USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=7 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 Set 1.1: B 127 TYR OH : rot 180:sc= 0.0184 USER MOD Set 1.2: B 131 LYS NZ :NH3+ 148:sc= 0.0221 (180deg=0) USER MOD Set 2.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 : B 113 TYR OH : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 136 N ILE A 10 12.644 9.109 -6.633 1.00 0.00 N ATOM 137 CA ILE A 10 13.282 10.353 -7.048 1.00 0.00 C ATOM 138 C ILE A 10 12.989 10.659 -8.512 1.00 0.00 C ATOM 139 O ILE A 10 12.538 11.749 -8.866 1.00 0.00 O ATOM 140 CB ILE A 10 14.807 10.300 -6.841 1.00 0.00 C ATOM 141 CG1 ILE A 10 15.142 9.556 -5.546 1.00 0.00 C ATOM 142 CG2 ILE A 10 15.387 11.705 -6.817 1.00 0.00 C ATOM 143 CD1 ILE A 10 14.373 10.060 -4.344 1.00 0.00 C ATOM 0 HA ILE A 10 12.866 11.144 -6.424 1.00 0.00 H new ATOM 0 HB ILE A 10 15.254 9.758 -7.675 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.934 8.495 -5.682 1.00 0.00 H new ATOM 0 HG13 ILE A 10 16.210 9.649 -5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 10 16.466 11.651 -6.670 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.174 12.203 -7.763 1.00 0.00 H new ATOM 0 HG23 ILE A 10 14.937 12.270 -6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.660 9.488 -3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.600 11.114 -4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.304 9.942 -4.520 1.00 0.00 H new ATOM 155 N PRO A 11 13.250 9.675 -9.386 1.00 0.00 N ATOM 156 CA PRO A 11 13.019 9.816 -10.827 1.00 0.00 C ATOM 157 C PRO A 11 11.536 9.864 -11.175 1.00 0.00 C ATOM 158 O PRO A 11 11.121 10.607 -12.064 1.00 0.00 O ATOM 159 CB PRO A 11 13.665 8.557 -11.413 1.00 0.00 C ATOM 160 CG PRO A 11 13.630 7.562 -10.304 1.00 0.00 C ATOM 161 CD PRO A 11 13.788 8.351 -9.035 1.00 0.00 C ATOM 0 HA PRO A 11 13.432 10.746 -11.217 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.116 8.199 -12.284 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.687 8.751 -11.739 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.691 7.009 -10.305 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.431 6.830 -10.411 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.237 7.899 -8.210 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.832 8.411 -8.726 1.00 0.00 H new ATOM 169 N VAL A 12 10.740 9.068 -10.468 1.00 0.00 N ATOM 170 CA VAL A 12 9.302 9.023 -10.700 1.00 0.00 C ATOM 171 C VAL A 12 8.694 10.420 -10.662 1.00 0.00 C ATOM 172 O VAL A 12 8.144 10.896 -11.655 1.00 0.00 O ATOM 173 CB VAL A 12 8.593 8.136 -9.659 1.00 0.00 C ATOM 174 CG1 VAL A 12 7.091 8.126 -9.901 1.00 0.00 C ATOM 175 CG2 VAL A 12 9.155 6.723 -9.690 1.00 0.00 C ATOM 0 H VAL A 12 11.067 8.445 -9.729 1.00 0.00 H new ATOM 0 HA VAL A 12 9.155 8.594 -11.691 1.00 0.00 H new ATOM 0 HB VAL A 12 8.775 8.553 -8.668 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.607 7.494 -9.156 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.703 9.142 -9.823 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.886 7.735 -10.897 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.642 6.111 -8.948 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.005 6.294 -10.681 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.221 6.750 -9.464 1.00 0.00 H new ATOM 185 N TYR A 13 8.796 11.072 -9.510 1.00 0.00 N ATOM 186 CA TYR A 13 8.255 12.415 -9.340 1.00 0.00 C ATOM 187 C TYR A 13 9.003 13.418 -10.213 1.00 0.00 C ATOM 188 O TYR A 13 8.399 14.307 -10.812 1.00 0.00 O ATOM 189 CB TYR A 13 8.338 12.839 -7.873 1.00 0.00 C ATOM 190 CG TYR A 13 7.190 12.331 -7.030 1.00 0.00 C ATOM 191 CD1 TYR A 13 6.911 10.972 -6.949 1.00 0.00 C ATOM 192 CD2 TYR A 13 6.384 13.209 -6.316 1.00 0.00 C ATOM 193 CE1 TYR A 13 5.863 10.503 -6.181 1.00 0.00 C ATOM 194 CE2 TYR A 13 5.335 12.748 -5.545 1.00 0.00 C ATOM 195 CZ TYR A 13 5.078 11.394 -5.481 1.00 0.00 C ATOM 196 OH TYR A 13 4.033 10.932 -4.713 1.00 0.00 O ATOM 0 H TYR A 13 9.249 10.692 -8.679 1.00 0.00 H new ATOM 0 HA TYR A 13 7.210 12.400 -9.649 1.00 0.00 H new ATOM 0 HB2 TYR A 13 9.276 12.477 -7.451 1.00 0.00 H new ATOM 0 HB3 TYR A 13 8.364 13.927 -7.819 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.524 10.271 -7.496 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.581 14.270 -6.365 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.660 9.444 -6.129 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.719 13.444 -4.995 1.00 0.00 H new ATOM 0 HH TYR A 13 3.582 11.689 -4.285 1.00 0.00 H new ATOM 206 N ALA A 14 10.322 13.267 -10.281 1.00 0.00 N ATOM 207 CA ALA A 14 11.152 14.157 -11.083 1.00 0.00 C ATOM 208 C ALA A 14 10.638 14.244 -12.516 1.00 0.00 C ATOM 209 O ALA A 14 10.397 15.334 -13.034 1.00 0.00 O ATOM 210 CB ALA A 14 12.598 13.685 -11.067 1.00 0.00 C ATOM 0 H ALA A 14 10.838 12.537 -9.790 1.00 0.00 H new ATOM 0 HA ALA A 14 11.101 15.154 -10.646 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.207 14.358 -11.670 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.968 13.681 -10.042 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.656 12.677 -11.478 1.00 0.00 H new ATOM 216 N SER A 15 10.473 13.089 -13.153 1.00 0.00 N ATOM 217 CA SER A 15 9.992 13.036 -14.528 1.00 0.00 C ATOM 218 C SER A 15 8.583 13.613 -14.633 1.00 0.00 C ATOM 219 O SER A 15 8.333 14.527 -15.421 1.00 0.00 O ATOM 220 CB SER A 15 10.004 11.594 -15.040 1.00 0.00 C ATOM 221 OG SER A 15 11.284 11.239 -15.534 1.00 0.00 O ATOM 0 H SER A 15 10.666 12.177 -12.738 1.00 0.00 H new ATOM 0 HA SER A 15 10.660 13.638 -15.144 