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= -0.0389 USER MOD Single : A 15 SER OG : rot -101:sc= 0.951 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 -92:sc= 0.944 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 12.762 7.835 -7.620 1.00 0.00 N ATOM 137 CA ILE A 10 13.332 9.139 -7.937 1.00 0.00 C ATOM 138 C ILE A 10 12.755 9.689 -9.238 1.00 0.00 C ATOM 139 O ILE A 10 12.298 10.829 -9.311 1.00 0.00 O ATOM 140 CB ILE A 10 14.865 9.071 -8.057 1.00 0.00 C ATOM 141 CG1 ILE A 10 15.441 8.147 -6.982 1.00 0.00 C ATOM 142 CG2 ILE A 10 15.468 10.464 -7.944 1.00 0.00 C ATOM 143 CD1 ILE A 10 14.917 8.436 -5.592 1.00 0.00 C ATOM 0 HA ILE A 10 13.071 9.805 -7.115 1.00 0.00 H new ATOM 0 HB ILE A 10 15.121 8.664 -9.035 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.210 7.114 -7.241 1.00 0.00 H new ATOM 0 HG13 ILE A 10 16.527 8.240 -6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 10 16.553 10.399 -8.031 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.077 11.095 -8.742 1.00 0.00 H new ATOM 0 HG23 ILE A 10 15.207 10.896 -6.978 1.00 0.00 H new ATOM 0 HD11 ILE A 10 15.368 7.743 -4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 10 15.171 9.458 -5.313 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.834 8.315 -5.579 1.00 0.00 H new ATOM 155 N PRO A 11 12.775 8.857 -10.291 1.00 0.00 N ATOM 156 CA PRO A 11 12.257 9.236 -11.609 1.00 0.00 C ATOM 157 C PRO A 11 10.737 9.369 -11.618 1.00 0.00 C ATOM 158 O PRO A 11 10.160 9.942 -12.541 1.00 0.00 O ATOM 159 CB PRO A 11 12.698 8.081 -12.509 1.00 0.00 C ATOM 160 CG PRO A 11 12.843 6.918 -11.590 1.00 0.00 C ATOM 161 CD PRO A 11 13.306 7.484 -10.276 1.00 0.00 C ATOM 0 HA PRO A 11 12.629 10.209 -11.929 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.961 7.881 -13.287 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.638 8.308 -13.012 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.896 6.390 -11.476 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.563 6.199 -11.981 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.918 6.912 -9.433 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.393 7.474 -10.195 1.00 0.00 H new ATOM 169 N VAL A 12 10.095 8.835 -10.582 1.00 0.00 N ATOM 170 CA VAL A 12 8.643 8.895 -10.471 1.00 0.00 C ATOM 171 C VAL A 12 8.158 10.338 -10.381 1.00 0.00 C ATOM 172 O VAL A 12 7.501 10.841 -11.292 1.00 0.00 O ATOM 173 CB VAL A 12 8.143 8.118 -9.239 1.00 0.00 C ATOM 174 CG1 VAL A 12 6.645 8.312 -9.057 1.00 0.00 C ATOM 175 CG2 VAL A 12 8.486 6.641 -9.365 1.00 0.00 C ATOM 0 H VAL A 12 10.558 8.357 -9.809 1.00 0.00 H new ATOM 0 HA VAL A 12 8.236 8.434 -11.371 1.00 0.00 H new ATOM 0 HB VAL A 12 8.646 8.510 -8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.310 7.756 -8.182 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.430 9.371 -8.918 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.121 7.948 -9.941 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.125 6.107 -8.486 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.012 6.232 -10.257 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.567 6.524 -9.442 1.00 0.00 H new ATOM 185 N TYR A 13 8.486 10.998 -9.277 1.00 0.00 N ATOM 186 CA TYR A 13 8.083 12.383 -9.066 1.00 0.00 C ATOM 187 C TYR A 13 8.914 13.330 -9.926 1.00 0.00 C ATOM 188 O TYR A 13 8.472 14.427 -10.266 1.00 0.00 O ATOM 189 CB TYR A 13 8.224 12.759 -7.589 1.00 0.00 C ATOM 190 CG TYR A 13 9.613 12.531 -7.038 1.00 0.00 C ATOM 191 CD1 TYR A 13 10.576 13.532 -7.089 1.00 0.00 C ATOM 192 CD2 TYR A 13 9.964 11.315 -6.465 1.00 0.00 C ATOM 193 CE1 TYR A 13 11.846 13.328 -6.586 1.00 0.00 C ATOM 194 CE2 TYR A 13 11.231 11.102 -5.959 1.00 0.00 C ATOM 195 CZ TYR A 13 12.169 12.112 -6.023 1.00 0.00 C ATOM 196 OH TYR A 13 13.433 11.905 -5.519 1.00 0.00 O ATOM 0 H TYR A 13 9.030 10.596 -8.514 1.00 0.00 H new ATOM 0 HA TYR A 13 7.038 12.479 -9.360 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.960 13.809 -7.463 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.510 12.178 -7.005 1.00 0.00 H new ATOM 0 HD1 TYR A 13 10.327 14.486 -7.530 1.00 0.00 H new ATOM 0 HD2 TYR A 13 9.233 10.522 -6.414 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.582 14.117 -6.634 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.486 10.151 -5.516 1.00 0.00 H new ATOM 0 HH TYR A 13 13.496 10.996 -5.157 1.00 0.00 H new ATOM 206 N ALA A 14 10.121 12.896 -10.274 1.00 0.00 N ATOM 207 CA ALA A 14 11.015 13.703 -11.096 1.00 0.00 C ATOM 208 C ALA A 14 10.477 13.843 -12.516 1.00 0.00 C ATOM 209 O ALA A 14 10.409 14.946 -13.059 1.00 0.00 O ATOM 210 CB ALA A 14 12.408 13.093 -11.115 1.00 0.00 C ATOM 0 H ALA A 14 10.502 11.991 -10.000 1.00 0.00 H new ATOM 0 HA ALA A 14 11.073 14.699 -10.657 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.065 13.706 -11.732 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.800 13.050 -10.099 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.358 12.085 -11.527 1.00 0.00 H new ATOM 216 N SER A 15 10.096 12.718 -13.113 1.00 0.00 N ATOM 217 CA SER A 15 9.568 12.715 -14.472 1.00 0.00 C ATOM 218 C SER A 15 8.197 13.382 -14.525 1.00 0.00 C ATOM 219 O SER A 15 7.954 14.261 -15.353 1.00 0.00 O ATOM 220 CB SER A 15 9.472 11.283 -15.001 1.00 0.00 C ATOM 221 OG SER A 15 8.423 10.573 -14.363 1.00 0.00 O ATOM 0 H SER A 15 10.143 11.797 -12.677 1.00 0.00 H new ATOM 0 HA SER A 15 10.253 13.283 -15.102 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.302 11.300 -16.077 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.418 10.767 -14.836 1.00 0.00 H new ATOM 0 HG SER A 15 8.797 9.993 -13.667 1.00 0.00 H new ATOM 227 N ILE A 16 7.306 12.958 -13.636 1.00 0.00 N ATOM 228 CA ILE A 16 5.960 13.515 -13.580 1.00 0.00 C ATOM 229 C ILE A 16 5.997 15.038 -13.506 1.00 0.00 C ATOM 230 O ILE A 16 5.240 15.723 -14.196 1.00 0.00 O ATOM 231 CB ILE A 16 5.176 12.973 -12.370 1.00 0.00 C ATOM 232 CG1 ILE A 16 4.957 11.466 -12.511 1.00 0.00 C ATOM 233 CG2 ILE A 16 3.846 13.698 -12.232 1.00 0.00 C ATOM 234 CD1 ILE A 16 4.575 10.786 -11.214 1.00 0.00 C ATOM 0 H ILE A 16 7.491 12.231 -12.945 1.00 0.00 H new ATOM 0 HA ILE A 16 5.455 13.210 -14.497 1.00 0.00 H new ATOM 0 HB ILE A 16 5.759 13.153 -11.467 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.175 11.288 -13.249 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.869 11.009 -12.896 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.304 13.303 -11.373 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.026 14.764 -12.090 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.254 13.547 -13.135 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.436 9.719 -11.390 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.367 10.932 -10.479 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.647 11.216 -10.837 1.00 0.00 H new ATOM 246 N LEU A 17 6.884 15.562 -12.666 1.00 0.00 N ATOM 247 CA LEU A 17 7.022 17.005 -12.503 1.00 0.00 C ATOM 248 C LEU A 17 7.495 17.656 -13.799 1.00 0.00 C ATOM 249 O LEU A 17 6.945 18.668 -14.233 1.00 0.00 O ATOM 250 CB LEU A 17 8.004 17.318 -11.373 1.00 0.00 C ATOM 251 CG LEU A 17 7.383 17.625 -10.010 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.411 16.526 -9.607 1.00 0.00 C ATOM 253 CD2 LEU A 17 8.467 17.791 -8.955 1.00 0.00 C ATOM 0 H LEU A 17 7.517 15.010 -12.088 1.00 0.00 H new ATOM 0 HA LEU A 17 6.044 17.413 -12.249 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.679 16.470 -11.260 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.612 18.171 -11.673 1.00 0.00 H new ATOM 0 HG LEU A 17 6.831 18.562 -10.087 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.979 16.761 -8.634 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.616 16.453 -10.349 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.941 15.575 -9.548 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.007 18.009 -7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.046 16.871 -8.880 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.126 18.612 -9.236 1.00 0.00 H new ATOM 265 N ALA A 18 8.516 17.069 -14.412 1.00 0.00 N ATOM 266 CA ALA A 18 9.061 17.589 -15.660 1.00 0.00 C ATOM 267 C ALA A 18 7.968 17.745 -16.713 1.00 0.00 C ATOM 268 O ALA A 18 7.828 18.804 -17.324 1.00 0.00 O ATOM 269 CB ALA A 18 10.166 16.678 -16.174 1.00 0.00 C ATOM 0 H ALA A 18 8.984 16.232 -14.065 1.00 0.00 H new ATOM 0 HA ALA A 18 9.482 18.575 -15.461 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.564 17.079 -17.106 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.964 16.621 -15.434 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.763 15.681 -16.350 1.00 0.00 H new ATOM 275 N ALA A 19 7.197 16.682 -16.920 1.00 0.00 N ATOM 276 CA ALA A 19 6.116 16.702 -17.898 1.00 0.00 C ATOM 277 C ALA A 19 5.142 17.840 -17.616 1.00 0.00 C ATOM 278 O ALA A 19 4.757 18.581 -18.522 1.00 0.00 O ATOM 279 CB ALA A 19 5.385 15.368 -17.904 1.00 0.00 C ATOM 0 H ALA A 19 7.301 15.797 -16.424 1.00 0.00 H new ATOM 0 HA ALA A 19 6.553 16.869 -18.883 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.580 15.397 -18.639 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.083 14.572 -18.162 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.967 15.178 -16.916 1.00 0.00 H new ATOM 285 N VAL A 20 4.744 17.974 -16.355 1.00 0.00 N ATOM 286 CA VAL A 20 3.814 19.022 -15.953 1.00 0.00 C ATOM 287 C VAL A 20 4.386 20.405 -16.245 1.00 0.00 C ATOM 288 O VAL A 20 3.751 21.224 -16.910 1.00 0.00 O ATOM 289 CB VAL A 20 3.472 18.926 -14.454 1.00 0.00 C ATOM 290 CG1 VAL A 20 2.427 19.965 -14.077 1.00 0.00 C ATOM 291 CG2 VAL A 20 2.992 17.525 -14.107 1.00 0.00 C ATOM 0 H VAL A 20 5.052 17.369 -15.594 1.00 0.00 H new ATOM 0 HA VAL A 20 2.904 18.877 -16.535 1.00 0.00 H new ATOM 0 HB VAL A 20 4.375 19.129 -13.879 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.198 19.882 -13.015 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.813 20.962 -14.288 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.520 19.796 -14.658 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.755 17.474 -13.044 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.101 17.291 -14.689 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.776 16.804 -14.338 1.00 0.00 H new ATOM 301 N VAL A 21 5.589 20.661 -15.743 1.00 0.00 N ATOM 302 CA VAL A 21 6.248 21.944 -15.950 1.00 0.00 C ATOM 303 C VAL A 21 6.311 22.296 -17.432 1.00 0.00 C ATOM 304 O VAL A 21 5.988 23.416 -17.830 1.00 0.00 O ATOM 305 CB VAL A 21 7.676 21.942 -15.373 1.00 0.00 C ATOM 306 CG1 VAL A 21 8.347 23.287 -15.604 1.00 0.00 C ATOM 307 CG2 VAL A 21 7.652 21.595 -13.892 1.00 0.00 C ATOM 0 H VAL A 21 6.128 19.995 -15.189 1.00 0.00 H new ATOM 0 HA VAL A 21 5.654 22.693 -15.426 1.00 0.00 H new ATOM 0 HB VAL A 21 8.258 21.180 -15.891 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.355 23.267 -15.190 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.398 23.489 -16.674 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.769 24.071 -15.114 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.669 21.598 -13.501 