USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 315 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 171 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 172 THR OG1 : rot 180:sc= -0.0207 USER MOD Single : A 174 THR OG1 : rot 160:sc= -0.61 USER MOD Single : A 182 THR OG1 : rot -89:sc= 1.18 USER MOD Single : A 184 SER OG : rot 35:sc= -0.225 USER MOD Single : A 186 THR OG1 : rot -19:sc= 0.491 USER MOD Single : B 172 THR OG1 : rot 180:sc= 0 USER MOD Single : B 174 THR OG1 : rot 180:sc= 0 USER MOD Single : B 182 THR OG1 : rot 57:sc= 1.15 USER MOD Single : B 184 SER OG : rot -1:sc= 0.186 USER MOD Single : B 186 THR OG1 : rot -95:sc= 1.21 USER MOD Single : B 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 191 MET CE :methyl 146:sc= -0.437 (180deg=-2.41!) USER MOD ----------------------------------------------------------------- ATOM 76 N GLN A 171 6.507 -14.117 16.872 1.00 0.00 N ATOM 77 CA GLN A 171 7.660 -13.892 15.941 1.00 0.00 C ATOM 78 C GLN A 171 8.918 -13.565 16.749 1.00 0.00 C ATOM 79 O GLN A 171 10.018 -13.998 16.391 1.00 0.00 O ATOM 80 CB GLN A 171 7.328 -12.728 14.977 1.00 0.00 C ATOM 81 CG GLN A 171 7.059 -13.246 13.552 1.00 0.00 C ATOM 82 CD GLN A 171 6.156 -12.272 12.803 1.00 0.00 C ATOM 83 OE1 GLN A 171 5.103 -12.663 12.300 1.00 0.00 O ATOM 84 NE2 GLN A 171 6.506 -11.018 12.698 1.00 0.00 N ATOM 0 HA GLN A 171 7.839 -14.796 15.358 1.00 0.00 H new ATOM 0 HB2 GLN A 171 6.454 -12.188 15.342 1.00 0.00 H new ATOM 0 HB3 GLN A 171 8.156 -12.019 14.959 1.00 0.00 H new ATOM 0 HG2 GLN A 171 8.001 -13.366 13.016 1.00 0.00 H new ATOM 0 HG3 GLN A 171 6.590 -14.229 13.596 1.00 0.00 H new ATOM 0 HE21 GLN A 171 7.379 -10.696 13.115 1.00 0.00 H new ATOM 0 HE22 GLN A 171 5.906 -10.361 12.199 1.00 0.00 H new ATOM 93 N THR A 172 8.780 -12.804 17.814 1.00 0.00 N ATOM 94 CA THR A 172 9.968 -12.425 18.646 1.00 0.00 C ATOM 95 C THR A 172 10.573 -13.669 19.296 1.00 0.00 C ATOM 96 O THR A 172 11.792 -13.866 19.254 1.00 0.00 O ATOM 97 CB THR A 172 9.552 -11.432 19.735 1.00 0.00 C ATOM 98 OG1 THR A 172 8.457 -11.963 20.468 1.00 0.00 O ATOM 99 CG2 THR A 172 9.142 -10.107 19.090 1.00 0.00 C ATOM 0 H THR A 172 7.890 -12.429 18.142 1.00 0.00 H new ATOM 0 HA THR A 172 10.712 -11.960 17.999 1.00 0.00 H new ATOM 0 HB THR A 172 10.391 -11.261 20.410 1.00 0.00 H new ATOM 0 HG1 THR A 172 8.192 -11.328 21.166 1.00 0.00 H new ATOM 0 HG21 THR A 172 8.846 -9.401 19.866 1.00 0.00 H new ATOM 0 HG22 THR A 172 9.984 -9.699 18.530 1.00 0.00 H new ATOM 0 HG23 THR A 172 8.304 -10.275 18.414 1.00 0.00 H new ATOM 107 N VAL A 173 9.756 -14.498 19.905 1.00 0.00 N ATOM 108 CA VAL A 173 10.279 -15.733 20.574 1.00 0.00 C ATOM 109 C VAL A 173 10.800 -16.723 19.531 1.00 0.00 C ATOM 110 O VAL A 173 11.817 -17.386 19.758 1.00 0.00 O ATOM 111 CB VAL A 173 9.197 -16.398 21.442 1.00 0.00 C ATOM 112 CG1 VAL A 173 8.823 -15.460 22.591 1.00 0.00 C ATOM 113 CG2 VAL A 173 7.945 -16.695 20.608 1.00 0.00 C ATOM 0 H VAL A 173 8.746 -14.371 19.967 1.00 0.00 H new ATOM 0 HA VAL A 173 11.101 -15.438 21.226 1.00 0.00 H new ATOM 0 HB VAL A 173 9.591 -17.335 21.835 1.00 0.00 H new ATOM 0 HG11 VAL A 173 8.056 -15.928 23.208 1.00 0.00 H new ATOM 0 HG12 VAL A 173 9.705 -15.259 23.199 1.00 0.00 H new ATOM 0 HG13 VAL A 173 8.441 -14.523 22.186 1.00 0.00 H new ATOM 0 HG21 VAL A 173 7.191 -17.165 21.239 1.00 0.00 H new ATOM 0 HG22 VAL A 173 7.549 -15.764 20.202 1.00 0.00 H new ATOM 0 HG23 VAL A 173 8.204 -17.367 19.790 1.00 0.00 H new ATOM 123 N THR A 174 10.118 -16.854 18.410 1.00 