 8.046 5.386 -3.897 1.00 0.00 H new ATOM 1171 N LEU A 438 8.671 8.304 1.473 1.00 0.00 N ATOM 1172 CA LEU A 438 7.670 8.449 2.522 1.00 0.00 C ATOM 1173 C LEU A 438 7.825 9.797 3.214 1.00 0.00 C ATOM 1174 O LEU A 438 6.842 10.417 3.623 1.00 0.00 O ATOM 1175 CB LEU A 438 7.789 7.315 3.542 1.00 0.00 C ATOM 1176 CG LEU A 438 6.463 6.671 3.949 1.00 0.00 C ATOM 1177 CD1 LEU A 438 5.580 7.676 4.670 1.00 0.00 C ATOM 1178 CD2 LEU A 438 5.748 6.110 2.729 1.00 0.00 C ATOM 0 H LEU A 438 9.430 7.661 1.698 1.00 0.00 H new ATOM 0 HA LEU A 438 6.682 8.399 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 438 8.440 6.543 3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 438 8.278 7.701 4.436 1.00 0.00 H new ATOM 0 HG LEU A 438 6.675 5.849 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 438 4.641 7.199 4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 438 6.090 8.031 5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 438 5.375 8.519 4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 438 4.806 5.655 3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 438 5.548 6.915 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 438 6.376 5.357 2.253 1.00 0.00 H new ATOM 1190 N ASP A 439 9.069 10.252 3.333 1.00 0.00 N ATOM 1191 CA ASP A 439 9.357 11.532 3.966 1.00 0.00 C ATOM 1192 C ASP A 439 8.748 12.671 3.158 1.00 0.00 C ATOM 1193 O ASP A 439 8.203 13.622 3.716 1.00 0.00 O ATOM 1194 CB ASP A 439 10.869 11.731 4.104 1.00 0.00 C ATOM 1195 CG ASP A 439 11.343 11.590 5.537 1.00 0.00 C ATOM 1196 OD1 ASP A 439 11.059 10.542 6.156 1.00 0.00 O ATOM 1197 OD2 ASP A 439 11.998 12.526 6.040 1.00 0.00 O ATOM 0 H ASP A 439 9.893 9.752 2.999 1.00 0.00 H new ATOM 0 HA ASP A 439 8.913 11.533 4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 439 11.387 11.003 3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 439 11.138 12.719 3.731 1.00 0.00 H new ATOM 1202 N PHE A 440 8.840 12.562 1.837 1.00 0.00 N ATOM 1203 CA PHE A 440 8.293 13.578 0.946 1.00 0.00 C ATOM 1204 C PHE A 440 6.791 13.729 1.159 1.00 0.00 C ATOM 1205 O PHE A 440 6.253 14.834 1.099 1.00 0.00 O ATOM 1206 CB PHE A 440 8.576 13.214 -0.511 1.00 0.00 C ATOM 1207 CG PHE A 440 8.919 14.397 -1.369 1.00 0.00 C ATOM 1208 CD1 PHE A 440 10.232 14.814 -1.506 1.00 0.00 C ATOM 1209 CD2 PHE A 440 7.926 15.094 -2.039 1.00 0.00 C ATOM 1210 CE1 PHE A 440 10.551 15.904 -2.294 1.00 0.00 C ATOM 1211 CE2 PHE A 440 8.237 16.184 -2.829 1.00 0.00 C ATOM 1212 CZ PHE A 440 9.551 16.590 -2.956 1.00 0.00 C ATOM 0 H PHE A 440 9.288 11.780 1.360 1.00 0.00 H new ATOM 0 HA PHE A 440 8.776 14.528 1.176 1.00 0.00 H new ATOM 0 HB2 PHE A 440 9.399 12.500 -0.545 1.00 0.00 H new ATOM 0 HB3 PHE A 440 7.702 12.714 -0.928 1.00 0.00 H new ATOM 0 HD1 PHE A 440 11.017 14.281 -0.991 1.00 0.00 H new ATOM 0 HD2 PHE A 440 6.897 14.781 -1.942 1.00 0.00 H new ATOM 0 HE1 PHE A 440 11.580 16.219 -2.392 1.00 0.00 H new ATOM 0 HE2 PHE A 440 7.454 16.718 -3.347 1.00 0.00 H new ATOM 0 HZ PHE A 440 9.796 17.443 -3.572 1.00 0.00 H new ATOM 