USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 386 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 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= -0.0389 (180deg=-0.301) USER MOD Single : B 113 TYR OH : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 127 TYR OH : rot 180:sc= 0 USER MOD Single : B 131 LYS NZ :NH3+ 160:sc= -0.0398 (180deg=-0.352) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 10 12.351 9.077 -6.560 1.00 0.00 N ATOM 137 CA ILE A 10 13.101 10.254 -6.980 1.00 0.00 C ATOM 138 C ILE A 10 12.871 10.554 -8.458 1.00 0.00 C ATOM 139 O ILE A 10 12.423 11.636 -8.836 1.00 0.00 O ATOM 140 CB ILE A 10 14.610 10.078 -6.733 1.00 0.00 C ATOM 141 CG1 ILE A 10 14.968 10.503 -5.307 1.00 0.00 C ATOM 142 CG2 ILE A 10 15.411 10.880 -7.748 1.00 0.00 C ATOM 143 CD1 ILE A 10 15.352 9.348 -4.410 1.00 0.00 C ATOM 0 HA ILE A 10 12.738 11.089 -6.381 1.00 0.00 H new ATOM 0 HB ILE A 10 14.862 9.024 -6.852 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.794 11.213 -5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.118 11.026 -4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 10 16.476 10.745 -7.560 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.174 10.534 -8.754 1.00 0.00 H new ATOM 0 HG23 ILE A 10 15.158 11.936 -7.658 1.00 0.00 H new ATOM 0 HD11 ILE A 10 15.593 9.724 -3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.519 8.648 -4.341 1.00 0.00 H new ATOM 0 HD13 ILE A 10 16.221 8.838 -4.825 1.00 0.00 H new ATOM 155 N PRO A 11 13.184 9.571 -9.316 1.00 0.00 N ATOM 156 CA PRO A 11 13.017 9.704 -10.767 1.00 0.00 C ATOM 157 C PRO A 11 11.550 9.733 -11.182 1.00 0.00 C ATOM 158 O PRO A 11 11.193 10.338 -12.193 1.00 0.00 O ATOM 159 CB PRO A 11 13.704 8.452 -11.319 1.00 0.00 C ATOM 160 CG PRO A 11 13.632 7.460 -10.211 1.00 0.00 C ATOM 161 CD PRO A 11 13.723 8.254 -8.937 1.00 0.00 C ATOM 0 HA PRO A 11 13.436 10.638 -11.141 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.199 8.085 -12.212 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.737 8.658 -11.599 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.701 6.895 -10.253 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.446 6.738 -10.280 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.141 7.797 -8.136 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.751 8.328 -8.582 1.00 0.00 H new ATOM 169 N VAL A 12 10.704 9.077 -10.395 1.00 0.00 N ATOM 170 CA VAL A 12 9.274 9.029 -10.680 1.00 0.00 C ATOM 171 C VAL A 12 8.658 10.422 -10.628 1.00 0.00 C ATOM 172 O VAL A 12 8.139 10.920 -11.628 1.00 0.00 O ATOM 173 CB VAL A 12 8.535 8.115 -9.686 1.00 0.00 C ATOM 174 CG1 VAL A 12 7.040 8.121 -9.966 1.00 0.00 C ATOM 175 CG2 VAL A 12 9.091 6.700 -9.749 1.00 0.00 C ATOM 0 H VAL A 12 10.984 8.571 -9.555 1.00 0.00 H new ATOM 0 HA VAL A 12 9.164 8.623 -11.686 1.00 0.00 H new ATOM 0 HB VAL A 12 8.694 8.499 -8.678 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.534 7.469 -9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.655 9.136 -9.866 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.858 7.762 -10.979 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.557 6.067 -9.040 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.964 6.304 -10.756 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.151 6.714 -9.496 1.00 0.00 H new ATOM 185 N TYR A 13 8.717 11.046 -9.457 1.00 0.00 N ATOM 186 CA TYR A 13 8.162 12.382 -9.274 1.00 0.00 C ATOM 187 C TYR A 13 8.911 13.405 -10.123 1.00 0.00 C ATOM 188 O TYR A 13 8.305 14.288 -10.730 1.00 0.00 O ATOM 189 CB TYR A 13 8.223 12.784 -7.799 1.00 0.00 C ATOM 190 CG TYR A 13 7.066 12.257 -6.979 1.00 0.00 C ATOM 191 CD1 TYR A 13 6.724 10.911 -7.012 1.00 0.00 C ATOM 192 CD2 TYR A 13 6.319 13.104 -6.172 1.00 0.00 C ATOM 193 CE1 TYR A 13 5.669 10.424 -6.266 1.00 0.00 C ATOM 194 CE2 TYR A 13 5.263 12.626 -5.420 1.00 0.00 C ATOM 195 CZ TYR A 13 4.940 11.286 -5.471 1.00 0.00 C ATOM 196 OH TYR A 13 3.890 10.805 -4.724 1.00 0.00 O ATOM 0 H TYR A 13 9.144 10.648 -8.620 1.00 0.00 H new ATOM 0 HA TYR A 13 7.121 12.363 -9.596 1.00 0.00 H new ATOM 0 HB2 TYR A 13 9.157 12.420 -7.370 1.00 0.00 H new ATOM 0 HB3 TYR A 13 8.242 13.872 -7.728 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.293 10.234 -7.632 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.567 14.154 -6.131 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.416 9.375 -6.304 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.693 13.298 -4.795 1.00 0.00 H new ATOM 0 HH TYR A 13 3.483 11.540 -4.220 1.00 0.00 H new ATOM 206 N ALA A 14 10.233 13.277 -10.161 1.00 0.00 N ATOM 207 CA ALA A 14 11.066 14.187 -10.937 1.00 0.00 C ATOM 208 C ALA A 14 10.568 14.296 -12.374 1.00 0.00 C ATOM 209 O ALA A 14 10.332 15.395 -12.877 1.00 0.00 O ATOM 210 CB ALA A 14 12.516 13.726 -10.912 1.00 0.00 C ATOM 0 H ALA A 14 10.750 12.552 -9.664 1.00 0.00 H new ATOM 0 HA ALA A 14 11.003 15.176 -10.482 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.127 14.415 -11.496 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.874 13.706 -9.883 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.587 12.726 -11.340 1.00 0.00 H new ATOM 216 N SER A 15 10.413 13.151 -13.031 1.00 0.00 N ATOM 217 CA SER A 15 9.948 13.119 -14.412 1.00 0.00 C ATOM 218 C SER A 15 8.539 13.695 -14.524 1.00 0.00 C ATOM 219 O SER A 15 8.292 14.612 -15.309 1.00 0.00 O ATOM 220 CB SER A 15 9.968 11.685 -14.947 1.00 0.00 C ATOM 221 OG SER A 15 11.276 11.308 -15.341 1.00 0.00 O ATOM 0 H SER A 15 10.603 12.233 -12.629 1.00 0.00 H new ATOM 0 HA SER A 15 