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.721 10.916 -14.235 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.261 11.479 -15.829 1.00 0.00 H new ATOM 0 HG SER A 15 11.266 10.313 -15.854 1.00 0.00 H new ATOM 227 N ILE A 16 7.669 13.074 -13.835 1.00 0.00 N ATOM 228 CA ILE A 16 6.286 13.534 -13.838 1.00 0.00 C ATOM 229 C ILE A 16 6.212 15.052 -13.706 1.00 0.00 C ATOM 230 O ILE A 16 5.448 15.711 -14.411 1.00 0.00 O ATOM 231 CB ILE A 16 5.476 12.891 -12.697 1.00 0.00 C ATOM 232 CG1 ILE A 16 5.403 11.375 -12.886 1.00 0.00 C ATOM 233 CG2 ILE A 16 4.079 13.492 -12.635 1.00 0.00 C ATOM 234 CD1 ILE A 16 4.915 10.636 -11.660 1.00 0.00 C ATOM 0 H ILE A 16 7.861 12.318 -13.178 1.00 0.00 H new ATOM 0 HA ILE A 16 5.855 13.233 -14.793 1.00 0.00 H new ATOM 0 HB ILE A 16 5.980 13.096 -11.753 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.740 11.153 -13.722 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.391 11.003 -13.155 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.519 13.027 -11.824 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.152 14.565 -12.458 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.564 13.315 -13.579 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.889 9.566 -11.867 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.591 10.828 -10.826 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.914 10.981 -11.402 1.00 0.00 H new ATOM 246 N LEU A 17 7.014 15.600 -12.800 1.00 0.00 N ATOM 247 CA LEU A 17 7.041 17.042 -12.576 1.00 0.00 C ATOM 248 C LEU A 17 7.509 17.778 -13.827 1.00 0.00 C ATOM 249 O LEU A 17 7.010 18.855 -14.149 1.00 0.00 O ATOM 250 CB LEU A 17 7.959 17.378 -11.399 1.00 0.00 C ATOM 251 CG LEU A 17 7.267 17.622 -10.058 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.365 18.844 -10.137 1.00 0.00 C ATOM 253 CD2 LEU A 17 6.471 16.396 -9.636 1.00 0.00 C ATOM 0 H LEU A 17 7.654 15.069 -12.209 1.00 0.00 H new ATOM 0 HA LEU A 17 6.027 17.368 -12.343 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.671 16.562 -11.275 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.535 18.267 -11.655 1.00 0.00 H new ATOM 0 HG LEU A 17 8.033 17.809 -9.305 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.881 19.002 -9.173 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.961 19.720 -10.392 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.606 18.687 -10.903 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.986 16.589 -8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.714 16.177 -10.389 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.142 15.543 -9.537 1.00 0.00 H new ATOM 265 N ALA A 18 8.471 17.188 -14.529 1.00 0.00 N ATOM 266 CA ALA A 18 9.004 17.786 -15.748 1.00 0.00 C ATOM 267 C ALA A 18 7.922 17.914 -16.815 1.00 0.00 C ATOM 268 O ALA A 18 7.646 19.010 -17.304 1.00 0.00 O ATOM 269 CB ALA A 18 10.171 16.962 -16.273 1.00 0.00 C ATOM 0 H ALA A 18 8.897 16.297 -14.275 1.00 0.00 H new ATOM 0 HA ALA A 18 9.360 18.788 -15.507 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.559 17.420 -17.183 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.959 16.926 -15.520 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.832 15.949 -16.492 1.00 0.00 H new ATOM 275 N ALA A 19 7.312 16.789 -17.171 1.00 0.00 N ATOM 276 CA ALA A 19 6.259 16.777 -18.179 1.00 0.00 C ATOM 277 C ALA A 19 5.180 17.805 -17.858 1.00 0.00 C ATOM 278 O ALA A 19 4.695 18.509 -18.744 1.00 0.00 O ATOM 279 CB ALA A 19 5.651 15.387 -18.291 1.00 0.00 C ATOM 0 H ALA A 19 7.529 15.874 -16.776 1.00 0.00 H new ATOM 0 HA ALA A 19 6.704 17.044 -19.137 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.866 15.393 -19.047 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.424 14.674 -18.576 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.226 15.097 -17.330 1.00 0.00 H new ATOM 285 N VAL A 20 4.807 17.886 -16.585 1.00 0.00 N ATOM 286 CA VAL A 20 3.784 18.829 -16.146 1.00 0.00 C ATOM 287 C VAL A 20 4.251 20.269 -16.328 1.00 0.00 C ATOM 288 O VAL A 20 3.615 21.054 -17.031 1.00 0.00 O ATOM 289 CB VAL A 20 3.411 18.605 -14.669 1.00 0.00 C ATOM 290 CG1 VAL A 20 2.335 19.589 -14.235 1.00 0.00 C ATOM 291 CG2 VAL A 20 2.955 17.171 -14.447 1.00 0.00 C ATOM 0 H VAL A 20 5.198 17.310 -15.839 1.00 0.00 H new ATOM 0 HA VAL A 20 2.904 18.654 -16.765 1.00 0.00 H new ATOM 0 HB VAL A 20 4.296 18.779 -14.058 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.084 19.416 -13.189 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.703 20.608 -14.356 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.445 19.450 -14.849 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.695 17.030 -13.398 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.082 16.966 -15.067 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.760 16.487 -14.716 1.00 0.00 H new ATOM 301 N VAL A 21 5.365 20.610 -15.690 1.00 0.00 N ATOM 302 CA VAL A 21 5.919 21.956 -15.782 1.00 0.00 C ATOM 303 C VAL A 21 6.104 22.374 -17.236 1.00 0.00 C ATOM 304 O VAL A 21 5.743 23.485 -17.625 1.00 0.00 O ATOM 305 CB VAL A 21 7.271 22.058 -15.053 1.00 0.00 C ATOM 306 CG1 VAL A 21 7.858 23.453 -15.208 1.00 0.00 C ATOM 307 CG2 VAL A 21 7.112 21.698 -13.583 1.00 0.00 C ATOM 0 H VAL A 21 5.903 19.972 -15.103 1.00 0.00 H new ATOM 0 HA VAL A 21 5.206 22.626 -15.302 1.00 0.00 H new ATOM 0 HB VAL A 21 7.962 21.347 -15.505 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.813 23.506 -14.686 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.010 23.668 -16.266 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.172 24.186 -14.783 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.077 21.775 -13.083 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.405 22.383 -13.115 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.739 20.677 -13.497 1.00 0.00 H new ATOM 317 N VAL A 22 6.672 21.478 -18.037 1.00 0.00 N ATOM 318 CA VAL A 22 6.905 21.753 -19.449 1.00 0.00 C ATOM 319 C VAL A 22 5.593 21.987 -20.188 1.00 0.00 C ATOM 320 O VAL A 22 5.484 22.894 -21.012 1.00 0.00 O ATOM 321 CB VAL A 22 7.665 20.598 -20.128 1.00 0.00 C ATOM 322 CG1 VAL A 22 7.866 20.888 -21.608 1.00 0.00 C ATOM 323 CG2 VAL A 22 9.000 20.361 -19.437 1.00 0.00 C ATOM 0 H VAL A 22 6.979 20.555 -17.731 1.00 0.00 H new ATOM 0 HA VAL A 22 7.512 22.657 -19.499 1.00 0.00 H new ATOM 0 HB VAL A 22 7.068 19.690 -20.038 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.405 20.061 -22.071 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.896 21.005 -22.091 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.442 21.806 -21.724 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.524 19.542 -19.929 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.605 21.266 -19.495 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.828 20.106 -18.391 1.00 0.00 H new ATOM 333 N GLY A 23 4.595 21.161 -19.886 1.00 0.00 N ATOM 334 CA GLY A 23 3.301 21.294 -20.530 1.00 0.00 C ATOM 335 C GLY A 23 2.672 22.653 -20.294 1.00 0.00 C ATOM 336 O GLY A 23 2.100 23.248 -21.208 1.00 0.00 O ATOM 0 H GLY A 23 4.660 20.403 -19.207 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.414 21.131 -21.602 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.632 20.518 -20.158 1.00 0.00 H new ATOM 340 N LEU A 24 2.776 23.145 -19.063 1.00 0.00 N ATOM 341 CA LEU A 24 2.212 24.442 -18.709 1.00 0.00 C ATOM 342 C LEU A 24 3.019 25.576 -19.332 1.00 0.00 C ATOM 343 O LEU A 24 2.469 26.443 -20.012 1.00 0.00 O ATOM 344 CB LEU A 24 2.173 24.605 -17.189 1.00 0.00 C ATOM 345 CG LEU A 24 0.788 24.547 -16.542 1.00 0.00 C ATOM 346 CD1 LEU A 24 0.829 23.723 -15.265 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.272 25.950 -16.258 1.00 0.00 C ATOM 0 H LEU A 24 3.245 22.665 -18.295 1.00 0.00 H new ATOM 0 HA LEU A 24 1.196 24.487 -19.100 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.792 23.826 -16.744 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.631 25.561 -16.934 1.00 0.00 H new ATOM 0 HG LEU A 24 0.103 24.064 -17.239 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.165 23.693 -14.819 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.153 22.709 -15.497 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.528 24.176 -14.562 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.714 25.889 -15.798 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.957 26.460 -15.581 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.203 26.508 -17.192 1.00 0.00 H new ATOM 359 N VAL A 25 4.327 25.563 -19.098 1.00 0.00 N ATOM 360 CA VAL A 25 5.211 26.587 -19.640 1.00 0.00 C ATOM 361 C VAL A 25 5.141 26.626 -21.162 1.00 0.00 C ATOM 362 O VAL A 25 4.826 27.659 -21.753 1.00 0.00 O ATOM 363 CB VAL A 25 6.672 26.354 -19.209 1.00 0.00 C ATOM 364 CG1 VAL A 25 7.580 27.423 -19.798 1.00 0.00 C ATOM 365 CG2 VAL A 25 6.782 26.324 -17.693 1.00 0.00 C ATOM 0 H VAL A 25 4.798 24.854 -18.536 1.00 0.00 H new ATOM 0 HA VAL A 25 4.870 27.542 -19.240 1.00 0.00 H new ATOM 0 HB VAL A 25 6.996 25.386 -19.592 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.608 27.242 -19.483 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.523 27.390 -20.886 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.261 28.405 -19.448 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.821 26.158 -17.407 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.440 27.275 -17.285 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.164 25.517 -17.299 1.00 0.00 H new ATOM 375 N ALA A 26 5.438 25.494 -21.791 1.00 0.00 N ATOM 376 CA ALA A 26 5.407 25.397 -23.245 1.00 0.00 C ATOM 377 C ALA A 26 4.075 25.892 -23.800 1.00 0.00 C ATOM 378 O ALA A 26 4.036 26.812 -24.617 1.00 0.00 O ATOM 379 CB ALA A 26 5.662 23.963 -23.684 1.00 0.00 C ATOM 0 H ALA A 26 5.703 24.631 -21.316 1.00 0.00 H new ATOM 0 HA ALA A 26 6.197 26.034 -23.643 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.636 23.906 -24.772 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.640 23.642 -23.327 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.893 23.313 -23.268 1.00 0.00 H new ATOM 385 N TYR A 27 2.987 25.276 -23.351 1.00 0.00 N ATOM 386 CA TYR A 27 1.653 25.653 -23.805 1.00 0.00 C ATOM 387 C TYR A 27 1.449 27.161 -23.702 1.00 0.00 C ATOM 388 O TYR A 27 1.336 27.854 -24.713 1.00 0.00 O ATOM 389 CB TYR A 27 0.588 24.925 -22.984 1.00 0.00 C ATOM 390 CG TYR A 27 -0.815 25.099 -23.522 1.00 0.00 C ATOM 391 CD1 TYR A 27 -1.150 24.665 -24.798 1.00 0.00 C ATOM 392 CD2 TYR A 27 -1.805 25.699 -22.752 1.00 0.00 C ATOM 393 CE1 TYR A 27 -2.430 24.823 -25.293 1.00 0.00 C ATOM 394 CE2 TYR A 27 -3.088 25.859 -23.238 1.00 0.00 C ATOM 395 CZ TYR A 27 -3.395 25.421 -24.510 1.00 0.00 C ATOM 396 OH TYR A 27 -4.672 25.580 -24.999 1.00 0.00 O ATOM 0 H TYR A 27 3.002 24.514 -22.673 1.00 0.00 H new ATOM 0 HA TYR A 27 1.557 25.363 -24.851 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.828 23.862 -22.954 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.622 25.288 -21.957 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.397 24.196 -25.414 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.567 26.046 -21.757 