USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=6 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 -77:sc= 0.244 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 113 TYR OH : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot -74:sc= -0.0644 USER MOD Single : B 127 TYR OH : rot 180:sc= 0 USER MOD Single : B 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 10 10.944 9.450 -5.632 1.00 0.00 N ATOM 137 CA ILE A 10 11.831 10.465 -6.186 1.00 0.00 C ATOM 138 C ILE A 10 11.564 10.676 -7.673 1.00 0.00 C ATOM 139 O ILE A 10 11.261 11.780 -8.124 1.00 0.00 O ATOM 140 CB ILE A 10 13.311 10.087 -5.990 1.00 0.00 C ATOM 141 CG1 ILE A 10 13.812 10.583 -4.632 1.00 0.00 C ATOM 142 CG2 ILE A 10 14.158 10.663 -7.116 1.00 0.00 C ATOM 143 CD1 ILE A 10 14.807 9.651 -3.977 1.00 0.00 C ATOM 0 HA ILE A 10 11.627 11.391 -5.648 1.00 0.00 H new ATOM 0 HB ILE A 10 13.399 9.001 -6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.274 11.562 -4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.959 10.717 -3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.202 10.388 -6.964 1.00 0.00 H new ATOM 0 HG22 ILE A 10 13.813 10.265 -8.071 1.00 0.00 H new ATOM 0 HG23 ILE A 10 14.067 11.749 -7.121 1.00 0.00 H new ATOM 0 HD11 ILE A 10 15.118 10.067 -3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.343 8.678 -3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 10 15.678 9.536 -4.623 1.00 0.00 H new ATOM 155 N PRO A 11 11.678 9.591 -8.453 1.00 0.00 N ATOM 156 CA PRO A 11 11.450 9.631 -9.901 1.00 0.00 C ATOM 157 C PRO A 11 9.983 9.851 -10.251 1.00 0.00 C ATOM 158 O PRO A 11 9.660 10.368 -11.322 1.00 0.00 O ATOM 159 CB PRO A 11 11.910 8.250 -10.371 1.00 0.00 C ATOM 160 CG PRO A 11 11.754 7.372 -9.177 1.00 0.00 C ATOM 161 CD PRO A 11 12.035 8.243 -7.983 1.00 0.00 C ATOM 0 HA PRO A 11 11.982 10.456 -10.374 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.306 7.894 -11.206 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.945 8.273 -10.713 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.748 6.955 -9.128 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.446 6.531 -9.218 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.438 7.947 -7.120 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.081 8.186 -7.682 1.00 0.00 H new ATOM 169 N VAL A 12 9.096 9.457 -9.342 1.00 0.00 N ATOM 170 CA VAL A 12 7.662 9.614 -9.555 1.00 0.00 C ATOM 171 C VAL A 12 7.283 11.083 -9.691 1.00 0.00 C ATOM 172 O VAL A 12 6.787 11.515 -10.733 1.00 0.00 O ATOM 173 CB VAL A 12 6.853 8.990 -8.403 1.00 0.00 C ATOM 174 CG1 VAL A 12 5.363 9.227 -8.605 1.00 0.00 C ATOM 175 CG2 VAL A 12 7.153 7.503 -8.284 1.00 0.00 C ATOM 0 H VAL A 12 9.345 9.027 -8.451 1.00 0.00 H new ATOM 0 HA VAL A 12 7.421 9.094 -10.482 1.00 0.00 H new ATOM 0 HB VAL A 12 7.150 9.473 -7.472 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.808 8.779 -7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.166 10.299 -8.635 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.047 8.774 -9.544 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.572 7.079 -7.465 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.886 7.002 -9.215 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.216 7.361 -8.087 1.00 0.00 H new ATOM 185 N TYR A 13 7.519 11.849 -8.632 1.00 0.00 N ATOM 186 CA TYR A 13 7.202 13.273 -8.632 1.00 0.00 C ATOM 187 C TYR A 13 8.081 14.028 -9.623 1.00 0.00 C ATOM 188 O TYR A 13 7.610 14.906 -10.345 1.00 0.00 O ATOM 189 CB TYR A 13 7.378 13.856 -7.229 1.00 0.00 C ATOM 190 CG TYR A 13 6.176 13.653 -6.333 1.00 0.00 C ATOM 191 CD1 TYR A 13 5.601 12.397 -6.185 1.00 0.00 C ATOM 192 CD2 TYR A 13 5.619 14.716 -5.634 1.00 0.00 C ATOM 193 CE1 TYR A 13 4.502 12.207 -5.368 1.00 0.00 C ATOM 194 CE2 TYR A 13 4.522 14.534 -4.814 1.00 0.00 C ATOM 195 CZ TYR A 13 3.967 13.279 -4.685 1.00 0.00 C ATOM 196 OH TYR A 13 2.874 13.093 -3.869 1.00 0.00 O ATOM 0 H TYR A 13 7.929 11.508 -7.762 1.00 0.00 H new ATOM 0 HA TYR A 13 6.162 13.387 -8.938 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.250 13.399 -6.762 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.583 14.923 -7.311 1.00 0.00 H new ATOM 0 HD1 TYR A 13 6.019 11.555 -6.717 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.050 15.701 -5.733 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.065 11.225 -5.265 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.101 15.371 -4.277 1.00 0.00 H new ATOM 0 HH TYR A 13 2.622 13.947 -3.460 1.00 0.00 H new ATOM 206 N ALA A 14 9.363 13.679 -9.652 1.00 0.00 N ATOM 207 CA ALA A 14 10.310 14.321 -10.555 1.00 0.00 C ATOM 208 C ALA A 14 9.788 14.320 -11.988 1.00 0.00 C ATOM 209 O ALA A 14 9.745 15.362 -12.643 1.00 0.00 O ATOM 210 CB ALA A 14 11.661 13.626 -10.484 1.00 0.00 C ATOM 0 H ALA A 14 9.770 12.955 -9.060 1.00 0.00 H new ATOM 0 HA ALA A 14 10.430 15.357 -10.240 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.358 14.116 -11.164 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.046 13.682 -9.466 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.548 12.581 -10.772 1.00 0.00 H new ATOM 216 N SER A 15 9.392 13.145 -12.468 1.00 0.00 N ATOM 217 CA SER A 15 8.878 13.009 -13.826 1.00 0.00 C ATOM 218 C SER A 15 7.579 13.792 -13.995 1.00 0.00 C ATOM 219 O SER A 15 7.457 14.625 -14.892 1.00 0.00 O ATOM 220 CB SER A 15 8.646 11.535 -14.160 1.00 0.00 C ATOM 221 OG SER A 15 7.643 10.975 -13.331 1.00 0.00 O ATOM 0 H SER A 15 9.417 12.274 -11.937 1.00 0.00 H new ATOM 0 HA SER A 15 9.620 13.417 -14.513 