USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 617 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 212 SER OG : rot 41:sc= 0.0546 USER MOD Single : A 217 TYR OH : rot 180:sc= 0 USER MOD Single : A 219 THR OG1 : rot -69:sc= 0.533 USER MOD Single : A 232 CYS SG : rot 84:sc= 1.23 USER MOD Single : A 233 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0684) USER MOD Single : A 234 SER OG : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 217 TYR OH : rot 180:sc= 0 USER MOD Single : B 219 THR OG1 : rot -73:sc= 0.684 USER MOD Single : B 232 CYS SG : rot 180:sc= 0 USER MOD Single : B 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 234 SER OG : rot -28:sc= 0.314 USER MOD Single : C 212 SER OG : rot 180:sc= 0 USER MOD Single : C 217 TYR OH : rot 180:sc= 0 USER MOD Single : C 219 THR OG1 : rot -67:sc= 0.947 USER MOD Single : C 232 CYS SG : rot -26:sc= 0.00546 USER MOD Single : C 233 LYS NZ :NH3+ -171:sc= -0.0222 (180deg=-0.193) USER MOD ----------------------------------------------------------------- ATOM 71 N SER A 212 86.021 20.690 -0.334 1.00 0.00 N ATOM 72 CA SER A 212 85.048 19.785 0.414 1.00 0.00 C ATOM 73 C SER A 212 84.584 18.618 -0.494 1.00 0.00 C ATOM 74 O SER A 212 84.440 17.484 -0.052 1.00 0.00 O ATOM 75 CB SER A 212 83.831 20.649 0.890 1.00 0.00 C ATOM 76 OG SER A 212 84.297 21.638 1.805 1.00 0.00 O ATOM 0 HA SER A 212 85.540 19.345 1.281 1.00 0.00 H new ATOM 0 HB2 SER A 212 83.348 21.123 0.036 1.00 0.00 H new ATOM 0 HB3 SER A 212 83.083 20.016 1.368 1.00 0.00 H new ATOM 0 HG SER A 212 85.148 22.004 1.485 1.00 0.00 H new ATOM 82 N GLY A 213 84.341 18.957 -1.774 1.00 0.00 N ATOM 83 CA GLY A 213 83.865 17.979 -2.832 1.00 0.00 C ATOM 84 C GLY A 213 84.930 16.920 -3.154 1.00 0.00 C ATOM 85 O GLY A 213 84.608 15.803 -3.537 1.00 0.00 O ATOM 0 H GLY A 213 84.461 19.907 -2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 213 82.956 17.486 -2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 213 83.608 18.524 -3.741 1.00 0.00 H new ATOM 89 N ILE A 214 86.221 17.313 -2.999 1.00 0.00 N ATOM 90 CA ILE A 214 87.415 16.412 -3.277 1.00 0.00 C ATOM 91 C ILE A 214 87.453 15.224 -2.261 1.00 0.00 C ATOM 92 O ILE A 214 87.836 14.117 -2.623 1.00 0.00 O ATOM 93 CB ILE A 214 88.763 17.290 -3.299 1.00 0.00 C ATOM 94 CG1 ILE A 214 88.633 18.443 -4.442 1.00 0.00 C ATOM 95 CG2 ILE A 214 90.063 16.379 -3.558 1.00 0.00 C ATOM 96 CD1 ILE A 214 89.895 19.336 -4.597 1.00 0.00 C ATOM 0 H ILE A 214 86.482 18.247 -2.683 1.00 0.00 H new ATOM 0 HA ILE A 214 87.322 15.957 -4.263 1.00 0.00 H new ATOM 0 HB ILE A 214 88.889 17.755 -2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 214 88.420 17.967 -5.399 1.00 0.00 H new ATOM 0 HG13 ILE A 214 87.780 19.078 -4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 214 90.953 17.009 -3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 214 90.151 15.636 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 214 89.968 15.874 -4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 214 89.723 20.076 -5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 214 90.099 19.844 -3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 214 90.749 18.715 -4.867 1.00 0.00 H new ATOM 108 N ILE A 215 87.066 15.479 -0.982 1.00 0.00 N ATOM 109 CA ILE A 215 87.062 14.406 0.118 1.00 0.00 C ATOM 110 C ILE A 215 86.033 13.281 -0.223 1.00 0.00 C ATOM 111 O ILE A 215 86.260 12.121 0.068 1.00 0.00 O ATOM 112 CB ILE A 215 86.758 15.078 1.544 1.00 0.00 C ATOM 113 CG1 ILE A 215 87.737 16.341 1.811 1.00 0.00 C ATOM 114 CG2 ILE A 215 86.878 14.020 2.747 1.00 0.00 C ATOM 115 CD1 ILE A 215 89.262 16.007 1.788 1.00 0.00 C ATOM 0 H ILE A 215 86.753 16.396 -0.664 1.00 0.00 H new ATOM 0 HA ILE A 215 88.048 13.943 0.171 1.00 0.00 H new ATOM 0 HB ILE A 215 85.727 15.431 1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 215 87.536 17.104 1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 215 87.490 16.775 2.780 1.00 0.00 H new ATOM 0 HG21 ILE A 215 86.664 14.518 3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 215 86.163 13.212 2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 215 87.888 13.611 2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 215 89.836 16.914 1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 215 89.485 15.270 2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 215 89.531 15.603 0.812 1.00 0.00 H new ATOM 127 N ILE A 216 84.884 13.666 -0.822 1.00 0.00 N ATOM 128 CA ILE A 216 83.780 12.689 -1.227 1.00 0.00 C ATOM 129 C ILE A 216 84.279 11.820 -2.433 1.00 0.00 C ATOM 130 O ILE A 216 84.022 10.629 -2.518 1.00 0.00 O ATOM 131 CB ILE A 216 82.441 13.516 -1.582 1.00 0.00 C ATOM 132 CG1 ILE A 216 82.040 14.473 -0.333 1.00 0.00 C ATOM 133 CG2 ILE A 216 81.227 12.524 -1.952 1.00 0.00 C ATOM 134 CD1 ILE A 216 80.833 15.414 -0.630 1.00 0.00 C ATOM 0 H ILE A 216 84.672 14.638 -1.047 1.00 0.00 H new ATOM 0 HA ILE A 216 83.542 12.012 -0.407 1.00 0.00 H new ATOM 0 HB ILE A 216 82.637 14.137 -2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 216 81.801 13.850 0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 216 82.903 15.079 -0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 216 80.338 13.109 -2.187 1.00 0.00 H new ATOM 0 HG22 ILE A 216 81.502 11.919 -2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 216 81.019 11.872 -1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 216 80.622 16.023 0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 216 81.076 16.063 -1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 216 79.956 14.815 -0.875 1.00 0.00 H new ATOM 146 N TYR A 217 84.937 12.515 -3.380 1.00 0.00 N ATOM 147 CA TYR A 217 85.464 11.935 -4.691 1.00 0.00 C ATOM 148 C TYR A 217 86.575 10.853 -4.527 1.00 0.00 C ATOM 149 O TYR A 217 86.557 9.857 -5.242 1.00 0.00 O ATOM 150 CB TYR A 217 85.979 13.160 -5.561 1.00 0.00 C ATOM 151 CG TYR A 217 86.672 12.781 -6.942 1.00 0.00 C ATOM 152 CD1 TYR A 217 87.962 13.329 -7.313 1.00 0.00 C ATOM 153 CD2 TYR A 217 86.030 11.896 -7.865 1.00 0.00 C ATOM 154 CE1 TYR A 217 88.553 12.981 -8.548 1.00 0.00 C ATOM 155 CE2 TYR A 217 86.654 11.572 -9.095 1.00 0.00 C ATOM 156 CZ TYR A 217 87.901 12.110 -9.424 1.00 0.00 C ATOM 157 OH TYR A 217 88.494 11.780 -10.631 1.00 0.00 O ATOM 0 H TYR A 217 85.135 13.511 -3.282 1.00 0.00 H new ATOM 0 HA TYR A 217 84.651 11.398 -5.180 1.00 0.00 H new ATOM 0 HB2 TYR A 217 85.134 13.816 -5.768 1.00 0.00 H new ATOM 0 HB3 TYR A 217 86.689 13.733 -4.964 1.00 0.00 H new ATOM 0 HD1 TYR A 217 88.473 14.005 -6.643 1.00 0.00 H new ATOM 0 HD2 TYR A 217 85.066 11.473 -7.623 1.00 0.00 H new ATOM 0 HE1 TYR A 217 89.515 13.391 -8.817 1.00 0.00 H new ATOM 0 HE2 TYR A 217 86.161 10.903 -9.785 1.00 0.00 H new ATOM 0 HH TYR A 217 87.913 11.164 -11.123 1.00 0.00 H new ATOM 167 N VAL A 218 87.586 11.076 -3.640 1.00 0.00 N ATOM 168 CA VAL A 218 88.758 10.089 -3.485 1.00 0.00 C ATOM 169 C VAL A 218 88.277 8.669 -3.043 1.00 0.00 C ATOM 170 O VAL A 218 88.892 7.674 -3.411 1.00 0.00 O ATOM 171 CB VAL A 218 89.865 10.708 -2.499 1.00 0.00 C ATOM 172 CG1 VAL A 218 89.256 10.993 -1.057 1.00 0.00 C ATOM 173 CG2 VAL A 218 91.167 9.771 -2.394 1.00 0.00 C ATOM 0 H VAL A 218 87.639 11.892 -3.030 1.00 0.00 H new ATOM 0 HA VAL A 218 89.223 9.945 -4.460 1.00 0.00 H new ATOM 0 HB VAL A 218 90.180 11.658 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 218 90.029 11.411 -0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 218 88.432 11.702 -1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 218 88.889 10.061 -0.626 1.00 0.00 H new ATOM 0 HG21 VAL A 218 91.890 10.227 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 218 90.880 8.791 -2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 218 91.615 9.659 -3.381 1.00 0.00 H new ATOM 183 N THR A 219 87.194 8.600 -2.225 1.00 0.00 N ATOM 184 CA THR A 219 86.645 7.275 -1.695 1.00 0.00 C ATOM 185 C THR A 219 86.047 6.387 -2.820 1.00 0.00 C ATOM 186 O THR A 219 86.367 5.205 -2.915 1.00 0.00 O ATOM 187 CB THR A 219 85.510 7.569 -0.619 1.00 0.00 C ATOM 188 OG1 THR A 219 84.388 8.163 -1.277 1.00 0.00 O ATOM 189 CG2 THR A 219 85.984 8.572 0.492 1.00 0.00 C ATOM 0 H THR A 219 86.675 9.419 -1.909 1.00 0.00 H new ATOM 0 HA THR A 219 87.479 6.734 -1.249 1.00 0.00 H new ATOM 0 HB THR A 219 85.258 6.618 -0.150 1.00 0.00 H new ATOM 0 HG1 THR A 219 84.626 9.064 -1.581 1.00 0.00 H new ATOM 0 HG21 THR A 219 85.173 