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.674 24.480 -26.288 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.847 26.324 -22.626 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.229 26.017 -24.322 1.00 0.00 H new ATOM 406 N ILE A 28 1.401 27.662 -22.472 1.00 0.00 N ATOM 407 CA ILE A 28 1.212 29.088 -22.235 1.00 0.00 C ATOM 408 C ILE A 28 2.173 29.918 -23.078 1.00 0.00 C ATOM 409 O ILE A 28 1.753 30.783 -23.846 1.00 0.00 O ATOM 410 CB ILE A 28 1.412 29.443 -20.750 1.00 0.00 C ATOM 411 CG1 ILE A 28 0.381 28.715 -19.885 1.00 0.00 C ATOM 412 CG2 ILE A 28 1.314 30.948 -20.547 1.00 0.00 C ATOM 413 CD1 ILE A 28 0.898 28.343 -18.513 1.00 0.00 C ATOM 0 H ILE A 28 1.490 27.102 -21.624 1.00 0.00 H new ATOM 0 HA ILE A 28 0.187 29.322 -22.522 1.00 0.00 H new ATOM 0 HB ILE A 28 2.407 29.119 -20.445 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.499 29.348 -19.773 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.060 27.810 -20.401 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.457 31.183 -19.492 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.083 31.446 -21.138 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.331 31.295 -20.865 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.114 27.830 -17.955 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.760 27.684 -18.615 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.193 29.246 -17.978 1.00 0.00 H new ATOM 425 N ALA A 29 3.466 29.647 -22.932 1.00 0.00 N ATOM 426 CA ALA A 29 4.488 30.365 -23.684 1.00 0.00 C ATOM 427 C ALA A 29 4.119 30.457 -25.161 1.00 0.00 C ATOM 428 O ALA A 29 3.952 31.550 -25.702 1.00 0.00 O ATOM 429 CB ALA A 29 5.840 29.690 -23.515 1.00 0.00 C ATOM 0 H ALA A 29 3.831 28.935 -22.299 1.00 0.00 H new ATOM 0 HA ALA A 29 4.550 31.379 -23.289 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.593 30.237 -24.082 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.114 29.683 -22.460 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.783 28.665 -23.882 1.00 0.00 H new ATOM 435 N PHE A 30 3.996 29.303 -25.808 1.00 0.00 N ATOM 436 CA PHE A 30 3.651 29.253 -27.224 1.00 0.00 C ATOM 437 C PHE A 30 2.289 29.895 -27.473 1.00 0.00 C ATOM 438 O PHE A 30 1.989 30.329 -28.586 1.00 0.00 O ATOM 439 CB PHE A 30 3.643 27.805 -27.718 1.00 0.00 C ATOM 440 CG PHE A 30 4.999 27.302 -28.122 1.00 0.00 C ATOM 441 CD1 PHE A 30 5.592 27.736 -29.297 1.00 0.00 C ATOM 442 CD2 PHE A 30 5.682 26.396 -27.327 1.00 0.00 C ATOM 443 CE1 PHE A 30 6.840 27.275 -29.672 1.00 0.00 C ATOM 444 CE2 PHE A 30 6.930 25.932 -27.697 1.00 0.00 C ATOM 445 CZ PHE A 30 7.509 26.372 -28.871 1.00 0.00 C ATOM 0 H PHE A 30 4.130 28.390 -25.374 1.00 0.00 H new ATOM 0 HA PHE A 30 4.405 29.813 -27.777 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.246 27.163 -26.931 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.966 27.723 -28.568 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.073 28.443 -29.927 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.234 26.048 -26.408 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.291 27.621 -30.590 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.452 25.226 -27.068 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.484 26.010 -29.162 1.00 0.00 H new ATOM 455 N LYS A 31 1.468 29.952 -26.430 1.00 0.00 N ATOM 456 CA LYS A 31 0.139 30.541 -26.533 1.00 0.00 C ATOM 457 C LYS A 31 0.225 32.054 -26.707 1.00 0.00 C ATOM 458 O LYS A 31 -0.442 32.629 -27.566 1.00 0.00 O ATOM 459 CB LYS A 31 -0.688 30.206 -25.289 1.00 0.00 C ATOM 460 CG LYS A 31 -1.941 29.401 -25.591 1.00 0.00 C ATOM 461 CD LYS A 31 -2.867 29.340 -24.387 1.00 0.00 C ATOM 462 CE LYS A 31 -4.231 29.931 -24.705 1.00 0.00 C ATOM 463 NZ LYS A 31 -5.150 28.920 -25.300 1.00 0.00 N1+ ATOM 0 H LYS A 31 1.700 29.597 -25.503 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.350 30.120 -27.411 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.067 29.647 -24.589 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.973 31.133 -24.792 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.468 29.848 -26.434 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.662 28.390 -25.889 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.983 28.304 -24.068 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.419 29.882 -23.554 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.674 30.332 -23.794 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.113 30.765 -25.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.069 29.363 -25.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.740 28.555 -26.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.284 28.136 -24.630 1.00 0.00 H new ATOM 477 N ARG A 32 1.052 32.692 -25.885 1.00 0.00 N ATOM 478 CA ARG A 32 1.226 34.139 -25.948 1.00 0.00 C ATOM 479 C ARG A 32 2.226 34.519 -27.036 1.00 0.00 C ATOM 480 O ARG A 32 2.184 35.627 -27.571 1.00 0.00 O ATOM 481 CB ARG A 32 1.699 34.676 -24.596 1.00 0.00 C ATOM 482 CG ARG A 32 0.739 34.383 -23.455 1.00 0.00 C ATOM 483 CD ARG A 32 1.127 35.137 -22.193 1.00 0.00 C ATOM 484 NE ARG A 32 0.765 36.550 -22.266 1.00 0.00 N ATOM 485 CZ ARG A 32 -0.475 37.000 -22.102 1.00 0.00 C ATOM 486 NH1 ARG A 32 -1.464 36.154 -21.858 1.00 0.00 N1+ ATOM 487 NH2 ARG A 32 -0.725 38.301 -22.183 1.00 0.00 N ATOM 0 H ARG A 32 1.612 32.230 -25.168 1.00 0.00 H new ATOM 0 HA ARG A 32 0.262 34.586 -26.192 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.671 34.242 -24.362 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.841 35.754 -24.672 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.273 