1222 N TYR A 441 6.122 12.610 1.419 1.00 0.00 N ATOM 1223 CA TYR A 441 4.688 12.614 1.653 1.00 0.00 C ATOM 1224 C TYR A 441 4.398 12.994 3.092 1.00 0.00 C ATOM 1225 O TYR A 441 3.528 13.818 3.364 1.00 0.00 O ATOM 1226 CB TYR A 441 4.095 11.242 1.348 1.00 0.00 C ATOM 1227 CG TYR A 441 3.713 11.047 -0.101 1.00 0.00 C ATOM 1228 CD1 TYR A 441 4.648 10.624 -1.036 1.00 0.00 C ATOM 1229 CD2 TYR A 441 2.415 11.285 -0.531 1.00 0.00 C ATOM 1230 CE1 TYR A 441 4.299 10.443 -2.361 1.00 0.00 C ATOM 1231 CE2 TYR A 441 2.058 11.107 -1.853 1.00 0.00 C ATOM 1232 CZ TYR A 441 3.003 10.686 -2.764 1.00 0.00 C ATOM 1233 OH TYR A 441 2.652 10.506 -4.083 1.00 0.00 O ATOM 0 H TYR A 441 6.555 11.688 1.472 1.00 0.00 H new ATOM 0 HA TYR A 441 4.229 13.348 0.990 1.00 0.00 H new ATOM 0 HB2 TYR A 441 4.816 10.475 1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 441 3.212 11.093 1.969 1.00 0.00 H new ATOM 0 HD1 TYR A 441 5.664 10.433 -0.723 1.00 0.00 H new ATOM 0 HD2 TYR A 441 1.672 11.615 0.180 1.00 0.00 H new ATOM 0 HE1 TYR A 441 5.037 10.113 -3.077 1.00 0.00 H new ATOM 0 HE2 TYR A 441 1.044 11.297 -2.172 1.00 0.00 H new ATOM 0 HH TYR A 441 1.703 10.719 -4.201 1.00 0.00 H new ATOM 1243 N ALA A 442 5.139 12.396 4.012 1.00 0.00 N ATOM 1244 CA ALA A 442 4.966 12.685 5.426 1.00 0.00 C ATOM 1245 C ALA A 442 5.185 14.168 5.696 1.00 0.00 C ATOM 1246 O ALA A 442 4.552 14.752 6.575 1.00 0.00 O ATOM 1247 CB ALA A 442 5.911 11.840 6.266 1.00 0.00 C ATOM 0 H ALA A 442 5.864 11.709 3.805 1.00 0.00 H new ATOM 0 HA ALA A 442 3.944 12.432 5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 442 5.766 12.072 7.321 1.00 0.00 H new ATOM 0 HB2 ALA A 442 5.704 10.784 6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 442 6.941 12.058 5.985 1.00 0.00 H new ATOM 1253 N LYS A 443 6.077 14.777 4.919 1.00 0.00 N ATOM 1254 CA LYS A 443 6.366 16.199 5.059 1.00 0.00 C ATOM 1255 C LYS A 443 5.397 17.030 4.221 1.00 0.00 C ATOM 1256 O LYS A 443 5.503 18.254 4.165 1.00 0.00 O ATOM 1257 CB LYS A 443 7.808 16.495 4.643 1.00 0.00 C ATOM 1258 CG LYS A 443 8.480 17.560 5.495 1.00 0.00 C ATOM 1259 CD LYS A 443 9.663 16.997 6.268 1.00 0.00 C ATOM 1260 CE LYS A 443 9.632 17.424 7.727 1.00 0.00 C ATOM 1261 NZ LYS A 443 10.107 18.824 7.906 1.00 0.00 N ATOM 0 H LYS A 443 6.611 14.308 4.187 1.00 0.00 H new ATOM 0 HA LYS A 443 6.240 16.471 6.107 1.00 0.00 H new ATOM 0 HB2 LYS A 443 8.390 15.575 4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 443 7.819 16.815 3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 443 8.817 18.377 4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 443 7.755 17.979 6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 443 9.654 15.909 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 443 10.592 17.335 5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 443 8.616 17.334 8.110 1.00 0.00 H new ATOM 0 HE3 LYS A 443 10.256 16.751 8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 10.071 19.077 8.