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.354 11.438 -15.206 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.576 10.980 -14.036 1.00 0.00 H new ATOM 0 HG SER A 15 8.015 10.797 -12.442 1.00 0.00 H new ATOM 227 N ILE A 16 6.611 13.515 -13.127 1.00 0.00 N ATOM 228 CA ILE A 16 5.323 14.192 -13.180 1.00 0.00 C ATOM 229 C ILE A 16 5.499 15.705 -13.250 1.00 0.00 C ATOM 230 O ILE A 16 4.836 16.383 -14.037 1.00 0.00 O ATOM 231 CB ILE A 16 4.454 13.845 -11.956 1.00 0.00 C ATOM 232 CG1 ILE A 16 4.119 12.352 -11.948 1.00 0.00 C ATOM 233 CG2 ILE A 16 3.182 14.679 -11.955 1.00 0.00 C ATOM 234 CD1 ILE A 16 3.579 11.860 -10.624 1.00 0.00 C ATOM 0 H ILE A 16 6.695 12.826 -12.379 1.00 0.00 H new ATOM 0 HA ILE A 16 4.821 13.844 -14.083 1.00 0.00 H new ATOM 0 HB ILE A 16 5.017 14.077 -11.052 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.386 12.149 -12.728 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.016 11.786 -12.198 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.579 14.422 -11.084 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.441 15.737 -11.918 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.613 14.476 -12.863 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.364 10.794 -10.692 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.320 12.031 -9.843 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.664 12.400 -10.381 1.00 0.00 H new ATOM 246 N LEU A 17 6.397 16.230 -12.424 1.00 0.00 N ATOM 247 CA LEU A 17 6.663 17.664 -12.393 1.00 0.00 C ATOM 248 C LEU A 17 7.272 18.133 -13.711 1.00 0.00 C ATOM 249 O LEU A 17 7.001 19.241 -14.172 1.00 0.00 O ATOM 250 CB LEU A 17 7.602 18.003 -11.235 1.00 0.00 C ATOM 251 CG LEU A 17 6.933 18.482 -9.946 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.283 19.841 -10.154 1.00 0.00 C ATOM 253 CD2 LEU A 17 5.906 17.464 -9.470 1.00 0.00 C ATOM 0 H LEU A 17 6.954 15.684 -11.766 1.00 0.00 H new ATOM 0 HA LEU A 17 5.715 18.182 -12.247 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.197 17.119 -11.005 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.295 18.775 -11.570 1.00 0.00 H new ATOM 0 HG LEU A 17 7.699 18.584 -9.177 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.812 20.165 -9.226 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.042 20.566 -10.448 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.528 19.767 -10.937 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.439 17.820 -8.552 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.143 17.331 -10.237 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.399 16.511 -9.280 1.00 0.00 H new ATOM 265 N ALA A 18 8.095 17.281 -14.313 1.00 0.00 N ATOM 266 CA ALA A 18 8.738 17.606 -15.580 1.00 0.00 C ATOM 267 C ALA A 18 7.705 17.829 -16.679 1.00 0.00 C ATOM 268 O ALA A 18 7.724 18.854 -17.362 1.00 0.00 O ATOM 269 CB ALA A 18 9.706 16.502 -15.980 1.00 0.00 C ATOM 0 H ALA A 18 8.332 16.360 -13.944 1.00 0.00 H new ATOM 0 HA ALA A 18 9.296 18.533 -15.448 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.179 16.758 -16.928 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.471 16.392 -15.211 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.163 15.563 -16.088 1.00 0.00 H new ATOM 275 N ALA A 19 6.806 16.865 -16.844 1.00 0.00 N ATOM 276 CA ALA A 19 5.764 16.958 -17.860 1.00 0.00 C ATOM 277 C ALA A 19 4.904 18.199 -17.652 1.00 0.00 C ATOM 278 O ALA A 19 4.582 18.911 -18.603 1.00 0.00 O ATOM 279 CB ALA A 19 4.901 15.706 -17.846 1.00 0.00 C ATOM 0 H ALA A 19 6.778 16.011 -16.288 1.00 0.00 H new ATOM 0 HA ALA A 19 6.246 17.042 -18.834 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.127 15.789 -18.609 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.522 14.834 -18.052 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.435 15.597 -16.867 1.00 0.00 H new ATOM 285 N VAL A 20 4.533 18.454 -16.401 1.00 0.00 N ATOM 286 CA VAL A 20 3.708 19.610 -16.067 1.00 0.00 C ATOM 287 C VAL A 20 4.451 20.912 -16.345 1.00 0.00 C ATOM 288 O VAL A 20 4.021 21.722 -17.166 1.00 0.00 O ATOM 289 CB VAL A 20 3.277 19.583 -14.589 1.00 0.00 C ATOM 290 CG1 VAL A 20 2.351 20.750 -14.282 1.00 0.00 C ATOM 291 CG2 VAL A 20 2.606 18.259 -14.254 1.00 0.00 C ATOM 0 H VAL A 20 4.791 17.875 -15.602 1.00 0.00 H new ATOM 0 HA VAL A 20 2.820 19.559 -16.697 1.00 0.00 H new ATOM 0 HB VAL A 20 4.167 19.682 -13.967 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.057 20.715 -13.233 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.869 21.688 -14.482 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.463 20.685 -14.910 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.308 18.257 -13.206 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.725 18.129 -14.882 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.304 17.441 -14.434 1.00 0.00 H new ATOM 301 N VAL A 21 5.570 21.108 -15.654 1.00 0.00 N ATOM 302 CA VAL A 21 6.374 22.311 -15.827 1.00 0.00 C ATOM 303 C VAL A 21 6.610 22.607 -17.304 1.00 0.00 C ATOM 304 O VAL A 21 6.403 23.731 -17.763 1.00 0.00 O ATOM 305 CB VAL A 21 7.735 22.184 -15.117 1.00 0.00 C ATOM 306 CG1 VAL A 21 8.611 23.390 -15.420 1.00 0.00 C ATOM 307 CG2 VAL A 21 7.540 22.019 -13.617 1.00 0.00 C ATOM 0 H VAL A 21 5.940 20.449 -14.969 1.00 0.00 H new ATOM 0 HA VAL A 21 5.814 23.132 -15.379 1.00 0.00 H new ATOM 0 HB VAL A 21 8.240 21.295 -15.495 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.568 23.282 -14.910 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.779 23.457 -16.495 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.115 