34.661 -23.749 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.730 33.312 -23.252 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.636 34.681 -21.333 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.201 35.046 -22.032 1.00 0.00 H new ATOM 0 HE ARG A 32 1.504 37.228 -22.453 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.276 35.154 -21.795 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.414 36.503 -21.733 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.034 38.956 -22.371 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.676 38.646 -22.057 1.00 0.00 H new ATOM 789 N ILE B 110 -10.940 11.703 -9.621 1.00 0.00 N ATOM 790 CA ILE B 110 -11.232 11.863 -11.040 1.00 0.00 C ATOM 791 C ILE B 110 -10.480 13.054 -11.626 1.00 0.00 C ATOM 792 O ILE B 110 -9.803 12.950 -12.649 1.00 0.00 O ATOM 793 CB ILE B 110 -12.742 12.052 -11.287 1.00 0.00 C ATOM 794 CG1 ILE B 110 -13.547 11.097 -10.405 1.00 0.00 C ATOM 795 CG2 ILE B 110 -13.070 11.831 -12.755 1.00 0.00 C ATOM 796 CD1 ILE B 110 -13.078 9.661 -10.483 1.00 0.00 C ATOM 0 HA ILE B 110 -10.902 10.949 -11.534 1.00 0.00 H new ATOM 0 HB ILE B 110 -13.014 13.075 -11.025 1.00 0.00 H new ATOM 0 HG12 ILE B 110 -13.488 11.434 -9.370 1.00 0.00 H new ATOM 0 HG13 ILE B 110 -14.596 11.144 -10.696 1.00 0.00 H new ATOM 0 HG21 ILE B 110 -14.140 11.968 -12.913 1.00 0.00 H new ATOM 0 HG22 ILE B 110 -12.518 12.548 -13.363 1.00 0.00 H new ATOM 0 HG23 ILE B 110 -12.787 10.818 -13.043 1.00 0.00 H new ATOM 0 HD11 ILE B 110 -13.694 9.041 -9.832 1.00 0.00 H new ATOM 0 HD12 ILE B 110 -13.163 9.306 -11.510 1.00 0.00 H new ATOM 0 HD13 ILE B 110 -12.038 9.600 -10.163 1.00 0.00 H new ATOM 808 N PRO B 111 -10.599 14.213 -10.962 1.00 0.00 N ATOM 809 CA PRO B 111 -9.935 15.446 -11.397 1.00 0.00 C ATOM 810 C PRO B 111 -8.422 15.384 -11.216 1.00 0.00 C ATOM 811 O PRO B 111 -7.667 15.882 -12.050 1.00 0.00 O ATOM 812 CB PRO B 111 -10.539 16.515 -10.482 1.00 0.00 C ATOM 813 CG PRO B 111 -10.967 15.774 -9.263 1.00 0.00 C ATOM 814 CD PRO B 111 -11.389 14.409 -9.735 1.00 0.00 C ATOM 0 HA PRO B 111 -10.087 15.638 -12.459 1.00 0.00 H new ATOM 0 HB2 PRO B 111 -9.809 17.287 -10.240 1.00 0.00 H new ATOM 0 HB3 PRO B 111 -11.383 17.013 -10.959 1.00 0.00 H new ATOM 0 HG2 PRO B 111 -10.152 15.703 -8.543 1.00 0.00 H new ATOM 0 HG3 PRO B 111 -11.790 16.286 -8.764 1.00 0.00 H new ATOM 0 HD2 PRO B 111 -11.173 13.642 -8.991 1.00 0.00 H new ATOM 0 HD3 PRO B 111 -12.460 14.366 -9.935 1.00 0.00 H new ATOM 822 N VAL B 112 -7.986 14.769 -10.122 1.00 0.00 N ATOM 823 CA VAL B 112 -6.562 14.640 -9.833 1.00 0.00 C ATOM 824 C VAL B 112 -5.811 14.050 -11.022 1.00 0.00 C ATOM 825 O VAL B 112 -4.951 14.704 -11.611 1.00 0.00 O ATOM 826 CB VAL B 112 -6.319 13.755 -8.596 1.00 0.00 C ATOM 827 CG1 VAL B 112 -4.828 13.605 -8.332 1.00 0.00 C ATOM 828 CG2 VAL B 112 -7.027 14.334 -7.380 1.00 0.00 C ATOM 0 H VAL B 112 -8.598 14.352 -9.421 1.00 0.00 H new ATOM 0 HA VAL B 112 -6.187 15.644 -9.632 1.00 0.00 H new ATOM 0 HB VAL B 112 -6.731 12.765 -8.792 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -4.675 12.977 -7.454 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -4.350 13.144 -9.196 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -4.389 14.587 -8.156 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -6.845 13.696 -6.515 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -6.646 15.335 -7.179 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -8.098 14.386 -7.573 1.00 0.00 H new ATOM 838 N TYR B 113 -6.144 12.812 -11.368 1.00 0.00 N ATOM 839 CA TYR B 113 -5.499 12.133 -12.486 1.00 0.00 C ATOM 840 C TYR B 113 -5.824 12.826 -13.805 1.00 0.00 C ATOM 841 O TYR B 113 -4.961 12.973 -14.671 1.00 0.00 O ATOM 842 CB TYR B 113 -5.942 10.670 -12.544 1.00 0.00 C ATOM 843 CG TYR B 113 -5.165 9.765 -11.615 1.00 0.00 C ATOM 844 CD1 TYR B 113 -5.110 10.019 -10.251 1.00 0.00 C ATOM 845 CD2 TYR B 113 -4.485 8.654 -12.103 1.00 0.00 C ATOM 846 CE1 TYR B 113 -4.401 9.195 -9.398 1.00 0.00 C ATOM 847 CE2 TYR B 113 -3.774 7.824 -11.257 1.00 0.00 C ATOM 848 CZ TYR B 113 -3.735 8.099 -9.905 1.00 0.00 C ATOM 849 OH TYR B 113 -3.027 7.276 -9.061 1.00 0.00 O ATOM 0 H TYR B 113 -6.856 12.258 -10.891 1.00 0.00 H new ATOM 0 HA TYR B 113 -4.421 12.175 -12.331 1.00 0.00 H new ATOM 0 HB2 TYR B 113 -7.001 10.610 -12.294 1.00 0.00 H new ATOM 0 HB3 TYR B 113 -5.834 10.307 -13.566 1.00 0.00 H new ATOM 0 HD1 TYR B 113 -5.631 10.876 -9.850 1.00 0.00 H new ATOM 0 HD2 TYR B 113 -4.513 8.436 -13.160 1.00 0.00 H new ATOM 0 HE1 TYR B 113 -4.369 9.408 -8.340 1.00 0.00 H new ATOM 0 HE2 TYR B 113 -3.252 6.965 -11.652 1.00 0.00 H new ATOM 0 HH TYR B 113 -2.618 6.551 -9.578 1.00 0.00 H new ATOM 859 N ALA B 114 -7.074 13.253 -13.951 1.00 0.00 N ATOM 860 CA ALA B 114 -7.513 13.935 -15.162 1.00 0.00 C ATOM 861 C ALA B 114 -6.600 15.110 -15.491 1.00 0.00 C ATOM 862 O ALA B 114 -6.075 15.210 -16.600 1.00 0.00 O ATOM 863 CB ALA B 114 -8.952 14.405 -15.010 1.00 0.00 C ATOM 0 H ALA B 114 -7.801 13.138 -13.245 1.00 0.00 H new ATOM 0 HA ALA B 114 -7.460 13.227 -15.989 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -9.267 14.913 -15.922 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -9.598 13.546 -14.831 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -9.023 15.094 -14.168 1.00 0.00 H new ATOM 869 N SER B 115 -6.418 16.002 -14.522 1.00 0.00 N ATOM 870 CA SER B 115 -5.573 17.175 -14.711 1.00 0.00 C ATOM 871 C SER B 115 -4.129 16.765 -14.984 1.00 0.00 C ATOM 872 O SER B 115 -3.539 17.164 -15.989 