8.739 1.201 1.00 0.00 H new ATOM 0 HG22 THR A 219 86.844 8.155 1.016 1.00 0.00 H new ATOM 0 HG23 THR A 219 86.264 9.519 0.031 1.00 0.00 H new ATOM 197 N VAL A 220 85.163 6.979 -3.668 1.00 0.00 N ATOM 198 CA VAL A 220 84.495 6.221 -4.814 1.00 0.00 C ATOM 199 C VAL A 220 85.530 5.942 -5.931 1.00 0.00 C ATOM 200 O VAL A 220 85.506 4.890 -6.550 1.00 0.00 O ATOM 201 CB VAL A 220 83.208 7.028 -5.329 1.00 0.00 C ATOM 202 CG1 VAL A 220 83.599 8.490 -5.820 1.00 0.00 C ATOM 203 CG2 VAL A 220 82.421 6.226 -6.479 1.00 0.00 C ATOM 0 H VAL A 220 84.886 7.958 -3.600 1.00 0.00 H new ATOM 0 HA VAL A 220 84.136 5.252 -4.468 1.00 0.00 H new ATOM 0 HB VAL A 220 82.533 7.128 -4.479 1.00 0.00 H new ATOM 0 HG11 VAL A 220 82.704 9.010 -6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 220 84.047 9.043 -4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 220 84.314 8.419 -6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 220 81.556 6.806 -6.801 1.00 0.00 H new ATOM 0 HG22 VAL A 220 83.085 6.063 -7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 220 82.088 5.264 -6.089 1.00 0.00 H new ATOM 213 N ALA A 221 86.450 6.919 -6.175 1.00 0.00 N ATOM 214 CA ALA A 221 87.525 6.788 -7.250 1.00 0.00 C ATOM 215 C ALA A 221 88.413 5.528 -7.012 1.00 0.00 C ATOM 216 O ALA A 221 88.860 4.899 -7.960 1.00 0.00 O ATOM 217 CB ALA A 221 88.396 8.097 -7.269 1.00 0.00 C ATOM 0 H ALA A 221 86.485 7.799 -5.661 1.00 0.00 H new ATOM 0 HA ALA A 221 87.044 6.661 -8.220 1.00 0.00 H new ATOM 0 HB1 ALA A 221 89.166 8.010 -8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 221 87.760 8.954 -7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 221 88.866 8.235 -6.295 1.00 0.00 H new ATOM 223 N ALA A 222 88.661 5.193 -5.712 1.00 0.00 N ATOM 224 CA ALA A 222 89.519 4.000 -5.313 1.00 0.00 C ATOM 225 C ALA A 222 88.904 2.653 -5.811 1.00 0.00 C ATOM 226 O ALA A 222 89.611 1.786 -6.313 1.00 0.00 O ATOM 227 CB ALA A 222 89.672 4.007 -3.746 1.00 0.00 C ATOM 0 H ALA A 222 88.290 5.716 -4.919 1.00 0.00 H new ATOM 0 HA ALA A 222 90.498 4.085 -5.785 1.00 0.00 H new ATOM 0 HB1 ALA A 222 90.284 3.160 -3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 222 90.150 4.934 -3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 222 88.688 3.932 -3.284 1.00 0.00 H new ATOM 233 N VAL A 223 87.567 2.506 -5.638 1.00 0.00 N ATOM 234 CA VAL A 223 86.795 1.253 -6.050 1.00 0.00 C ATOM 235 C VAL A 223 86.731 1.159 -7.601 1.00 0.00 C ATOM 236 O VAL A 223 86.870 0.089 -8.176 1.00 0.00 O ATOM 237 CB VAL A 223 85.334 1.288 -5.382 1.00 0.00 C ATOM 238 CG1 VAL A 223 84.489 -0.037 -5.719 1.00 0.00 C ATOM 239 CG2 VAL A 223 85.457 1.470 -3.789 1.00 0.00 C ATOM 0 H VAL A 223 86.979 3.226 -5.218 1.00 0.00 H new ATOM 0 HA VAL A 223 87.305 0.358 -5.693 1.00 0.00 H new ATOM 0 HB VAL A 223 84.800 2.139 -5.806 1.00 0.00 H new ATOM 0 HG11 VAL A 223 83.508 0.028 -5.248 1.00 0.00 H new ATOM 0 HG12 VAL A 223 84.368 -0.127 -6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 223 85.017 -0.912 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 223 84.461 1.492 -3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 223 86.021 0.637 -3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 223 85.973 2.405 -3.568 1.00 0.00 H new ATOM 249 N VAL A 224 86.498 2.319 -8.255 1.00 0.00 N ATOM 250 CA VAL A 224 86.400 2.432 -9.771 1.00 0.00 C ATOM 251 C VAL A 224 87.785 2.146 -10.420 1.00 0.00 C ATOM 252 O VAL A 224 87.848 1.640 -11.531 1.00 0.00 O ATOM 253 CB VAL A 224 85.822 3.885 -10.127 1.00 0.00 C ATOM 254 CG1 VAL A 224 85.852 4.210 -11.697 1.00 0.00 C ATOM 255 CG2 VAL A 224 84.317 4.032 -9.571 1.00 0.00 C ATOM 0 H VAL A 224 86.370 3.209 -7.774 1.00 0.00 H new ATOM 0 HA VAL A 224 85.717 1.687 -10.180 1.00 0.00 H new ATOM 0 HB VAL A 224 86.477 4.608 -9.641 1.00 0.00 H new ATOM 0 HG11 VAL A 224 85.448 5.207 -11.870 1.00 0.00 H new ATOM 0 HG12 VAL A 224 86.880 4.168 -12.058 1.00 0.00 H new ATOM 0 HG13 VAL A 224 85.249 3.476 -12.232 1.00 0.00 H new ATOM 0 HG21 VAL A 224 83.933 5.022 -9.818 1.00 0.00 H new ATOM 0 HG22 VAL A 224 83.684 3.273 -10.030 1.00 0.00 H new ATOM 0 HG23 VAL A 224 84.314 3.901 -8.489 1.00 0.00 H new ATOM 265 N LEU A 225 88.890 2.520 -9.720 1.00 0.00 N ATOM 266 CA LEU A 225 90.307 2.338 -10.263 1.00 0.00 C ATOM 267 C LEU A 225 90.684 0.831 -10.416 1.00 0.00 C ATOM 268 O LEU A 225 91.230 0.432 -11.440 1.00 0.00 O ATOM 269 CB LEU A 225 91.305 3.086 -9.275 1.00 0.00 C ATOM 270 CG LEU A 225 92.878 2.986 -9.663 1.00 0.00 C ATOM 271 CD1 LEU A 225 93.176 3.556 -11.111 1.00 0.00 C ATOM 272 CD2 LEU A 225 93.773 3.729 -8.567 1.00 0.00 C ATOM 0 H LEU A 225 88.852 2.944 -8.793 1.00 0.00 H new ATOM 0 HA LEU A 225 90.373 2.766 -11.263 1.00 0.00 H new ATOM 0 HB2 LEU A 225 91.025 4.139 -9.232 1.00 0.00 H new ATOM 0 HB3 LEU A 225 91.169 2.679 -8.273 1.00 0.00 H new ATOM 0 HG LEU A 225 93.142 1.928 -9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 225 94.241 3.467 -11.325 1.00 0.00 H new ATOM 0 HD12 LEU A 225 92.609 2.989 -11.849 1.00 0.00 H new ATOM 0 HD13 LEU A 225 92.883 4.605 -11.157 1.00 0.00 H new ATOM 0 HD21 LEU A 225 94.825 3.652 -8.843 1.00 0.00 H new ATOM 0 HD22 LEU A 225 93.487 4.780 -8.515 1.00 0.00 H new ATOM 0 HD23 LEU A 225 93.618 3.263 -7.594 1.00 0.00 H new ATOM 284 N ILE A 226 90.425 0.016 -9.357 1.00 0.00 N ATOM 285 CA ILE A 226 90.793 -1.471 -9.351 1.00 0.00 C ATOM 286 C ILE A 226 89.905 -2.346 -10.304 1.00 0.00 C ATOM 287 O ILE A 226 90.438 -3.208 -10.968 1.00 0.00 O ATOM 288 CB ILE A 226 90.824 -2.024 -7.844 1.00 0.00 C ATOM 289 CG1 ILE A 226 91.310 -3.575 -7.780 1.00 0.00 C ATOM 290 CG2 ILE A 226 89.412 -1.833 -7.147 1.00 0.00 C ATOM 291 CD1 ILE A 226 91.564 -4.083 -6.334 1.00 0.00 C ATOM 0 H ILE A 226 89.972 0.334 -8.500 1.00 0.00 H new ATOM 0 HA ILE A 226 91.796 -1.559 -9.768 1.00 0.00 H new ATOM 0 HB ILE A 226 91.558 -1.437 -7.292 1.00 0.00 H new ATOM 0 HG12 ILE A 226 90.555 -4.204 -8.251 1.00 0.00 H new ATOM 0 HG13 ILE A 226 92.225 -3.686 -8.362 1.00 0.00 H new ATOM 0 HG21 ILE A 226 89.455 -2.214 -6.127 1.00 0.00 H new ATOM 0 HG22 ILE A 226 89.156 -0.774 -7.128 1.00 0.00 H new ATOM 0 HG23 ILE A 226 88.653 -2.380 -7.707 1.00 0.00 H new ATOM 0 HD11 ILE A 226 91.885 -5.124 -6.365 1.00 0.00 H new ATOM 0 HD12 ILE A 226 92.341 -3.477 -5.867 1.00 0.00 H new ATOM 0 HD13 ILE A 226 90.645 -4.004 -5.754 1.00 0.00 H new ATOM 303 N VAL A 227 88.547 -2.176 -10.337 1.00 0.00 N ATOM 304 CA VAL A 227 87.638 -3.056 -11.232 1.00 0.00 C ATOM 305 C VAL A 227 87.879 -2.803 -12.755 1.00 0.00 C ATOM 306 O VAL A 227 87.752 -3.711 -13.568 1.00 0.00 O ATOM 307 CB VAL A 227 86.084 -2.865 -10.838 1.00 0.00 C ATOM 308 CG1 VAL A 227 85.842 -3.232 -9.295 1.00 0.00 C ATOM 309 CG2 VAL A 227 85.601 -1.368 -11.127 1.00 0.00 C ATOM 0 H VAL A 227 88.047 -1.476 -9.789 1.00 0.00 H new ATOM 0 HA VAL A 227 87.910 -4.095 -11.044 1.00 0.00 H new ATOM 0 HB VAL A 227 85.497 -3.544 -11.457 1.00 0.00 H new ATOM 0 HG11 VAL A 227 84.789 -3.097 -9.050 1.00 0.00 H new ATOM 0 HG12 VAL A 227 86.125 -4.270 -9.119 1.00 0.00 H new ATOM 0 HG13 VAL A 227 86.448 -2.579 -8.666 1.00 0.00 H new ATOM 0 HG21 VAL A 227 84.551 -1.265 -10.853 1.00 0.00 H new ATOM 0 HG22 VAL A 227 86.199 -0.673 -10.538 1.00 0.00 H new ATOM 0 HG23 VAL A 227 85.723 -1.144 -12.187 1.00 0.00 H new ATOM 319 N ALA A 228 88.128 -1.524 -13.110 1.00 0.00 N ATOM 320 CA ALA A 228 88.281 -1.066 -14.556 1.00 0.00 C ATOM 321 C ALA A 228 89.434 -1.773 -15.344 1.00 0.00 C ATOM 322 O ALA A 228 89.318 -1.928 -16.555 1.00 0.00 O ATOM 323 CB ALA A 228 88.488 0.496 -14.554 1.00 0.00 C ATOM 0 H ALA A 228 88.232 -0.770 -12.431 1.00 0.00 H new ATOM 0 HA ALA A 228 87.371 -1.350 -15.085 1.00 0.00 H new ATOM 0 HB1 ALA A 228 88.600 0.849 -15.579 1.00 0.00 H new ATOM 0 HB2 ALA A 228 87.623 0.977 -14.097 1.00 0.00 H new ATOM 0 HB3 ALA A 228 89.384 0.744 -13.985 1.00 0.00 H new ATOM 329 N VAL A 229 90.553 -2.168 -14.670 1.00 0.00 N ATOM 330 CA VAL A 229 91.743 -2.834 -15.389 1.00 0.00 C ATOM 331 C VAL A 229 91.332 -4.213 -15.991 1.00 0.00 C ATOM 332 O VAL A 229 91.818 -4.598 -17.049 1.00 0.00 O ATOM 333 CB VAL A 229 93.042 -2.940 -14.436 1.00 0.00 C ATOM 334 CG1 VAL A 229 93.335 -1.519 -13.758 1.00 0.00 C ATOM 335 CG2 VAL A 229 92.893 -4.073 -13.311 1.00 0.00 C ATOM 0 H VAL A 229 90.680 -2.054 -13.664 1.00 0.00 H new ATOM 0 HA VAL A 229 92.030 -2.191 -16.221 1.00 0.00 H new ATOM 0 HB VAL A 229 93.883 -3.230 -15.065 1.00 