10.622 13.732 -15.010 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.604 11.002 -14.180 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.290 11.600 -15.796 1.00 0.00 H new ATOM 0 HG SER A 15 11.264 10.388 -15.678 1.00 0.00 H new ATOM 227 N ILE A 16 7.619 13.151 -13.735 1.00 0.00 N ATOM 228 CA ILE A 16 6.236 13.610 -13.743 1.00 0.00 C ATOM 229 C ILE A 16 6.160 15.127 -13.599 1.00 0.00 C ATOM 230 O ILE A 16 5.398 15.791 -14.302 1.00 0.00 O ATOM 231 CB ILE A 16 5.419 12.957 -12.614 1.00 0.00 C ATOM 232 CG1 ILE A 16 5.350 11.442 -12.816 1.00 0.00 C ATOM 233 CG2 ILE A 16 4.019 13.553 -12.561 1.00 0.00 C ATOM 234 CD1 ILE A 16 4.849 10.693 -11.602 1.00 0.00 C ATOM 0 H ILE A 16 7.807 12.391 -13.081 1.00 0.00 H new ATOM 0 HA ILE A 16 5.812 13.316 -14.703 1.00 0.00 H new ATOM 0 HB ILE A 16 5.915 13.156 -11.664 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.697 11.226 -13.661 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.342 11.073 -13.077 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.453 13.081 -11.758 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.087 14.625 -12.376 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.514 13.380 -13.511 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.826 9.625 -11.817 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.515 10.879 -10.759 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.844 11.034 -11.353 1.00 0.00 H new ATOM 246 N LEU A 17 6.956 15.669 -12.684 1.00 0.00 N ATOM 247 CA LEU A 17 6.981 17.108 -12.447 1.00 0.00 C ATOM 248 C LEU A 17 7.471 17.855 -13.685 1.00 0.00 C ATOM 249 O LEU A 17 6.982 18.940 -14.001 1.00 0.00 O ATOM 250 CB LEU A 17 7.880 17.433 -11.253 1.00 0.00 C ATOM 251 CG LEU A 17 7.168 17.648 -9.917 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.295 18.892 -9.971 1.00 0.00 C ATOM 253 CD2 LEU A 17 6.337 16.426 -9.553 1.00 0.00 C ATOM 0 H LEU A 17 7.593 15.134 -12.094 1.00 0.00 H new ATOM 0 HA LEU A 17 5.964 17.433 -12.227 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.598 16.622 -11.133 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.450 18.332 -11.487 1.00 0.00 H new ATOM 0 HG LEU A 17 7.923 17.793 -9.144 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.796 19.029 -9.011 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.915 19.763 -10.185 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.547 18.778 -10.755 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.837 16.597 -8.599 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.590 16.250 -10.327 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.987 15.555 -9.471 1.00 0.00 H new ATOM 265 N ALA A 18 8.437 17.266 -14.381 1.00 0.00 N ATOM 266 CA ALA A 18 8.989 17.874 -15.586 1.00 0.00 C ATOM 267 C ALA A 18 7.923 18.019 -16.665 1.00 0.00 C ATOM 268 O ALA A 18 7.651 19.123 -17.138 1.00 0.00 O ATOM 269 CB ALA A 18 10.158 17.049 -16.104 1.00 0.00 C ATOM 0 H ALA A 18 8.854 16.369 -14.132 1.00 0.00 H new ATOM 0 HA ALA A 18 9.347 18.871 -15.330 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.561 17.514 -17.004 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.935 17.001 -15.341 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.816 16.041 -16.338 1.00 0.00 H new ATOM 275 N ALA A 19 7.320 16.899 -17.051 1.00 0.00 N ATOM 276 CA ALA A 19 6.283 16.904 -18.074 1.00 0.00 C ATOM 277 C ALA A 19 5.206 17.937 -17.760 1.00 0.00 C ATOM 278 O ALA A 19 4.790 18.699 -18.632 1.00 0.00 O ATOM 279 CB ALA A 19 5.665 15.519 -18.205 1.00 0.00 C ATOM 0 H ALA A 19 7.532 15.977 -16.670 1.00 0.00 H new ATOM 0 HA ALA A 19 6.745 17.176 -19.023 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.892 15.537 -18.973 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.436 14.801 -18.484 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.224 15.226 -17.252 1.00 0.00 H new ATOM 285 N VAL A 20 4.759 17.958 -16.509 1.00 0.00 N ATOM 286 CA VAL A 20 3.731 18.899 -16.080 1.00 0.00 C ATOM 287 C VAL A 20 4.186 20.340 -16.280 1.00 0.00 C ATOM 288 O VAL A 20 3.512 21.129 -16.942 1.00 0.00 O ATOM 289 CB VAL A 20 3.363 18.690 -14.599 1.00 0.00 C ATOM 290 CG1 VAL A 20 2.282 19.673 -14.173 1.00 0.00 C ATOM 291 CG2 VAL A 20 2.915 17.256 -14.359 1.00 0.00 C ATOM 0 H VAL A 20 5.093 17.334 -15.774 1.00 0.00 H new ATOM 0 HA VAL A 20 2.852 18.710 -16.696 1.00 0.00 H new ATOM 0 HB VAL A 20 4.249 18.876 -13.993 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.035 19.510 -13.124 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.644 20.692 -14.307 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.392 19.521 -14.783 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.659 17.126 -13.308 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.042 17.040 -14.975 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.723 16.573 -14.623 1.00 0.00 H new ATOM 301 N VAL A 21 5.336 20.677 -15.705 1.00 0.00 N ATOM 302 CA VAL A 21 5.885 22.023 -15.822 1.00 0.00 C ATOM 303 C VAL A 21 6.075 22.414 -17.283 1.00 0.00 C ATOM 304 O VAL A 21 5.766 23.537 -17.682 1.00 0.00 O ATOM 305 CB VAL A 21 7.233 22.145 -15.089 1.00 0.00 C ATOM 306 CG1 VAL A 21 7.814 23.540 -15.268 1.00 0.00 C ATOM 307 CG2 VAL A 21 7.071 21.812 -13.614 1.00 0.00 C ATOM 0 H VAL A 21 5.906 20.036 -15.153 1.00 0.00 H new ATOM 0 HA VAL A 21 5.166 22.699 -15.359 1.00 0.00 H new ATOM 0 HB VAL A 21 7.929 21.428 -15.525 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.767 23.607 -14.743 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.970 23.736 -16.329 