1.00 0.00 O ATOM 873 CB SER B 115 -5.634 18.078 -13.477 1.00 0.00 C ATOM 874 OG SER B 115 -6.751 18.947 -13.536 1.00 0.00 O ATOM 0 H SER B 115 -6.845 15.934 -13.598 1.00 0.00 H new ATOM 0 HA SER B 115 -5.946 17.726 -15.574 1.00 0.00 H new ATOM 0 HB2 SER B 115 -5.693 17.466 -12.577 1.00 0.00 H new ATOM 0 HB3 SER B 115 -4.717 18.663 -13.405 1.00 0.00 H new ATOM 0 HG SER B 115 -6.768 19.512 -12.736 1.00 0.00 H new ATOM 880 N ILE B 116 -3.565 15.968 -14.082 1.00 0.00 N ATOM 881 CA ILE B 116 -2.191 15.503 -14.226 1.00 0.00 C ATOM 882 C ILE B 116 -1.952 14.915 -15.612 1.00 0.00 C ATOM 883 O ILE B 116 -0.930 15.185 -16.245 1.00 0.00 O ATOM 884 CB ILE B 116 -1.842 14.444 -13.165 1.00 0.00 C ATOM 885 CG1 ILE B 116 -1.927 15.048 -11.761 1.00 0.00 C ATOM 886 CG2 ILE B 116 -0.453 13.876 -13.420 1.00 0.00 C ATOM 887 CD1 ILE B 116 -1.920 14.014 -10.657 1.00 0.00 C ATOM 0 H ILE B 116 -4.039 15.631 -13.244 1.00 0.00 H new ATOM 0 HA ILE B 116 -1.548 16.372 -14.087 1.00 0.00 H new ATOM 0 HB ILE B 116 -2.564 13.631 -13.234 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -1.088 15.729 -11.616 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -2.837 15.643 -11.685 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -0.221 13.129 -12.661 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -0.425 13.413 -14.406 1.00 0.00 H new ATOM 0 HG23 ILE B 116 0.282 14.679 -13.375 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -1.983 14.514 -9.690 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -2.774 13.348 -10.777 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -0.998 13.435 -10.707 1.00 0.00 H new ATOM 899 N LEU B 117 -2.901 14.112 -16.081 1.00 0.00 N ATOM 900 CA LEU B 117 -2.795 13.487 -17.395 1.00 0.00 C ATOM 901 C LEU B 117 -2.727 14.541 -18.495 1.00 0.00 C ATOM 902 O LEU B 117 -1.945 14.418 -19.438 1.00 0.00 O ATOM 903 CB LEU B 117 -3.986 12.557 -17.636 1.00 0.00 C ATOM 904 CG LEU B 117 -3.731 11.067 -17.408 1.00 0.00 C ATOM 905 CD1 LEU B 117 -2.716 10.540 -18.412 1.00 0.00 C ATOM 906 CD2 LEU B 117 -3.253 10.819 -15.985 1.00 0.00 C ATOM 0 H LEU B 117 -3.753 13.878 -15.571 1.00 0.00 H new ATOM 0 HA LEU B 117 -1.875 12.903 -17.420 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -4.803 12.869 -16.985 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -4.326 12.694 -18.662 1.00 0.00 H new ATOM 0 HG LEU B 117 -4.669 10.531 -17.554 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -2.547 9.478 -18.235 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -3.097 10.683 -19.423 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -1.777 11.081 -18.298 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -3.077 9.753 -15.841 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -2.327 11.367 -15.812 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -4.013 11.159 -15.281 1.00 0.00 H new ATOM 918 N ALA B 118 -3.550 15.577 -18.367 1.00 0.00 N ATOM 919 CA ALA B 118 -3.580 16.654 -19.349 1.00 0.00 C ATOM 920 C ALA B 118 -2.215 17.325 -19.469 1.00 0.00 C ATOM 921 O ALA B 118 -1.704 17.520 -20.572 1.00 0.00 O ATOM 922 CB ALA B 118 -4.642 17.677 -18.977 1.00 0.00 C ATOM 0 H ALA B 118 -4.204 15.693 -17.593 1.00 0.00 H new ATOM 0 HA ALA B 118 -3.830 16.223 -20.318 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -4.654 18.476 -19.719 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -5.619 17.194 -18.949 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -4.416 18.096 -17.996 1.00 0.00 H new ATOM 928 N ALA B 119 -1.631 17.676 -18.328 1.00 0.00 N ATOM 929 CA ALA B 119 -0.325 18.324 -18.306 1.00 0.00 C ATOM 930 C ALA B 119 0.729 17.459 -18.989 1.00 0.00 C ATOM 931 O ALA B 119 1.589 17.964 -19.709 1.00 0.00 O ATOM 932 CB ALA B 119 0.088 18.630 -16.875 1.00 0.00 C ATOM 0 H ALA B 119 -2.041 17.523 -17.407 1.00 0.00 H new ATOM 0 HA ALA B 119 -0.403 19.260 -18.859 1.00 0.00 H new ATOM 0 HB1 ALA B 119 1.065 19.114 -16.874 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -0.646 19.294 -16.418 1.00 0.00 H new ATOM 0 HB3 ALA B 119 0.142 17.702 -16.306 1.00 0.00 H new ATOM 938 N VAL B 120 0.655 16.152 -18.758 1.00 0.00 N ATOM 939 CA VAL B 120 1.602 15.216 -19.351 1.00 0.00 C ATOM 940 C VAL B 120 1.335 15.033 -20.840 1.00 0.00 C ATOM 941 O VAL B 120 2.265 14.945 -21.643 1.00 0.00 O ATOM 942 CB VAL B 120 1.544 13.841 -18.658 1.00 0.00 C ATOM 943 CG1 VAL B 120 1.313 12.737 -19.678 1.00 0.00 C ATOM 944 CG2 VAL B 120 2.817 13.590 -17.865 1.00 0.00 C ATOM 0 H VAL B 120 -0.051 15.718 -18.164 1.00 0.00 H new ATOM 0 HA VAL B 120 2.595 15.642 -19.212 1.00 0.00 H new ATOM 0 HB VAL B 120 0.705 13.839 -17.963 1.00 0.00 H new ATOM 0 HG11 VAL B 120 1.275 11.774 -19.169 1.00 0.00 H new ATOM 0 HG12 VAL B 120 0.370 12.911 -20.196 1.00 0.00 H new ATOM 0 HG13 VAL B 120 2.128 12.733 -20.401 1.00 0.00 H new ATOM 0 HG21 VAL B 120 2.759 12.614 -17.382 1.00 0.00 H new ATOM 0 HG22 VAL B 120 3.675 13.611 -18.537 1.00 0.00 H new ATOM 0 HG23 VAL B 120 2.932 14.364 -17.106 1.00 0.00 H new ATOM 954 N VAL B 121 0.058 14.977 -21.204 1.00 0.00 N ATOM 955 CA VAL B 121 -0.333 14.807 -22.599 1.00 0.00 C ATOM 956 C VAL B 121 0.037 16.031 -23.428 1.00 0.00 C ATOM 957 O VAL B 121 0.526 15.911 -24.551 1.00 0.00 O ATOM 958 CB VAL B 121 -1.847 14.550 -22.730 1.00 0.00 C ATOM 959 CG1 VAL B 121 -2.261 14.537 -24.193 1.00 0.00 C ATOM 960 CG2 VAL B 121 -2.225 13.243 -22.048 1.00 0.00 C ATOM 0 H VAL B 121 -0.724 15.047 -20.553 1.00 0.00 H new ATOM 0 HA VAL B 121 0.210 13.940 -22.976 1.00 0.00 H new ATOM 0 HB VAL B 121 -2.381 15.360 -22.234 