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.055 22.332 -13.355 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.215 20.606 -13.757 1.00 0.00 H new ATOM 317 N VAL A 22 6.728 21.332 -18.247 1.00 0.00 N ATOM 318 CA VAL A 22 6.833 21.539 -19.686 1.00 0.00 C ATOM 319 C VAL A 22 5.466 21.816 -20.302 1.00 0.00 C ATOM 320 O VAL A 22 5.314 22.721 -21.122 1.00 0.00 O ATOM 321 CB VAL A 22 7.460 20.318 -20.385 1.00 0.00 C ATOM 322 CG1 VAL A 22 7.605 20.573 -21.877 1.00 0.00 C ATOM 323 CG2 VAL A 22 8.804 19.980 -19.760 1.00 0.00 C ATOM 0 H VAL A 22 6.999 20.400 -17.935 1.00 0.00 H new ATOM 0 HA VAL A 22 7.478 22.405 -19.835 1.00 0.00 H new ATOM 0 HB VAL A 22 6.797 19.463 -20.250 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.050 19.700 -22.354 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.623 20.763 -22.311 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.246 21.440 -22.037 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.233 19.115 -20.266 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.477 20.831 -19.862 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.667 19.751 -18.703 1.00 0.00 H new ATOM 333 N GLY A 23 4.471 21.031 -19.899 1.00 0.00 N ATOM 334 CA GLY A 23 3.129 21.208 -20.421 1.00 0.00 C ATOM 335 C GLY A 23 2.610 22.618 -20.221 1.00 0.00 C ATOM 336 O GLY A 23 1.954 23.177 -21.101 1.00 0.00 O ATOM 0 H GLY A 23 4.571 20.276 -19.220 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.122 20.969 -21.484 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.456 20.504 -19.931 1.00 0.00 H new ATOM 340 N LEU A 24 2.902 23.195 -19.060 1.00 0.00 N ATOM 341 CA LEU A 24 2.460 24.549 -18.745 1.00 0.00 C ATOM 342 C LEU A 24 3.215 25.577 -19.581 1.00 0.00 C ATOM 343 O LEU A 24 2.616 26.331 -20.348 1.00 0.00 O ATOM 344 CB LEU A 24 2.659 24.839 -17.257 1.00 0.00 C ATOM 345 CG LEU A 24 1.385 25.058 -16.440 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.573 24.561 -15.014 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.992 26.528 -16.447 1.00 0.00 C ATOM 0 H LEU A 24 3.443 22.746 -18.321 1.00 0.00 H new ATOM 0 HA LEU A 24 1.399 24.623 -18.984 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.211 24.009 -16.816 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.286 25.726 -17.161 1.00 0.00 H new ATOM 0 HG LEU A 24 0.579 24.485 -16.899 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.656 24.725 -14.448 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.806 23.496 -15.027 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.392 25.105 -14.544 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.083 26.664 -15.861 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.796 27.122 -16.013 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.814 26.852 -17.472 1.00 0.00 H new ATOM 359 N VAL A 25 4.536 25.600 -19.429 1.00 0.00 N ATOM 360 CA VAL A 25 5.375 26.532 -20.171 1.00 0.00 C ATOM 361 C VAL A 25 5.119 26.429 -21.671 1.00 0.00 C ATOM 362 O VAL A 25 4.754 27.410 -22.318 1.00 0.00 O ATOM 363 CB VAL A 25 6.870 26.281 -19.900 1.00 0.00 C ATOM 364 CG1 VAL A 25 7.729 27.239 -20.712 1.00 0.00 C ATOM 365 CG2 VAL A 25 7.169 26.414 -18.414 1.00 0.00 C ATOM 0 H VAL A 25 5.047 24.983 -18.798 1.00 0.00 H new ATOM 0 HA VAL A 25 5.114 27.533 -19.828 1.00 0.00 H new ATOM 0 HB VAL A 25 7.112 25.264 -20.208 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.782 27.046 -20.507 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.533 27.092 -21.774 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.488 28.266 -20.437 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.230 26.234 -18.239 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.912 27.419 -18.080 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.580 25.685 -17.858 1.00 0.00 H new ATOM 375 N ALA A 26 5.310 25.232 -22.217 1.00 0.00 N ATOM 376 CA ALA A 26 5.098 24.999 -23.640 1.00 0.00 C ATOM 377 C ALA A 26 3.734 25.519 -24.084 1.00 0.00 C ATOM 378 O ALA A 26 3.627 26.239 -25.077 1.00 0.00 O ATOM 379 CB ALA A 26 5.229 23.517 -23.957 1.00 0.00 C ATOM 0 H ALA A 26 5.611 24.409 -21.695 1.00 0.00 H new ATOM 0 HA ALA A 26 5.863 25.546 -24.191 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.068 23.357 -25.023 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.227 23.174 -23.685 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.486 22.957 -23.390 1.00 0.00 H new ATOM 385 N TYR A 27 2.696 25.149 -23.342 1.00 0.00 N ATOM 386 CA TYR A 27 1.338 25.576 -23.662 1.00 0.00 C ATOM 387 C TYR A 27 1.240 27.098 -23.699 1.00 0.00 C ATOM 388 O TYR A 27 0.629 27.670 -24.601 1.00 0.00 O ATOM 389 CB TYR A 27 0.351 25.016 -22.637 1.00 0.00 C ATOM 390 CG TYR A 27 -0.970 25.750 -22.603 1.00 0.00 C ATOM 391 CD1 TYR A 27 -1.159 26.842 -21.766 1.00 0.00 C ATOM 392 CD2 TYR A 27 -2.029 25.353 -23.411 1.00 0.00 C ATOM 393 CE1 TYR A 27 -2.364 27.516 -21.731 1.00 0.00 C ATOM 394 CE2 TYR A 27 -3.237 26.022 -23.385 1.00 0.00 C ATOM 395 CZ TYR A 27 -3.400 27.103 -22.543 1.00 0.00 C ATOM 396 OH TYR A 27 -4.602 27.772 -22.513 1.00 0.00 O ATOM 0 H TYR A 27 2.768 24.555 -22.516 1.00 0.00 H new ATOM 0 HA TYR A 27 1.086 25.189 -24.649 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.167 23.965 -22.859 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.806 25.058 -21.647 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.349 27.170 -21.131 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.905 24.507 -24.071 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.494 28.361 -21.072 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.049 