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.122 24.277 -14.861 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.034 21.904 -13.112 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.359 22.502 -13.161 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.703 20.791 -13.510 1.00 0.00 H new ATOM 317 N VAL A 22 6.585 21.479 -18.078 1.00 0.00 N ATOM 318 CA VAL A 22 6.816 21.725 -19.498 1.00 0.00 C ATOM 319 C VAL A 22 5.504 21.982 -20.230 1.00 0.00 C ATOM 320 O VAL A 22 5.418 22.870 -21.077 1.00 0.00 O ATOM 321 CB VAL A 22 7.539 20.539 -20.162 1.00 0.00 C ATOM 322 CG1 VAL A 22 7.755 20.808 -21.644 1.00 0.00 C ATOM 323 CG2 VAL A 22 8.861 20.261 -19.463 1.00 0.00 C ATOM 0 H VAL A 22 6.846 20.544 -17.764 1.00 0.00 H new ATOM 0 HA VAL A 22 7.448 22.611 -19.569 1.00 0.00 H new ATOM 0 HB VAL A 22 6.911 19.653 -20.066 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.267 19.959 -22.097 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.791 20.953 -22.132 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.362 21.705 -21.766 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.358 19.420 -19.946 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.498 21.143 -19.525 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.676 20.021 -18.416 1.00 0.00 H new ATOM 333 N GLY A 23 4.482 21.199 -19.898 1.00 0.00 N ATOM 334 CA GLY A 23 3.188 21.357 -20.534 1.00 0.00 C ATOM 335 C GLY A 23 2.587 22.728 -20.290 1.00 0.00 C ATOM 336 O GLY A 23 2.031 23.342 -21.203 1.00 0.00 O ATOM 0 H GLY A 23 4.528 20.457 -19.199 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.291 21.194 -21.607 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.507 20.593 -20.160 1.00 0.00 H new ATOM 340 N LEU A 24 2.695 23.208 -19.056 1.00 0.00 N ATOM 341 CA LEU A 24 2.155 24.515 -18.694 1.00 0.00 C ATOM 342 C LEU A 24 2.991 25.637 -19.303 1.00 0.00 C ATOM 343 O LEU A 24 2.457 26.562 -19.913 1.00 0.00 O ATOM 344 CB LEU A 24 2.109 24.665 -17.174 1.00 0.00 C ATOM 345 CG LEU A 24 0.723 24.569 -16.532 1.00 0.00 C ATOM 346 CD1 LEU A 24 0.738 23.579 -15.376 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.258 25.938 -16.058 1.00 0.00 C ATOM 0 H LEU A 24 3.151 22.713 -18.290 1.00 0.00 H new ATOM 0 HA LEU A 24 1.142 24.586 -19.091 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.746 23.898 -16.734 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.544 25.629 -16.911 1.00 0.00 H new ATOM 0 HG LEU A 24 0.020 24.209 -17.283 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.256 23.524 -14.931 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.026 22.594 -15.744 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.454 23.909 -14.624 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.729 25.850 -15.604 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.962 26.327 -15.322 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.208 26.619 -16.907 1.00 0.00 H new ATOM 359 N VAL A 25 4.307 25.546 -19.133 1.00 0.00 N ATOM 360 CA VAL A 25 5.218 26.551 -19.667 1.00 0.00 C ATOM 361 C VAL A 25 5.145 26.604 -21.189 1.00 0.00 C ATOM 362 O VAL A 25 4.847 27.646 -21.771 1.00 0.00 O ATOM 363 CB VAL A 25 6.672 26.273 -19.242 1.00 0.00 C ATOM 364 CG1 VAL A 25 7.611 27.306 -19.845 1.00 0.00 C ATOM 365 CG2 VAL A 25 6.788 26.254 -17.725 1.00 0.00 C ATOM 0 H VAL A 25 4.765 24.786 -18.630 1.00 0.00 H new ATOM 0 HA VAL A 25 4.906 27.512 -19.257 1.00 0.00 H new ATOM 0 HB VAL A 25 6.962 25.292 -19.618 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.634 27.094 -19.534 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.547 27.265 -20.932 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.326 28.301 -19.502 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.822 26.056 -17.442 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.480 27.220 -17.324 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.145 25.472 -17.321 1.00 0.00 H new ATOM 375 N ALA A 26 5.423 25.472 -21.829 1.00 0.00 N ATOM 376 CA ALA A 26 5.387 25.389 -23.283 1.00 0.00 C ATOM 377 C ALA A 26 4.065 25.916 -23.832 1.00 0.00 C ATOM 378 O ALA A 26 4.046 26.813 -24.675 1.00 0.00 O ATOM 379 CB ALA A 26 5.612 23.953 -23.736 1.00 0.00 C ATOM 0 H ALA A 26 5.675 24.601 -21.363 1.00 0.00 H new ATOM 0 HA ALA A 26 6.189 26.014 -23.676 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.582 23.906 -24.825 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.584 23.609 -23.384 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.830 23.315 -23.324 1.00 0.00 H new ATOM 385 N TYR A 27 2.964 25.354 -23.348 1.00 0.00 N ATOM 386 CA TYR A 27 1.637 25.766 -23.792 1.00 0.00 C ATOM 387 C TYR A 27 1.476 27.280 -23.695 1.00 0.00 C ATOM 388 O TYR A 27 1.372 27.971 -24.709 1.00 0.00 O ATOM 389 CB TYR A 27 0.558 25.072 -22.959 1.00 0.00 C ATOM 390 CG TYR A 27 -0.845 25.301 -23.473 1.00 0.00 C ATOM 391 CD1 TYR A 27 -1.219 24.873 -24.741 1.00 0.00 C ATOM 392 CD2 TYR A 27 -1.797 25.943 -22.690 1.00 0.00 C ATOM 393 CE1 TYR A 27 -2.500 25.081 -25.214 1.00 0.00 C ATOM 394 CE2 TYR A 27 -3.080 26.154 -23.155 1.00 0.00 C ATOM 395 CZ TYR A 27 -3.427 25.721 -24.418 1.00 0.00 C ATOM 396 OH TYR A 27 -4.705 25.928 -24.886 1.00 0.00 O ATOM 0 H TYR A 27 2.963 24.612 -22.648 1.00 0.00 H new ATOM 0 HA TYR A 27 1.524 25.473 -24.836 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.759 24.001 -22.940 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.621 25.426 -21.930 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.497 24.370 -25.367 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.529 26.283 -21.701 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.775 24.744 -26.203 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.807 26.655 -22.534 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.233 26.391 -24.202 1.00 0.00 H new ATOM 406 N ILE A 28 1.455 27.788 -22.467 1.00 0.00 N ATOM 407 CA ILE A 28 1.308 29.220 -22.236 1.00 0.00 C ATOM 408 C ILE A 28 2.301 30.017 -23.075 1.00 0.00 C ATOM 409 O ILE A 28 1.912 30.876 -23.866 1.00 0.00 O ATOM 410 CB ILE A 28 1.508 29.574 -20.751 1.00 0.00 C ATOM 411 CG1 ILE A 28 0.466 28.857 -19.888 1.00 0.00 C ATOM 412 CG2 ILE A 28 1.425 31.080 -20.549 1.00 0.00 C ATOM 413 CD1 ILE A 28 0.945 28.563 -18.484 1.00 0.00 C ATOM 0 H ILE A 28 1.538 27.230 -21.617 1.00 0.00 H new ATOM 0 HA ILE A 28 0.292 29.484 -22.531 1.00 0.00 H new ATOM 0 HB ILE A 28 2.499 29.240 -20.444 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.434 29.469 -19.836 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.187 27.921 -20.372 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.568 31.314 -19.494 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.201 31.569 -21.138 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.446 31.437 -20.870 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.156 28.055 -17.929 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.828 27.925 -18.527 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.197 29.497 -17.982 1.00 0.00 H new ATOM 425 N ALA A 29 3.585 29.725 -22.899 1.00 0.00 N ATOM 426 CA ALA A 29 4.634 30.410 -23.642 1.00 0.00 C ATOM 427 C ALA A 29 4.296 30.485 -25.128 1.00 0.00 C ATOM 428 O ALA A 29 4.161 31.572 -25.690 1.00 0.00 O ATOM 429 CB ALA A 29 5.970 29.711 -23.438 1.00 0.00 C ATOM 0 H ALA A 29 3.924 29.017 -22.247 1.00 0.00 H new ATOM 0 HA ALA A 29 4.708 31.428 -23.261 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.744 30.234 -23.999 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.225 29.715 -22.378 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.900 28.682 -23.790 1.00 0.00 H new ATOM 435 N PHE A 30 4.159 29.323 -25.758 1.00 0.00 N ATOM 436 CA PHE A 30 3.839 29.257 -27.178 1.00 0.00 C ATOM 437 C PHE A 30 2.518 29.963 -27.471 1.00 0.00 C ATOM 438 O PHE A 30 2.284 30.432 -28.585 1.00 0.00 O ATOM 439 CB PHE A 30 3.765 27.800 -27.640 1.00 0.00 C ATOM 440 CG PHE A 30 5.106 27.204 -27.962 1.00 0.00 C ATOM 441 CD1 PHE A 30 5.878 27.719 -28.990 1.00 0.00 C ATOM 442 CD2 PHE A 30 5.593 26.129 -27.237 1.00 0.00 C ATOM 443 CE1 PHE A 30 7.112 27.174 -29.290 1.00 0.00 C ATOM 444 CE2 PHE A 30 6.826 25.580 -27.531 1.00 0.00 C ATOM 445 CZ PHE A 30 7.587 26.102 -28.560 1.00 0.00 C ATOM 0 H PHE A 30 4.265 28.414 -25.307 1.00 0.00 H new ATOM 0 HA PHE A 30 4.632 29.764 -27.727 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.289 27.204 -26.861 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.128 27.739 -28.522 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.511 28.557 -29.564 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.002 25.715 -26.433 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.704 27.586 -30.094 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.195 24.743 -26.957 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.550 25.673 -28.793 1.00 0.00 H new ATOM 455 N LYS A 31 1.655 30.033 -26.462 1.00 0.00 N ATOM 456 CA LYS A 31 0.358 30.681 -26.608 1.00 0.00 C ATOM 457 C LYS A 31 0.519 32.184 -26.810 1.00 0.00 C ATOM 458 O LYS A 31 -0.028 32.756 -27.753 1.00 0.00 O ATOM 459 CB LYS A 31 -0.511 30.411 -25.377 1.00 0.00 C ATOM 460 CG LYS A 31 -1.798 29.668 -25.693 1.00 0.00 C ATOM 461 CD LYS A 31 -2.660 30.438 -26.680 1.00 0.00 C ATOM 462 CE LYS A 31 -4.084 29.906 -26.710 1.00 0.00 C ATOM 463 NZ LYS A 31 -4.813 30.201 -25.446 1.00 0.00 N1+ ATOM 0 H LYS A 31 1.832 29.648 -25.534 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.131 30.265 -27.489 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.065 29.832 -24.656 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.757 31.360 -24.901 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.561 28.687 -26.104 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.358 29.501 -24.773 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.671 31.494 -26.409 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.224 30.369 -27.677 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.619 30.349 -27.550 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.066 28.829 -26.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.837 30.123 -25.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.527 29.521 -24.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.585 31.165 -25.131 1.00 0.00 H new ATOM 477 N ARG A 32 1.274 32.818 -25.919 1.00 0.00 N ATOM 478 CA ARG A 32 1.509 34.255 -26.000 1.00 0.00 C ATOM 479 C ARG A 32 2.428 34.591 -27.171 1.00 0.00 C ATOM 480 O ARG A 32 2.309 35.654 -27.780 1.00 0.00 O ATOM 481 CB ARG A 32 2.119 34.768 -24.695 1.00 0.00 C ATOM 482 CG ARG A 32 1.101 35.378 -23.744 1.00 0.00 C ATOM 483 CD ARG A 32 1.523 35.207 -22.293 1.00 0.00 C ATOM 484 NE ARG A 32 1.464 36.466 -21.555 1.00 0.00 N ATOM 485 CZ ARG A 32 2.331 37.458 -21.722 1.00 0.00 C ATOM 486 NH1 ARG A 32 3.318 37.339 -22.599 1.00 0.00 N1+ ATOM 487 NH2 ARG A 32 2.211 38.573 -21.013 1.00 0.00 N ATOM 0 H ARG A 32 1.734 32.359 -25.132 1.00 0.00 H new ATOM 0 HA ARG A 32 0.549 34.746 -26.162 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.625 33.944 -24.192 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.879 35.514 -24.928 