1.00 0.00 H new ATOM 0 HG11 VAL B 121 -3.333 14.354 -24.266 1.00 0.00 H new ATOM 0 HG12 VAL B 121 -2.025 15.500 -24.646 1.00 0.00 H new ATOM 0 HG13 VAL B 121 -1.722 13.748 -24.717 1.00 0.00 H new ATOM 0 HG21 VAL B 121 -3.297 13.076 -22.150 1.00 0.00 H new ATOM 0 HG22 VAL B 121 -1.684 12.420 -22.514 1.00 0.00 H new ATOM 0 HG23 VAL B 121 -1.965 13.296 -20.991 1.00 0.00 H new ATOM 970 N VAL B 122 -0.200 17.213 -22.865 1.00 0.00 N ATOM 971 CA VAL B 122 0.110 18.461 -23.551 1.00 0.00 C ATOM 972 C VAL B 122 1.616 18.689 -23.626 1.00 0.00 C ATOM 973 O VAL B 122 2.139 19.122 -24.652 1.00 0.00 O ATOM 974 CB VAL B 122 -0.545 19.666 -22.848 1.00 0.00 C ATOM 975 CG1 VAL B 122 -0.262 20.949 -23.613 1.00 0.00 C ATOM 976 CG2 VAL B 122 -2.042 19.443 -22.698 1.00 0.00 C ATOM 0 H VAL B 122 -0.605 17.331 -21.936 1.00 0.00 H new ATOM 0 HA VAL B 122 -0.292 18.375 -24.560 1.00 0.00 H new ATOM 0 HB VAL B 122 -0.113 19.764 -21.852 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -0.732 21.789 -23.102 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.815 21.112 -23.664 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -0.665 20.867 -24.622 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -2.490 20.303 -22.200 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -2.492 19.319 -23.683 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -2.219 18.547 -22.104 1.00 0.00 H new ATOM 986 N GLY B 123 2.309 18.392 -22.530 1.00 0.00 N ATOM 987 CA GLY B 123 3.749 18.570 -22.492 1.00 0.00 C ATOM 988 C GLY B 123 4.465 17.719 -23.521 1.00 0.00 C ATOM 989 O GLY B 123 5.435 18.162 -24.138 1.00 0.00 O ATOM 0 H GLY B 123 1.899 18.032 -21.668 1.00 0.00 H new ATOM 0 HA2 GLY B 123 3.987 19.620 -22.664 1.00 0.00 H new ATOM 0 HA3 GLY B 123 4.117 18.319 -21.497 1.00 0.00 H new ATOM 993 N LEU B 124 3.989 16.493 -23.707 1.00 0.00 N ATOM 994 CA LEU B 124 4.593 15.576 -24.668 1.00 0.00 C ATOM 995 C LEU B 124 4.331 16.036 -26.099 1.00 0.00 C ATOM 996 O LEU B 124 5.259 16.199 -26.889 1.00 0.00 O ATOM 997 CB LEU B 124 4.043 14.162 -24.467 1.00 0.00 C ATOM 998 CG LEU B 124 5.036 13.127 -23.936 1.00 0.00 C ATOM 999 CD1 LEU B 124 4.363 12.214 -22.922 1.00 0.00 C ATOM 1000 CD2 LEU B 124 5.623 12.314 -25.079 1.00 0.00 C ATOM 0 H LEU B 124 3.187 16.111 -23.206 1.00 0.00 H new ATOM 0 HA LEU B 124 5.670 15.569 -24.499 1.00 0.00 H new ATOM 0 HB2 LEU B 124 3.201 14.216 -23.777 1.00 0.00 H new ATOM 0 HB3 LEU B 124 3.652 13.806 -25.420 1.00 0.00 H new ATOM 0 HG LEU B 124 5.849 13.655 -23.438 1.00 0.00 H new ATOM 0 HD11 LEU B 124 5.084 11.484 -22.555 1.00 0.00 H new ATOM 0 HD12 LEU B 124 3.991 12.809 -22.087 1.00 0.00 H new ATOM 0 HD13 LEU B 124 3.530 11.695 -23.396 1.00 0.00 H new ATOM 0 HD21 LEU B 124 6.327 11.583 -24.681 1.00 0.00 H new ATOM 0 HD22 LEU B 124 4.822 11.796 -25.606 1.00 0.00 H new ATOM 0 HD23 LEU B 124 6.142 12.979 -25.770 1.00 0.00 H new ATOM 1012 N VAL B 125 3.059 16.247 -26.423 1.00 0.00 N ATOM 1013 CA VAL B 125 2.674 16.693 -27.757 1.00 0.00 C ATOM 1014 C VAL B 125 3.280 18.055 -28.078 1.00 0.00 C ATOM 1015 O VAL B 125 4.003 18.208 -29.062 1.00 0.00 O ATOM 1016 CB VAL B 125 1.144 16.777 -27.902 1.00 0.00 C ATOM 1017 CG1 VAL B 125 0.764 17.264 -29.292 1.00 0.00 C ATOM 1018 CG2 VAL B 125 0.505 15.428 -27.606 1.00 0.00 C ATOM 0 H VAL B 125 2.278 16.116 -25.780 1.00 0.00 H new ATOM 0 HA VAL B 125 3.057 15.953 -28.460 1.00 0.00 H new ATOM 0 HB VAL B 125 0.767 17.498 -27.176 1.00 0.00 H new ATOM 0 HG11 VAL B 125 -0.322 17.317 -29.375 1.00 0.00 H new ATOM 0 HG12 VAL B 125 1.189 18.254 -29.460 1.00 0.00 H new ATOM 0 HG13 VAL B 125 1.152 16.571 -30.039 1.00 0.00 H new ATOM 0 HG21 VAL B 125 -0.577 15.506 -27.713 1.00 0.00 H new ATOM 0 HG22 VAL B 125 0.886 14.684 -28.305 1.00 0.00 H new ATOM 0 HG23 VAL B 125 0.747 15.126 -26.587 1.00 0.00 H new ATOM 1028 N ALA B 126 2.981 19.042 -27.240 1.00 0.00 N ATOM 1029 CA ALA B 126 3.497 20.390 -27.432 1.00 0.00 C ATOM 1030 C ALA B 126 5.008 20.375 -27.643 1.00 0.00 C ATOM 1031 O ALA B 126 5.502 20.795 -28.690 1.00 0.00 O ATOM 1032 CB ALA B 126 3.139 21.268 -26.241 1.00 0.00 C ATOM 0 H ALA B 126 2.383 18.932 -26.421 1.00 0.00 H new ATOM 0 HA ALA B 126 3.034 20.804 -28.328 1.00 0.00 H new ATOM 0 HB1 ALA B 126 3.531 22.273 -26.399 1.00 0.00 H new ATOM 0 HB2 ALA B 126 2.055 21.314 -26.136 1.00 0.00 H new ATOM 0 HB3 ALA B 126 3.574 20.847 -25.335 1.00 0.00 H new ATOM 1038 N TYR B 127 5.735 19.890 -26.644 1.00 0.00 N ATOM 1039 CA TYR B 127 7.189 19.823 -26.719 1.00 0.00 C ATOM 1040 C TYR B 127 7.639 19.235 -28.053 1.00 0.00 C ATOM 1041 O TYR B 127 8.187 19.940 -28.901 1.00 0.00 O ATOM 1042 CB TYR B 127 7.743 18.982 -25.567 1.00 0.00 C ATOM 1043 CG TYR B 127 9.249 19.037 -25.446 1.00 0.00 C ATOM 1044 CD1 TYR B 127 9.902 20.236 -25.191 1.00 0.00 C ATOM 1045 CD2 TYR B 127 10.018 17.888 -25.587 1.00 0.00 C ATOM 1046 CE1 TYR B 127 11.279 20.290 -25.082 1.00 0.00 C ATOM 1047 CE2 TYR B 127 11.395 17.932 -25.477 1.00 0.00 C ATOM 1048 CZ TYR B 127 12.021 19.136 -25.225 1.00 0.00 C ATOM 1049 OH TYR B 127 13.391 19.185 -25.114 1.00 0.00 O ATOM 0 H TYR B 127 5.341 19.537 -25.772 1.00 0.00 H new ATOM 0 HA TYR B 127 7.578 20.838 -26.639 1.00 0.00 H new ATOM 0 HB2 TYR B 127 7.299 19.325 -24.632 1.00 0.00 H new ATOM 0 HB3 TYR B 127 7.436 17.945 -25.705 1.00 0.00 H new ATOM 0 HD1 TYR B 127 9.324 21.141 -25.076 1.00 0.00 H new ATOM 0 HD2 TYR B 127 9.531 16.945 -25.786 1.00 0.00 H new ATOM 0 HE1 TYR B 127 11.771 21.231 -24.886 1.00 0.00 H new ATOM 0 HE2 TYR B 127 11.978 17.030 -25.588 1.00 0.00 H new ATOM 0 HH