0.00 H new ATOM 0 HG11 VAL A 229 94.212 -1.596 -13.116 1.00 0.00 H new ATOM 0 HG12 VAL A 229 93.518 -0.776 -14.534 1.00 0.00 H new ATOM 0 HG13 VAL A 229 92.474 -1.216 -13.161 1.00 0.00 H new ATOM 0 HG21 VAL A 229 93.795 -4.100 -12.700 1.00 0.00 H new ATOM 0 HG22 VAL A 229 92.033 -3.848 -12.680 1.00 0.00 H new ATOM 0 HG23 VAL A 229 92.749 -5.043 -13.788 1.00 0.00 H new ATOM 345 N PHE A 230 90.425 -4.952 -15.277 1.00 0.00 N ATOM 346 CA PHE A 230 89.930 -6.321 -15.744 1.00 0.00 C ATOM 347 C PHE A 230 89.058 -6.169 -17.030 1.00 0.00 C ATOM 348 O PHE A 230 89.104 -7.005 -17.923 1.00 0.00 O ATOM 349 CB PHE A 230 89.113 -7.002 -14.574 1.00 0.00 C ATOM 350 CG PHE A 230 90.057 -7.258 -13.320 1.00 0.00 C ATOM 351 CD1 PHE A 230 90.739 -8.510 -13.148 1.00 0.00 C ATOM 352 CD2 PHE A 230 90.262 -6.236 -12.338 1.00 0.00 C ATOM 353 CE1 PHE A 230 91.584 -8.721 -12.032 1.00 0.00 C ATOM 354 CE2 PHE A 230 91.108 -6.462 -11.226 1.00 0.00 C ATOM 355 CZ PHE A 230 91.766 -7.701 -11.074 1.00 0.00 C ATOM 0 H PHE A 230 90.020 -4.644 -14.393 1.00 0.00 H new ATOM 0 HA PHE A 230 90.779 -6.956 -15.995 1.00 0.00 H new ATOM 0 HB2 PHE A 230 88.278 -6.364 -14.285 1.00 0.00 H new ATOM 0 HB3 PHE A 230 88.689 -7.946 -14.918 1.00 0.00 H new ATOM 0 HD1 PHE A 230 90.606 -9.297 -13.876 1.00 0.00 H new ATOM 0 HD2 PHE A 230 89.766 -5.283 -12.447 1.00 0.00 H new ATOM 0 HE1 PHE A 230 92.092 -9.667 -11.913 1.00 0.00 H new ATOM 0 HE2 PHE A 230 91.250 -5.683 -10.491 1.00 0.00 H new ATOM 0 HZ PHE A 230 92.410 -7.869 -10.223 1.00 0.00 H new ATOM 365 N VAL A 231 88.258 -5.074 -17.078 1.00 0.00 N ATOM 366 CA VAL A 231 87.329 -4.753 -18.246 1.00 0.00 C ATOM 367 C VAL A 231 88.172 -4.394 -19.508 1.00 0.00 C ATOM 368 O VAL A 231 87.837 -4.786 -20.617 1.00 0.00 O ATOM 369 CB VAL A 231 86.338 -3.562 -17.816 1.00 0.00 C ATOM 370 CG1 VAL A 231 85.304 -3.189 -18.989 1.00 0.00 C ATOM 371 CG2 VAL A 231 85.535 -3.966 -16.484 1.00 0.00 C ATOM 0 H VAL A 231 88.221 -4.382 -16.329 1.00 0.00 H new ATOM 0 HA VAL A 231 86.721 -5.621 -18.501 1.00 0.00 H new ATOM 0 HB VAL A 231 86.949 -2.680 -17.621 1.00 0.00 H new ATOM 0 HG11 VAL A 231 84.653 -2.380 -18.657 1.00 0.00 H new ATOM 0 HG12 VAL A 231 85.856 -2.871 -19.873 1.00 0.00 H new ATOM 0 HG13 VAL A 231 84.700 -4.063 -19.234 1.00 0.00 H new ATOM 0 HG21 VAL A 231 84.867 -3.153 -16.201 1.00 0.00 H new ATOM 0 HG22 VAL A 231 84.951 -4.867 -16.670 1.00 0.00 H new ATOM 0 HG23 VAL A 231 86.242 -4.152 -15.675 1.00 0.00 H new ATOM 381 N CYS A 232 89.268 -3.622 -19.297 1.00 0.00 N ATOM 382 CA CYS A 232 90.201 -3.168 -20.414 1.00 0.00 C ATOM 383 C CYS A 232 90.955 -4.390 -21.026 1.00 0.00 C ATOM 384 O CYS A 232 91.106 -4.498 -22.225 1.00 0.00 O ATOM 385 CB CYS A 232 91.211 -2.115 -19.822 1.00 0.00 C ATOM 386 SG CYS A 232 90.300 -0.696 -19.145 1.00 0.00 S ATOM 0 H CYS A 232 89.545 -3.290 -18.373 1.00 0.00 H new ATOM 0 HA CYS A 232 89.627 -2.706 -21.217 1.00 0.00 H new ATOM 0 HB2 CYS A 232 91.815 -2.577 -19.041 1.00 0.00 H new ATOM 0 HB3 CYS A 232 91.898 -1.780 -20.599 1.00 0.00 H new ATOM 0 HG CYS A 232 89.906 -0.970 -17.937 1.00 0.00 H new ATOM 392 N LYS A 233 91.413 -5.298 -20.140 1.00 0.00 N ATOM 393 CA LYS A 233 92.184 -6.563 -20.518 1.00 0.00 C ATOM 394 C LYS A 233 91.395 -7.443 -21.522 1.00 0.00 C ATOM 395 O LYS A 233 91.991 -8.135 -22.336 1.00 0.00 O ATOM 396 CB LYS A 233 92.510 -7.325 -19.164 1.00 0.00 C ATOM 397 CG LYS A 233 93.433 -8.619 -19.352 1.00 0.00 C ATOM 398 CD LYS A 233 93.814 -9.285 -17.943 1.00 0.00 C ATOM 399 CE LYS A 233 94.696 -10.588 -18.115 1.00 0.00 C ATOM 400 NZ LYS A 233 93.885 -11.645 -18.786 1.00 0.00 N ATOM 0 H LYS A 233 91.273 -5.201 -19.134 1.00 0.00 H new ATOM 0 HA LYS A 233 93.109 -6.311 -21.037 1.00 0.00 H new ATOM 0 HB2 LYS A 233 93.004 -6.635 -18.480 1.00 0.00 H new ATOM 0 HB3 LYS A 233 91.574 -7.624 -18.693 1.00 0.00 H new ATOM 0 HG2 LYS A 233 92.913 -9.350 -19.971 1.00 0.00 H new ATOM 0 HG3 LYS A 233 94.344 -8.342 -19.882 1.00 0.00 H new ATOM 0 HD2 LYS A 233 94.355 -8.560 -17.335 1.00 0.00 H new ATOM 0 HD3 LYS A 233 92.901 -9.535 -17.403 1.00 0.00 H new ATOM 0 HE2 LYS A 233 95.584 -10.365 -18.706 1.00 0.00 H new ATOM 0 HE3 LYS A 233 95.040 -10.940 -17.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 233 94.418 -12.538 -18.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 233 92.993 -11.779 -18.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 233 93.678 -11.356 -19.763 1.00 0.00 H new ATOM 414 N SER A 234 90.045 -7.380 -21.459 1.00 0.00 N ATOM 415 CA SER A 234 89.136 -8.175 -22.385 1.00 0.00 C ATOM 416 C SER A 234 89.312 -7.742 -23.869 1.00 0.00 C ATOM 417 O SER A 234 88.996 -8.503 -24.771 1.00 0.00 O ATOM 418 CB SER A 234 87.655 -7.986 -21.934 1.00 0.00 C ATOM 419 OG SER A 234 86.811 -8.805 -22.735 1.00 0.00 O ATOM 0 H SER A 234 89.542 -6.798 -20.789 1.00 0.00 H new ATOM 0 HA SER A 234 89.409 -9.228 -22.321 1.00 0.00 H new ATOM 0 HB2 SER A 234 87.546 -8.251 -20.882 1.00 0.00 H new ATOM 0 HB3 SER A 234 87.364 -6.940 -22.031 1.00 0.00 H new ATOM 0 HG SER A 234 85.880 -8.690 -22.453 1.00 0.00 H new ATOM 425 N LEU A 235 89.815 -6.491 -24.086 1.00 0.00 N ATOM 426 CA LEU A 235 90.044 -5.894 -25.480 1.00 0.00 C ATOM 427 C LEU A 235 91.489 -6.222 -25.969 1.00 0.00 C ATOM 428 O LEU A 235 91.756 -6.122 -27.159 1.00 0.00 O ATOM 429 CB LEU A 235 89.803 -4.315 -25.455 1.00 0.00 C ATOM 430 CG LEU A 235 88.239 -3.888 -25.380 1.00 0.00 C ATOM 431 CD1 LEU A 235 87.499 -4.524 -24.132 1.00 0.00 C ATOM 432 CD2 LEU A 235 88.086 -2.298 -25.385 1.00 0.00 C ATOM 0 H LEU A 235 90.076 -5.861 -23.328 1.00 0.00 H new ATOM 0 HA LEU A 235 89.331 -6.337 -26.176 1.00 0.00 H new ATOM 0 HB2 LEU A 235 90.326 -3.891 -24.598 1.00 0.00 H new ATOM 0 HB3 LEU A 235 90.247 -3.876 -26.348 1.00 0.00 H new ATOM 0 HG LEU A 235 87.755 -4.287 -26.271 1.00 0.00 H new ATOM 0 HD11 LEU A 235 86.456 -4.208 -24.127 1.00 0.00 H new ATOM 0 HD12 LEU A 235 87.548 -5.611 -24.195 1.00 0.00 H new ATOM 0 HD13 LEU A 235 87.983 -4.191 -23.214 1.00 0.00 H new ATOM 0 HD21 LEU A 235 87.030 -2.034 -25.334 1.00 0.00 H new ATOM 0 HD22 LEU A 235 88.606 -1.880 -24.523 1.00 0.00 H new ATOM 0 HD23 LEU A 235 88.517 -1.894 -26.301 1.00 0.00 H new ATOM 444 N LEU A 236 92.417 -6.602 -25.036 1.00 0.00 N ATOM 445 CA LEU A 236 93.873 -6.943 -25.405 1.00 0.00 C ATOM 446 C LEU A 236 93.924 -8.396 -25.959 1.00 0.00 C ATOM 447 O LEU A 236 94.783 -8.708 -26.775 1.00 0.00 O ATOM 448 CB LEU A 236 94.836 -6.771 -24.127 1.00 0.00 C ATOM 449 CG LEU A 236 95.379 -5.256 -23.913 1.00 0.00 C ATOM 450 CD1 LEU A 236 94.197 -4.220 -23.725 1.00 0.00 C ATOM 451 CD2 LEU A 236 96.395 -5.185 -22.680 1.00 0.00 C ATOM 0 H LEU A 236 92.212 -6.685 -24.040 1.00 0.00 H new ATOM 0 HA LEU A 236 94.229 -6.256 -26.173 1.00 0.00 H new ATOM 0 HB2 LEU A 236 94.296 -7.083 -23.233 1.00 0.00 H new ATOM 0 HB3 LEU A 236 95.689 -7.441 -24.234 1.00 0.00 H new ATOM 0 HG LEU A 236 95.913 -4.975 -24.821 1.00 0.00 H new ATOM 0 HD11 LEU A 236 94.608 -3.220 -23.585 1.00 0.00 H new ATOM 0 HD12 LEU A 236 93.560 -4.230 -24.610 1.00 0.00 H new ATOM 0 HD13 LEU A 236 93.607 -4.495 -22.851 1.00 0.00 H new ATOM 0 HD21 LEU A 236 96.746 -4.160 -22.556 1.00 0.00 H new ATOM 0 HD22 LEU A 236 95.887 -5.507 -21.771 1.00 0.00 H new ATOM 0 HD23 LEU A 236 97.246 -5.839 -22.872 1.00 0.00 H new ATOM 652 N SER B 212 74.221 7.691 6.614 1.00 0.00 N ATOM 653 CA SER B 212 75.419 7.935 7.528 1.00 0.00 C ATOM 654 C SER B 212 76.387 6.724 7.552 1.00 0.00 C ATOM 655 O SER B 212 77.594 6.883 7.505 1.00 0.00 O ATOM 656 CB SER B 212 74.916 8.256 8.968 1.00 0.00 C ATOM 657 OG SER B 212 76.029 8.579 9.795 1.00 0.00 O ATOM 0 HA SER B 212 75.977 8.784 7.134 1.00 0.00 H new ATOM 0 HB2 SER B 212 74.213 9.089 8.943 1.00 0.00 H new ATOM 0 HB3 SER B 212 74.380 7.400 9.378 1.00 0.00 H new ATOM 0 HG SER B 212 75.715 8.783 10.701 1.00 0.00 H new ATOM 663 N GLY B 213 75.803 5.516 7.631 1.00 0.00 N ATOM 664 CA GLY B 213 76.581 4.212 7.668 1.00 0.00 C ATOM 665 C GLY B 213 77.197 3.889 6.299 1.00 0.00 C ATOM 666 O GLY B 213 78.283 3.337 6.211 1.00 0.00 O ATOM 0 H GLY B 213 74.792 5.389 7.672 1.00 0.00 H new ATOM 0 HA2 GLY B 213 77.370 4.278 8.417 1.00 0.00 H new ATOM 0 HA3 GLY B 213 75.920 3.400 7.972 1.00 0.00 H new ATOM 670 N ILE B 214 76.448 4.236 5.224 1.00 0.00 N ATOM 671 CA ILE B 214 76.860 3.982 3.779 1.00 0.00 C ATOM 672 C ILE B 214 78.171 4.760 3.417 1.00 0.00 C ATOM 673 O ILE B 214 79.075 4.194 2.812 