25.701 -24.020 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.224 27.355 -23.145 1.00 0.00 H new ATOM 406 N ILE A 28 1.847 27.748 -22.711 1.00 0.00 N ATOM 407 CA ILE A 28 1.831 29.203 -22.631 1.00 0.00 C ATOM 408 C ILE A 28 2.574 29.827 -23.807 1.00 0.00 C ATOM 409 O ILE A 28 2.050 30.707 -24.489 1.00 0.00 O ATOM 410 CB ILE A 28 2.461 29.702 -21.318 1.00 0.00 C ATOM 411 CG1 ILE A 28 1.696 29.145 -20.115 1.00 0.00 C ATOM 412 CG2 ILE A 28 2.478 31.223 -21.282 1.00 0.00 C ATOM 413 CD1 ILE A 28 2.578 28.852 -18.921 1.00 0.00 C ATOM 0 H ILE A 28 2.356 27.290 -21.955 1.00 0.00 H new ATOM 0 HA ILE A 28 0.785 29.508 -22.662 1.00 0.00 H new ATOM 0 HB ILE A 28 3.490 29.345 -21.268 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.927 29.859 -19.822 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.185 28.229 -20.412 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.926 31.560 -20.347 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.062 31.600 -22.121 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.458 31.600 -21.351 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.969 28.460 -18.106 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.332 28.115 -19.198 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.070 29.770 -18.598 1.00 0.00 H new ATOM 425 N ALA A 29 3.798 29.364 -24.040 1.00 0.00 N ATOM 426 CA ALA A 29 4.612 29.873 -25.136 1.00 0.00 C ATOM 427 C ALA A 29 3.876 29.757 -26.467 1.00 0.00 C ATOM 428 O ALA A 29 4.016 30.611 -27.342 1.00 0.00 O ATOM 429 CB ALA A 29 5.939 29.131 -25.197 1.00 0.00 C ATOM 0 H ALA A 29 4.247 28.637 -23.484 1.00 0.00 H new ATOM 0 HA ALA A 29 4.808 30.929 -24.950 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.537 29.522 -26.020 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.477 29.271 -24.260 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.755 28.068 -25.355 1.00 0.00 H new ATOM 435 N PHE A 30 3.095 28.691 -26.613 1.00 0.00 N ATOM 436 CA PHE A 30 2.339 28.461 -27.839 1.00 0.00 C ATOM 437 C PHE A 30 1.246 29.513 -28.009 1.00 0.00 C ATOM 438 O PHE A 30 1.242 30.270 -28.980 1.00 0.00 O ATOM 439 CB PHE A 30 1.719 27.063 -27.826 1.00 0.00 C ATOM 440 CG PHE A 30 0.781 26.812 -28.971 1.00 0.00 C ATOM 441 CD1 PHE A 30 1.264 26.669 -30.262 1.00 0.00 C ATOM 442 CD2 PHE A 30 -0.585 26.720 -28.758 1.00 0.00 C ATOM 443 CE1 PHE A 30 0.403 26.439 -31.318 1.00 0.00 C ATOM 444 CE2 PHE A 30 -1.451 26.489 -29.810 1.00 0.00 C ATOM 445 CZ PHE A 30 -0.957 26.349 -31.092 1.00 0.00 C ATOM 0 H PHE A 30 2.969 27.974 -25.899 1.00 0.00 H new ATOM 0 HA PHE A 30 3.027 28.538 -28.681 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.517 26.320 -27.851 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.181 26.922 -26.889 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.326 26.738 -30.445 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.978 26.830 -27.758 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.793 26.330 -32.319 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.513 26.418 -29.630 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.632 26.170 -31.916 1.00 0.00 H new ATOM 455 N LYS A 31 0.319 29.553 -27.058 1.00 0.00 N ATOM 456 CA LYS A 31 -0.780 30.510 -27.100 1.00 0.00 C ATOM 457 C LYS A 31 -0.254 31.937 -27.217 1.00 0.00 C ATOM 458 O LYS A 31 -0.923 32.812 -27.768 1.00 0.00 O ATOM 459 CB LYS A 31 -1.648 30.376 -25.847 1.00 0.00 C ATOM 460 CG LYS A 31 -0.931 30.767 -24.566 1.00 0.00 C ATOM 461 CD LYS A 31 -1.902 30.910 -23.406 1.00 0.00 C ATOM 462 CE LYS A 31 -1.268 31.647 -22.236 1.00 0.00 C ATOM 463 NZ LYS A 31 -2.291 32.146 -21.275 1.00 0.00 N1+ ATOM 0 H LYS A 31 0.307 28.933 -26.248 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.386 30.292 -27.979 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.535 30.999 -25.961 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.991 29.345 -25.761 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.181 30.014 -24.323 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.401 31.708 -24.717 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.790 31.448 -23.738 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.230 29.923 -23.081 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.578 30.981 -21.718 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.681 32.486 -22.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.819 32.642 -20.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.935 32.801 -21.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.834 31.343 -20.898 1.00 0.00 H new ATOM 477 N ARG A 32 0.947 32.165 -26.697 1.00 0.00 N ATOM 478 CA ARG A 32 1.562 33.485 -26.744 1.00 0.00 C ATOM 479 C ARG A 32 2.107 33.783 -28.138 1.00 0.00 C ATOM 480 O ARG A 32 2.093 34.927 -28.591 1.00 0.00 O ATOM 481 CB ARG A 32 2.688 33.584 -25.714 1.00 0.00 C ATOM 482 CG ARG A 32 2.215 34.008 -24.333 1.00 0.00 C ATOM 483 CD ARG A 32 1.906 35.496 -24.282 1.00 0.00 C ATOM 484 NE ARG A 32 3.117 36.302 -24.138 1.00 0.00 N ATOM 485 CZ ARG A 32 3.106 37.596 -23.844 1.00 0.00 C ATOM 486 NH1 ARG A 32 1.956 38.229 -23.662 1.00 0.00 N1+ ATOM 487 NH2 ARG A 32 4.250 38.261 -23.730 1.00 0.00 N ATOM 0 H ARG A 32 1.514 31.452 -26.238 1.00 0.00 H new ATOM 0 HA ARG A 32 0.795 34.223 -26.507 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.185 32.617 -25.637 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.432 34.297 -26.069 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.324 33.441 -24.062 