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 11.086 18.905 7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 9.497 19.469 7.365 1.00 0.00 H new ATOM 1275 N GLN A 444 4.452 16.354 3.572 1.00 0.00 N ATOM 1276 CA GLN A 444 3.468 17.008 2.747 1.00 0.00 C ATOM 1277 C GLN A 444 2.081 16.825 3.356 1.00 0.00 C ATOM 1278 O GLN A 444 1.312 17.779 3.472 1.00 0.00 O ATOM 1279 CB GLN A 444 3.544 16.437 1.329 1.00 0.00 C ATOM 1280 CG GLN A 444 2.232 16.472 0.581 1.00 0.00 C ATOM 1281 CD GLN A 444 1.953 17.826 -0.039 1.00 0.00 C ATOM 1282 OE1 GLN A 444 1.886 18.855 0.797 1.00 0.00 O flip ATOM 1283 NE2 GLN A 444 1.800 17.945 -1.254 1.00 0.00 N flip ATOM 0 H GLN A 444 4.356 15.339 3.610 1.00 0.00 H new ATOM 0 HA GLN A 444 3.668 18.078 2.696 1.00 0.00 H new ATOM 0 HB2 GLN A 444 4.288 16.997 0.763 1.00 0.00 H new ATOM 0 HB3 GLN A 444 3.893 15.406 1.382 1.00 0.00 H new ATOM 0 HG2 GLN A 444 2.243 15.713 -0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 444 1.422 16.214 1.263 1.00 0.00 H new ATOM 0 HE21 GLN A 444 1.860 17.125 -1.858 1.00 0.00 H new ATOM 0 HE22 GLN A 444 1.613 18.863 -1.657 1.00 0.00 H new ATOM 1292 N ARG A 445 1.769 15.595 3.750 1.00 0.00 N ATOM 1293 CA ARG A 445 0.475 15.297 4.355 1.00 0.00 C ATOM 1294 C ARG A 445 0.336 15.982 5.709 1.00 0.00 C ATOM 1295 O ARG A 445 -0.694 16.585 6.009 1.00 0.00 O ATOM 1296 CB ARG A 445 0.286 13.784 4.514 1.00 0.00 C ATOM 1297 CG ARG A 445 1.395 13.104 5.300 1.00 0.00 C ATOM 1298 CD ARG A 445 0.979 12.825 6.736 1.00 0.00 C ATOM 1299 NE ARG A 445 -0.224 11.996 6.809 1.00 0.00 N ATOM 1300 CZ ARG A 445 -1.447 12.470 7.045 1.00 0.00 C ATOM 1301 NH1 ARG A 445 -1.646 13.769 7.230 1.00 0.00 N ATOM 1302 NH2 ARG A 445 -2.480 11.639 7.091 1.00 0.00 N ATOM 0 H ARG A 445 2.391 14.791 3.662 1.00 0.00 H new ATOM 0 HA ARG A 445 -0.299 15.681 3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 445 -0.666 13.597 5.011 1.00 0.00 H new ATOM 0 HB3 ARG A 445 0.224 13.330 3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 445 1.666 12.168 4.811 1.00 0.00 H new ATOM 0 HG3 ARG A 445 2.284 13.735 5.295 1.00 0.00 H new ATOM 0 HD2 ARG A 445 1.795 12.326 7.259 1.00 0.00 H new ATOM 0 HD3 ARG A 445 0.800 13.769 7.251 1.00 0.00 H new ATOM 0 HE ARG A 445 -0.120 10.991 6.670 1.00 0.00 H new ATOM 0 HH11 ARG A 445 -0.858 14.416 7.192 1.00 0.00 H new ATOM 0 HH12 ARG A 445 -2.587 14.120 7.410 1.00 0.00 H new ATOM 0 HH21 ARG A 445 -2.337 10.640 6.946 1.00 0.00 H new ATOM 0 HH22 ARG A 445 -3.417 12.000 7.271 1.00 0.00 H new ATOM 1314 N ALA A 446 1.382 15.890 6.519 1.00 0.00 N ATOM 1315 CA ALA A 446 1.382 16.505 7.839 1.00 0.00 C ATOM 1316 C ALA A 446 1.645 18.002 7.738 1.00 0.00 C ATOM 1317 O ALA A 446 1.223 18.779 8.594 1.00 0.00 O ATOM 1318 CB ALA A 446 2.422 15.843 8.730 1.00 0.00 C ATOM 0 H ALA A 446 2.242 15.395 6.285 1.00 0.00 H new ATOM 0 HA ALA A 446 0.397 16.361 8.284 1.00 0.00 H new ATOM 0 HB1 ALA A 446 2.411 16.313 9.713 1.00 0.00 H new ATOM 0 HB2 ALA A 446 2.192 14.782 8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 446 3.410 15.959 8.284 1.00 0.00 H new