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.982 36.438 -23.967 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.129 34.909 -23.899 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.876 34.474 -21.811 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.538 34.811 -22.255 1.00 0.00 H new ATOM 0 HE ARG A 32 0.715 36.590 -20.873 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.413 36.484 -23.147 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.983 38.102 -22.725 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.452 38.669 -20.338 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.878 39.334 -21.142 1.00 0.00 H new ATOM 789 N ILE B 110 -10.553 11.024 -9.816 1.00 0.00 N ATOM 790 CA ILE B 110 -11.000 11.339 -11.167 1.00 0.00 C ATOM 791 C ILE B 110 -10.379 12.642 -11.662 1.00 0.00 C ATOM 792 O ILE B 110 -9.701 12.684 -12.690 1.00 0.00 O ATOM 793 CB ILE B 110 -12.534 11.457 -11.240 1.00 0.00 C ATOM 794 CG1 ILE B 110 -13.161 10.083 -11.483 1.00 0.00 C ATOM 795 CG2 ILE B 110 -12.940 12.432 -12.335 1.00 0.00 C ATOM 796 CD1 ILE B 110 -13.908 9.538 -10.286 1.00 0.00 C ATOM 0 HA ILE B 110 -10.675 10.517 -11.805 1.00 0.00 H new ATOM 0 HB ILE B 110 -12.900 11.840 -10.287 1.00 0.00 H new ATOM 0 HG12 ILE B 110 -13.846 10.150 -12.328 1.00 0.00 H new ATOM 0 HG13 ILE B 110 -12.377 9.379 -11.763 1.00 0.00 H new ATOM 0 HG21 ILE B 110 -14.027 12.504 -12.373 1.00 0.00 H new ATOM 0 HG22 ILE B 110 -12.519 13.414 -12.122 1.00 0.00 H new ATOM 0 HG23 ILE B 110 -12.566 12.077 -13.295 1.00 0.00 H new ATOM 0 HD11 ILE B 110 -14.326 8.562 -10.531 1.00 0.00 H new ATOM 0 HD12 ILE B 110 -13.223 9.438 -9.444 1.00 0.00 H new ATOM 0 HD13 ILE B 110 -14.715 10.221 -10.019 1.00 0.00 H new ATOM 808 N PRO B 111 -10.611 13.730 -10.914 1.00 0.00 N ATOM 809 CA PRO B 111 -10.080 15.053 -11.255 1.00 0.00 C ATOM 810 C PRO B 111 -8.569 15.134 -11.078 1.00 0.00 C ATOM 811 O PRO B 111 -7.893 15.901 -11.766 1.00 0.00 O ATOM 812 CB PRO B 111 -10.785 15.984 -10.266 1.00 0.00 C ATOM 813 CG PRO B 111 -11.127 15.115 -9.106 1.00 0.00 C ATOM 814 CD PRO B 111 -11.409 13.753 -9.677 1.00 0.00 C ATOM 0 HA PRO B 111 -10.257 15.306 -12.300 1.00 0.00 H new ATOM 0 HB2 PRO B 111 -10.137 16.807 -9.966 1.00 0.00 H new ATOM 0 HB3 PRO B 111 -11.679 16.426 -10.707 1.00 0.00 H new ATOM 0 HG2 PRO B 111 -10.304 15.076 -8.392 1.00 0.00 H new ATOM 0 HG3 PRO B 111 -11.995 15.501 -8.572 1.00 0.00 H new ATOM 0 HD2 PRO B 111 -11.110 12.960 -8.991 1.00 0.00 H new ATOM 0 HD3 PRO B 111 -12.471 13.615 -9.881 1.00 0.00 H new ATOM 822 N VAL B 112 -8.041 14.339 -10.153 1.00 0.00 N ATOM 823 CA VAL B 112 -6.608 14.321 -9.886 1.00 0.00 C ATOM 824 C VAL B 112 -5.832 13.805 -11.093 1.00 0.00 C ATOM 825 O VAL B 112 -5.034 14.530 -11.688 1.00 0.00 O ATOM 826 CB VAL B 112 -6.276 13.445 -8.664 1.00 0.00 C ATOM 827 CG1 VAL B 112 -4.774 13.403 -8.429 1.00 0.00 C ATOM 828 CG2 VAL B 112 -7.002 13.958 -7.429 1.00 0.00 C ATOM 0 H VAL B 112 -8.585 13.698 -9.575 1.00 0.00 H new ATOM 0 HA VAL B 112 -6.311 15.349 -9.678 1.00 0.00 H new ATOM 0 HB VAL B 112 -6.617 12.429 -8.863 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -4.559 12.779 -7.561 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -4.280 12.987 -9.307 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -4.405 14.413 -8.250 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -6.756 13.328 -6.574 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -6.693 14.983 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -8.078 13.931 -7.602 1.00 0.00 H new ATOM 838 N TYR B 113 -6.072 12.548 -11.450 1.00 0.00 N ATOM 839 CA TYR B 113 -5.394 11.934 -12.585 1.00 0.00 C ATOM 840 C TYR B 113 -5.741 12.656 -13.884 1.00 0.00 C ATOM 841 O TYR B 113 -4.889 12.838 -14.753 1.00 0.00 O ATOM 842 CB TYR B 113 -5.773 10.456 -12.694 1.00 0.00 C ATOM 843 CG TYR B 113 -4.944 9.552 -11.808 1.00 0.00 C ATOM 844 CD1 TYR B 113 -4.769 9.839 -10.460 1.00 0.00 C ATOM 845 CD2 TYR B 113 -4.339 8.411 -12.320 1.00 0.00 C ATOM 846 CE1 TYR B 113 -4.013 9.017 -9.648 1.00 0.00 C ATOM 847 CE2 TYR B 113 -3.582 7.582 -11.513 1.00 0.00 C ATOM 848 CZ TYR B 113 -3.422 7.890 -10.179 1.00 0.00 C ATOM 849 OH TYR B 113 -2.669 7.067 -9.372 1.00 0.00 O ATOM 0 H TYR B 113 -6.731 11.935 -10.970 1.00 0.00 H new ATOM 0 HA TYR B 113 -4.320 12.016 -12.421 1.00 0.00 H new ATOM 0 HB2 TYR B 113 -6.825 10.339 -12.435 1.00 0.00 H new ATOM 0 HB3 TYR B 113 -5.662 10.136 -13.730 1.00 0.00 H new ATOM 0 HD1 TYR B 113 -5.232 10.720 -10.040 1.00 0.00 H new ATOM 0 HD2 TYR B 113 -4.462 8.168 -13.365 1.00 0.00 H new ATOM 0 HE1 TYR B 113 -3.885 9.256 -8.602 1.00 0.00 H new ATOM 0 HE2 TYR B 113 -3.119 6.698 -11.926 1.00 0.00 H new ATOM 0 HH TYR B 113 -2.324 6.317 -9.900 1.00 0.00 H new ATOM 859 N ALA B 114 -7.000 13.065 -14.007 1.00 0.00 N ATOM 860 CA ALA B 114 -7.462 13.770 -15.196 1.00 0.00 C ATOM 861 C ALA B 114 -6.568 14.966 -15.507 1.00 0.00 C ATOM 862 O ALA B 114 -6.046 15.091 -16.615 1.00 0.00 O ATOM 863 CB ALA B 114 -8.904 14.219 -15.017 1.00 0.00 C ATOM 0 H ALA B 114 -7.718 12.920 -13.297 1.00 0.00 H new ATOM 0 HA ALA B 114 -7.410 13.081 -16.039 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -9.235 14.744 -15.913 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -9.538 13.348 -14.851 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -8.973 14.887 -14.158 1.00 0.00 H new ATOM 869 N SER B 115 -6.396 15.843 -14.523 1.00 0.00 N ATOM 870 CA SER B 115 -5.569 17.032 -14.694 1.00 0.00 C ATOM 871 C SER B 115 -4.115 16.648 -14.952 1.00 0.00 C ATOM 872 O SER B 