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.981 33.769 -23.596 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.382 35.789 -25.192 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.234 35.698 -23.448 1.00 0.00 H new ATOM 0 HE ARG A 32 4.019 35.845 -24.271 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.075 37.722 -23.748 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.952 39.224 -23.436 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.137 37.777 -23.868 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.241 39.256 -23.504 1.00 0.00 H new ATOM 789 N ILE B 110 -11.049 12.763 -8.776 1.00 0.00 N ATOM 790 CA ILE B 110 -11.290 12.844 -10.211 1.00 0.00 C ATOM 791 C ILE B 110 -10.307 13.798 -10.880 1.00 0.00 C ATOM 792 O ILE B 110 -9.663 13.467 -11.876 1.00 0.00 O ATOM 793 CB ILE B 110 -12.727 13.308 -10.515 1.00 0.00 C ATOM 794 CG1 ILE B 110 -13.716 12.637 -9.560 1.00 0.00 C ATOM 795 CG2 ILE B 110 -13.088 13.002 -11.961 1.00 0.00 C ATOM 796 CD1 ILE B 110 -13.560 11.134 -9.487 1.00 0.00 C ATOM 0 HA ILE B 110 -11.149 11.840 -10.612 1.00 0.00 H new ATOM 0 HB ILE B 110 -12.783 14.386 -10.367 1.00 0.00 H new ATOM 0 HG12 ILE B 110 -13.587 13.057 -8.562 1.00 0.00 H new ATOM 0 HG13 ILE B 110 -14.732 12.874 -9.876 1.00 0.00 H new ATOM 0 HG21 ILE B 110 -14.106 13.336 -12.160 1.00 0.00 H new ATOM 0 HG22 ILE B 110 -12.399 13.523 -12.626 1.00 0.00 H new ATOM 0 HG23 ILE B 110 -13.018 11.928 -12.134 1.00 0.00 H new ATOM 0 HD11 ILE B 110 -14.293 10.725 -8.791 1.00 0.00 H new ATOM 0 HD12 ILE B 110 -13.718 10.703 -10.476 1.00 0.00 H new ATOM 0 HD13 ILE B 110 -12.556 10.889 -9.141 1.00 0.00 H new ATOM 808 N PRO B 111 -10.186 15.011 -10.321 1.00 0.00 N ATOM 809 CA PRO B 111 -9.282 16.038 -10.847 1.00 0.00 C ATOM 810 C PRO B 111 -7.814 15.684 -10.629 1.00 0.00 C ATOM 811 O PRO B 111 -6.921 16.342 -11.164 1.00 0.00 O ATOM 812 CB PRO B 111 -9.655 17.286 -10.041 1.00 0.00 C ATOM 813 CG PRO B 111 -10.230 16.758 -8.772 1.00 0.00 C ATOM 814 CD PRO B 111 -10.923 15.473 -9.133 1.00 0.00 C ATOM 0 HA PRO B 111 -9.389 16.162 -11.925 1.00 0.00 H new ATOM 0 HB2 PRO B 111 -8.782 17.910 -9.851 1.00 0.00 H new ATOM 0 HB3 PRO B 111 -10.377 17.902 -10.577 1.00 0.00 H new ATOM 0 HG2 PRO B 111 -9.449 16.585 -8.032 1.00 0.00 H new ATOM 0 HG3 PRO B 111 -10.931 17.470 -8.335 1.00 0.00 H new ATOM 0 HD2 PRO B 111 -10.873 14.747 -8.321 1.00 0.00 H new ATOM 0 HD3 PRO B 111 -11.979 15.633 -9.352 1.00 0.00 H new ATOM 822 N VAL B 112 -7.572 14.641 -9.842 1.00 0.00 N ATOM 823 CA VAL B 112 -6.213 14.197 -9.556 1.00 0.00 C ATOM 824 C VAL B 112 -5.547 13.626 -10.803 1.00 0.00 C ATOM 825 O VAL B 112 -4.710 14.278 -11.428 1.00 0.00 O ATOM 826 CB VAL B 112 -6.191 13.134 -8.443 1.00 0.00 C ATOM 827 CG1 VAL B 112 -4.785 12.584 -8.256 1.00 0.00 C ATOM 828 CG2 VAL B 112 -6.722 13.715 -7.141 1.00 0.00 C ATOM 0 H VAL B 112 -8.300 14.087 -9.391 1.00 0.00 H new ATOM 0 HA VAL B 112 -5.659 15.074 -9.221 1.00 0.00 H new ATOM 0 HB VAL B 112 -6.841 12.310 -8.739 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -4.790 11.834 -7.465 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -4.446 12.128 -9.186 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -4.110 13.395 -7.983 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -6.699 12.950 -6.365 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -6.100 14.557 -6.838 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -7.748 14.055 -7.286 1.00 0.00 H new ATOM 838 N TYR B 113 -5.924 12.403 -11.160 1.00 0.00 N ATOM 839 CA TYR B 113 -5.362 11.741 -12.332 1.00 0.00 C ATOM 840 C TYR B 113 -5.763 12.469 -13.613 1.00 0.00 C ATOM 841 O TYR B 113 -5.063 12.403 -14.621 1.00 0.00 O ATOM 842 CB TYR B 113 -5.825 10.285 -12.392 1.00 0.00 C ATOM 843 CG TYR B 113 -7.329 10.127 -12.382 1.00 0.00 C ATOM 844 CD1 TYR B 113 -8.027 10.015 -11.187 1.00 0.00 C ATOM 845 CD2 TYR B 113 -8.052 10.088 -13.569 1.00 0.00 C ATOM 846 CE1 TYR B 113 -9.402 9.870 -11.172 1.00 0.00 C ATOM 847 CE2 TYR B 113 -9.425 9.945 -13.564 1.00 0.00 C ATOM 848 CZ TYR B 113 -10.096 9.835 -12.363 1.00 0.00 C ATOM 849 OH TYR B 113 -11.464 9.691 -12.355 1.00 0.00 O ATOM 0 H TYR B 113 -6.616 11.850 -10.655 1.00 0.00 H new ATOM 0 HA TYR B 113 -4.276 11.766 -12.247 1.00 0.00 H new ATOM 0 HB2 TYR B 113 -5.425 9.822 -13.294 1.00 0.00 H new ATOM 0 HB3 TYR B 113 -5.406 9.744 -11.544 1.00 0.00 H new ATOM 0 HD1 TYR B 113 -7.486 10.042 -10.252 1.00 0.00 H new ATOM 0 HD2 TYR B 113 -7.530 10.171 -14.511 1.00 0.00 H new ATOM 0 HE1 TYR B 113 -9.929 9.785 -10.233 1.00 0.00 H new ATOM 0 HE2 TYR B 113 -9.971 9.919 -14.495 1.00 0.00 H new ATOM 0 HH TYR B 113 -11.798 9.686 -13.276 1.00 0.00 H new ATOM 859 N ALA B 114 -6.898 13.160 -13.562 1.00 0.00 N ATOM 860 CA ALA B 114 -7.392 13.901 -14.715 1.00 0.00 C ATOM 861 C ALA B 114 -6.466 15.064 -15.060 1.00 0.00 C ATOM 862 O ALA B 114 -6.018 15.196 -16.199 1.00 0.00 O ATOM 863 CB ALA B 114 -8.802 14.408 -14.452 1.00 0.00 C ATOM 0 H ALA B 114 -7.492 13.221 -12.735 1.00 0.00 H new ATOM 0 HA ALA B 114 -7.414 13.223 -15.568 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -9.158 14.960 -15.322 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -9.463 13.562 -14.263 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -8.796 15.066 -13.583 1.00 0.00 H new ATOM 869 N SER B 115 -6.183 15.902 -14.068 1.00 0.00 N ATOM 870 CA SER B 115 -5.314 17.056 -14.267 1.00 0.00 C ATOM 871 C SER B 115 -3.896 16.614 -14.615 1.00 0.00 C ATOM 872 O SER B 115 -3.311 17.081 -15.593 1.00 0.00 O ATOM 873 CB SER B 115 -5.295 17.930 -13.011 1.00 0.00 C ATOM 874 OG SER B 115 -4.625 17.277 -11.946 1.00 0.00 O ATOM 0 H SER B 115 -6.543 15.804 -13.119 1.00 0.00 H new ATOM 0 HA SER B 115 -5.709 17.638 -15.099 1.00 0.00 H new ATOM 0 HB2 SER B 115 -4.801 18.876 -13.230 1.00 0.00 H new ATOM 0 HB3 SER B 115 -6.316 18.166 -12.712 1.00 0.00 H new ATOM 0 HG SER B 115 -5.275 16.784 -11.404 1.00 0.00 H new ATOM 880 N ILE B 116 -3.349 15.712 -13.807 1.00 0.00 N ATOM 881 CA ILE B 116 -2.001 15.206 -14.030 1.00 0.00 C ATOM 882 C ILE B 116 -1.828 14.710 -15.461 1.00 0.00 C ATOM 883 O ILE B 116 -0.814 14.980 -16.105 1.00 0.00 O ATOM 884 CB ILE B 116 -1.662 14.061 -13.057 1.00 0.00 C ATOM 885 CG1 ILE B 116 -1.677 14.567 -11.613 1.00 0.00 C ATOM 886 CG2 ILE B 116 -0.307 13.459 -13.399 1.00 0.00 C ATOM 887 CD1 ILE B 116 -1.701 13.458 -10.585 1.00 0.00 C ATOM 0 H ILE B 116 -3.819 15.317 -12.992 1.00 0.00 H new ATOM 0 HA ILE B 116 -1.319 16.038 -13.852 1.00 0.00 H new ATOM 0 HB ILE B 116 -2.419 13.283 -13.157 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -0.797 15.188 -11.445 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -2.550 15.204 -11.469 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -0.082 12.651 -12.703 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -0.330 13.066 -14.415 1.00 0.00 H new ATOM 0 HG23 ILE B 116 0.462 14.228 -13.324 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -1.711 13.890 -9.584 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -2.595 12.850 -10.727 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -0.815 12.834 -10.702 1.00 0.00 H new ATOM 899 N LEU B 117 -2.826 13.985 -15.954 1.00 0.00 N ATOM 900 CA LEU B 117 -2.787 13.452 -17.311 1.00 0.00 C ATOM 901 C LEU B 117 -2.750 14.580 -18.338 1.00 0.00 C ATOM 902 O LEU B 117 -1.982 14.532 -19.299 1.00 0.00 O ATOM 903 CB LEU B 117 -4.001 12.557 -17.564 1.00 0.00 C ATOM 904 CG LEU B 117 -3.763 11.051 -17.436 1.00 0.00 C ATOM 905 CD1 LEU B 117 -3.084 10.728 -16.116 1.00 0.00 C ATOM 906 CD2 LEU B 117 -5.076 10.291 -17.563 1.00 0.00 C ATOM 0 H LEU B 117 -3.672 13.753 -15.434 1.00 0.00 H new ATOM 0 HA LEU B 117 -1.878 12.859 -17.416 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -4.788 12.841 -16.866 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -4.375 12.762 -18.567 1.00 0.00 H new ATOM 0 HG LEU B 117 -3.104 10.737 -18.246 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -2.923 9.652 -16.043 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -2.125 11.243 -16.065 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -3.717 11.057 -15.291 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -4.888 9.221 -17.470 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -5.758 10.610 -16.775 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -5.523 10.497 -18.535 1.00 0.00 H new ATOM 918 N ALA B 118 -3.584 15.592 -18.127 1.00 0.00 N ATOM 919 CA ALA B 118 -3.644 16.734 -19.031 1.00 0.00 C ATOM 920 C ALA B 118 -2.276 17.394 -19.174 1.00 0.00 C ATOM 921 O ALA B 118 -1.828 17.683 -20.283 1.00 0.00 O ATOM 922 CB ALA B 118 -4.669 17.744 -18.541 1.00 0.00 C ATOM 0 H ALA B 118 -4.228 15.645 -17.338 1.00 0.00 H new ATOM 0 HA ALA B 118 -3.949 16.371 -20.013 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -4.702 18.591 -19.227 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -5.651 17.274 -18.498 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -4.390 18.093 -17.547 1.00 0.00 H new ATOM 928 N ALA B 119 -1.617 17.630 -18.045 1.00 0.00 N ATOM 929 CA ALA B 119 -0.300 18.254 -18.043 1.00 0.00 C ATOM 930 C ALA B 119 0.717 17.391 -18.783 1.00 0.00 C ATOM 931 O ALA B 119 1.596 17.904 -19.474 1.00 0.00 O ATOM 932 CB ALA B 119 0.161 18.511 -16.616 1.00 0.00 C ATOM 0 H ALA B 119 -1.974 17.398 -17.118 1.00 0.00 H new ATOM 0 HA ALA B 119 -0.376 19.208 -18.565 1.00 0.00 H new ATOM 0 HB1 ALA B 119 1.146 18.977 -16.630 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -0.547 19.174 -16.119 1.00 0.00 H new ATOM 0 HB3 ALA B 119 0.215 17.566 -16.075 1.00 0.00 H new ATOM 938 N VAL B 120 0.591 16.076 -18.632 1.00 0.00 N ATOM 939 CA VAL B 120 1.499 15.142 -19.286 1.00 0.00 C ATOM 940 C VAL B 120 1.236 15.078 -20.787 1.00 0.00 C ATOM 941 O VAL B 120 2.167 15.063 -21.591 1.00 0.00 O ATOM 942 CB VAL B 120 1.371 13.726 -18.693 1.00 0.00 C ATOM 943 CG1 VAL B 120 1.274 12.689 -19.802 1.00 0.00 C ATOM 944 CG2 VAL B 120 2.543 13.426 -17.772 1.00 0.00 C ATOM 0 H VAL B 120 -0.131 15.634 -18.063 1.00 0.00 H new ATOM 0 HA VAL B 120 2.510 15.511 -19.113 1.00 0.00 H new ATOM 0 HB VAL B 120 0.455 13.679 -18.104 1.00 0.00 H new ATOM 0 HG11 VAL B 120 1.184 11.695 -19.364 1.00 0.00 H new ATOM 0 HG12 VAL B 120 0.398 12.895 -20.417 1.00 0.00 H new ATOM 0 HG13 VAL B 120 2.170 12.733 -20.421 1.00 0.00 H new ATOM 0 HG21 VAL B 120 2.436 12.422 -17.362 1.00 0.00 H new ATOM 0 HG22 VAL B 120 3.474 13.491 -18.335 1.00 0.00 H new ATOM 0 HG23 VAL B 120 2.560 14.150 -16.958 1.00 0.00 H new ATOM 954 N VAL B 121 -0.040 15.042 -21.158 1.00 0.00 N ATOM 955 CA VAL B 121 -0.427 14.981 -22.561 1.00 0.00 C ATOM 956 C VAL B 121 0.030 16.228 -23.311 1.00 0.00 C ATOM 957 O VAL B 121 0.557 16.140 -24.420 1.00 0.00 O ATOM 958 CB VAL B 121 -1.952 14.832 -22.717 1.00 0.00 C ATOM 959 CG1 VAL B 121 -2.338 14.796 -24.189 1.00 0.00 C ATOM 960 CG2 VAL B 121 -2.441 13.583 -21.999 1.00 0.00 C ATOM 0 H VAL B 121 -0.823 15.054 -20.505 1.00 0.00 H new ATOM 0 HA VAL B 121 0.061 14.104 -22.986 1.00 0.00 H new ATOM 0 HB VAL B 121 -2.433 15.698 -22.261 1.00 0.00 H new ATOM 