24.296 -15.073 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.512 21.931 -13.131 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.014 22.887 -13.221 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.954 21.120 -13.423 1.00 0.00 H new ATOM 317 N VAL A 22 7.043 21.591 -18.044 1.00 0.00 N ATOM 318 CA VAL A 22 7.306 21.742 -19.470 1.00 0.00 C ATOM 319 C VAL A 22 6.016 21.997 -20.242 1.00 0.00 C ATOM 320 O VAL A 22 5.967 22.851 -21.125 1.00 0.00 O ATOM 321 CB VAL A 22 7.999 20.494 -20.048 1.00 0.00 C ATOM 322 CG1 VAL A 22 8.236 20.657 -21.542 1.00 0.00 C ATOM 323 CG2 VAL A 22 9.307 20.227 -19.319 1.00 0.00 C ATOM 0 H VAL A 22 7.219 20.655 -17.679 1.00 0.00 H new ATOM 0 HA VAL A 22 7.969 22.600 -19.581 1.00 0.00 H new ATOM 0 HB VAL A 22 7.344 19.635 -19.901 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.726 19.765 -21.932 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.281 20.797 -22.049 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.870 21.526 -21.717 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.784 19.342 -19.740 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.969 21.085 -19.434 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.106 20.063 -18.260 1.00 0.00 H new ATOM 333 N GLY A 23 4.971 21.246 -19.903 1.00 0.00 N ATOM 334 CA GLY A 23 3.695 21.406 -20.573 1.00 0.00 C ATOM 335 C GLY A 23 3.120 22.799 -20.404 1.00 0.00 C ATOM 336 O GLY A 23 2.537 23.356 -21.336 1.00 0.00 O ATOM 0 H GLY A 23 4.987 20.530 -19.176 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.817 21.193 -21.635 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.988 20.675 -20.181 1.00 0.00 H new ATOM 340 N LEU A 24 3.285 23.365 -19.213 1.00 0.00 N ATOM 341 CA LEU A 24 2.778 24.702 -18.925 1.00 0.00 C ATOM 342 C LEU A 24 3.649 25.769 -19.581 1.00 0.00 C ATOM 343 O LEU A 24 3.155 26.619 -20.323 1.00 0.00 O ATOM 344 CB LEU A 24 2.722 24.931 -17.414 1.00 0.00 C ATOM 345 CG LEU A 24 1.337 24.838 -16.771 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.389 23.987 -15.512 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.801 26.228 -16.457 1.00 0.00 C ATOM 0 H LEU A 24 3.766 22.919 -18.432 1.00 0.00 H new ATOM 0 HA LEU A 24 1.772 24.779 -19.337 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.374 24.202 -16.932 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.134 25.917 -17.201 1.00 0.00 H new ATOM 0 HG LEU A 24 0.660 24.361 -17.479 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.395 23.932 -15.068 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.729 22.983 -15.765 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.080 24.435 -14.798 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.185 26.143 -16.000 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.478 26.732 -15.767 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.725 26.806 -17.378 1.00 0.00 H new ATOM 359 N VAL A 25 4.948 25.716 -19.306 1.00 0.00 N ATOM 360 CA VAL A 25 5.889 26.675 -19.871 1.00 0.00 C ATOM 361 C VAL A 25 5.843 26.657 -21.395 1.00 0.00 C ATOM 362 O VAL A 25 5.691 27.697 -22.034 1.00 0.00 O ATOM 363 CB VAL A 25 7.330 26.389 -19.409 1.00 0.00 C ATOM 364 CG1 VAL A 25 8.301 27.366 -20.051 1.00 0.00 C ATOM 365 CG2 VAL A 25 7.424 26.449 -17.892 1.00 0.00 C ATOM 0 H VAL A 25 5.373 25.019 -18.695 1.00 0.00 H new ATOM 0 HA VAL A 25 5.590 27.660 -19.512 1.00 0.00 H new ATOM 0 HB VAL A 25 7.602 25.383 -19.728 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.314 27.148 -19.712 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.252 27.268 -21.135 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.035 28.384 -19.766 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.449 26.245 -17.583 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.132 27.441 -17.548 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.758 25.704 -17.456 1.00 0.00 H new ATOM 375 N ALA A 26 5.975 25.467 -21.972 1.00 0.00 N ATOM 376 CA ALA A 26 5.945 25.311 -23.420 1.00 0.00 C ATOM 377 C ALA A 26 4.638 25.835 -24.002 1.00 0.00 C ATOM 378 O ALA A 26 4.639 26.608 -24.961 1.00 0.00 O ATOM 379 CB ALA A 26 6.147 23.852 -23.799 1.00 0.00 C ATOM 0 H ALA A 26 6.104 24.596 -21.457 1.00 0.00 H new ATOM 0 HA ALA A 26 6.761 25.900 -23.840 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.122 23.751 -24.884 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.112 23.509 -23.425 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.352 23.249 -23.360 1.00 0.00 H new ATOM 385 N TYR A 27 3.523 25.410 -23.418 1.00 0.00 N ATOM 386 CA TYR A 27 2.208 25.835 -23.881 1.00 0.00 C ATOM 387 C TYR A 27 2.056 27.349 -23.778 1.00 0.00 C ATOM 388 O TYR A 27 1.829 28.031 -24.778 1.00 0.00 O ATOM 389 CB TYR A 27 1.111 25.145 -23.068 1.00 0.00 C ATOM 390 CG TYR A 27 -0.258 25.762 -23.251 1.00 0.00 C ATOM 391 CD1 TYR A 27 -1.021 25.485 -24.378 1.00 0.00 C ATOM 392 CD2 TYR A 27 -0.787 26.622 -22.296 1.00 0.00 C ATOM 393 CE1 TYR A 27 -2.271 26.047 -24.550 1.00 0.00 C ATOM 394 CE2 TYR A 27 -2.036 27.187 -22.460 1.00 0.00 C ATOM 395 CZ TYR A 27 -2.775 26.898 -23.588 1.00 0.00 C ATOM 396 OH TYR A 27 -4.020 27.460 -23.754 1.00 0.00 O ATOM 0 H TYR A 27 3.504 24.771 -22.623 1.00 0.00 H new ATOM 0 HA TYR A 27 2.110 25.549 -24.928 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.067 24.093 -23.352 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.377 25.179 -22.012 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.630 24.819 -25.133 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.212 26.852 -21.411 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.851 25.821 -25.433 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.433 27.853 -21.708 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.225 28.033 -22.986 1.00 0.00 H new ATOM 406 N ILE A 28 2.184 27.869 -22.562 1.00 0.00 N ATOM 407 CA ILE A 28 2.062 29.302 -22.327 1.00 0.00 C ATOM 408 C ILE A 28 3.015 30.088 -23.222 1.00 0.00 C ATOM 409 O ILE A 28 2.603 31.011 -23.925 1.00 0.00 O ATOM 410 CB ILE A 28 2.347 29.658 -20.856 1.00 0.00 C ATOM 411 CG1 ILE A 28 1.368 28.930 -19.934 1.00 0.00 C ATOM 412 CG2 ILE A 28 2.261 31.162 -20.649 1.00 0.00 C ATOM 413 CD1 ILE A 28 1.953 28.584 -18.582 1.00 0.00 C ATOM 0 H ILE A 28 2.372 27.319 -21.724 1.00 0.00 H new ATOM 0 HA ILE A 28 1.034 29.575 -22.565 1.00 0.00 H new ATOM 0 HB ILE A 28 3.358 29.335 -20.608 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.485 29.553 -19.790 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.035 28.014 -20.422 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.465 31.398 -19.605 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.995 31.659 -21.283 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.261 31.509 -20.911 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.203 28.070 -17.982 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.818 27.935 -18.715 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.260 29.498 -18.074 1.00 0.00 H new ATOM 425 N ALA A 29 4.290 29.714 -23.192 1.00 0.00 N ATOM 426 CA ALA A 29 5.301 30.381 -24.003 1.00 0.00 C ATOM 427 C ALA A 29 4.833 30.535 -25.447 1.00 0.00 C ATOM 428 O ALA A 29 4.735 31.647 -25.963 1.00 0.00 O ATOM 429 CB ALA A 29 6.613 29.612 -23.950 1.00 0.00 C ATOM 0 H ALA A 29 4.647 28.953 -22.615 1.00 0.00 H new ATOM 0 HA ALA A 29 5.461 31.378 -23.592 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.358 30.122 -24.560 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.962 29.559 -22.919 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.459 28.603 -24.333 1.00 0.00 H new ATOM 435 N PHE A 30 4.546 29.410 -26.093 1.00 0.00 N ATOM 436 CA PHE A 30 4.090 29.419 -27.479 1.00 0.00 C ATOM 437 C PHE A 30 2.745 30.129 -27.604 1.00 0.00 C ATOM 438 O PHE A 30 2.390 30.627 -28.672 1.00 0.00 O ATOM 439 CB PHE A 30 3.976 27.989 -28.010 1.00 0.00 C ATOM 440 CG PHE A 30 5.256 27.460 -28.589 1.00 0.00 C ATOM 441 CD1 PHE A 30 5.719 27.917 -29.812 1.00 0.00 C ATOM 442 CD2 PHE A 30 5.997 26.505 -27.909 1.00 0.00 C ATOM 443 CE1 PHE A 30 6.898 27.432 -30.347 1.00 0.00 C ATOM 444 CE2 PHE A 30 7.176 26.018 -28.440 1.00 0.00 C ATOM 445 CZ PHE A 30 7.627 26.481 -29.660 1.00 0.00 C ATOM 0 H PHE A 30 4.621 28.481 -25.680 1.00 0.00 H new ATOM 0 HA PHE A 30 4.825 29.962 -28.074 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.655 27.334 -27.200 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.200 27.955 -28.774 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.153 28.660 -30.354 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.649 26.138 -26.955 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.249 27.796 -31.301 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.745 25.275 -27.901 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.548 26.100 -30.076 1.00 0.00 H new ATOM 455 N LYS A 31 2.000 30.171 -26.504 1.00 0.00 N ATOM 456 CA LYS A 31 0.695 30.820 -26.487 1.00 0.00 C ATOM 457 C LYS A 31 0.822 32.306 -26.810 1.00 0.00 C ATOM 458 O LYS A 31 0.129 32.821 -27.689 1.00 0.00 O ATOM 459 CB LYS A 31 0.029 30.640 -25.122 1.00 0.00 C ATOM 460 CG LYS A 31 -1.439 30.260 -25.206 1.00 0.00 C ATOM 461 CD LYS A 31 -2.233 31.283 -26.001 1.00 0.00 C ATOM 462 CE LYS A 31 -3.705 30.906 -26.081 1.00 0.00 C ATOM 463 NZ LYS A 31 -4.539 32.029 -26.592 1.00 0.00 N1+ ATOM 0 H LYS A 31 2.279 29.763 -25.612 1.00 0.00 H new ATOM 0 HA LYS A 31 0.075 30.351 -27.251 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.563 29.870 -24.565 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.124 31.567 -24.556 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.536 29.280 -25.672 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.853 30.177 -24.201 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.132 32.264 -25.537 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.821 31.363 -27.007 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.823 30.040 -26.733 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.059 30.612 -25.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.535 31.732 -26.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.447 32.847 -25.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.219 32.293 -27.545 1.00 0.00 H new ATOM 477 N ARG A 32 1.711 32.988 -26.096 1.00 0.00 N ATOM 478 CA ARG A 32 1.928 34.414 -26.307 1.00 0.00 C ATOM 479 C ARG A 32 2.934 34.650 -27.429 1.00 0.00 C ATOM 480 O ARG A 32 2.832 35.625 -28.173 1.00 0.00 O ATOM 481 CB ARG A 32 2.422 35.073 -25.017 1.00 0.00 C ATOM 482 CG ARG A 32 3.336 36.263 -25.253 1.00 0.00 C ATOM 483 CD ARG A 32 3.700 36.953 -23.947 1.00 0.00 C ATOM 484 NE ARG A 32 4.821 37.876 -24.110 1.00 0.00 N ATOM 485 CZ ARG A 32 5.355 38.567 -23.110 1.00 0.00 C ATOM 486 NH1 ARG A 32 4.874 38.440 -21.881 1.00 0.00 N1+ ATOM 487 NH2 ARG A 32 6.373 39.387 -23.337 1.00 0.00 N ATOM 0 H ARG A 32 2.293 32.576 -25.366 1.00 0.00 H new ATOM 0 HA ARG A 32 0.977 34.862 -26.595 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.561 35.397 -24.432 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.952 34.331 -24.420 