115 -3.514 17.078 -15.938 1.00 0.00 O ATOM 873 CB SER B 115 -5.660 17.924 -13.455 1.00 0.00 C ATOM 874 OG SER B 115 -6.843 18.704 -13.475 1.00 0.00 O ATOM 0 H SER B 115 -6.818 15.753 -13.599 1.00 0.00 H new ATOM 0 HA SER B 115 -5.941 17.583 -15.558 1.00 0.00 H new ATOM 0 HB2 SER B 115 -5.642 17.307 -12.557 1.00 0.00 H new ATOM 0 HB3 SER B 115 -4.790 18.579 -13.409 1.00 0.00 H new ATOM 0 HG SER B 115 -6.879 19.264 -12.672 1.00 0.00 H new ATOM 880 N ILE B 116 -3.555 15.839 -14.060 1.00 0.00 N ATOM 881 CA ILE B 116 -2.172 15.398 -14.192 1.00 0.00 C ATOM 882 C ILE B 116 -1.899 14.854 -15.590 1.00 0.00 C ATOM 883 O ILE B 116 -0.874 15.164 -16.199 1.00 0.00 O ATOM 884 CB ILE B 116 -1.826 14.312 -13.155 1.00 0.00 C ATOM 885 CG1 ILE B 116 -1.954 14.871 -11.736 1.00 0.00 C ATOM 886 CG2 ILE B 116 -0.422 13.777 -13.395 1.00 0.00 C ATOM 887 CD1 ILE B 116 -1.946 13.806 -10.663 1.00 0.00 C ATOM 0 H ILE B 116 -4.037 15.475 -13.238 1.00 0.00 H new ATOM 0 HA ILE B 116 -1.544 16.272 -14.016 1.00 0.00 H new ATOM 0 HB ILE B 116 -2.531 13.488 -13.266 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -1.134 15.566 -11.553 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -2.879 15.443 -11.662 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -0.193 13.011 -12.654 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -0.363 13.345 -14.394 1.00 0.00 H new ATOM 0 HG23 ILE B 116 0.297 14.591 -13.309 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -2.040 14.275 -9.684 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -2.782 13.124 -10.821 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -1.010 13.249 -10.710 1.00 0.00 H new ATOM 899 N LEU B 117 -2.822 14.044 -16.094 1.00 0.00 N ATOM 900 CA LEU B 117 -2.684 13.460 -17.424 1.00 0.00 C ATOM 901 C LEU B 117 -2.645 14.545 -18.495 1.00 0.00 C ATOM 902 O LEU B 117 -1.850 14.477 -19.432 1.00 0.00 O ATOM 903 CB LEU B 117 -3.836 12.493 -17.700 1.00 0.00 C ATOM 904 CG LEU B 117 -3.532 11.008 -17.497 1.00 0.00 C ATOM 905 CD1 LEU B 117 -2.523 10.525 -18.527 1.00 0.00 C ATOM 906 CD2 LEU B 117 -3.018 10.757 -16.087 1.00 0.00 C ATOM 0 H LEU B 117 -3.675 13.776 -15.602 1.00 0.00 H new ATOM 0 HA LEU B 117 -1.743 12.911 -17.457 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -4.672 12.763 -17.055 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -4.167 12.638 -18.729 1.00 0.00 H new ATOM 0 HG LEU B 117 -4.456 10.446 -17.631 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -2.319 9.466 -18.367 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -2.928 10.669 -19.529 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -1.598 11.093 -18.424 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -2.807 9.695 -15.960 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -2.105 11.330 -15.925 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -3.773 11.065 -15.364 1.00 0.00 H new ATOM 918 N ALA B 118 -3.509 15.544 -18.349 1.00 0.00 N ATOM 919 CA ALA B 118 -3.571 16.645 -19.301 1.00 0.00 C ATOM 920 C ALA B 118 -2.223 17.348 -19.417 1.00 0.00 C ATOM 921 O ALA B 118 -1.718 17.565 -20.518 1.00 0.00 O ATOM 922 CB ALA B 118 -4.651 17.636 -18.893 1.00 0.00 C ATOM 0 H ALA B 118 -4.176 15.613 -17.580 1.00 0.00 H new ATOM 0 HA ALA B 118 -3.822 16.233 -20.278 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -4.686 18.453 -19.613 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -5.617 17.132 -18.869 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -4.425 18.034 -17.904 1.00 0.00 H new ATOM 928 N ALA B 119 -1.645 17.701 -18.274 1.00 0.00 N ATOM 929 CA ALA B 119 -0.354 18.378 -18.248 1.00 0.00 C ATOM 930 C ALA B 119 0.719 17.542 -18.938 1.00 0.00 C ATOM 931 O ALA B 119 1.556 18.069 -19.670 1.00 0.00 O ATOM 932 CB ALA B 119 0.053 18.684 -16.814 1.00 0.00 C ATOM 0 H ALA B 119 -2.050 17.530 -17.354 1.00 0.00 H new ATOM 0 HA ALA B 119 -0.453 19.316 -18.794 1.00 0.00 H new ATOM 0 HB1 ALA B 119 1.019 19.189 -16.810 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -0.696 19.328 -16.353 1.00 0.00 H new ATOM 0 HB3 ALA B 119 0.128 17.754 -16.251 1.00 0.00 H new ATOM 938 N VAL B 120 0.688 16.234 -18.697 1.00 0.00 N ATOM 939 CA VAL B 120 1.659 15.325 -19.295 1.00 0.00 C ATOM 940 C VAL B 120 1.411 15.164 -20.791 1.00 0.00 C ATOM 941 O VAL B 120 2.352 15.069 -21.580 1.00 0.00 O ATOM 942 CB VAL B 120 1.614 13.938 -18.627 1.00 0.00 C ATOM 943 CG1 VAL B 120 1.352 12.855 -19.662 1.00 0.00 C ATOM 944 CG2 VAL B 120 2.907 13.668 -17.874 1.00 0.00 C ATOM 0 H VAL B 120 0.002 15.781 -18.093 1.00 0.00 H new ATOM 0 HA VAL B 120 2.644 15.765 -19.137 1.00 0.00 H new ATOM 0 HB VAL B 120 0.794 13.925 -17.909 1.00 0.00 H new ATOM 0 HG11 VAL B 120 1.324 11.882 -19.171 1.00 0.00 H new ATOM 0 HG12 VAL B 120 0.396 13.043 -20.151 1.00 0.00 H new ATOM 0 HG13 VAL B 120 2.148 12.863 -20.406 1.00 0.00 H new ATOM 0 HG21 VAL B 120 2.858 12.684 -17.408 1.00 0.00 H new ATOM 0 HG22 VAL B 120 3.746 13.699 -18.569 1.00 0.00 H new ATOM 0 HG23 VAL B 120 3.045 14.427 -17.104 1.00 0.00 H new ATOM 954 N VAL B 121 0.139 15.135 -21.176 1.00 0.00 N ATOM 955 CA VAL B 121 -0.233 14.988 -22.578 1.00 0.00 C ATOM 956 C VAL B 121 0.129 16.236 -23.376 1.00 0.00 C ATOM 957 O VAL B 121 0.603 16.146 -24.509 1.00 0.00 O ATOM 958 CB VAL B 121 -1.740 14.710 -22.733 1.00 0.00 C ATOM 959 CG1 VAL B 121 -2.136 14.716 -24.201 1.00 0.00 C ATOM 960 CG2 VAL B 121 -2.108 13.388 -22.077 1.00 0.00 C ATOM 0 H VAL B 121 -0.652 15.211 -20.536 1.00 0.00 H new ATOM 0 HA VAL B 121 0.327 14.137 -22.967 1.00 0.00 H new ATOM 0 HB VAL B 121 -2.292 15.504 -22.230 1.00 0.00 H new ATOM 0 HG11 VAL B 121 -3.204 14.518 -24.291 1.00 0.00 H new ATOM 0 HG12 VAL B 121 -1.910 15.690 -24.635 1.00 0.00 H new ATOM 0 HG13 VAL B 121 -1.578 13.944 -24.731 1.00 0.00 H new ATOM 0 HG21 VAL B 121 -3.176 13.208 -22.196 1.00 0.00 H new ATOM 0 HG22 VAL B 121 -1.549 12.580 -22.548 1.00 0.00 H new ATOM 0 HG23 VAL B 121 -1.863 13.428 -21.016 1.00 0.00 H new ATOM 970 N VAL B 122 -0.099 17.400 -22.778 1.00 0.00 N ATOM 971 CA VAL B 122 0.204 18.668 -23.432 1.00 0.00 C ATOM 972 C VAL B 122 1.709 18.889 -23.531 1.00 0.00 C ATOM 973 O VAL B 122 2.215 19.339 -24.558 1.00 0.00 O ATOM 974 CB VAL B 122 -0.430 19.853 -22.681 1.00 0.00 C ATOM 975 CG1 VAL B 122 -0.151 21.159 -23.408 1.00 0.00 C ATOM 976 CG2 VAL B 122 -1.927 19.637 -22.512 1.00 0.00 C ATOM 0 H VAL B 122 -0.493 17.492 -21.842 1.00 0.00 H new ATOM 0 HA VAL B 122 -0.219 18.616 -24.435 1.00 0.00 H new ATOM 0 HB VAL B 122 0.020 19.914 -21.690 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -0.607 21.984 -22.861 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.926 21.317 -23.472 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -0.571 21.113 -24.413 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -2.359 20.484 -21.979 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -2.395 19.548 -23.493 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -2.101 18.724 -21.943 1.00 0.00 H new ATOM 986 N GLY B 123 2.421 18.570 -22.454 1.00 0.00 N ATOM 987 CA GLY B 123 3.862 18.741 -22.440 1.00 0.00 C ATOM 988 C GLY B 123 4.557 17.885 -23.480 1.00 0.00 C ATOM 989 O GLY B 123 5.495 18.336 -24.139 1.00 0.00 O ATOM 0 H GLY B 123 2.025 18.196 -21.591 1.00 0.00 H new ATOM 0 HA2 GLY B 123 4.102 19.789 -22.617 1.00 0.00 H new ATOM 0 HA3 GLY B 123 4.245 18.489 -21.451 1.00 0.00 H new ATOM 993 N LEU B 124 4.099 16.647 -23.628 1.00 0.00 N ATOM 994 CA LEU B 124 4.685 15.725 -24.594 1.00 0.00 C ATOM 995 C LEU B 124 4.355 16.149 -26.021 1.00 0.00 C ATOM 996 O LEU B 124 5.242 16.262 -26.868 1.00 0.00 O ATOM 997 CB LEU B 124 4.179 14.303 -24.343 1.00 0.00 C ATOM 998 CG LEU B 124 5.180 13.335 -23.712 1.00 0.00 C ATOM 999 CD1 LEU B 124 4.566 12.645 -22.503 1.00 0.00 C ATOM 1000 CD2 LEU B 124 5.648 12.309 -24.733 1.00 0.00 C ATOM 0 H LEU B 124 3.324 16.259 -23.091 1.00 0.00 H new ATOM 0 HA LEU B 124 5.768 15.747 -24.469 1.00 0.00 H new ATOM 0 HB2 LEU B 124 3.303 14.360 -23.697 1.00 0.00 H new ATOM 0 HB3 LEU B 124 3.848 13.884 -25.293 1.00 0.00 H new ATOM 0 HG LEU B 124 6.046 13.906 -23.378 1.00 0.00 H new ATOM 0 HD11 LEU B 124 5.293 11.960 -22.067 1.00 0.00 H new ATOM 0 HD12 LEU B 124 4.282 13.393 -21.762 1.00 0.00 H new ATOM 0 HD13 LEU B 124 3.682 12.087 -22.812 1.00 0.00 H new ATOM 0 HD21 LEU B 124 6.360 11.629 -24.265 1.00 0.00 H new ATOM 0 HD22 LEU B 124 4.791 11.743 -25.099 1.00 0.00 H new ATOM 0 HD23 LEU B 124 6.128 12.819 -25.568 1.00 0.00 H new ATOM 1012 N VAL B 125 3.073 16.387 -26.282 1.00 0.00 N ATOM 1013 CA VAL B 125 2.627 16.804 -27.606 1.00 0.00 C ATOM 1014 C VAL B 125 3.226 18.152 -27.989 1.00 0.00 C ATOM 1015 O VAL B 125 3.925 18.268 -28.994 1.00 0.00 O ATOM 1016 CB VAL B 125 1.090 16.898 -27.676 1.00 0.00 C ATOM 1017 CG1 VAL B 125 0.647 17.383 -29.047 1.00 0.00 C ATOM 1018 CG2 VAL B 125 0.459 15.554 -27.347 1.00 0.00 C ATOM 0 H VAL B 125 2.325 16.298 -25.594 1.00 0.00 H new ATOM 0 HA VAL B 125 2.970 16.045 -28.309 1.00 0.00 H new ATOM 0 HB VAL B 125 0.753 17.623 -26.935 1.00 0.00 H new ATOM 0 HG11 VAL B 125 -0.441 17.443 -29.078 1.00 0.00 H new ATOM 0 HG12 VAL B 125 1.070 18.369 -29.238 1.00 0.00 H new ATOM 0 HG13 VAL B 125 0.993 16.685 -29.809 1.00 0.00 H new ATOM 0 HG21 VAL B 125 -0.626 15.639 -27.401 1.00 0.00 H new ATOM 0 HG22 VAL B 125 0.801 14.807 -28.063 1.00 0.00 H new ATOM 0 HG23 VAL B 125 0.750 15.252 -26.341 1.00 0.00 H new ATOM 1028 N ALA B 126 2.946 19.169 -27.180 1.00 0.00 N ATOM 1029 CA ALA B 126 3.459 20.509 -27.433 1.00 0.00 C ATOM 1030 C ALA B 126 4.963 20.483 -27.688 1.00 0.00 C ATOM 1031 O ALA B 126 5.430 20.901 -28.746 1.00 0.00 O ATOM 1032 CB ALA B 126 3.136 21.428 -26.264 1.00 0.00 C ATOM 0 H ALA B 126 2.367 19.090 -26.344 1.00 0.00 H new ATOM 0 HA ALA B 126 2.972 20.894 -28.329 1.00 0.00 H new ATOM 0 HB1 ALA B 126 3.525 22.426 -26.467 1.00 0.00 H new ATOM 0 HB2 ALA B 126 2.056 21.480 -26.130 1.00 0.00 H new ATOM 0 HB3 ALA B 126 3.595 21.037 -25.356 1.00 0.00 H new ATOM 1038 N TYR B 127 5.714 19.988 -26.711 1.00 0.00 N ATOM 1039 CA TYR B 127 7.165 19.910 -26.827 1.00 0.00 C ATOM 1040 C TYR B 127 7.572 19.290 -28.160 1.00 0.00 C ATOM 1041 O TYR B 127 8.085 19.975 -29.046 1.00 0.00 O ATOM 1042 CB TYR B 127 7.748 19.093 -25.674 1.00 0.00 C ATOM 1043 CG TYR B 127 9.259 19.118 -25.615 1.00 0.00 C ATOM 1044 CD1 TYR B 127 9.946 20.310 -25.418 1.00 0.00 C ATOM 1045 CD2 TYR B 127 9.999 17.951 -25.754 1.00 0.00 C ATOM 1046 CE1 TYR B 127 11.326 20.338 -25.365 1.00 0.00 C ATOM 1047 CE2 TYR B 127 11.379 17.970 -25.701 1.00 0.00 C ATOM 1048 CZ TYR B 127 12.038 19.166 -25.507 1.00 0.00 C ATOM 1049 OH TYR B 127 13.412 19.189 -25.453 1.00 0.00 O ATOM 0 H TYR B 127 5.342 19.635 -25.830 1.00 0.00 H new ATOM 0 HA TYR B 127 7.562 20.924 -26.781 1.00 0.00 H new ATOM 0 HB2 TYR B 127 7.350 19.473 -24.733 1.00 0.00 H new ATOM 0 HB3 TYR B 127 7.414 18.060 -25.767 1.00 0.00 H new ATOM 0 HD1 TYR B 127 9.392 21.230 -25.304 1.00 0.00 H new ATOM 0 HD2 TYR B 127 9.487 17.013 -25.906 1.00 0.00 H new ATOM 0 HE1 TYR B 127 11.845 21.273 -25.213 1.00 0.00 H new ATOM 0 HE2 TYR B 127 11.939 17.053 -25.811 1.00 0.00 H new