1.00 0.00 O ATOM 674 CB ILE B 214 75.626 4.364 2.828 1.00 0.00 C ATOM 675 CG1 ILE B 214 74.284 3.553 3.265 1.00 0.00 C ATOM 676 CG2 ILE B 214 75.945 4.112 1.278 1.00 0.00 C ATOM 677 CD1 ILE B 214 74.400 1.994 3.185 1.00 0.00 C ATOM 0 H ILE B 214 75.543 4.698 5.309 1.00 0.00 H new ATOM 0 HA ILE B 214 77.097 2.928 3.634 1.00 0.00 H new ATOM 0 HB ILE B 214 75.454 5.433 2.955 1.00 0.00 H new ATOM 0 HG12 ILE B 214 74.025 3.831 4.287 1.00 0.00 H new ATOM 0 HG13 ILE B 214 73.460 3.874 2.629 1.00 0.00 H new ATOM 0 HG21 ILE B 214 75.077 4.387 0.679 1.00 0.00 H new ATOM 0 HG22 ILE B 214 76.799 4.719 0.979 1.00 0.00 H new ATOM 0 HG23 ILE B 214 76.176 3.058 1.121 1.00 0.00 H new ATOM 0 HD11 ILE B 214 73.458 1.543 3.495 1.00 0.00 H new ATOM 0 HD12 ILE B 214 74.624 1.698 2.160 1.00 0.00 H new ATOM 0 HD13 ILE B 214 75.199 1.654 3.844 1.00 0.00 H new ATOM 689 N ILE B 215 78.256 6.067 3.794 1.00 0.00 N ATOM 690 CA ILE B 215 79.491 6.937 3.492 1.00 0.00 C ATOM 691 C ILE B 215 80.745 6.362 4.228 1.00 0.00 C ATOM 692 O ILE B 215 81.847 6.402 3.702 1.00 0.00 O ATOM 693 CB ILE B 215 79.180 8.468 3.877 1.00 0.00 C ATOM 694 CG1 ILE B 215 77.937 9.018 2.987 1.00 0.00 C ATOM 695 CG2 ILE B 215 80.467 9.413 3.675 1.00 0.00 C ATOM 696 CD1 ILE B 215 77.410 10.409 3.449 1.00 0.00 C ATOM 0 H ILE B 215 77.516 6.557 4.297 1.00 0.00 H new ATOM 0 HA ILE B 215 79.718 6.915 2.426 1.00 0.00 H new ATOM 0 HB ILE B 215 78.916 8.498 4.934 1.00 0.00 H new ATOM 0 HG12 ILE B 215 78.248 9.084 1.944 1.00 0.00 H new ATOM 0 HG13 ILE B 215 77.121 8.296 3.031 1.00 0.00 H new ATOM 0 HG21 ILE B 215 80.212 10.437 3.946 1.00 0.00 H new ATOM 0 HG22 ILE B 215 81.280 9.061 4.310 1.00 0.00 H new ATOM 0 HG23 ILE B 215 80.781 9.382 2.632 1.00 0.00 H new ATOM 0 HD11 ILE B 215 76.581 10.714 2.811 1.00 0.00 H new ATOM 0 HD12 ILE B 215 77.068 10.344 4.482 1.00 0.00 H new ATOM 0 HD13 ILE B 215 78.212 11.144 3.378 1.00 0.00 H new ATOM 708 N ILE B 216 80.549 5.838 5.457 1.00 0.00 N ATOM 709 CA ILE B 216 81.668 5.217 6.294 1.00 0.00 C ATOM 710 C ILE B 216 82.115 3.863 5.640 1.00 0.00 C ATOM 711 O ILE B 216 83.287 3.511 5.655 1.00 0.00 O ATOM 712 CB ILE B 216 81.137 5.047 7.800 1.00 0.00 C ATOM 713 CG1 ILE B 216 80.758 6.502 8.418 1.00 0.00 C ATOM 714 CG2 ILE B 216 82.216 4.311 8.739 1.00 0.00 C ATOM 715 CD1 ILE B 216 79.984 6.416 9.769 1.00 0.00 C ATOM 0 H ILE B 216 79.638 5.819 5.915 1.00 0.00 H new ATOM 0 HA ILE B 216 82.551 5.856 6.324 1.00 0.00 H new ATOM 0 HB ILE B 216 80.247 4.418 7.770 1.00 0.00 H new ATOM 0 HG12 ILE B 216 81.673 7.075 8.567 1.00 0.00 H new ATOM 0 HG13 ILE B 216 80.153 7.050 7.695 1.00 0.00 H new ATOM 0 HG21 ILE B 216 81.816 4.217 9.748 1.00 0.00 H new ATOM 0 HG22 ILE B 216 82.430 3.320 8.340 1.00 0.00 H new ATOM 0 HG23 ILE B 216 83.135 4.897 8.766 1.00 0.00 H new ATOM 0 HD11 ILE B 216 79.762 7.422 10.126 1.00 0.00 H new ATOM 0 HD12 ILE B 216 79.052 5.870 9.620 1.00 0.00 H new ATOM 0 HD13 ILE B 216 80.596 5.896 10.506 1.00 0.00 H new ATOM 727 N TYR B 217 81.116 3.101 5.138 1.00 0.00 N ATOM 728 CA TYR B 217 81.316 1.712 4.527 1.00 0.00 C ATOM 729 C TYR B 217 82.124 1.699 3.187 1.00 0.00 C ATOM 730 O TYR B 217 82.955 0.815 2.996 1.00 0.00 O ATOM 731 CB TYR B 217 79.886 1.055 4.325 1.00 0.00 C ATOM 732 CG TYR B 217 79.979 -0.464 3.851 1.00 0.00 C ATOM 733 CD1 TYR B 217 80.105 -0.788 2.460 1.00 0.00 C ATOM 734 CD2 TYR B 217 79.957 -1.541 4.799 1.00 0.00 C ATOM 735 CE1 TYR B 217 80.201 -2.138 2.049 1.00 0.00 C ATOM 736 CE2 TYR B 217 80.053 -2.881 4.357 1.00 0.00 C ATOM 737 CZ TYR B 217 80.173 -3.170 2.993 1.00 0.00 C ATOM 738 OH TYR B 217 80.267 -4.486 2.576 1.00 0.00 O ATOM 0 H TYR B 217 80.143 3.406 5.132 1.00 0.00 H new ATOM 0 HA TYR B 217 81.928 1.136 5.221 1.00 0.00 H new ATOM 0 HB2 TYR B 217 79.329 1.108 5.260 1.00 0.00 H new ATOM 0 HB3 TYR B 217 79.326 1.630 3.588 1.00 0.00 H new ATOM 0 HD1 TYR B 217 80.127 0.002 1.723 1.00 0.00 H new ATOM 0 HD2 TYR B 217 79.867 -1.328 5.854 1.00 0.00 H new ATOM 0 HE1 TYR B 217 80.297 -2.374 0.999 1.00 0.00 H new ATOM 0 HE2 TYR B 217 80.034 -3.686 5.077 1.00 0.00 H new ATOM 0 HH TYR B 217 80.233 -5.079 3.355 1.00 0.00 H new ATOM 748 N VAL B 218 81.834 2.633 2.228 1.00 0.00 N ATOM 749 CA VAL B 218 82.537 2.627 0.853 1.00 0.00 C ATOM 750 C VAL B 218 84.092 2.733 0.996 1.00 0.00 C ATOM 751 O VAL B 218 84.825 2.254 0.141 1.00 0.00 O ATOM 752 CB VAL B 218 81.944 3.779 -0.104 1.00 0.00 C ATOM 753 CG1 VAL B 218 80.413 3.471 -0.494 1.00 0.00 C ATOM 754 CG2 VAL B 218 82.057 5.202 0.604 1.00 0.00 C ATOM 0 H VAL B 218 81.151 3.381 2.349 1.00 0.00 H new ATOM 0 HA VAL B 218 82.329 1.667 0.380 1.00 0.00 H new ATOM 0 HB VAL B 218 82.534 3.795 -1.021 1.00 0.00 H new ATOM 0 HG11 VAL B 218 80.036 4.263 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL B 218 80.356 2.517 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL B 218 79.809 3.424 0.412 1.00 0.00 H new ATOM 0 HG21 VAL B 218 81.652 5.970 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL B 218 81.493 5.190 1.537 1.00 0.00 H new ATOM 0 HG23 VAL B 218 83.104 5.421 0.816 1.00 0.00 H new ATOM 764 N THR B 219 84.561 3.374 2.096 1.00 0.00 N ATOM 765 CA THR B 219 86.051 3.562 2.388 1.00 0.00 C ATOM 766 C THR B 219 86.693 2.212 2.800 1.00 0.00 C ATOM 767 O THR B 219 87.737 1.821 2.293 1.00 0.00 O ATOM 768 CB THR B 219 86.248 4.621 3.562 1.00 0.00 C ATOM 769 OG1 THR B 219 85.834 4.041 4.797 1.00 0.00 O ATOM 770 CG2 THR B 219 85.392 5.921 3.349 1.00 0.00 C ATOM 0 H THR B 219 83.951 3.777 2.808 1.00 0.00 H new ATOM 0 HA THR B 219 86.537 3.928 1.484 1.00 0.00 H new ATOM 0 HB THR B 219 87.304 4.890 3.569 1.00 0.00 H new ATOM 0 HG1 THR B 219 84.856 3.978 4.818 1.00 0.00 H new ATOM 0 HG21 THR B 219 85.563 6.609 4.177 1.00 0.00 H new ATOM 0 HG22 THR B 219 85.683 6.399 2.414 1.00 0.00 H new ATOM 0 HG23 THR B 219 84.335 5.658 3.308 1.00 0.00 H new ATOM 778 N VAL B 220 86.019 1.517 3.750 1.00 0.00 N ATOM 779 CA VAL B 220 86.479 0.169 4.299 1.00 0.00 C ATOM 780 C VAL B 220 86.337 -0.912 3.192 1.00 0.00 C ATOM 781 O VAL B 220 87.104 -1.865 3.147 1.00 0.00 O ATOM 782 CB VAL B 220 85.623 -0.194 5.612 1.00 0.00 C ATOM 783 CG1 VAL B 220 86.111 -1.571 6.281 1.00 0.00 C ATOM 784 CG2 VAL B 220 85.719 1.000 6.682 1.00 0.00 C ATOM 0 H VAL B 220 85.150 1.850 4.168 1.00 0.00 H new ATOM 0 HA VAL B 220 87.529 0.212 4.590 1.00 0.00 H new ATOM 0 HB VAL B 220 84.586 -0.324 5.303 1.00 0.00 H new ATOM 0 HG11 VAL B 220 85.508 -1.780 7.164 1.00 0.00 H new ATOM 0 HG12 VAL B 220 85.998 -2.384 5.564 1.00 0.00 H new ATOM 0 HG13 VAL B 220 87.159 -1.484 6.569 1.00 0.00 H new ATOM 0 HG21 VAL B 220 85.136 0.744 7.567 1.00 0.00 H new ATOM 0 HG22 VAL B 220 86.761 1.152 6.965 1.00 0.00 H new ATOM 0 HG23 VAL B 220 85.326 1.916 6.241 1.00 0.00 H new ATOM 794 N ALA B 221 85.318 -0.730 2.313 1.00 0.00 N ATOM 795 CA ALA B 221 85.016 -1.688 1.171 1.00 0.00 C ATOM 796 C ALA B 221 86.230 -1.817 0.201 1.00 0.00 C ATOM 797 O ALA B 221 86.503 -2.888 -0.305 1.00 0.00 O ATOM 798 CB ALA B 221 83.745 -1.183 0.394 1.00 0.00 C ATOM 0 H ALA B 221 84.681 0.065 2.357 1.00 0.00 H new ATOM 0 HA ALA B 221 84.823 -2.677 1.587 1.00 0.00 H new ATOM 0 HB1 ALA B 221 83.524 -1.867 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA B 221 82.894 -1.145 1.074 1.00 0.00 H new ATOM 0 HB3 ALA B 221 83.935 -0.187 -0.005 1.00 0.00 H new ATOM 804 N ALA B 222 86.933 -0.679 -0.059 1.00 0.00 N ATOM 805 CA ALA B 222 88.129 -0.647 -1.008 1.00 0.00 C ATOM 806 C ALA B 222 89.295 -1.535 -0.486 1.00 0.00 C ATOM 807 O ALA B 222 89.949 -2.237 -1.250 1.00 0.00 O ATOM 808 CB ALA B 222 88.586 0.849 -1.184 1.00 0.00 C ATOM 0 H ALA B 222 86.712 0.225 0.358 1.00 0.00 H new ATOM 0 HA ALA B 222 87.836 -1.057 -1.974 1.00 0.00 H new ATOM 0 HB1 ALA B 222 89.440 0.891 -1.859 1.00 0.00 H new ATOM 0 HB2 ALA B 222 87.765 1.434 -1.600 1.00 0.00 H new ATOM 0 HB3 ALA B 222 88.869 1.259 -0.215 1.00 0.00 H new ATOM 814 N VAL B 223 89.529 -1.472 0.842 1.00 0.00 N ATOM 815 CA VAL B 223 90.622 -2.263 1.547 1.00 0.00 C ATOM 816 C VAL B 223 90.247 -3.773 1.556 1.00 0.00 C ATOM 817 O VAL B 223 91.109 -4.634 1.433 1.00 0.00 O ATOM 818 CB VAL B 223 90.821 -1.675 3.030 1.00 0.00 C ATOM 819 CG1 VAL B 223 92.004 -2.425 3.817 1.00 0.00 C ATOM 820 CG2 VAL B 223 91.122 -0.095 2.962 1.00 0.00 C ATOM 0 H VAL B 223 88.984 -0.884 1.472 1.00 0.00 H new ATOM 0 HA VAL B 223 91.571 -2.166 1.019 1.00 0.00 H new ATOM 0 HB VAL B 223 89.896 -1.847 3.580 