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.244 35.932 -25.756 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.845 36.974 -25.917 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.834 37.497 -23.571 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.954 36.202 -23.199 1.00 0.00 H new ATOM 0 HE ARG A 32 5.215 37.996 -25.043 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.092 37.810 -21.702 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.286 38.972 -21.115 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.746 39.487 -24.281 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.782 39.917 -22.568 1.00 0.00 H new ATOM 789 N ILE B 110 -9.601 10.061 -9.693 1.00 0.00 N ATOM 790 CA ILE B 110 -10.154 10.523 -10.959 1.00 0.00 C ATOM 791 C ILE B 110 -9.541 11.856 -11.373 1.00 0.00 C ATOM 792 O ILE B 110 -8.956 11.991 -12.448 1.00 0.00 O ATOM 793 CB ILE B 110 -11.686 10.677 -10.880 1.00 0.00 C ATOM 794 CG1 ILE B 110 -12.372 9.354 -11.224 1.00 0.00 C ATOM 795 CG2 ILE B 110 -12.155 11.782 -11.816 1.00 0.00 C ATOM 796 CD1 ILE B 110 -13.613 9.087 -10.403 1.00 0.00 C ATOM 0 HA ILE B 110 -9.910 9.767 -11.705 1.00 0.00 H new ATOM 0 HB ILE B 110 -11.957 10.950 -9.860 1.00 0.00 H new ATOM 0 HG12 ILE B 110 -12.639 9.356 -12.281 1.00 0.00 H new ATOM 0 HG13 ILE B 110 -11.665 8.538 -11.075 1.00 0.00 H new ATOM 0 HG21 ILE B 110 -13.239 11.879 -11.750 1.00 0.00 H new ATOM 0 HG22 ILE B 110 -11.688 12.724 -11.530 1.00 0.00 H new ATOM 0 HG23 ILE B 110 -11.875 11.535 -12.840 1.00 0.00 H new ATOM 0 HD11 ILE B 110 -14.047 8.132 -10.700 1.00 0.00 H new ATOM 0 HD12 ILE B 110 -13.349 9.052 -9.346 1.00 0.00 H new ATOM 0 HD13 ILE B 110 -14.338 9.883 -10.570 1.00 0.00 H new ATOM 808 N PRO B 111 -9.674 12.866 -10.501 1.00 0.00 N ATOM 809 CA PRO B 111 -9.138 14.207 -10.753 1.00 0.00 C ATOM 810 C PRO B 111 -7.614 14.238 -10.707 1.00 0.00 C ATOM 811 O PRO B 111 -6.980 15.064 -11.365 1.00 0.00 O ATOM 812 CB PRO B 111 -9.725 15.044 -9.614 1.00 0.00 C ATOM 813 CG PRO B 111 -9.988 14.066 -8.522 1.00 0.00 C ATOM 814 CD PRO B 111 -10.361 12.776 -9.200 1.00 0.00 C ATOM 0 HA PRO B 111 -9.401 14.572 -11.746 1.00 0.00 H new ATOM 0 HB2 PRO B 111 -9.029 15.819 -9.292 1.00 0.00 H new ATOM 0 HB3 PRO B 111 -10.641 15.547 -9.924 1.00 0.00 H new ATOM 0 HG2 PRO B 111 -9.106 13.936 -7.894 1.00 0.00 H new ATOM 0 HG3 PRO B 111 -10.793 14.413 -7.874 1.00 0.00 H new ATOM 0 HD2 PRO B 111 -10.028 11.910 -8.628 1.00 0.00 H new ATOM 0 HD3 PRO B 111 -11.440 12.682 -9.321 1.00 0.00 H new ATOM 822 N VAL B 112 -7.031 13.334 -9.926 1.00 0.00 N ATOM 823 CA VAL B 112 -5.581 13.259 -9.795 1.00 0.00 C ATOM 824 C VAL B 112 -4.928 12.889 -11.122 1.00 0.00 C ATOM 825 O VAL B 112 -4.212 13.694 -11.719 1.00 0.00 O ATOM 826 CB VAL B 112 -5.166 12.228 -8.728 1.00 0.00 C ATOM 827 CG1 VAL B 112 -3.655 12.064 -8.702 1.00 0.00 C ATOM 828 CG2 VAL B 112 -5.690 12.639 -7.360 1.00 0.00 C ATOM 0 H VAL B 112 -7.541 12.644 -9.375 1.00 0.00 H new ATOM 0 HA VAL B 112 -5.240 14.247 -9.487 1.00 0.00 H new ATOM 0 HB VAL B 112 -5.606 11.265 -8.987 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -3.382 11.332 -7.942 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -3.309 11.721 -9.677 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -3.189 13.021 -8.468 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -5.388 11.900 -6.618 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -5.280 13.612 -7.091 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -6.778 12.699 -7.390 1.00 0.00 H new ATOM 838 N TYR B 113 -5.181 11.668 -11.581 1.00 0.00 N ATOM 839 CA TYR B 113 -4.616 11.192 -12.837 1.00 0.00 C ATOM 840 C TYR B 113 -5.078 12.057 -14.005 1.00 0.00 C ATOM 841 O TYR B 113 -4.318 12.319 -14.937 1.00 0.00 O ATOM 842 CB TYR B 113 -5.014 9.735 -13.079 1.00 0.00 C ATOM 843 CG TYR B 113 -4.145 8.739 -12.344 1.00 0.00 C ATOM 844 CD1 TYR B 113 -3.954 8.834 -10.971 1.00 0.00 C ATOM 845 CD2 TYR B 113 -3.514 7.704 -13.024 1.00 0.00 C ATOM 846 CE1 TYR B 113 -3.158 7.927 -10.297 1.00 0.00 C ATOM 847 CE2 TYR B 113 -2.719 6.791 -12.357 1.00 0.00 C ATOM 848 CZ TYR B 113 -2.544 6.908 -10.994 1.00 0.00 C ATOM 849 OH TYR B 113 -1.753 6.002 -10.325 1.00 0.00 O ATOM 0 H TYR B 113 -5.774 10.990 -11.102 1.00 0.00 H new ATOM 0 HA TYR B 113 -3.530 11.259 -12.766 1.00 0.00 H new ATOM 0 HB2 TYR B 113 -6.051 9.595 -12.773 1.00 0.00 H new ATOM 0 HB3 TYR B 113 -4.966 9.527 -14.148 1.00 0.00 H new ATOM 0 HD1 TYR B 113 -4.435 9.629 -10.421 1.00 0.00 H new ATOM 0 HD2 TYR B 113 -3.647 7.612 -14.092 1.00 0.00 H new ATOM 0 HE1 TYR B 113 -3.018 8.016 -9.230 1.00 0.00 H new ATOM 0 HE2 TYR B 113 -2.238 5.991 -12.900 1.00 0.00 H new ATOM 0 HH TYR B 113 -1.396 5.347 -10.961 1.00 0.00 H new ATOM 859 N ALA B 114 -6.330 12.498 -13.947 1.00 0.00 N ATOM 860 CA ALA B 114 -6.895 13.337 -14.998 1.00 0.00 C ATOM 861 C ALA B 114 -5.995 14.533 -15.288 1.00 0.00 C ATOM 862 O ALA B 114 -5.574 14.745 -16.425 1.00 0.00 O ATOM 863 CB ALA B 114 -8.289 13.804 -14.608 1.00 0.00 C ATOM 0 H ALA B 114 -6.973 12.289 -13.183 1.00 0.00 H new ATOM 0 HA ALA B 114 -6.966 12.740 -15.907 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -8.699 14.429 -15.401 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -8.934 12.938 -14.459 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -8.235 14.380 -13.684 1.00 0.00 H new ATOM 869 N SER B 115 -5.704 15.313 -14.251 1.00 0.00 N ATOM 870 CA SER B 115 -4.858 16.492 -14.396 1.00 0.00 C ATOM 871 C SER B 115 -3.437 16.096 -14.784 1.00 0.00 C ATOM 872 O SER B 115 -2.888 16.598 -15.767 1.00 0.00 O ATOM 873 CB SER B 115 -4.838 17.295 -13.094 1.00 0.00 C ATOM 874 OG SER B 115 -4.279 16.536 -12.035 1.00 0.00 O ATOM 0 H SER B 115 -6.041 15.150 -13.302 1.00 0.00 H new ATOM 0 HA SER B 115 -5.274 17.112 -15.190 1.00 0.00 H new ATOM 0 HB2 SER B 115 -4.260 18.208 -13.235 1.00 0.00 H new ATOM 0 HB3 SER B 115 -5.853 17.597 -12.833 1.00 0.00 H new ATOM 0 HG SER B 115 -4.921 15.853 -11.748 1.00 0.00 H new ATOM 880 N ILE B 116 -2.848 15.194 -14.008 1.00 0.00 N ATOM 881 CA ILE B 116 -1.491 14.730 -14.270 1.00 0.00 C ATOM 882 C ILE B 116 -1.316 14.344 -15.735 1.00 0.00 C ATOM 883 O ILE B 116 -0.338 14.729 -16.378 1.00 0.00 O ATOM 884 CB ILE B 116 -1.129 13.521 -13.387 1.00 0.00 C ATOM 885 CG1 ILE B 116 -1.153 13.917 -11.909 1.00 0.00 C ATOM 886 CG2 ILE B 116 0.238 12.975 -13.772 1.00 0.00 C ATOM 887 CD1 ILE B 116 -1.149 12.734 -10.966 1.00 0.00 C ATOM 0 H ILE B 116 -3.289 14.769 -13.192 1.00 0.00 H new ATOM 0 HA ILE B 116 -0.823 15.558 -14.031 1.00 0.00 H new ATOM 0 HB ILE B 116 -1.870 12.738 -13.547 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -0.288 14.545 -11.695 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -2.040 14.521 -11.717 1.00 0.00 H new ATOM 0 HG21 ILE B 116 0.480 12.121 -13.139 1.00 0.00 H new ATOM 0 HG22 ILE B 116 0.224 12.661 -14.816 1.00 0.00 H new ATOM 0 HG23 ILE B 116 0.991 13.751 -13.637 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -1.167 13.090 -9.936 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -2.028 12.117 -11.152 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -0.249 12.141 -11.130 1.00 0.00 H new ATOM 899 N LEU B 117 -2.271 13.584 -16.260 1.00 0.00 N ATOM 900 CA LEU B 117 -2.224 13.147 -17.651 1.00 0.00 C ATOM 901 C LEU B 117 -2.328 14.337 -18.599 1.00 0.00 C ATOM 902 O LEU B 117 -1.671 14.374 -19.640 1.00 0.00 O ATOM 903 CB LEU B 117 -3.354 12.156 -17.933 1.00 0.00 C ATOM 904 CG LEU B 117 -2.985 10.674 -17.840 1.00 0.00 C ATOM 905 CD1 LEU B 117 -2.037 10.288 -18.964 1.00 0.00 C ATOM 906 CD2 LEU B 117 -2.365 10.363 -16.486 1.00 0.00 C ATOM 0 H LEU B 117 -3.088 13.258 -15.743 1.00 0.00 H new ATOM 0 HA LEU B 117 -1.266 12.654 -17.819 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -4.166 12.352 -17.233 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -3.741 12.352 -18.933 1.00 0.00 H new ATOM 0 HG LEU B 117 -3.896 10.085 -17.944 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -1.786 9.231 -18.881 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -2.517 10.473 -19.925 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -1.127 10.884 -18.893 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -2.109 9.305 -16.438 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.464 10.961 -16.353 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -3.078 10.600 -15.696 1.00 0.00 H new ATOM 918 N ALA B 118 -3.155 15.310 -18.230 1.00 0.00 N ATOM 919 CA ALA B 118 -3.340 16.505 -19.045 1.00 0.00 C ATOM 920 C ALA B 118 -2.017 17.229 -19.268 1.00 0.00 C ATOM 921 O ALA B 118 -1.714 17.659 -20.380 1.00 0.00 O ATOM 922 CB ALA B 118 -4.351 17.435 -18.394 1.00 0.00 C ATOM 0 H ALA B 118 -3.707 15.294 -17.373 1.00 0.00 H new ATOM 0 HA ALA B 118 -3.721 16.196 -20.018 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -4.480 18.323 -19.013 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -5.307 16.921 -18.294 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -3.992 17.729 -17.408 1.00 0.00 H new ATOM 928 N ALA B 119 -1.234 17.362 -18.203 1.00 0.00 N ATOM 929 CA ALA B 119 0.056 18.033 -18.283 1.00 0.00 C ATOM 930 C ALA B 119 1.031 17.247 -19.153 1.00 0.00 C ATOM 931 O ALA B 119 1.704 17.813 -20.015 1.00 0.00 O ATOM 932 CB ALA B 119 0.634 18.234 -16.890 1.00 0.00 C ATOM 0 H ALA B 119 -1.471 17.013 -17.274 1.00 0.00 H new ATOM 0 HA ALA B 119 -0.098 19.008 -18.745 1.00 0.00 H new ATOM 0 HB1 ALA B 119 1.598 18.737 -16.965 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -0.048 18.844 -16.298 1.00 0.00 H new ATOM 0 HB3 ALA B 119 0.766 17.265 -16.408 1.00 0.00 H new ATOM 938 N VAL B 120 1.103 15.940 -18.922 1.00 0.00 N ATOM 939 CA VAL B 120 1.995 15.076 -19.686 1.00 0.00 C ATOM 940 C VAL B 120 1.604 15.048 -21.159 1.00 0.00 C ATOM 941 O VAL B 120 2.403 15.389 -22.031 1.00 0.00 O ATOM 942 CB VAL B 120 1.991 13.638 -19.135 1.00 0.00 C ATOM 943 CG1 VAL B 120 3.104 12.819 -19.770 1.00 0.00 C ATOM 944 CG2 VAL B 120 2.121 13.647 -17.620 1.00 0.00 C ATOM 0 H VAL B 120 0.554 15.456 -18.211 1.00 0.00 H new ATOM 0 HA VAL B 120 2.998 15.490 -19.589 1.00 0.00 H new ATOM 0 HB VAL B 120 1.039 13.172 -19.391 1.00 0.00 H new ATOM 0 HG11 VAL B 120 3.085 11.806 -19.368 1.00 0.00 H new ATOM 0 HG12 VAL B 120 2.959 12.784 -20.850 1.00 0.00 H new ATOM 0 HG13 VAL B 120 4.067 13.279 -19.548 1.00 0.00 H new ATOM 0 HG21 VAL B 120 2.116 12.622 -17.248 1.00 0.00 H new ATOM 0 HG22 VAL B 120 3.056 14.131 -17.338 1.00 0.00 H new ATOM 0 HG23 VAL B 120 1.284 14.194 -17.186 1.00 0.00 H new ATOM 954 N VAL B 121 0.370 14.636 -21.430 1.00 0.00 N ATOM 955 CA VAL B 121 -0.129 14.564 -22.798 1.00 0.00 C ATOM 956 C VAL B 121 0.184 15.843 -23.565 1.00 0.00 C ATOM 957 O VAL B 121 0.749 15.802 -24.658 1.00 0.00 O ATOM 958 CB VAL B 121 -1.649 14.317 -22.829 1.00 0.00 C ATOM 959 CG1 VAL B 121 -2.165 14.345 -24.259 1.00 0.00 C ATOM 960 CG2 VAL B 121 -1.989 12.996 -22.156 1.00 0.00 C ATOM 0 H VAL B 121 -0.303 14.347 -20.720 1.00 0.00 H new ATOM 0 HA VAL B 121 0.377 13.725 -23.276 1.00 0.00 H new ATOM 0 HB VAL B 121 -2.141 15.117 -22.275 1.00 