0 HG11 VAL B 121 -3.419 14.690 -24.279 1.00 0.00 H new ATOM 0 HG12 VAL B 121 -2.022 15.721 -24.671 1.00 0.00 H new ATOM 0 HG13 VAL B 121 -1.849 13.950 -24.673 1.00 0.00 H new ATOM 0 HG21 VAL B 121 -3.521 13.493 -22.119 1.00 0.00 H new ATOM 0 HG22 VAL B 121 -1.954 12.705 -22.424 1.00 0.00 H new ATOM 0 HG23 VAL B 121 -2.199 13.655 -20.939 1.00 0.00 H new ATOM 970 N VAL B 122 -0.175 17.389 -22.698 1.00 0.00 N ATOM 971 CA VAL B 122 0.217 18.655 -23.306 1.00 0.00 C ATOM 972 C VAL B 122 1.735 18.784 -23.377 1.00 0.00 C ATOM 973 O VAL B 122 2.285 19.217 -24.388 1.00 0.00 O ATOM 974 CB VAL B 122 -0.354 19.854 -22.526 1.00 0.00 C ATOM 975 CG1 VAL B 122 -0.011 21.159 -23.227 1.00 0.00 C ATOM 976 CG2 VAL B 122 -1.859 19.710 -22.355 1.00 0.00 C ATOM 0 H VAL B 122 -0.611 17.479 -21.780 1.00 0.00 H new ATOM 0 HA VAL B 122 -0.193 18.661 -24.316 1.00 0.00 H new ATOM 0 HB VAL B 122 0.101 19.871 -21.536 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -0.423 21.995 -22.661 1.00 0.00 H new ATOM 0 HG12 VAL B 122 1.072 21.263 -23.292 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -0.436 21.156 -24.231 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -2.246 20.566 -21.802 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -2.334 19.667 -23.335 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -2.077 18.794 -21.805 1.00 0.00 H new ATOM 986 N GLY B 123 2.406 18.405 -22.294 1.00 0.00 N ATOM 987 CA GLY B 123 3.854 18.486 -22.252 1.00 0.00 C ATOM 988 C GLY B 123 4.512 17.675 -23.351 1.00 0.00 C ATOM 989 O GLY B 123 5.515 18.097 -23.929 1.00 0.00 O ATOM 0 H GLY B 123 1.972 18.043 -21.445 1.00 0.00 H new ATOM 0 HA2 GLY B 123 4.159 19.529 -22.342 1.00 0.00 H new ATOM 0 HA3 GLY B 123 4.207 18.133 -21.283 1.00 0.00 H new ATOM 993 N LEU B 124 3.948 16.507 -23.641 1.00 0.00 N ATOM 994 CA LEU B 124 4.486 15.633 -24.678 1.00 0.00 C ATOM 995 C LEU B 124 4.245 16.222 -26.064 1.00 0.00 C ATOM 996 O LEU B 124 5.186 16.453 -26.824 1.00 0.00 O ATOM 997 CB LEU B 124 3.852 14.245 -24.581 1.00 0.00 C ATOM 998 CG LEU B 124 4.791 13.103 -24.193 1.00 0.00 C ATOM 999 CD1 LEU B 124 4.051 12.056 -23.376 1.00 0.00 C ATOM 1000 CD2 LEU B 124 5.408 12.474 -25.435 1.00 0.00 C ATOM 0 H LEU B 124 3.118 16.143 -23.172 1.00 0.00 H new ATOM 0 HA LEU B 124 5.561 15.545 -24.524 1.00 0.00 H new ATOM 0 HB2 LEU B 124 3.043 14.287 -23.851 1.00 0.00 H new ATOM 0 HB3 LEU B 124 3.400 14.006 -25.544 1.00 0.00 H new ATOM 0 HG LEU B 124 5.594 13.512 -23.579 1.00 0.00 H new ATOM 0 HD11 LEU B 124 4.736 11.251 -23.109 1.00 0.00 H new ATOM 0 HD12 LEU B 124 3.658 12.514 -22.468 1.00 0.00 H new ATOM 0 HD13 LEU B 124 3.227 11.651 -23.964 1.00 0.00 H new ATOM 0 HD21 LEU B 124 6.074 11.663 -25.140 1.00 0.00 H new ATOM 0 HD22 LEU B 124 4.618 12.080 -26.074 1.00 0.00 H new ATOM 0 HD23 LEU B 124 5.975 13.228 -25.981 1.00 0.00 H new ATOM 1012 N VAL B 125 2.978 16.462 -26.387 1.00 0.00 N ATOM 1013 CA VAL B 125 2.613 17.025 -27.681 1.00 0.00 C ATOM 1014 C VAL B 125 3.311 18.361 -27.915 1.00 0.00 C ATOM 1015 O VAL B 125 4.038 18.529 -28.894 1.00 0.00 O ATOM 1016 CB VAL B 125 1.090 17.227 -27.795 1.00 0.00 C ATOM 1017 CG1 VAL B 125 0.732 17.842 -29.140 1.00 0.00 C ATOM 1018 CG2 VAL B 125 0.361 15.907 -27.592 1.00 0.00 C ATOM 0 H VAL B 125 2.187 16.275 -25.770 1.00 0.00 H new ATOM 0 HA VAL B 125 2.935 16.312 -28.440 1.00 0.00 H new ATOM 0 HB VAL B 125 0.773 17.915 -27.012 1.00 0.00 H new ATOM 0 HG11 VAL B 125 -0.348 17.977 -29.202 1.00 0.00 H new ATOM 0 HG12 VAL B 125 1.225 18.809 -29.241 1.00 0.00 H new ATOM 0 HG13 VAL B 125 1.062 17.181 -29.942 1.00 0.00 H new ATOM 0 HG21 VAL B 125 -0.714 16.068 -27.676 1.00 0.00 H new ATOM 0 HG22 VAL B 125 0.681 15.194 -28.352 1.00 0.00 H new ATOM 0 HG23 VAL B 125 0.593 15.512 -26.603 1.00 0.00 H new ATOM 1028 N ALA B 126 3.083 19.307 -27.010 1.00 0.00 N ATOM 1029 CA ALA B 126 3.692 20.627 -27.117 1.00 0.00 C ATOM 1030 C ALA B 126 5.196 20.522 -27.345 1.00 0.00 C ATOM 1031 O ALA B 126 5.739 21.131 -28.266 1.00 0.00 O ATOM 1032 CB ALA B 126 3.401 21.445 -25.867 1.00 0.00 C ATOM 0 H ALA B 126 2.482 19.184 -26.195 1.00 0.00 H new ATOM 0 HA ALA B 126 3.256 21.132 -27.979 1.00 0.00 H new ATOM 0 HB1 ALA B 126 3.862 22.428 -25.960 1.00 0.00 H new ATOM 0 HB2 ALA B 126 2.323 21.559 -25.749 1.00 0.00 H new ATOM 0 HB3 ALA B 126 3.809 20.934 -24.995 1.00 0.00 H new ATOM 1038 N TYR B 127 5.864 19.745 -26.498 1.00 0.00 N ATOM 1039 CA TYR B 127 7.306 19.562 -26.605 1.00 0.00 C ATOM 1040 C TYR B 127 7.701 19.153 -28.021 1.00 0.00 C ATOM 1041 O TYR B 127 8.675 19.662 -28.577 1.00 0.00 O ATOM 1042 CB TYR B 127 7.784 18.508 -25.605 1.00 0.00 C ATOM 1043 CG TYR B 127 9.131 17.914 -25.948 1.00 0.00 C ATOM 1044 CD1 TYR B 127 9.232 16.785 -26.753 1.00 0.00 C ATOM 1045 CD2 TYR B 127 10.305 18.483 -25.468 1.00 0.00 C ATOM 1046 CE1 TYR B 127 10.462 16.240 -27.068 1.00 0.00 C ATOM 1047 CE2 TYR B 127 11.538 17.946 -25.779 1.00 0.00 C ATOM 1048 CZ TYR B 127 11.612 16.824 -26.579 1.00 0.00 C ATOM 1049 OH TYR B 127 12.839 16.284 -26.892 1.00 0.00 O ATOM 0 H TYR B 127 5.429 19.233 -25.731 1.00 0.00 H new ATOM 0 HA TYR B 127 7.785 20.514 -26.375 1.00 0.00 H new ATOM 0 HB2 TYR B 127 7.837 18.958 -24.613 1.00 0.00 H new ATOM 0 HB3 TYR B 127 7.046 17.708 -25.553 1.00 0.00 H new ATOM 0 HD1 TYR B 127 8.334 16.326 -27.139 1.00 0.00 H new ATOM 0 HD2 TYR B 127 10.251 19.361 -24.841 1.00 0.00 H new ATOM 0 HE1 TYR B 127 10.523 15.362 -27.694 1.00 0.00 H new ATOM 0 HE2 TYR B 127 12.440 18.402 -25.398 1.00 0.00 H new ATOM 0 HH TYR B 127 13.547 