1.00 0.00 H new ATOM 0 HG11 VAL B 223 92.106 -1.998 4.815 1.00 0.00 H new ATOM 0 HG12 VAL B 223 91.771 -3.487 3.899 1.00 0.00 H new ATOM 0 HG13 VAL B 223 92.940 -2.300 3.272 1.00 0.00 H new ATOM 0 HG21 VAL B 223 91.255 0.294 3.972 1.00 0.00 H new ATOM 0 HG22 VAL B 223 92.030 0.078 2.384 1.00 0.00 H new ATOM 0 HG23 VAL B 223 90.285 0.415 2.484 1.00 0.00 H new ATOM 830 N VAL B 224 88.932 -4.063 1.755 1.00 0.00 N ATOM 831 CA VAL B 224 88.385 -5.495 1.842 1.00 0.00 C ATOM 832 C VAL B 224 88.710 -6.310 0.546 1.00 0.00 C ATOM 833 O VAL B 224 88.916 -7.513 0.614 1.00 0.00 O ATOM 834 CB VAL B 224 86.786 -5.467 2.243 1.00 0.00 C ATOM 835 CG1 VAL B 224 85.800 -5.944 1.061 1.00 0.00 C ATOM 836 CG2 VAL B 224 86.493 -6.338 3.567 1.00 0.00 C ATOM 0 H VAL B 224 88.215 -3.346 1.861 1.00 0.00 H new ATOM 0 HA VAL B 224 88.892 -6.031 2.644 1.00 0.00 H new ATOM 0 HB VAL B 224 86.569 -4.416 2.434 1.00 0.00 H new ATOM 0 HG11 VAL B 224 84.767 -5.896 1.407 1.00 0.00 H new ATOM 0 HG12 VAL B 224 85.924 -5.290 0.198 1.00 0.00 H new ATOM 0 HG13 VAL B 224 86.040 -6.969 0.778 1.00 0.00 H new ATOM 0 HG21 VAL B 224 85.429 -6.297 3.802 1.00 0.00 H new ATOM 0 HG22 VAL B 224 86.787 -7.373 3.394 1.00 0.00 H new ATOM 0 HG23 VAL B 224 87.065 -5.934 4.402 1.00 0.00 H new ATOM 846 N LEU B 225 88.733 -5.629 -0.638 1.00 0.00 N ATOM 847 CA LEU B 225 89.020 -6.317 -1.977 1.00 0.00 C ATOM 848 C LEU B 225 90.460 -6.938 -2.009 1.00 0.00 C ATOM 849 O LEU B 225 90.663 -7.990 -2.609 1.00 0.00 O ATOM 850 CB LEU B 225 88.849 -5.272 -3.172 1.00 0.00 C ATOM 851 CG LEU B 225 87.340 -4.707 -3.353 1.00 0.00 C ATOM 852 CD1 LEU B 225 87.306 -3.480 -4.370 1.00 0.00 C ATOM 853 CD2 LEU B 225 86.320 -5.839 -3.842 1.00 0.00 C ATOM 0 H LEU B 225 88.563 -4.626 -0.715 1.00 0.00 H new ATOM 0 HA LEU B 225 88.304 -7.130 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU B 225 89.522 -4.431 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU B 225 89.161 -5.747 -4.102 1.00 0.00 H new ATOM 0 HG LEU B 225 87.018 -4.368 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU B 225 86.282 -3.121 -4.473 1.00 0.00 H new ATOM 0 HD12 LEU B 225 87.936 -2.676 -3.991 1.00 0.00 H new ATOM 0 HD13 LEU B 225 87.676 -3.803 -5.343 1.00 0.00 H new ATOM 0 HD21 LEU B 225 85.324 -5.410 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU B 225 86.649 -6.234 -4.803 1.00 0.00 H new ATOM 0 HD23 LEU B 225 86.292 -6.645 -3.109 1.00 0.00 H new ATOM 865 N ILE B 226 91.458 -6.224 -1.423 1.00 0.00 N ATOM 866 CA ILE B 226 92.920 -6.677 -1.464 1.00 0.00 C ATOM 867 C ILE B 226 93.188 -7.944 -0.585 1.00 0.00 C ATOM 868 O ILE B 226 93.767 -8.906 -1.044 1.00 0.00 O ATOM 869 CB ILE B 226 93.891 -5.480 -0.984 1.00 0.00 C ATOM 870 CG1 ILE B 226 93.465 -4.064 -1.639 1.00 0.00 C ATOM 871 CG2 ILE B 226 95.431 -5.808 -1.316 1.00 0.00 C ATOM 872 CD1 ILE B 226 93.445 -4.056 -3.190 1.00 0.00 C ATOM 0 H ILE B 226 91.307 -5.349 -0.922 1.00 0.00 H new ATOM 0 HA ILE B 226 93.133 -6.943 -2.499 1.00 0.00 H new ATOM 0 HB ILE B 226 93.781 -5.397 0.097 1.00 0.00 H new ATOM 0 HG12 ILE B 226 92.475 -3.792 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE B 226 94.155 -3.295 -1.293 1.00 0.00 H new ATOM 0 HG21 ILE B 226 96.059 -4.983 -0.981 1.00 0.00 H new ATOM 0 HG22 ILE B 226 95.727 -6.722 -0.802 1.00 0.00 H new ATOM 0 HG23 ILE B 226 95.551 -5.942 -2.391 1.00 0.00 H new ATOM 0 HD11 ILE B 226 93.149 -3.069 -3.545 1.00 0.00 H new ATOM 0 HD12 ILE B 226 94.439 -4.295 -3.568 1.00 0.00 H new ATOM 0 HD13 ILE B 226 92.733 -4.799 -3.549 1.00 0.00 H new ATOM 884 N VAL B 227 92.826 -7.864 0.713 1.00 0.00 N ATOM 885 CA VAL B 227 93.088 -8.964 1.744 1.00 0.00 C ATOM 886 C VAL B 227 92.281 -10.268 1.470 1.00 0.00 C ATOM 887 O VAL B 227 92.748 -11.364 1.769 1.00 0.00 O ATOM 888 CB VAL B 227 92.841 -8.363 3.214 1.00 0.00 C ATOM 889 CG1 VAL B 227 93.787 -7.077 3.456 1.00 0.00 C ATOM 890 CG2 VAL B 227 91.311 -7.950 3.402 1.00 0.00 C ATOM 0 H VAL B 227 92.346 -7.053 1.102 1.00 0.00 H new ATOM 0 HA VAL B 227 94.128 -9.280 1.664 1.00 0.00 H new ATOM 0 HB VAL B 227 93.089 -9.133 3.945 1.00 0.00 H new ATOM 0 HG11 VAL B 227 93.611 -6.679 4.455 1.00 0.00 H new ATOM 0 HG12 VAL B 227 94.832 -7.371 3.362 1.00 0.00 H new ATOM 0 HG13 VAL B 227 93.557 -6.312 2.715 1.00 0.00 H new ATOM 0 HG21 VAL B 227 91.164 -7.545 4.403 1.00 0.00 H new ATOM 0 HG22 VAL B 227 91.045 -7.195 2.663 1.00 0.00 H new ATOM 0 HG23 VAL B 227 90.678 -8.827 3.269 1.00 0.00 H new ATOM 900 N ALA B 228 91.032 -10.113 0.982 1.00 0.00 N ATOM 901 CA ALA B 228 90.070 -11.275 0.744 1.00 0.00 C ATOM 902 C ALA B 228 90.622 -12.357 -0.243 1.00 0.00 C ATOM 903 O ALA B 228 90.267 -13.524 -0.110 1.00 0.00 O ATOM 904 CB ALA B 228 88.703 -10.692 0.224 1.00 0.00 C ATOM 0 H ALA B 228 90.641 -9.204 0.736 1.00 0.00 H new ATOM 0 HA ALA B 228 89.935 -11.794 1.693 1.00 0.00 H new ATOM 0 HB1 ALA B 228 88.003 -11.508 0.048 1.00 0.00 H new ATOM 0 HB2 ALA B 228 88.290 -10.013 0.970 1.00 0.00 H new ATOM 0 HB3 ALA B 228 88.869 -10.150 -0.707 1.00 0.00 H new ATOM 910 N VAL B 229 91.463 -11.971 -1.249 1.00 0.00 N ATOM 911 CA VAL B 229 92.024 -12.977 -2.273 1.00 0.00 C ATOM 912 C VAL B 229 92.884 -14.067 -1.562 1.00 0.00 C ATOM 913 O VAL B 229 92.822 -15.235 -1.911 1.00 0.00 O ATOM 914 CB VAL B 229 92.838 -12.246 -3.463 1.00 0.00 C ATOM 915 CG1 VAL B 229 91.978 -11.026 -4.041 1.00 0.00 C ATOM 916 CG2 VAL B 229 94.290 -11.737 -3.002 1.00 0.00 C ATOM 0 H VAL B 229 91.774 -11.010 -1.392 1.00 0.00 H new ATOM 0 HA VAL B 229 91.177 -13.475 -2.744 1.00 0.00 H new ATOM 0 HB VAL B 229 93.000 -12.987 -4.246 1.00 0.00 H new ATOM 0 HG11 VAL B 229 92.532 -10.538 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL B 229 91.031 -11.400 -4.430 1.00 0.00 H new ATOM 0 HG13 VAL B 229 91.784 -10.308 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL B 229 94.790 -11.255 -3.842 1.00 0.00 H new ATOM 0 HG22 VAL B 229 94.183 -11.024 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL B 229 94.884 -12.587 -2.666 1.00 0.00 H new ATOM 926 N PHE B 230 93.699 -13.638 -0.548 1.00 0.00 N ATOM 927 CA PHE B 230 94.603 -14.587 0.242 1.00 0.00 C ATOM 928 C PHE B 230 93.747 -15.636 1.018 1.00 0.00 C ATOM 929 O PHE B 230 94.112 -16.799 1.107 1.00 0.00 O ATOM 930 CB PHE B 230 95.510 -13.745 1.226 1.00 0.00 C ATOM 931 CG PHE B 230 96.548 -12.857 0.407 1.00 0.00 C ATOM 932 CD1 PHE B 230 97.833 -13.384 0.042 1.00 0.00 C ATOM 933 CD2 PHE B 230 96.223 -11.525 0.000 1.00 0.00 C ATOM 934 CE1 PHE B 230 98.749 -12.598 -0.696 1.00 0.00 C ATOM 935 CE2 PHE B 230 97.150 -10.750 -0.739 1.00 0.00 C ATOM 936 CZ PHE B 230 98.409 -11.286 -1.085 1.00 0.00 C ATOM 0 H PHE B 230 93.761 -12.664 -0.250 1.00 0.00 H new ATOM 0 HA PHE B 230 95.248 -15.135 -0.446 1.00 0.00 H new ATOM 0 HB2 PHE B 230 94.885 -13.104 1.847 1.00 0.00 H new ATOM 0 HB3 PHE B 230 96.046 -14.415 1.898 1.00 0.00 H new ATOM 0 HD1 PHE B 230 98.102 -14.389 0.333 1.00 0.00 H new ATOM 0 HD2 PHE B 230 95.262 -11.106 0.259 1.00 0.00 H new ATOM 0 HE1 PHE B 230 99.713 -13.005 -0.963 1.00 0.00 H new ATOM 0 HE2 PHE B 230 96.892 -9.745 -1.039 1.00 0.00 H new ATOM 0 HZ PHE B 230 99.113 -10.691 -1.648 1.00 0.00 H new ATOM 946 N VAL B 231 92.597 -15.178 1.572 1.00 0.00 N ATOM 947 CA VAL B 231 91.633 -16.056 2.368 1.00 0.00 C ATOM 948 C VAL B 231 91.008 -17.138 1.429 1.00 0.00 C ATOM 949 O VAL B 231 90.823 -18.284 1.824 1.00 0.00 O ATOM 950 CB VAL B 231 90.513 -15.127 3.053 1.00 0.00 C ATOM 951 CG1 VAL B 231 89.499 -15.983 3.961 1.00 0.00 C ATOM 952 CG2 VAL B 231 91.211 -13.981 3.939 1.00 0.00 C ATOM 0 H VAL B 231 92.293 -14.207 1.495 1.00 0.00 H new ATOM 0 HA VAL B 231 92.164 -16.581 3.162 1.00 0.00 H new ATOM 0 HB VAL B 231 89.933 -14.666 2.253 1.00 0.00 H new ATOM 0 HG11 VAL B 231 88.758 -15.318 4.405 1.00 0.00 H new ATOM 0 HG12 VAL B 231 88.995 -16.726 3.342 1.00 0.00 H new ATOM 0 HG13 VAL B 231 90.055 -16.487 4.752 1.00 0.00 H new ATOM 0 HG21 VAL B 231 90.443 -13.358 4.398 1.00 0.00 H new ATOM 0 HG22 VAL B 231 91.818 -14.442 4.718 1.00 0.00 H new ATOM 0 HG23 VAL B 231 91.846 -13.365 3.302 1.00 0.00 H new ATOM 962 N CYS B 232 90.679 -16.722 0.180 1.00 0.00 N ATOM 963 CA CYS B 232 90.049 -17.624 -0.875 1.00 0.00 C ATOM 964 C CYS B 232 91.047 -18.737 -1.328 1.00 0.00 C ATOM 965 O CYS B 232 90.682 -19.898 -1.450 1.00 0.00 O ATOM 966 CB CYS B 232 89.607 -16.727 -2.091 1.00 0.00 C ATOM 967 SG CYS B 232 88.715 -17.695 -3.354 1.00 0.00 S ATOM 0 H CYS B 