0.00 H new ATOM 0 HG11 VAL B 121 -3.241 14.169 -24.261 1.00 0.00 H new ATOM 0 HG12 VAL B 121 -1.956 15.319 -24.702 1.00 0.00 H new ATOM 0 HG13 VAL B 121 -1.669 13.568 -24.840 1.00 0.00 H new ATOM 0 HG21 VAL B 121 -3.067 12.839 -22.187 1.00 0.00 H new ATOM 0 HG22 VAL B 121 -1.488 12.182 -22.679 1.00 0.00 H new ATOM 0 HG23 VAL B 121 -1.656 13.020 -21.118 1.00 0.00 H new ATOM 970 N VAL B 122 -0.188 16.980 -22.986 1.00 0.00 N ATOM 971 CA VAL B 122 0.054 18.273 -23.614 1.00 0.00 C ATOM 972 C VAL B 122 1.546 18.572 -23.700 1.00 0.00 C ATOM 973 O VAL B 122 2.038 19.045 -24.723 1.00 0.00 O ATOM 974 CB VAL B 122 -0.643 19.411 -22.844 1.00 0.00 C ATOM 975 CG1 VAL B 122 -0.344 20.755 -23.490 1.00 0.00 C ATOM 976 CG2 VAL B 122 -2.142 19.166 -22.774 1.00 0.00 C ATOM 0 H VAL B 122 -0.658 17.032 -22.082 1.00 0.00 H new ATOM 0 HA VAL B 122 -0.361 18.218 -24.620 1.00 0.00 H new ATOM 0 HB VAL B 122 -0.253 19.430 -21.826 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -0.845 21.546 -22.932 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.732 20.931 -23.483 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -0.704 20.752 -24.519 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -2.618 19.979 -22.227 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -2.551 19.120 -23.783 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -2.333 18.223 -22.262 1.00 0.00 H new ATOM 986 N GLY B 123 2.264 18.292 -22.616 1.00 0.00 N ATOM 987 CA GLY B 123 3.694 18.536 -22.589 1.00 0.00 C ATOM 988 C GLY B 123 4.436 17.757 -23.656 1.00 0.00 C ATOM 989 O GLY B 123 5.408 18.248 -24.230 1.00 0.00 O ATOM 0 H GLY B 123 1.880 17.900 -21.756 1.00 0.00 H new ATOM 0 HA2 GLY B 123 3.880 19.601 -22.726 1.00 0.00 H new ATOM 0 HA3 GLY B 123 4.087 18.267 -21.608 1.00 0.00 H new ATOM 993 N LEU B 124 3.978 16.539 -23.922 1.00 0.00 N ATOM 994 CA LEU B 124 4.606 15.689 -24.927 1.00 0.00 C ATOM 995 C LEU B 124 4.216 16.130 -26.335 1.00 0.00 C ATOM 996 O LEU B 124 5.078 16.407 -27.170 1.00 0.00 O ATOM 997 CB LEU B 124 4.206 14.228 -24.710 1.00 0.00 C ATOM 998 CG LEU B 124 5.285 13.317 -24.124 1.00 0.00 C ATOM 999 CD1 LEU B 124 4.703 12.433 -23.032 1.00 0.00 C ATOM 1000 CD2 LEU B 124 5.918 12.469 -25.218 1.00 0.00 C ATOM 0 H LEU B 124 3.174 16.118 -23.456 1.00 0.00 H new ATOM 0 HA LEU B 124 5.687 15.784 -24.822 1.00 0.00 H new ATOM 0 HB2 LEU B 124 3.340 14.204 -24.049 1.00 0.00 H new ATOM 0 HB3 LEU B 124 3.889 13.813 -25.667 1.00 0.00 H new ATOM 0 HG LEU B 124 6.060 13.942 -23.681 1.00 0.00 H new ATOM 0 HD11 LEU B 124 5.486 11.792 -22.627 1.00 0.00 H new ATOM 0 HD12 LEU B 124 4.298 13.057 -22.236 1.00 0.00 H new ATOM 0 HD13 LEU B 124 3.908 11.815 -23.449 1.00 0.00 H new ATOM 0 HD21 LEU B 124 6.684 11.827 -24.783 1.00 0.00 H new ATOM 0 HD22 LEU B 124 5.152 11.853 -25.690 1.00 0.00 H new ATOM 0 HD23 LEU B 124 6.372 13.119 -25.966 1.00 0.00 H new ATOM 1012 N VAL B 125 2.913 16.196 -26.589 1.00 0.00 N ATOM 1013 CA VAL B 125 2.410 16.609 -27.894 1.00 0.00 C ATOM 1014 C VAL B 125 2.932 17.990 -28.274 1.00 0.00 C ATOM 1015 O VAL B 125 3.416 18.197 -29.387 1.00 0.00 O ATOM 1016 CB VAL B 125 0.870 16.628 -27.920 1.00 0.00 C ATOM 1017 CG1 VAL B 125 0.365 17.103 -29.274 1.00 0.00 C ATOM 1018 CG2 VAL B 125 0.314 15.252 -27.588 1.00 0.00 C ATOM 0 H VAL B 125 2.187 15.969 -25.909 1.00 0.00 H new ATOM 0 HA VAL B 125 2.770 15.878 -28.618 1.00 0.00 H new ATOM 0 HB VAL B 125 0.520 17.328 -27.162 1.00 0.00 H new ATOM 0 HG11 VAL B 125 -0.725 17.110 -29.274 1.00 0.00 H new ATOM 0 HG12 VAL B 125 0.734 18.110 -29.467 1.00 0.00 H new ATOM 0 HG13 VAL B 125 0.723 16.430 -30.053 1.00 0.00 H new ATOM 0 HG21 VAL B 125 -0.775 15.284 -27.611 1.00 0.00 H new ATOM 0 HG22 VAL B 125 0.671 14.529 -28.321 1.00 0.00 H new ATOM 0 HG23 VAL B 125 0.647 14.955 -26.593 1.00 0.00 H new ATOM 1028 N ALA B 126 2.830 18.931 -27.342 1.00 0.00 N ATOM 1029 CA ALA B 126 3.295 20.293 -27.578 1.00 0.00 C ATOM 1030 C ALA B 126 4.796 20.322 -27.843 1.00 0.00 C ATOM 1031 O ALA B 126 5.248 20.864 -28.852 1.00 0.00 O ATOM 1032 CB ALA B 126 2.948 21.181 -26.393 1.00 0.00 C ATOM 0 H ALA B 126 2.430 18.776 -26.417 1.00 0.00 H new ATOM 0 HA ALA B 126 2.789 20.676 -28.465 1.00 0.00 H new ATOM 0 HB1 ALA B 126 3.301 22.195 -26.582 1.00 0.00 H new ATOM 0 HB2 ALA B 126 1.867 21.193 -26.252 1.00 0.00 H new ATOM 0 HB3 ALA B 126 3.427 20.792 -25.494 1.00 0.00 H new ATOM 1038 N TYR B 127 5.565 19.739 -26.930 1.00 0.00 N ATOM 1039 CA TYR B 127 7.016 19.701 -27.063 1.00 0.00 C ATOM 1040 C TYR B 127 7.425 19.098 -28.404 1.00 0.00 C ATOM 1041 O TYR B 127 8.198 19.693 -29.155 1.00 0.00 O ATOM 1042 CB TYR B 127 7.634 18.895 -25.920 1.00 0.00 C ATOM 1043 CG TYR B 127 9.074 18.503 -26.164 1.00 0.00 C ATOM 1044 CD1 TYR B 127 10.108 19.403 -25.937 1.00 0.00 C ATOM 1045 CD2 TYR B 127 9.400 17.233 -26.622 1.00 0.00 C ATOM 1046 CE1 TYR B 127 11.424 19.050 -26.159 1.00 0.00 C ATOM 1047 CE2 TYR B 127 10.714 16.870 -26.846 1.00 0.00 C ATOM 1048 CZ TYR B 127 11.723 17.782 -26.614 1.00 0.00 C ATOM 1049 OH TYR B 127 13.032 17.425 -26.837 1.00 0.00 O ATOM 0 H TYR B 127 5.207 19.286 -26.089 1.00 0.00 H new ATOM 0 HA TYR B 127 7.386 20.725 -27.017 1.00 0.00 H new ATOM 0 HB2 TYR B 127 7.576 19.480 -25.002 1.00 0.00 H new ATOM 0 HB3 TYR B 127 7.043 17.993 -25.762 1.00 0.00 H new ATOM 0 HD1 TYR B 127 9.878 20.396 -25.581 1.00 0.00 H new ATOM 0 HD2 TYR B 127 8.613 16.517 -26.806 1.00 0.00 H new ATOM 0 HE1 TYR B 127 12.215 19.762 -25.978 1.00 0.00 H new ATOM 0 HE2 TYR B 127 10.950 15.878 -27.201 1.00 0.00 H new ATOM 0 HH