ATOM 0 HH TYR B 127 13.759 18.280 -25.569 1.00 0.00 H new ATOM 1059 N ILE B 128 7.337 17.989 -28.296 1.00 0.00 N ATOM 1060 CA ILE B 128 7.677 17.275 -29.521 1.00 0.00 C ATOM 1061 C ILE B 128 7.202 18.040 -30.752 1.00 0.00 C ATOM 1062 O ILE B 128 7.994 18.365 -31.637 1.00 0.00 O ATOM 1063 CB ILE B 128 7.062 15.863 -29.538 1.00 0.00 C ATOM 1064 CG1 ILE B 128 7.593 15.038 -28.364 1.00 0.00 C ATOM 1065 CG2 ILE B 128 7.364 15.170 -30.859 1.00 0.00 C ATOM 1066 CD1 ILE B 128 6.638 13.958 -27.905 1.00 0.00 C ATOM 0 H ILE B 128 6.913 17.408 -27.573 1.00 0.00 H new ATOM 0 HA ILE B 128 8.763 17.189 -29.546 1.00 0.00 H new ATOM 0 HB ILE B 128 5.980 15.952 -29.435 1.00 0.00 H new ATOM 0 HG12 ILE B 128 8.538 14.578 -28.652 1.00 0.00 H new ATOM 0 HG13 ILE B 128 7.804 15.705 -27.528 1.00 0.00 H new ATOM 0 HG21 ILE B 128 6.923 14.173 -30.856 1.00 0.00 H new ATOM 0 HG22 ILE B 128 6.942 15.751 -31.679 1.00 0.00 H new ATOM 0 HG23 ILE B 128 8.443 15.089 -30.989 1.00 0.00 H new ATOM 0 HD11 ILE B 128 7.079 13.413 -27.070 1.00 0.00 H new ATOM 0 HD12 ILE B 128 5.700 14.413 -27.586 1.00 0.00 H new ATOM 0 HD13 ILE B 128 6.446 13.269 -28.727 1.00 0.00 H new ATOM 1078 N ALA B 129 5.904 18.324 -30.801 1.00 0.00 N ATOM 1079 CA ALA B 129 5.325 19.055 -31.921 1.00 0.00 C ATOM 1080 C ALA B 129 6.165 20.276 -32.275 1.00 0.00 C ATOM 1081 O ALA B 129 6.741 20.352 -33.361 1.00 0.00 O ATOM 1082 CB ALA B 129 3.897 19.470 -31.597 1.00 0.00 C ATOM 0 H ALA B 129 5.235 18.059 -30.078 1.00 0.00 H new ATOM 0 HA ALA B 129 5.313 18.393 -32.787 1.00 0.00 H new ATOM 0 HB1 ALA B 129 3.476 20.015 -32.442 1.00 0.00 H new ATOM 0 HB2 ALA B 129 3.295 18.582 -31.402 1.00 0.00 H new ATOM 0 HB3 ALA B 129 3.895 20.110 -30.715 1.00 0.00 H new ATOM 1088 N PHE B 130 6.233 21.230 -31.353 1.00 0.00 N ATOM 1089 CA PHE B 130 7.003 22.449 -31.569 1.00 0.00 C ATOM 1090 C PHE B 130 8.460 22.124 -31.887 1.00 0.00 C ATOM 1091 O PHE B 130 9.160 22.913 -32.521 1.00 0.00 O ATOM 1092 CB PHE B 130 6.928 23.350 -30.334 1.00 0.00 C ATOM 1093 CG PHE B 130 5.673 24.172 -30.268 1.00 0.00 C ATOM 1094 CD1 PHE B 130 5.454 25.202 -31.169 1.00 0.00 C ATOM 1095 CD2 PHE B 130 4.712 23.917 -29.303 1.00 0.00 C ATOM 1096 CE1 PHE B 130 4.299 25.959 -31.111 1.00 0.00 C ATOM 1097 CE2 PHE B 130 3.555 24.671 -29.240 1.00 0.00 C ATOM 1098 CZ PHE B 130 3.350 25.694 -30.144 1.00 0.00 C ATOM 0 H PHE B 130 5.764 21.182 -30.449 1.00 0.00 H new ATOM 0 HA PHE B 130 6.572 22.974 -32.421 1.00 0.00 H new ATOM 0 HB2 PHE B 130 6.996 22.732 -29.439 1.00 0.00 H new ATOM 0 HB3 PHE B 130 7.790 24.017 -30.327 1.00 0.00 H new ATOM 0 HD1 PHE B 130 6.195 25.416 -31.925 1.00 0.00 H new ATOM 0 HD2 PHE B 130 4.869 23.120 -28.592 1.00 0.00 H new ATOM 0 HE1 PHE B 130 4.139 26.757 -31.821 1.00 0.00 H new ATOM 0 HE2 PHE B 130 2.813 24.460 -28.485 1.00 0.00 H new ATOM 0 HZ PHE B 130 2.448 26.286 -30.095 1.00 0.00 H new ATOM 1108 N LYS B 131 8.909 20.956 -31.440 1.00 0.00 N ATOM 1109 CA LYS B 131 10.281 20.523 -31.677 1.00 0.00 C ATOM 1110 C LYS B 131 10.504 20.201 -33.151 1.00 0.00 C ATOM 1111 O LYS B 131 11.436 20.710 -33.774 1.00 0.00 O ATOM 1112 CB LYS B 131 10.606 19.297 -30.821 1.00 0.00 C ATOM 1113 CG LYS B 131 11.718 19.534 -29.814 1.00 0.00 C ATOM 1114 CD LYS B 131 13.016 19.925 -30.500 1.00 0.00 C ATOM 1115 CE LYS B 131 14.206 19.782 -29.563 1.00 0.00 C ATOM 1116 NZ LYS B 131 14.480 18.358 -29.227 1.00 0.00 N1+ ATOM 0 H LYS B 131 8.343 20.292 -30.912 1.00 0.00 H new ATOM 0 HA LYS B 131 10.946 21.340 -31.398 1.00 0.00 H new ATOM 0 HB2 LYS B 131 9.706 18.987 -30.289 1.00 0.00 H new ATOM 0 HB3 LYS B 131 10.890 18.473 -31.475 1.00 0.00 H new ATOM 0 HG2 LYS B 131 11.421 20.320 -29.120 1.00 0.00 H new ATOM 0 HG3 LYS B 131 11.875 18.631 -29.224 1.00 0.00 H new ATOM 0 HD2 LYS B 131 13.167 19.299 -31.380 1.00 0.00 H new ATOM 0 HD3 LYS B 131 12.948 20.955 -30.849 1.00 0.00 H new ATOM 0 HE2 LYS B 131 15.089 20.222 -30.027 1.00 0.00 H new ATOM 0 HE3 LYS B 131 14.016 20.341 -28.647 1.00 0.00 H new ATOM 0 HZ1 LYS B 131 15.458 18.264 -28.885 1.00 0.00 H new ATOM 0 HZ2 LYS B 131 13.822 18.043 -28.486 1.00 0.00 H new ATOM 0 HZ3 LYS B 131 14.352 17.770 -30.075 1.00 0.00 H new ATOM 1130 N ARG B 132 9.642 19.353 -33.704 1.00 0.00 N ATOM 1131 CA ARG B 132 9.745 18.963 -35.104 1.00 0.00 C ATOM 1132 C ARG B 132 9.385 20.129 -36.021 1.00 0.00 C ATOM 1133 O ARG B 132 9.938 20.268 -37.112 1.00 0.00 O ATOM 1134 CB ARG B 132 8.830 17.773 -35.393 1.00 0.00 C ATOM 1135 CG ARG B 132 9.546 16.432 -35.358 1.00 0.00 C ATOM 1136 CD ARG B 132 8.613 15.315 -34.919 1.00 0.00 C ATOM 1137 NE ARG B 132 8.650 14.178 -35.836 1.00 0.00 N ATOM 1138 CZ ARG B 132 8.113 14.196 -37.050 1.00 0.00 C ATOM 1139 NH1 ARG B 132 7.499 15.286 -37.492 1.00 0.00 N1+ ATOM 1140 NH2 ARG B 132 8.188 13.122 -37.827 1.00 0.00 N ATOM 0 H ARG B 132 8.865 18.923 -33.203 1.00 0.00 H new ATOM 0 HA ARG B 132 10.778 18.674 -35.299 1.00 0.00 H new ATOM 0 HB2 ARG B 132 8.020 17.762 -34.663 1.00 0.00 H new ATOM 0 HB3 ARG B 132 8.373 17.906 -36.374 1.00 0.00 H new ATOM 0 HG2 ARG B 132 9.946 16.206 -36.346 1.00 0.00 H new ATOM 0 HG3 ARG B 132 10.394 16.489 -34.676 1.00 0.00 H new ATOM 0 HD2 ARG B 132 8.891 14.983 -33.919 1.00 0.00 H new ATOM 0 HD3 ARG B 132 7.594 15.697 -34.857 1.00 0.00 H new ATOM 0 HE ARG B 132 9.114 13.324 -35.527 1.00 0.00 H new ATOM 0 HH11 ARG B 132 7.439 16.113 -36.899 1.00 0.00 H new ATOM 0 HH12 ARG B 132 7.087 15.297 -38.425 1.00 0.00 H new ATOM 0 HH21 ARG B 132 8.659 12.282 -37.491 1.00 0.00 H new ATOM 0 HH22 ARG B 132 7.775 13.137 -38.759 1.00 0.00 H new