16.814 -26.470 1.00 0.00 H new ATOM 1059 N ILE B 128 6.937 18.232 -28.598 1.00 0.00 N ATOM 1060 CA ILE B 128 7.204 17.755 -29.949 1.00 0.00 C ATOM 1061 C ILE B 128 7.064 18.881 -30.966 1.00 0.00 C ATOM 1062 O ILE B 128 7.961 19.113 -31.777 1.00 0.00 O ATOM 1063 CB ILE B 128 6.254 16.606 -30.338 1.00 0.00 C ATOM 1064 CG1 ILE B 128 6.417 15.431 -29.372 1.00 0.00 C ATOM 1065 CG2 ILE B 128 6.518 16.162 -31.769 1.00 0.00 C ATOM 1066 CD1 ILE B 128 5.131 14.677 -29.114 1.00 0.00 C ATOM 0 H ILE B 128 6.128 17.801 -28.151 1.00 0.00 H new ATOM 0 HA ILE B 128 8.230 17.386 -29.957 1.00 0.00 H new ATOM 0 HB ILE B 128 5.227 16.966 -30.273 1.00 0.00 H new ATOM 0 HG12 ILE B 128 7.159 14.741 -29.774 1.00 0.00 H new ATOM 0 HG13 ILE B 128 6.807 15.802 -28.424 1.00 0.00 H new ATOM 0 HG21 ILE B 128 5.839 15.350 -32.029 1.00 0.00 H new ATOM 0 HG22 ILE B 128 6.356 17.001 -32.446 1.00 0.00 H new ATOM 0 HG23 ILE B 128 7.548 15.817 -31.859 1.00 0.00 H new ATOM 0 HD11 ILE B 128 5.322 13.858 -28.421 1.00 0.00 H new ATOM 0 HD12 ILE B 128 4.393 15.353 -28.682 1.00 0.00 H new ATOM 0 HD13 ILE B 128 4.750 14.276 -30.053 1.00 0.00 H new ATOM 1078 N ALA B 129 5.934 19.579 -30.918 1.00 0.00 N ATOM 1079 CA ALA B 129 5.679 20.684 -31.834 1.00 0.00 C ATOM 1080 C ALA B 129 6.787 21.729 -31.756 1.00 0.00 C ATOM 1081 O ALA B 129 7.142 22.350 -32.758 1.00 0.00 O ATOM 1082 CB ALA B 129 4.330 21.319 -31.531 1.00 0.00 C ATOM 0 H ALA B 129 5.181 19.399 -30.254 1.00 0.00 H new ATOM 0 HA ALA B 129 5.662 20.286 -32.849 1.00 0.00 H new ATOM 0 HB1 ALA B 129 4.152 22.143 -32.222 1.00 0.00 H new ATOM 0 HB2 ALA B 129 3.543 20.573 -31.645 1.00 0.00 H new ATOM 0 HB3 ALA B 129 4.327 21.696 -30.508 1.00 0.00 H new ATOM 1088 N PHE B 130 7.332 21.920 -30.557 1.00 0.00 N ATOM 1089 CA PHE B 130 8.398 22.891 -30.348 1.00 0.00 C ATOM 1090 C PHE B 130 9.679 22.452 -31.053 1.00 0.00 C ATOM 1091 O PHE B 130 10.173 23.134 -31.950 1.00 0.00 O ATOM 1092 CB PHE B 130 8.663 23.075 -28.852 1.00 0.00 C ATOM 1093 CG PHE B 130 9.864 23.928 -28.556 1.00 0.00 C ATOM 1094 CD1 PHE B 130 9.837 25.292 -28.797 1.00 0.00 C ATOM 1095 CD2 PHE B 130 11.019 23.365 -28.038 1.00 0.00 C ATOM 1096 CE1 PHE B 130 10.940 26.079 -28.526 1.00 0.00 C ATOM 1097 CE2 PHE B 130 12.124 24.147 -27.764 1.00 0.00 C ATOM 1098 CZ PHE B 130 12.085 25.507 -28.009 1.00 0.00 C ATOM 0 H PHE B 130 7.052 21.414 -29.717 1.00 0.00 H new ATOM 0 HA PHE B 130 8.078 23.842 -30.773 1.00 0.00 H new ATOM 0 HB2 PHE B 130 7.785 23.524 -28.388 1.00 0.00 H new ATOM 0 HB3 PHE B 130 8.800 22.096 -28.392 1.00 0.00 H new ATOM 0 HD1 PHE B 130 8.944 25.745 -29.201 1.00 0.00 H new ATOM 0 HD2 PHE B 130 11.056 22.303 -27.846 1.00 0.00 H new ATOM 0 HE1 PHE B 130 10.906 27.141 -28.719 1.00 0.00 H new ATOM 0 HE2 PHE B 130 13.018 23.696 -27.359 1.00 0.00 H new ATOM 0 HZ PHE B 130 12.948 26.120 -27.796 1.00 0.00 H new ATOM 1108 N LYS B 131 10.213 21.308 -30.638 1.00 0.00 N ATOM 1109 CA LYS B 131 11.436 20.776 -31.228 1.00 0.00 C ATOM 1110 C LYS B 131 11.293 20.632 -32.738 1.00 0.00 C ATOM 1111 O LYS B 131 12.277 20.703 -33.474 1.00 0.00 O ATOM 1112 CB LYS B 131 11.779 19.421 -30.605 1.00 0.00 C ATOM 1113 CG LYS B 131 10.773 18.330 -30.929 1.00 0.00 C ATOM 1114 CD LYS B 131 11.303 16.955 -30.562 1.00 0.00 C ATOM 1115 CE LYS B 131 10.475 15.849 -31.199 1.00 0.00 C ATOM 1116 NZ LYS B 131 11.189 14.542 -31.184 1.00 0.00 N1+ ATOM 0 H LYS B 131 9.818 20.731 -29.895 1.00 0.00 H new ATOM 0 HA LYS B 131 12.244 21.478 -31.023 1.00 0.00 H new ATOM 0 HB2 LYS B 131 12.764 19.110 -30.952 1.00 0.00 H new ATOM 0 HB3 LYS B 131 11.844 19.534 -29.523 1.00 0.00 H new ATOM 0 HG2 LYS B 131 9.845 18.519 -30.390 1.00 0.00 H new ATOM 0 HG3 LYS B 131 10.535 18.357 -31.992 1.00 0.00 H new ATOM 0 HD2 LYS B 131 12.340 16.866 -30.885 1.00 0.00 H new ATOM 0 HD3 LYS B 131 11.295 16.838 -29.478 1.00 0.00 H new ATOM 0 HE2 LYS B 131 9.529 15.752 -30.667 1.00 0.00 H new ATOM 0 HE3 LYS B 131 10.236 16.121 -32.227 1.00 0.00 H new ATOM 0 HZ1 LYS B 131 10.592 13.815 -31.627 1.00 0.00 H new ATOM 0 HZ2 LYS B 131 12.080 14.627 -31.713 1.00 0.00 H new ATOM 0 HZ3 LYS B 131 11.394 14.270 -30.201 1.00 0.00 H new ATOM 1130 N ARG B 132 10.061 20.429 -33.195 1.00 0.00 N ATOM 1131 CA ARG B 132 9.790 20.275 -34.619 1.00 0.00 C ATOM 1132 C ARG B 132 9.838 21.623 -35.331 1.00 0.00 C ATOM 1133 O ARG B 132 10.238 21.709 -36.493 1.00 0.00 O ATOM 1134 CB ARG B 132 8.423 19.622 -34.832 1.00 0.00 C ATOM 1135 CG ARG B 132 8.464 18.102 -34.816 1.00 0.00 C ATOM 1136 CD ARG B 132 9.043 17.547 -36.109 1.00 0.00 C ATOM 1137 NE ARG B 132 8.059 17.531 -37.187 1.00 0.00 N ATOM 1138 CZ ARG B 132 8.239 16.893 -38.337 1.00 0.00 C ATOM 1139 NH1 ARG B 132 9.361 16.220 -38.558 1.00 0.00 N1+ ATOM 1140 NH2 ARG B 132 7.296 16.925 -39.270 1.00 0.00 N ATOM 0 H ARG B 132 9.235 20.367 -32.599 1.00 0.00 H new ATOM 0 HA ARG B 132 10.562 19.633 -35.042 1.00 0.00 H new ATOM 0 HB2 ARG B 132 7.740 19.967 -34.055 1.00 0.00 H new ATOM 0 HB3 ARG B 132 8.015 19.956 -35.786 1.00 0.00 H new ATOM 0 HG2 ARG B 132 9.064 17.762 -33.972 1.00 0.00 H new ATOM 0 HG3 ARG B 132 7.457 17.711 -34.670 1.00 0.00 H new ATOM 0 HD2 ARG B 132 9.900 18.149 -36.410 1.00 0.00 H new ATOM 0 HD3 ARG B 132 9.409 16.535 -35.937 1.00 0.00 H new ATOM 0 HE ARG B 132 7.185 18.038 -37.049 1.00 0.00 H new ATOM 0 HH11 ARG B 132 10.088 16.192 -37.843 1.00 0.00 H new ATOM 0 HH12 ARG B 132 9.496 15.731 -39.443 1.00 0.00 H new ATOM 0 HH21 ARG B 132 6.432 17.440 -39.104 1.00 0.00 H new ATOM 0 HH22 ARG B 132 7.436 16.434 -40.153 1.00 0.00 H new