TYR B 127 13.762 18.287 -25.240 1.00 0.00 H new ATOM 1059 N ILE B 128 7.403 17.940 -28.231 1.00 0.00 N ATOM 1060 CA ILE B 128 7.782 17.257 -29.463 1.00 0.00 C ATOM 1061 C ILE B 128 7.355 18.057 -30.688 1.00 0.00 C ATOM 1062 O ILE B 128 8.182 18.420 -31.525 1.00 0.00 O ATOM 1063 CB ILE B 128 7.161 15.850 -29.539 1.00 0.00 C ATOM 1064 CG1 ILE B 128 7.686 14.973 -28.402 1.00 0.00 C ATOM 1065 CG2 ILE B 128 7.460 15.212 -30.888 1.00 0.00 C ATOM 1066 CD1 ILE B 128 6.697 13.926 -27.939 1.00 0.00 C ATOM 0 H ILE B 128 6.951 17.342 -27.539 1.00 0.00 H new ATOM 0 HA ILE B 128 8.868 17.166 -29.453 1.00 0.00 H new ATOM 0 HB ILE B 128 6.080 15.941 -29.432 1.00 0.00 H new ATOM 0 HG12 ILE B 128 8.600 14.478 -28.729 1.00 0.00 H new ATOM 0 HG13 ILE B 128 7.952 15.608 -27.557 1.00 0.00 H new ATOM 0 HG21 ILE B 128 7.015 14.218 -30.927 1.00 0.00 H new ATOM 0 HG22 ILE B 128 7.041 15.829 -31.683 1.00 0.00 H new ATOM 0 HG23 ILE B 128 8.539 15.132 -31.021 1.00 0.00 H new ATOM 0 HD11 ILE B 128 7.137 13.342 -27.131 1.00 0.00 H new ATOM 0 HD12 ILE B 128 5.791 14.415 -27.581 1.00 0.00 H new ATOM 0 HD13 ILE B 128 6.449 13.266 -28.771 1.00 0.00 H new ATOM 1078 N ALA B 129 6.058 18.331 -30.788 1.00 0.00 N ATOM 1079 CA ALA B 129 5.521 19.091 -31.909 1.00 0.00 C ATOM 1080 C ALA B 129 6.368 20.329 -32.188 1.00 0.00 C ATOM 1081 O ALA B 129 6.987 20.444 -33.246 1.00 0.00 O ATOM 1082 CB ALA B 129 4.077 19.487 -31.635 1.00 0.00 C ATOM 0 H ALA B 129 5.360 18.037 -30.105 1.00 0.00 H new ATOM 0 HA ALA B 129 5.550 18.456 -32.794 1.00 0.00 H new ATOM 0 HB1 ALA B 129 3.689 20.054 -32.481 1.00 0.00 H new ATOM 0 HB2 ALA B 129 3.475 18.590 -31.492 1.00 0.00 H new ATOM 0 HB3 ALA B 129 4.032 20.101 -30.735 1.00 0.00 H new ATOM 1088 N PHE B 130 6.389 21.253 -31.232 1.00 0.00 N ATOM 1089 CA PHE B 130 7.158 22.484 -31.376 1.00 0.00 C ATOM 1090 C PHE B 130 8.622 22.178 -31.678 1.00 0.00 C ATOM 1091 O PHE B 130 9.330 22.991 -32.271 1.00 0.00 O ATOM 1092 CB PHE B 130 7.052 23.328 -30.105 1.00 0.00 C ATOM 1093 CG PHE B 130 5.694 23.937 -29.902 1.00 0.00 C ATOM 1094 CD1 PHE B 130 5.161 24.804 -30.842 1.00 0.00 C ATOM 1095 CD2 PHE B 130 4.951 23.643 -28.769 1.00 0.00 C ATOM 1096 CE1 PHE B 130 3.912 25.365 -30.657 1.00 0.00 C ATOM 1097 CE2 PHE B 130 3.702 24.202 -28.579 1.00 0.00 C ATOM 1098 CZ PHE B 130 3.182 25.065 -29.524 1.00 0.00 C ATOM 0 H PHE B 130 5.883 21.172 -30.350 1.00 0.00 H new ATOM 0 HA PHE B 130 6.743 23.047 -32.212 1.00 0.00 H new ATOM 0 HB2 PHE B 130 7.295 22.706 -29.244 1.00 0.00 H new ATOM 0 HB3 PHE B 130 7.796 24.123 -30.143 1.00 0.00 H new ATOM 0 HD1 PHE B 130 5.728 25.044 -31.729 1.00 0.00 H new ATOM 0 HD2 PHE B 130 5.353 22.969 -28.027 1.00 0.00 H new ATOM 0 HE1 PHE B 130 3.507 26.038 -31.398 1.00 0.00 H new ATOM 0 HE2 PHE B 130 3.133 23.965 -27.692 1.00 0.00 H new ATOM 0 HZ PHE B 130 2.206 25.504 -29.377 1.00 0.00 H new ATOM 1108 N LYS B 131 9.072 20.998 -31.263 1.00 0.00 N ATOM 1109 CA LYS B 131 10.451 20.582 -31.487 1.00 0.00 C ATOM 1110 C LYS B 131 10.695 20.278 -32.961 1.00 0.00 C ATOM 1111 O LYS B 131 11.711 20.679 -33.528 1.00 0.00 O ATOM 1112 CB LYS B 131 10.777 19.349 -30.641 1.00 0.00 C ATOM 1113 CG LYS B 131 11.871 19.588 -29.614 1.00 0.00 C ATOM 1114 CD LYS B 131 12.351 18.286 -28.997 1.00 0.00 C ATOM 1115 CE LYS B 131 13.840 18.076 -29.226 1.00 0.00 C ATOM 1116 NZ LYS B 131 14.660 18.723 -28.164 1.00 0.00 N1+ ATOM 0 H LYS B 131 8.500 20.313 -30.769 1.00 0.00 H new ATOM 0 HA LYS B 131 11.104 21.403 -31.190 1.00 0.00 H new ATOM 0 HB2 LYS B 131 9.873 19.022 -30.127 1.00 0.00 H new ATOM 0 HB3 LYS B 131 11.081 18.536 -31.301 1.00 0.00 H new ATOM 0 HG2 LYS B 131 12.710 20.098 -30.087 1.00 0.00 H new ATOM 0 HG3 LYS B 131 11.498 20.247 -28.830 1.00 0.00 H new ATOM 0 HD2 LYS B 131 12.144 18.291 -27.927 1.00 0.00 H new ATOM 0 HD3 LYS B 131 11.795 17.452 -29.426 1.00 0.00 H new ATOM 0 HE2 LYS B 131 14.057 17.008 -29.252 1.00 0.00 H new ATOM 0 HE3 LYS B 131 14.119 18.482 -30.198 1.00 0.00 H new ATOM 0 HZ1 LYS B 131 15.526 18.169 -28.008 1.00 0.00 H new ATOM 0 HZ2 LYS B 131 14.914 19.687 -28.461 1.00 0.00 H new ATOM 0 HZ3 LYS B 131 14.113 18.766 -27.281 1.00 0.00 H new ATOM 1130 N ARG B 132 9.755 19.569 -33.578 1.00 0.00 N ATOM 1131 CA ARG B 132 9.868 19.213 -34.987 1.00 0.00 C ATOM 1132 C ARG B 132 9.443 20.376 -35.879 1.00 0.00 C ATOM 1133 O ARG B 132 9.884 20.488 -37.023 1.00 0.00 O ATOM 1134 CB ARG B 132 9.012 17.982 -35.294 1.00 0.00 C ATOM 1135 CG ARG B 132 9.395 16.756 -34.482 1.00 0.00 C ATOM 1136 CD ARG B 132 8.687 15.509 -34.987 1.00 0.00 C ATOM 1137 NE ARG B 132 9.288 14.999 -36.217 1.00 0.00 N ATOM 1138 CZ ARG B 132 10.427 14.317 -36.251 1.00 0.00 C ATOM 1139 NH1 ARG B 132 11.086 14.064 -35.128 1.00 0.00 N1+ ATOM 1140 NH2 ARG B 132 10.910 13.887 -37.410 1.00 0.00 N ATOM 0 H ARG B 132 8.907 19.230 -33.124 1.00 0.00 H new ATOM 0 HA ARG B 132 10.913 18.982 -35.194 1.00 0.00 H new ATOM 0 HB2 ARG B 132 7.966 18.221 -35.104 1.00 0.00 H new ATOM 0 HB3 ARG B 132 9.097 17.746 -36.355 1.00 0.00 H new ATOM 0 HG2 ARG B 132 10.474 16.608 -34.531 1.00 0.00 H new ATOM 0 HG3 ARG B 132 9.143 16.919 -33.434 1.00 0.00 H new ATOM 0 HD2 ARG B 132 8.722 14.736 -34.219 1.00 0.00 H new ATOM 0 HD3 ARG B 132 7.636 15.736 -35.164 1.00 0.00 H new ATOM 0 HE ARG B 132 8.806 15.177 -37.098 1.00 0.00 H new ATOM 0 HH11 ARG B 132 10.718 14.393 -34.236 1.00 0.00 H new ATOM 0 HH12 ARG B 132 11.961 13.540 -35.157 1.00 0.00 H new ATOM 0 HH21 ARG B 132 10.406 14.080 -38.276 1.00 0.00 H new ATOM 0 HH22 ARG B 132 11.785 13.363 -37.435 1.00 0.00 H new