232 90.832 -15.767 -0.143 1.00 0.00 H new ATOM 0 HA CYS B 232 89.179 -18.130 -0.457 1.00 0.00 H new ATOM 0 HB2 CYS B 232 88.969 -15.919 -1.734 1.00 0.00 H new ATOM 0 HB3 CYS B 232 90.486 -16.264 -2.540 1.00 0.00 H new ATOM 0 HG CYS B 232 88.369 -16.915 -4.335 1.00 0.00 H new ATOM 973 N LYS B 233 92.312 -18.328 -1.592 1.00 0.00 N ATOM 974 CA LYS B 233 93.423 -19.264 -2.058 1.00 0.00 C ATOM 975 C LYS B 233 93.866 -20.214 -0.908 1.00 0.00 C ATOM 976 O LYS B 233 94.086 -21.398 -1.128 1.00 0.00 O ATOM 977 CB LYS B 233 94.636 -18.380 -2.593 1.00 0.00 C ATOM 978 CG LYS B 233 94.246 -17.577 -3.923 1.00 0.00 C ATOM 979 CD LYS B 233 95.391 -16.556 -4.398 1.00 0.00 C ATOM 980 CE LYS B 233 96.722 -17.272 -4.860 1.00 0.00 C ATOM 981 NZ LYS B 233 97.635 -16.263 -5.480 1.00 0.00 N ATOM 0 H LYS B 233 92.612 -17.358 -1.497 1.00 0.00 H new ATOM 0 HA LYS B 233 93.061 -19.900 -2.866 1.00 0.00 H new ATOM 0 HB2 LYS B 233 94.941 -17.675 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS B 233 95.493 -19.023 -2.795 1.00 0.00 H new ATOM 0 HG2 LYS B 233 94.046 -18.288 -4.724 1.00 0.00 H new ATOM 0 HG3 LYS B 233 93.323 -17.024 -3.749 1.00 0.00 H new ATOM 0 HD2 LYS B 233 95.009 -15.951 -5.220 1.00 0.00 H new ATOM 0 HD3 LYS B 233 95.620 -15.873 -3.580 1.00 0.00 H new ATOM 0 HE2 LYS B 233 97.209 -17.745 -4.007 1.00 0.00 H new ATOM 0 HE3 LYS B 233 96.494 -18.062 -5.576 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 98.512 -16.730 -5.786 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 97.168 -15.831 -6.303 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 97.861 -15.525 -4.783 1.00 0.00 H new ATOM 995 N SER B 234 93.990 -19.668 0.328 1.00 0.00 N ATOM 996 CA SER B 234 94.433 -20.474 1.550 1.00 0.00 C ATOM 997 C SER B 234 93.406 -21.594 1.868 1.00 0.00 C ATOM 998 O SER B 234 93.757 -22.626 2.423 1.00 0.00 O ATOM 999 CB SER B 234 94.578 -19.503 2.772 1.00 0.00 C ATOM 1000 OG SER B 234 93.300 -18.968 3.106 1.00 0.00 O ATOM 0 H SER B 234 93.798 -18.687 0.529 1.00 0.00 H new ATOM 0 HA SER B 234 95.392 -20.949 1.343 1.00 0.00 H new ATOM 0 HB2 SER B 234 94.996 -20.036 3.626 1.00 0.00 H new ATOM 0 HB3 SER B 234 95.270 -18.696 2.530 1.00 0.00 H new ATOM 0 HG SER B 234 92.738 -18.940 2.304 1.00 0.00 H new ATOM 1006 N LEU B 235 92.132 -21.355 1.476 1.00 0.00 N ATOM 1007 CA LEU B 235 90.991 -22.338 1.674 1.00 0.00 C ATOM 1008 C LEU B 235 91.065 -23.434 0.577 1.00 0.00 C ATOM 1009 O LEU B 235 90.651 -24.564 0.805 1.00 0.00 O ATOM 1010 CB LEU B 235 89.624 -21.531 1.622 1.00 0.00 C ATOM 1011 CG LEU B 235 88.283 -22.435 1.747 1.00 0.00 C ATOM 1012 CD1 LEU B 235 88.255 -23.292 3.081 1.00 0.00 C ATOM 1013 CD2 LEU B 235 86.980 -21.517 1.638 1.00 0.00 C ATOM 0 H LEU B 235 91.847 -20.490 1.016 1.00 0.00 H new ATOM 0 HA LEU B 235 91.060 -22.837 2.641 1.00 0.00 H new ATOM 0 HB2 LEU B 235 89.624 -20.796 2.427 1.00 0.00 H new ATOM 0 HB3 LEU B 235 89.583 -20.977 0.684 1.00 0.00 H new ATOM 0 HG LEU B 235 88.291 -23.141 0.916 1.00 0.00 H new ATOM 0 HD11 LEU B 235 87.337 -23.879 3.117 1.00 0.00 H new ATOM 0 HD12 LEU B 235 89.115 -23.961 3.102 1.00 0.00 H new ATOM 0 HD13 LEU B 235 88.293 -22.625 3.943 1.00 0.00 H new ATOM 0 HD21 LEU B 235 86.089 -22.139 1.724 1.00 0.00 H new ATOM 0 HD22 LEU B 235 86.986 -20.779 2.440 1.00 0.00 H new ATOM 0 HD23 LEU B 235 86.975 -21.006 0.675 1.00 0.00 H new ATOM 1025 N LEU B 236 91.574 -23.062 -0.634 1.00 0.00 N ATOM 1026 CA LEU B 236 91.682 -24.017 -1.822 1.00 0.00 C ATOM 1027 C LEU B 236 92.941 -24.914 -1.675 1.00 0.00 C ATOM 1028 O LEU B 236 92.942 -26.040 -2.154 1.00 0.00 O ATOM 1029 CB LEU B 236 91.735 -23.143 -3.146 1.00 0.00 C ATOM 1030 CG LEU B 236 91.871 -23.985 -4.525 1.00 0.00 C ATOM 1031 CD1 LEU B 236 90.682 -25.015 -4.727 1.00 0.00 C ATOM 1032 CD2 LEU B 236 91.973 -22.992 -5.774 1.00 0.00 C ATOM 0 H LEU B 236 91.917 -22.122 -0.831 1.00 0.00 H new ATOM 0 HA LEU B 236 90.820 -24.683 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU B 236 90.831 -22.536 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU B 236 92.578 -22.455 -3.075 1.00 0.00 H new ATOM 0 HG LEU B 236 92.788 -24.570 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU B 236 90.822 -25.552 -5.665 1.00 0.00 H new ATOM 0 HD12 LEU B 236 90.671 -25.725 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU B 236 89.735 -24.476 -4.755 1.00 0.00 H new ATOM 0 HD21 LEU B 236 92.064 -23.571 -6.693 1.00 0.00 H new ATOM 0 HD22 LEU B 236 91.076 -22.374 -5.822 1.00 0.00 H new ATOM 0 HD23 LEU B 236 92.848 -22.353 -5.660 1.00 0.00 H new ATOM 1214 N LEU C 211 89.057 11.495 17.025 1.00 0.00 N ATOM 1215 CA LEU C 211 88.175 10.384 16.451 1.00 0.00 C ATOM 1216 C LEU C 211 87.747 10.737 15.015 1.00 0.00 C ATOM 1217 O LEU C 211 87.642 9.883 14.153 1.00 0.00 O ATOM 1218 CB LEU C 211 86.942 10.194 17.436 1.00 0.00 C ATOM 1219 CG LEU C 211 85.845 9.059 17.027 1.00 0.00 C ATOM 1220 CD1 LEU C 211 84.766 9.536 15.957 1.00 0.00 C ATOM 1221 CD2 LEU C 211 86.520 7.687 16.596 1.00 0.00 C ATOM 0 HA LEU C 211 88.714 9.439 16.381 1.00 0.00 H new ATOM 0 HB2 LEU C 211 87.331 9.950 18.425 1.00 0.00 H new ATOM 0 HB3 LEU C 211 86.426 11.150 17.523 1.00 0.00 H new ATOM 0 HG LEU C 211 85.287 8.884 17.947 1.00 0.00 H new ATOM 0 HD11 LEU C 211 84.078 8.718 15.745 1.00 0.00 H new ATOM 0 HD12 LEU C 211 84.209 10.384 16.355 1.00 0.00 H new ATOM 0 HD13 LEU C 211 85.271 9.833 15.038 1.00 0.00 H new ATOM 0 HD21 LEU C 211 85.745 6.967 16.334 1.00 0.00 H new ATOM 0 HD22 LEU C 211 87.166 7.854 15.734 1.00 0.00 H new ATOM 0 HD23 LEU C 211 87.113 7.297 17.424 1.00 0.00 H new ATOM 1233 N SER C 212 87.531 12.037 14.774 1.00 0.00 N ATOM 1234 CA SER C 212 87.158 12.581 13.401 1.00 0.00 C ATOM 1235 C SER C 212 88.385 12.493 12.449 1.00 0.00 C ATOM 1236 O SER C 212 88.240 12.543 11.242 1.00 0.00 O ATOM 1237 CB SER C 212 86.651 14.051 13.562 1.00 0.00 C ATOM 1238 OG SER C 212 85.465 14.038 14.347 1.00 0.00 O ATOM 0 H SER C 212 87.601 12.756 15.494 1.00 0.00 H new ATOM 0 HA SER C 212 86.358 11.987 12.959 1.00 0.00 H new ATOM 0 HB2 SER C 212 87.415 14.664 14.040 1.00 0.00 H new ATOM 0 HB3 SER C 212 86.453 14.492 12.585 1.00 0.00 H new ATOM 0 HG SER C 212 85.136 14.954 14.458 1.00 0.00 H new ATOM 1244 N GLY C 213 89.588 12.402 13.059 1.00 0.00 N ATOM 1245 CA GLY C 213 90.910 12.344 12.327 1.00 0.00 C ATOM 1246 C GLY C 213 91.167 11.001 11.618 1.00 0.00 C ATOM 1247 O GLY C 213 91.548 10.985 10.452 1.00 0.00 O ATOM 0 H GLY C 213 89.689 12.366 14.073 1.00 0.00 H new ATOM 0 HA2 GLY C 213 90.942 13.146 11.590 1.00 0.00 H new ATOM 0 HA3 GLY C 213 91.716 12.530 13.036 1.00 0.00 H new ATOM 1251 N ILE C 214 90.998 9.848 12.344 1.00 0.00 N ATOM 1252 CA ILE C 214 91.273 8.457 11.746 1.00 0.00 C ATOM 1253 C ILE C 214 90.377 8.188 10.496 1.00 0.00 C ATOM 1254 O ILE C 214 90.810 7.535 9.556 1.00 0.00 O ATOM 1255 CB ILE C 214 91.159 7.301 12.863 1.00 0.00 C ATOM 1256 CG1 ILE C 214 91.598 5.857 12.264 1.00 0.00 C ATOM 1257 CG2 ILE C 214 89.695 7.249 13.484 1.00 0.00 C ATOM 1258 CD1 ILE C 214 91.713 4.745 13.348 1.00 0.00 C ATOM 0 H ILE C 214 90.684 9.831 13.314 1.00 0.00 H new ATOM 0 HA ILE C 214 92.304 8.439 11.394 1.00 0.00 H new ATOM 0 HB ILE C 214 91.852 7.546 13.667 1.00 0.00 H new ATOM 0 HG12 ILE C 214 90.871 5.548 11.513 1.00 0.00 H new ATOM 0 HG13 ILE C 214 92.557 5.959 11.756 1.00 0.00 H new ATOM 0 HG21 ILE C 214 89.646 6.460 14.235 1.00 0.00 H new ATOM 0 HG22 ILE C 214 89.463 8.207 13.949 1.00 0.00 H new ATOM 0 HG23 ILE C 214 88.972 7.044 12.695 1.00 0.00 H new ATOM 0 HD11 ILE C 214 92.010 3.808 12.878 1.00 0.00 H new ATOM 0 HD12 ILE C 214 92.461 5.033 14.087 1.00 0.00 H new ATOM 0 HD13 ILE C 214 90.749 4.615 13.840 1.00 0.00 H new ATOM 1270 N ILE C 215 89.108 8.692 10.513 1.00 0.00 N ATOM 1271 CA ILE C 215 88.123 8.492 9.354 1.00 0.00 C ATOM 1272 C ILE C 215 88.701 9.113 8.035 1.00 0.00 C ATOM 1273 O ILE C 215 88.474 8.588 6.959 1.00 0.00 O ATOM 1274 CB ILE C 215 86.681 9.098 9.745 1.00 0.00 C ATOM 1275 CG1 ILE C 215 86.166 8.428 11.131 1.00 0.00 C ATOM 1276 CG2 ILE C 215 85.609 8.863 8.565 1.00 0.00 C ATOM 1277 CD1 ILE C 215 84.832 9.033 11.660 1.00 0.00 C ATOM 0 H ILE C 215 88.728 9.232 11.290 1.00 0.00 H new ATOM 0 HA ILE C 215 87.986 7.427 9.169 1.00 0.00 H new ATOM 0 HB ILE C 215 86.782 10.174 9.884 1.00 0.00 H new ATOM 0 HG12 ILE C 215 86.034 7.357 10.979 1.00 0.00 H new ATOM 0 HG13 ILE C 215 86.937 8.550 11.892 1.00 0.00 H new ATOM 0 HG21 ILE