TYR B 127 13.069 16.498 -27.154 1.00 0.00 H new ATOM 1059 N ILE B 128 6.898 17.914 -28.698 1.00 0.00 N ATOM 1060 CA ILE B 128 7.205 17.231 -29.948 1.00 0.00 C ATOM 1061 C ILE B 128 6.737 18.044 -31.149 1.00 0.00 C ATOM 1062 O ILE B 128 7.528 18.384 -32.028 1.00 0.00 O ATOM 1063 CB ILE B 128 6.555 15.836 -30.002 1.00 0.00 C ATOM 1064 CG1 ILE B 128 7.053 14.972 -28.841 1.00 0.00 C ATOM 1065 CG2 ILE B 128 6.852 15.163 -31.334 1.00 0.00 C ATOM 1066 CD1 ILE B 128 6.044 13.944 -28.377 1.00 0.00 C ATOM 0 H ILE B 128 6.256 17.408 -28.087 1.00 0.00 H new ATOM 0 HA ILE B 128 8.289 17.120 -29.988 1.00 0.00 H new ATOM 0 HB ILE B 128 5.475 15.952 -29.908 1.00 0.00 H new ATOM 0 HG12 ILE B 128 7.967 14.461 -29.145 1.00 0.00 H new ATOM 0 HG13 ILE B 128 7.313 15.619 -28.003 1.00 0.00 H new ATOM 0 HG21 ILE B 128 6.386 14.178 -31.356 1.00 0.00 H new ATOM 0 HG22 ILE B 128 6.454 15.771 -32.146 1.00 0.00 H new ATOM 0 HG23 ILE B 128 7.930 15.057 -31.456 1.00 0.00 H new ATOM 0 HD11 ILE B 128 6.464 13.368 -27.553 1.00 0.00 H new ATOM 0 HD12 ILE B 128 5.138 14.449 -28.042 1.00 0.00 H new ATOM 0 HD13 ILE B 128 5.802 13.274 -29.202 1.00 0.00 H new ATOM 1078 N ALA B 129 5.445 18.355 -31.178 1.00 0.00 N ATOM 1079 CA ALA B 129 4.872 19.132 -32.270 1.00 0.00 C ATOM 1080 C ALA B 129 5.678 20.401 -32.525 1.00 0.00 C ATOM 1081 O ALA B 129 6.193 20.610 -33.623 1.00 0.00 O ATOM 1082 CB ALA B 129 3.421 19.479 -31.965 1.00 0.00 C ATOM 0 H ALA B 129 4.776 18.081 -30.458 1.00 0.00 H new ATOM 0 HA ALA B 129 4.908 18.523 -33.173 1.00 0.00 H new ATOM 0 HB1 ALA B 129 3.005 20.059 -32.788 1.00 0.00 H new ATOM 0 HB2 ALA B 129 2.846 18.561 -31.841 1.00 0.00 H new ATOM 0 HB3 ALA B 129 3.372 20.065 -31.047 1.00 0.00 H new ATOM 1088 N PHE B 130 5.784 21.244 -31.502 1.00 0.00 N ATOM 1089 CA PHE B 130 6.528 22.493 -31.616 1.00 0.00 C ATOM 1090 C PHE B 130 7.941 22.240 -32.133 1.00 0.00 C ATOM 1091 O PHE B 130 8.508 23.061 -32.855 1.00 0.00 O ATOM 1092 CB PHE B 130 6.588 23.201 -30.262 1.00 0.00 C ATOM 1093 CG PHE B 130 5.316 23.916 -29.903 1.00 0.00 C ATOM 1094 CD1 PHE B 130 4.740 24.817 -30.784 1.00 0.00 C ATOM 1095 CD2 PHE B 130 4.698 23.689 -28.683 1.00 0.00 C ATOM 1096 CE1 PHE B 130 3.570 25.477 -30.458 1.00 0.00 C ATOM 1097 CE2 PHE B 130 3.528 24.345 -28.351 1.00 0.00 C ATOM 1098 CZ PHE B 130 2.963 25.241 -29.239 1.00 0.00 C ATOM 0 H PHE B 130 5.364 21.085 -30.586 1.00 0.00 H new ATOM 0 HA PHE B 130 6.008 23.132 -32.330 1.00 0.00 H new ATOM 0 HB2 PHE B 130 6.815 22.468 -29.487 1.00 0.00 H new ATOM 0 HB3 PHE B 130 7.408 23.919 -30.272 1.00 0.00 H new ATOM 0 HD1 PHE B 130 5.211 25.006 -31.737 1.00 0.00 H new ATOM 0 HD2 PHE B 130 5.136 22.992 -27.984 1.00 0.00 H new ATOM 0 HE1 PHE B 130 3.131 26.176 -31.155 1.00 0.00 H new ATOM 0 HE2 PHE B 130 3.055 24.158 -27.398 1.00 0.00 H new ATOM 0 HZ PHE B 130 2.049 25.756 -28.981 1.00 0.00 H new ATOM 1108 N LYS B 131 8.505 21.097 -31.758 1.00 0.00 N ATOM 1109 CA LYS B 131 9.852 20.732 -32.182 1.00 0.00 C ATOM 1110 C LYS B 131 9.977 20.785 -33.701 1.00 0.00 C ATOM 1111 O LYS B 131 10.926 21.358 -34.236 1.00 0.00 O ATOM 1112 CB LYS B 131 10.206 19.331 -31.679 1.00 0.00 C ATOM 1113 CG LYS B 131 11.633 19.209 -31.173 1.00 0.00 C ATOM 1114 CD LYS B 131 12.639 19.621 -32.234 1.00 0.00 C ATOM 1115 CE LYS B 131 14.066 19.515 -31.721 1.00 0.00 C ATOM 1116 NZ LYS B 131 15.062 19.637 -32.820 1.00 0.00 N1+ ATOM 0 H LYS B 131 8.050 20.407 -31.161 1.00 0.00 H new ATOM 0 HA LYS B 131 10.549 21.452 -31.752 1.00 0.00 H new ATOM 0 HB2 LYS B 131 9.520 19.058 -30.877 1.00 0.00 H new ATOM 0 HB3 LYS B 131 10.053 18.615 -32.486 1.00 0.00 H new ATOM 0 HG2 LYS B 131 11.761 19.832 -30.288 1.00 0.00 H new ATOM 0 HG3 LYS B 131 11.825 18.180 -30.868 1.00 0.00 H new ATOM 0 HD2 LYS B 131 12.520 18.989 -33.114 1.00 0.00 H new ATOM 0 HD3 LYS B 131 12.439 20.646 -32.548 1.00 0.00 H new ATOM 0 HE2 LYS B 131 14.245 20.295 -30.981 1.00 0.00 H new ATOM 0 HE3 LYS B 131 14.200 18.559 -31.215 1.00 0.00 H new ATOM 0 HZ1 LYS B 131 16.022 19.559 -32.428 1.00 0.00 H new ATOM 0 HZ2 LYS B 131 14.908 18.877 -33.514 1.00 0.00 H new ATOM 0 HZ3 LYS B 131 14.952 20.560 -33.287 1.00 0.00 H new ATOM 1130 N ARG B 132 9.011 20.187 -34.392 1.00 0.00 N ATOM 1131 CA ARG B 132 9.014 20.166 -35.849 1.00 0.00 C ATOM 1132 C ARG B 132 8.344 21.416 -36.411 1.00 0.00 C ATOM 1133 O ARG B 132 8.614 21.822 -37.542 1.00 0.00 O ATOM 1134 CB ARG B 132 8.299 18.916 -36.364 1.00 0.00 C ATOM 1135 CG ARG B 132 7.621 19.113 -37.710 1.00 0.00 C ATOM 1136 CD ARG B 132 7.034 17.812 -38.234 1.00 0.00 C ATOM 1137 NE ARG B 132 6.099 18.036 -39.333 1.00 0.00 N ATOM 1138 CZ ARG B 132 5.415 17.064 -39.927 1.00 0.00 C ATOM 1139 NH1 ARG B 132 5.562 15.808 -39.530 1.00 0.00 N1+ ATOM 1140 NH2 ARG B 132 4.583 17.348 -40.921 1.00 0.00 N ATOM 0 H ARG B 132 8.216 19.711 -33.965 1.00 0.00 H new ATOM 0 HA ARG B 132 10.051 20.147 -36.185 1.00 0.00 H new ATOM 0 HB2 ARG B 132 9.020 18.103 -36.446 1.00 0.00 H new ATOM 0 HB3 ARG B 132 7.552 18.607 -35.632 1.00 0.00 H new ATOM 0 HG2 ARG B 132 6.831 19.858 -37.615 1.00 0.00 H new ATOM 0 HG3 ARG B 132 8.342 19.503 -38.428 1.00 0.00 H new ATOM 0 HD2 ARG B 132 7.840 17.161 -38.571 1.00 0.00 H new ATOM 0 HD3 ARG B 132 6.523 17.293 -37.423 1.00 0.00 H new ATOM 0 HE ARG B 132 5.963 18.992 -39.663 1.00 0.00 H new ATOM 0 HH11 ARG B 132 6.201 15.586 -38.767 1.00 0.00 H new ATOM 0 HH12 ARG B 132 5.036 15.064 -39.988 1.00 0.00 H new ATOM 0 HH21 ARG B 132 4.468 18.313 -41.230 1.00 0.00 H new ATOM 0 HH22 ARG B 132 4.058 16.601 -41.376 1.00 0.00 H new