C 215 84.647 9.283 8.859 1.00 0.00 H new ATOM 0 HG22 ILE C 215 85.956 9.353 7.655 1.00 0.00 H new ATOM 0 HG23 ILE C 215 85.498 7.794 8.382 1.00 0.00 H new ATOM 0 HD11 ILE C 215 84.550 8.536 12.588 1.00 0.00 H new ATOM 0 HD12 ILE C 215 84.964 10.099 11.844 1.00 0.00 H new ATOM 0 HD13 ILE C 215 84.047 8.887 10.918 1.00 0.00 H new ATOM 1289 N ILE C 216 89.444 10.243 8.146 1.00 0.00 N ATOM 1290 CA ILE C 216 90.091 10.934 6.941 1.00 0.00 C ATOM 1291 C ILE C 216 91.265 10.045 6.407 1.00 0.00 C ATOM 1292 O ILE C 216 91.485 9.933 5.208 1.00 0.00 O ATOM 1293 CB ILE C 216 90.583 12.409 7.365 1.00 0.00 C ATOM 1294 CG1 ILE C 216 89.326 13.265 7.931 1.00 0.00 C ATOM 1295 CG2 ILE C 216 91.277 13.178 6.130 1.00 0.00 C ATOM 1296 CD1 ILE C 216 89.735 14.642 8.537 1.00 0.00 C ATOM 0 H ILE C 216 89.624 10.710 9.035 1.00 0.00 H new ATOM 0 HA ILE C 216 89.369 11.052 6.133 1.00 0.00 H new ATOM 0 HB ILE C 216 91.332 12.306 8.150 1.00 0.00 H new ATOM 0 HG12 ILE C 216 88.615 13.430 7.122 1.00 0.00 H new ATOM 0 HG13 ILE C 216 88.812 12.680 8.693 1.00 0.00 H new ATOM 0 HG21 ILE C 216 91.596 14.169 6.452 1.00 0.00 H new ATOM 0 HG22 ILE C 216 92.143 12.611 5.788 1.00 0.00 H new ATOM 0 HG23 ILE C 216 90.562 13.275 5.313 1.00 0.00 H new ATOM 0 HD11 ILE C 216 88.846 15.160 8.896 1.00 0.00 H new ATOM 0 HD12 ILE C 216 90.423 14.484 9.368 1.00 0.00 H new ATOM 0 HD13 ILE C 216 90.223 15.246 7.772 1.00 0.00 H new ATOM 1308 N TYR C 217 92.048 9.497 7.365 1.00 0.00 N ATOM 1309 CA TYR C 217 93.299 8.669 7.084 1.00 0.00 C ATOM 1310 C TYR C 217 93.040 7.339 6.305 1.00 0.00 C ATOM 1311 O TYR C 217 93.857 6.966 5.467 1.00 0.00 O ATOM 1312 CB TYR C 217 94.026 8.386 8.467 1.00 0.00 C ATOM 1313 CG TYR C 217 95.430 7.661 8.276 1.00 0.00 C ATOM 1314 CD1 TYR C 217 96.529 8.377 7.704 1.00 0.00 C ATOM 1315 CD2 TYR C 217 95.635 6.287 8.650 1.00 0.00 C ATOM 1316 CE1 TYR C 217 97.779 7.738 7.521 1.00 0.00 C ATOM 1317 CE2 TYR C 217 96.896 5.678 8.457 1.00 0.00 C ATOM 1318 CZ TYR C 217 97.953 6.402 7.897 1.00 0.00 C ATOM 1319 OH TYR C 217 99.181 5.792 7.711 1.00 0.00 O ATOM 0 H TYR C 217 91.852 9.602 8.361 1.00 0.00 H new ATOM 0 HA TYR C 217 93.932 9.253 6.416 1.00 0.00 H new ATOM 0 HB2 TYR C 217 94.175 9.328 8.996 1.00 0.00 H new ATOM 0 HB3 TYR C 217 93.383 7.767 9.093 1.00 0.00 H new ATOM 0 HD1 TYR C 217 96.404 9.409 7.411 1.00 0.00 H new ATOM 0 HD2 TYR C 217 94.823 5.719 9.080 1.00 0.00 H new ATOM 0 HE1 TYR C 217 98.603 8.285 7.088 1.00 0.00 H new ATOM 0 HE2 TYR C 217 97.044 4.647 8.744 1.00 0.00 H new ATOM 0 HH TYR C 217 99.136 4.865 8.025 1.00 0.00 H new ATOM 1329 N VAL C 218 91.946 6.587 6.620 1.00 0.00 N ATOM 1330 CA VAL C 218 91.677 5.238 5.931 1.00 0.00 C ATOM 1331 C VAL C 218 91.429 5.406 4.396 1.00 0.00 C ATOM 1332 O VAL C 218 91.671 4.480 3.631 1.00 0.00 O ATOM 1333 CB VAL C 218 90.476 4.451 6.660 1.00 0.00 C ATOM 1334 CG1 VAL C 218 90.879 4.076 8.173 1.00 0.00 C ATOM 1335 CG2 VAL C 218 89.139 5.322 6.652 1.00 0.00 C ATOM 0 H VAL C 218 91.248 6.855 7.314 1.00 0.00 H new ATOM 0 HA VAL C 218 92.575 4.628 6.031 1.00 0.00 H new ATOM 0 HB VAL C 218 90.294 3.530 6.106 1.00 0.00 H new ATOM 0 HG11 VAL C 218 90.054 3.545 8.648 1.00 0.00 H new ATOM 0 HG12 VAL C 218 91.764 3.440 8.167 1.00 0.00 H new ATOM 0 HG13 VAL C 218 91.092 4.989 8.730 1.00 0.00 H new ATOM 0 HG21 VAL C 218 88.342 4.770 7.150 1.00 0.00 H new ATOM 0 HG22 VAL C 218 89.313 6.261 7.178 1.00 0.00 H new ATOM 0 HG23 VAL C 218 88.847 5.531 5.623 1.00 0.00 H new ATOM 1345 N THR C 219 90.911 6.591 3.975 1.00 0.00 N ATOM 1346 CA THR C 219 90.588 6.877 2.508 1.00 0.00 C ATOM 1347 C THR C 219 91.865 6.997 1.638 1.00 0.00 C ATOM 1348 O THR C 219 91.960 6.375 0.583 1.00 0.00 O ATOM 1349 CB THR C 219 89.764 8.236 2.397 1.00 0.00 C ATOM 1350 OG1 THR C 219 90.622 9.327 2.738 1.00 0.00 O ATOM 1351 CG2 THR C 219 88.539 8.268 3.382 1.00 0.00 C ATOM 0 H THR C 219 90.703 7.367 4.603 1.00 0.00 H new ATOM 0 HA THR C 219 90.002 6.036 2.137 1.00 0.00 H new ATOM 0 HB THR C 219 89.394 8.312 1.375 1.00 0.00 H new ATOM 0 HG1 THR C 219 90.861 9.271 3.687 1.00 0.00 H new ATOM 0 HG21 THR C 219 88.007 9.213 3.271 1.00 0.00 H new ATOM 0 HG22 THR C 219 87.865 7.443 3.151 1.00 0.00 H new ATOM 0 HG23 THR C 219 88.894 8.170 4.408 1.00 0.00 H new ATOM 1359 N VAL C 220 92.850 7.819 2.096 1.00 0.00 N ATOM 1360 CA VAL C 220 94.159 8.032 1.337 1.00 0.00 C ATOM 1361 C VAL C 220 95.030 6.758 1.442 1.00 0.00 C ATOM 1362 O VAL C 220 95.671 6.362 0.483 1.00 0.00 O ATOM 1363 CB VAL C 220 94.899 9.354 1.868 1.00 0.00 C ATOM 1364 CG1 VAL C 220 95.227 9.253 3.422 1.00 0.00 C ATOM 1365 CG2 VAL C 220 96.229 9.670 1.022 1.00 0.00 C ATOM 0 H VAL C 220 92.785 8.345 2.968 1.00 0.00 H new ATOM 0 HA VAL C 220 93.961 8.197 0.278 1.00 0.00 H new ATOM 0 HB VAL C 220 94.209 10.186 1.724 1.00 0.00 H new ATOM 0 HG11 VAL C 220 95.728 10.165 3.748 1.00 0.00 H new ATOM 0 HG12 VAL C 220 94.300 9.128 3.982 1.00 0.00 H new ATOM 0 HG13 VAL C 220 95.878 8.397 3.602 1.00 0.00 H new ATOM 0 HG21 VAL C 220 96.702 10.572 1.411 1.00 0.00 H new ATOM 0 HG22 VAL C 220 96.921 8.832 1.106 1.00 0.00 H new ATOM 0 HG23 VAL C 220 95.967 9.821 -0.025 1.00 0.00 H new ATOM 1375 N ALA C 221 95.030 6.119 2.646 1.00 0.00 N ATOM 1376 CA ALA C 221 95.840 4.856 2.913 1.00 0.00 C ATOM 1377 C ALA C 221 95.459 3.718 1.916 1.00 0.00 C ATOM 1378 O ALA C 221 96.303 2.924 1.525 1.00 0.00 O ATOM 1379 CB ALA C 221 95.615 4.399 4.400 1.00 0.00 C ATOM 0 H ALA C 221 94.490 6.440 3.450 1.00 0.00 H new ATOM 0 HA ALA C 221 96.897 5.076 2.761 1.00 0.00 H new ATOM 0 HB1 ALA C 221 96.193 3.496 4.594 1.00 0.00 H new ATOM 0 HB2 ALA C 221 95.939 5.190 5.077 1.00 0.00 H new ATOM 0 HB3 ALA C 221 94.557 4.194 4.562 1.00 0.00 H new ATOM 1385 N ALA C 222 94.149 3.667 1.534 1.00 0.00 N ATOM 1386 CA ALA C 222 93.601 2.615 0.580 1.00 0.00 C ATOM 1387 C ALA C 222 94.266 2.715 -0.830 1.00 0.00 C ATOM 1388 O ALA C 222 94.598 1.705 -1.439 1.00 0.00 O ATOM 1389 CB ALA C 222 92.040 2.798 0.488 1.00 0.00 C ATOM 0 H ALA C 222 93.446 4.330 1.861 1.00 0.00 H new ATOM 0 HA ALA C 222 93.836 1.621 0.961 1.00 0.00 H new ATOM 0 HB1 ALA C 222 91.626 2.053 -0.192 1.00 0.00 H new ATOM 0 HB2 ALA C 222 91.600 2.671 1.477 1.00 0.00 H new ATOM 0 HB3 ALA C 222 91.812 3.796 0.115 1.00 0.00 H new ATOM 1395 N VAL C 223 94.438 3.967 -1.326 1.00 0.00 N ATOM 1396 CA VAL C 223 95.068 4.252 -2.690 1.00 0.00 C ATOM 1397 C VAL C 223 96.589 3.920 -2.633 1.00 0.00 C ATOM 1398 O VAL C 223 97.134 3.306 -3.538 1.00 0.00 O ATOM 1399 CB VAL C 223 94.786 5.781 -3.094 1.00 0.00 C ATOM 1400 CG1 VAL C 223 95.371 6.130 -4.549 1.00 0.00 C ATOM 1401 CG2 VAL C 223 93.208 6.083 -3.048 1.00 0.00 C ATOM 0 H VAL C 223 94.158 4.808 -0.822 1.00 0.00 H new ATOM 0 HA VAL C 223 94.625 3.622 -3.462 1.00 0.00 H new ATOM 0 HB VAL C 223 95.298 6.414 -2.369 1.00 0.00 H new ATOM 0 HG11 VAL C 223 95.160 7.173 -4.785 1.00 0.00 H new ATOM 0 HG12 VAL C 223 96.449 5.967 -4.557 1.00 0.00 H new ATOM 0 HG13 VAL C 223 94.902 5.487 -5.294 1.00 0.00 H new ATOM 0 HG21 VAL C 223 93.028 7.122 -3.324 1.00 0.00 H new ATOM 0 HG22 VAL C 223 92.691 5.427 -3.749 1.00 0.00 H new ATOM 0 HG23 VAL C 223 92.833 5.905 -2.040 1.00 0.00 H new ATOM 1411 N VAL C 224 97.247 4.336 -1.520 1.00 0.00 N ATOM 1412 CA VAL C 224 98.733 4.089 -1.267 1.00 0.00 C ATOM 1413 C VAL C 224 98.993 2.558 -1.174 1.00 0.00 C ATOM 1414 O VAL C 224 100.055 2.089 -1.552 1.00 0.00 O ATOM 1415 CB VAL C 224 99.162 4.886 0.056 1.00 0.00 C ATOM 1416 CG1 VAL C 224 100.658 4.553 0.532 1.00 0.00 C ATOM 1417 CG2 VAL C 224 99.008 6.471 -0.179 1.00 0.00 C ATOM 0 H VAL C 224 96.789 4.849 -0.767 1.00 0.00 H new ATOM 0 HA VAL C 224 99.347 4.460 -2.088 1.00 0.00 H new ATOM 0 HB VAL C 224 98.492 4.556 0.850 1.00 0.00 H new ATOM 0 HG11 VAL C 224 100.889 5.123 1.432 1.00 0.00 H new ATOM 0 HG12 VAL C 224 100.743 3.488 0.746 1.00 0.00 H new ATOM 0 HG13 VAL C 224 101.359 4.822 -0.258 1.00 0.00 H new ATOM 0 HG21 VAL C 224 99.302 7.003 0.726 1.00 0.00 H new ATOM 0 HG22 VAL C 224 99.648 6.780 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL C 224 97.970 6.704 -0.416 1.00 0.00 H new ATOM 1427 N LEU C 225 97.991 1.792 -0.657 1.00 0.00 N ATOM 1428 CA LEU C 225 98.100 0.268 -0.500 1.00 0.00 C ATOM 1429 C LEU C 225 98.461 -0.384 -1.879 1.00 0.00 C ATOM 1430 O LEU C 225 99.340 -1.224 -1.968 1.00 0.00 O ATOM 1431 CB LEU C 225 96.714 -0.323 0.067 1.00 0.00 C ATOM 1432 CG LEU C 225 96.819 -1.758 0.855 1.00 0.00 C ATOM 1433 CD1 LEU C 225 97.775 -2.800 0.139 1.00 0.00 C ATOM 1434 CD2 LEU C 225 97.225 -1.581 2.385 1.00 0.00 C ATOM 0 H LEU C 225 97.101 2.176 -0.339 1.00 0.00 H new ATOM 0 HA LEU C 225 98.892 0.032 0.211 1.00 0.00 H new ATOM 0 HB2 LEU C 225 96.278 0.411 0.745 1.00 0.00 H new ATOM 0 HB3 LEU C 225 96.022 -0.438 -0.767 1.00 0.00 H new ATOM 0 HG LEU C 225 95.812 -2.174 0.819 1.00 0.00 H new ATOM 0 HD11 LEU C 225 97.798 -3.726 0.713 1.00 0.00 H new ATOM 0 HD12 LEU C 225 97.403 -3.004 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU C 225 98.782 -2.387 0.076 1.00 0.00 H new ATOM 0 HD21 LEU C 225 97.281 -2.559 2.862 1.00 0.00 H new ATOM 0 HD22 LEU C 225 98.196 -1.090 2.449 1.00 0.00 H new ATOM 0 HD23 LEU C 225 96.476 -0.972 2.892 1.00 0.00 H new ATOM 1446 N ILE C 226 97.729 0.041 -2.945 1.00 0.00 N ATOM 1447 CA ILE C 226 97.920 -0.493 -4.365 1.00 0.00 C ATOM 1448 C ILE C 226 99.296 -0.027 -4.942 1.00 0.00 C ATOM 1449 O ILE C 226 100.043 -0.818 -5.485 1.00 0.00 O ATOM 1450 CB ILE C 226 96.694 -0.005 -5.297 1.00 0.00 C ATOM 1451 CG1 ILE C 226 95.283 -0.436 -4.620 1.00 0.00 C ATOM 1452 CG2 ILE C 226 96.816 -0.608 -6.791 1.00 0.00 C ATOM 1453 CD1 ILE C 226 94.035 0.105 -5.381 1.00 0.00 C ATOM 0 H ILE C 226 96.998 0.749 -2.871 1.00 0.00 H new ATOM 0 HA ILE C 226 97.924 -1.583 -4.345 1.00 0.00 H new ATOM 0 HB ILE C 226 96.734 1.081 -5.377 1.00 0.00 H new ATOM 0 HG12 ILE C 226 95.228 -1.524 -4.576 1.00 0.00 H new ATOM 0 HG13 ILE C 226 95.257 -0.074 -3.592 1.00 0.00 H new ATOM 0 HG21 ILE C 226 95.976 -0.261 -7.393 1.00 0.00 H new ATOM 0 HG22 ILE C 226 97.750 -0.273 -7.243 1.00 0.00 H new ATOM 0 HG23 ILE C 226 96.805 -1.697 -6.746 1.00 0.00 H new ATOM 0 HD11 ILE C 226 93.128 -0.222 -4.872 1.00 0.00 H new ATOM 0 HD12 ILE C 226 94.066 1.194 -5.403 1.00 0.00 H new ATOM 0 HD13 ILE C 226 94.037 -0.278 -6.401 1.00 0.00 H new ATOM 1465 N VAL C 227 99.555 1.296 -4.864 1.00 0.00 N ATOM 1466 CA VAL C 227 100.813 1.950 -5.430 1.00 0.00 C ATOM 1467 C VAL C 227 102.113 1.506 -4.684 1.00 0.00 C ATOM 1468 O VAL C 227 103.150 1.375 -5.307 1.00 0.00 O ATOM 1469 CB VAL C 227 100.612 3.544 -5.414 1.00 0.00 C ATOM 1470 CG1 VAL C 227 101.885 4.330 -6.004 1.00 0.00 C ATOM 1471 CG2 VAL C 227 99.295 3.942 -6.249 1.00 0.00 C ATOM 0 H VAL C 227 98.921 1.958 -4.416 1.00 0.00 H new ATOM 0 HA VAL C 227 100.954 1.615 -6.458 1.00 0.00 H new ATOM 0 HB VAL C 227 100.498 3.842 -4.372 1.00 0.00 H new ATOM 0 HG11 VAL C 227 101.698 5.403 -5.971 1.00 0.00 H new ATOM 0 HG12 VAL C 227 102.766 4.097 -5.406 1.00 0.00 H new ATOM 0 HG13 VAL C 227 102.056 4.024 -7.036 1.00 0.00 H new ATOM 0 HG21 VAL C 227 99.167 5.024 -6.232 1.00 0.00 H new ATOM 0 HG22 VAL C 227 99.402 3.605 -7.280 1.00 0.00 H new ATOM 0 HG23 VAL C 227 98.423 3.467 -5.801 1.00 0.00 H new ATOM 1481 N ALA C 228 102.061 1.330 -3.340 1.00 0.00 N ATOM 1482 CA ALA C 228 103.304 0.972 -2.507 1.00 0.00 C ATOM 1483 C ALA C 228 103.960 -0.367 -2.972 1.00 0.00 C ATOM 1484 O ALA C 228 105.167 -0.429 -3.188 1.00 0.00 O ATOM 1485 CB ALA C 228 102.895 0.905 -0.987 1.00 0.00 C ATOM 0 H ALA C 228 101.205 1.421 -2.792 1.00 0.00 H new ATOM 0 HA ALA C 228 104.056 1.747 -2.653 1.00 0.00 H new ATOM 0 HB1 ALA C 228 103.768 0.652 -0.386 1.00 0.00 H new ATOM 0 HB2 ALA C 228 102.506 1.873 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA C 228 102.127 0.144 -0.850 1.00 0.00 H new ATOM 1491 N VAL C 229 103.132 -1.421 -3.145 1.00 0.00 N ATOM 1492 CA VAL C 229 103.606 -2.788 -3.630 1.00 0.00 C ATOM 1493 C VAL C 229 104.059 -2.668 -5.118 1.00 0.00 C ATOM 1494 O VAL C 229 104.965 -3.363 -5.555 1.00 0.00 O ATOM 1495 CB VAL C 229 102.459 -3.883 -3.398 1.00 0.00 C ATOM 1496 CG1 VAL C 229 101.102 -3.464 -4.115 1.00 0.00 C ATOM 1497 CG2 VAL C 229 102.931 -5.346 -3.867 1.00 0.00 C ATOM 0 H VAL C 229 102.129 -1.377 -2.963 1.00 0.00 H new ATOM 0 HA VAL C 229 104.468 -3.127 -3.055 1.00 0.00 H new ATOM 0 HB VAL C 229 102.270 -3.927 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL C 229 100.346 -4.229 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL C 229 100.757 -2.512 -3.713 1.00 0.00 H new ATOM 0 HG13 VAL C 229 101.273 -3.364 -5.187 1.00 0.00 H new ATOM 0 HG21 VAL C 229 102.126 -6.061 -3.694 1.00 0.00 H new ATOM 0 HG22 VAL C 229 103.176 -5.326 -4.929 1.00 0.00 H new ATOM 0 HG23 VAL C 229 103.811 -5.645 -3.297 1.00 0.00 H new ATOM 1507 N PHE C 230 103.375 -1.779 -5.893 1.00 0.00 N ATOM 1508 CA PHE C 230 103.680 -1.550 -7.381 1.00 0.00 C ATOM 1509 C PHE C 230 105.135 -1.006 -7.565 1.00 0.00 C ATOM 1510 O PHE C 230 105.866 -1.455 -8.436 1.00 0.00 O ATOM 1511 CB PHE C 230 102.602 -0.532 -7.983 1.00 0.00 C ATOM 1512 CG PHE C 230 102.387 -0.713 -9.551 1.00 0.00 C ATOM 1513 CD1 PHE C 230 101.176 -1.288 -10.079 1.00 0.00 C ATOM 1514 CD2 PHE C 230 103.397 -0.298 -10.472 1.00 0.00 C ATOM 1515 CE1 PHE C 230 100.999 -1.435 -11.470 1.00 0.00 C ATOM 1516 CE2 PHE C 230 103.203 -0.454 -11.866 1.00 0.00 C ATOM 1517 CZ PHE C 230 102.009 -1.021 -12.363 1.00 0.00 C ATOM 0 H PHE C 230 102.612 -1.203 -5.539 1.00 0.00 H new ATOM 0 HA PHE C 230 103.614 -2.496 -7.919 1.00 0.00 H new ATOM 0 HB2 PHE C 230 101.650 -0.675 -7.472 1.00 0.00 H new ATOM 0 HB3 PHE C 230 102.922 0.490 -7.781 1.00 0.00 H new ATOM 0 HD1 PHE C 230 100.397 -1.609 -9.403 1.00 0.00 H new ATOM 0 HD2 PHE C 230 104.314 0.137 -10.103 1.00 0.00 H new ATOM 0 HE1 PHE C 230 100.086 -1.866 -11.853 1.00 0.00 H new ATOM 0 HE2 PHE C 230 103.973 -0.137 -12.554 1.00 0.00 H new ATOM 0 HZ PHE C 230 101.869 -1.138 -13.428 1.00 0.00 H new ATOM 1527 N VAL C 231 105.533 -0.036 -6.689 1.00 0.00 N ATOM 1528 CA VAL C 231 106.937 0.584 -6.706 1.00 0.00 C ATOM 1529 C VAL C 231 107.985 -0.478 -6.256 1.00 0.00 C ATOM 1530 O VAL C 231 109.115 -0.471 -6.726 1.00 0.00 O ATOM 1531 CB VAL C 231 106.944 1.897 -5.780 1.00 0.00 C ATOM 1532 CG1 VAL C 231 108.416 2.526 -5.610 1.00 0.00 C ATOM 1533 CG2 VAL C 231 105.955 3.009 -6.391 1.00 0.00 C ATOM 0 H VAL C 231 104.926 0.344 -5.963 1.00 0.00 H new ATOM 0 HA VAL C 231 107.211 0.893 -7.715 1.00 0.00 H new ATOM 0 HB VAL C 231 106.601 1.589 -4.792 1.00 0.00 H new ATOM 0 HG11 VAL C 231 108.363 3.411 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL C 231 109.076 1.789 -5.151 1.00 0.00 H new ATOM 0 HG13 VAL C 231 108.808 2.804 -6.588 1.00 0.00 H new ATOM 0 HG21 VAL C 231 105.967 3.895 -5.756 1.00 0.00 H new ATOM 0 HG22 VAL C 231 106.285 3.277 -7.395 1.00 0.00 H new ATOM 0 HG23 VAL C 231 104.942 2.609 -6.437 1.00 0.00 H new ATOM 1543 N CYS C 232 107.589 -1.367 -5.307 1.00 0.00 N ATOM 1544 CA CYS C 232 108.507 -2.449 -4.736 1.00 0.00 C ATOM 1545 C CYS C 232 108.925 -3.471 -5.834 1.00 0.00 C ATOM 1546 O CYS C 232 109.984 -4.078 -5.747 1.00 0.00 O ATOM 1547 CB CYS C 232 107.782 -3.164 -3.532 1.00 0.00 C ATOM 1548 SG CYS C 232 108.908 -4.304 -2.660 1.00 0.00 S ATOM 0 H CYS C 232 106.650 -1.375 -4.908 1.00 0.00 H new ATOM 0 HA CYS C 232 109.423 -1.983 -4.372 1.00 0.00 H new ATOM 0 HB2 CYS C 232 107.408 -2.415 -2.834 1.00 0.00 H new ATOM 0 HB3 CYS C 232 106.918 -3.716 -3.901 1.00 0.00 H new ATOM 0 HG CYS C 232 109.837 -4.705 -3.476 1.00 0.00 H new ATOM 1554 N LYS C 233 108.052 -3.641 -6.864 1.00 0.00 N ATOM 1555 CA LYS C 233 108.294 -4.607 -8.027 1.00 0.00 C ATOM 1556 C LYS C 233 109.559 -4.209 -8.821 1.00 0.00 C ATOM 1557 O LYS C 233 110.229 -5.066 -9.362 1.00 0.00 O ATOM 1558 CB LYS C 233 107.001 -4.635 -8.961 1.00 0.00 C ATOM 1559 CG LYS C 233 107.052 -5.791 -10.071 1.00 0.00 C ATOM 1560 CD LYS C 233 105.790 -5.770 -11.059 1.00 0.00 C ATOM 1561 CE LYS C 233 104.415 -6.080 -10.329 1.00 0.00 C ATOM 1562 NZ LYS C 233 104.536 -7.326 -9.517 1.00 0.00 N ATOM 0 H LYS C 233 107.170 -3.134 -6.934 1.00 0.00 H new ATOM 0 HA LYS C 233 108.467 -5.610 -7.636 1.00 0.00 H new ATOM 0 HB2 LYS C 233 106.115 -4.774 -8.341 1.00 0.00 H new ATOM 0 HB3 LYS C 233 106.896 -3.669 -9.455 1.00 0.00 H new ATOM 0 HG2 LYS C 233 107.966 -5.685 -10.656 1.00 0.00 H new ATOM 0 HG3 LYS C 233 107.102 -6.761 -9.575 1.00 0.00 H new ATOM 0 HD2 LYS C 233 105.727 -4.792 -11.536 1.00 0.00 H new ATOM 0 HD3 LYS C 233 105.946 -6.502 -11.851 1.00 0.00 H new ATOM 0 HE2 LYS C 233 104.138 -5.244 -9.687 1.00 0.00 H new ATOM 0 HE3 LYS C 233 103.620 -6.193 -11.066 1.00 0.00 H new ATOM 0 HZ1 LYS C 233 103.597 -7.605 -9.167 1.00 0.00 H new ATOM 0 HZ2 LYS C 233 104.926 -8.088 -10.107 1.00 0.00 H new ATOM 0 HZ3 LYS C 233 105.169 -7.154 -8.710 1.00 0.00 H new