0.00 N ATOM 124 CA THR A 174 10.559 -17.827 17.357 1.00 0.00 C ATOM 125 C THR A 174 11.910 -17.412 16.774 1.00 0.00 C ATOM 126 O THR A 174 12.788 -18.261 16.586 1.00 0.00 O ATOM 127 CB THR A 174 9.518 -17.895 16.237 1.00 0.00 C ATOM 128 OG1 THR A 174 9.250 -16.583 15.760 1.00 0.00 O ATOM 129 CG2 THR A 174 8.228 -18.519 16.772 1.00 0.00 C ATOM 0 H THR A 174 9.275 -16.327 18.182 1.00 0.00 H new ATOM 0 HA THR A 174 10.660 -18.809 17.818 1.00 0.00 H new ATOM 0 HB THR A 174 9.903 -18.507 15.421 1.00 0.00 H new ATOM 0 HG1 THR A 174 8.853 -16.635 14.866 1.00 0.00 H new ATOM 0 HG21 THR A 174 7.488 -18.566 15.973 1.00 0.00 H new ATOM 0 HG22 THR A 174 8.434 -19.526 17.136 1.00 0.00 H new ATOM 0 HG23 THR A 174 7.841 -17.910 17.589 1.00 0.00 H new ATOM 137 N ILE A 175 12.096 -16.139 16.488 1.00 0.00 N ATOM 138 CA ILE A 175 13.402 -15.674 15.914 1.00 0.00 C ATOM 139 C ILE A 175 14.512 -15.853 16.957 1.00 0.00 C ATOM 140 O ILE A 175 15.645 -16.209 16.616 1.00 0.00 O ATOM 141 CB ILE A 175 13.302 -14.205 15.429 1.00 0.00 C ATOM 142 CG1 ILE A 175 14.584 -13.827 14.664 1.00 0.00 C ATOM 143 CG2 ILE A 175 13.103 -13.240 16.607 1.00 0.00 C ATOM 144 CD1 ILE A 175 14.524 -14.381 13.237 1.00 0.00 C ATOM 0 H ILE A 175 11.401 -15.406 16.628 1.00 0.00 H new ATOM 0 HA ILE A 175 13.648 -16.280 15.042 1.00 0.00 H new ATOM 0 HB ILE A 175 12.437 -14.122 14.771 1.00 0.00 H new ATOM 0 HG12 ILE A 175 14.696 -12.743 14.638 1.00 0.00 H new ATOM 0 HG13 ILE A 175 15.457 -14.225 15.181 1.00 0.00 H new ATOM 0 HG21 ILE A 175 13.037 -12.218 16.233 1.00 0.00 H new ATOM 0 HG22 ILE A 175 12.183 -13.494 17.134 1.00 0.00 H new ATOM 0 HG23 ILE A 175 13.948 -13.322 17.291 1.00 0.00 H new ATOM 0 HD11 ILE A 175 15.434 -14.109 12.703 1.00 0.00 H new ATOM 0 HD12 ILE A 175 14.434 -15.467 13.272 1.00 0.00 H new ATOM 0 HD13 ILE A 175 13.661 -13.962 12.720 1.00 0.00 H new ATOM 156 N PHE A 176 14.206 -15.602 18.213 1.00 0.00 N ATOM 157 CA PHE A 176 15.223 -15.736 19.304 1.00 0.00 C ATOM 158 C PHE A 176 15.699 -17.190 19.377 1.00 0.00 C ATOM 159 O PHE A 176 16.903 -17.464 19.449 1.00 0.00 O ATOM 160 CB PHE A 176 14.576 -15.342 20.648 1.00 0.00 C ATOM 161 CG PHE A 176 15.593 -14.727 21.584 1.00 0.00 C ATOM 162 CD1 PHE A 176 15.916 -13.376 21.454 1.00 0.00 C ATOM 163 CD2 PHE A 176 16.197 -15.499 22.583 1.00 0.00 C ATOM 164 CE1 PHE A 176 16.843 -12.788 22.322 1.00 0.00 C ATOM 165 CE2 PHE A 176 17.126 -14.913 23.452 1.00 0.00 C ATOM 166 CZ PHE A 176 17.448 -13.557 23.322 1.00 0.00 C ATOM 0 H PHE A 176 13.282 -15.307 18.529 1.00 0.00 H new ATOM 0 HA PHE A 176 16.072 -15.084 19.099 1.00 0.00 H new ATOM 0 HB2 PHE A 176 13.766 -14.635 20.471 1.00 0.00 H new ATOM 0 HB3 PHE A 176 14.134 -16.223 21.114 1.00 0.00 H new ATOM 0 HD1 PHE A 176 15.450 -12.783 20.682 1.00 0.00 H new ATOM 0 HD2 PHE A 176 15.947 -16.545 22.684 1.00 0.00 H new ATOM 0 HE1 PHE A 176 17.091 -11.742 22.220 1.00 0.00 H new ATOM 0 HE2 PHE A 176 17.594 -15.508 24.223 1.00 0.00 H new ATOM 0 HZ PHE A 176 18.163 -13.105 23.993 1.00 0.00 H new ATOM 176 N VAL A 177 14.768 -18.117 19.366 1.00 0.00 N ATOM 177 CA VAL A 177 15.110 -19.573 19.448 1.00 0.00 C ATOM 178 C VAL A 177 15.844 -20.008 18.175 1.00 0.00 C ATOM 179 O VAL A 177 16.777 -20.815 18.243 1.00 0.00 O ATOM 180 CB VAL A 177 13.835 -20.419 19.664 1.00 0.00 C ATOM 181 CG1 VAL A 177 14.200 -21.903 19.805 1.00 0.00 C ATOM 182 CG2 VAL A 177 13.124 -19.958 20.945 1.00 0.00 C ATOM 0 H VAL A 177 13.769 -17.921 19.303 1.00 0.00 H new ATOM 0 HA VAL A 177 15.768 -19.734 20.302 1.00 0.00 H new ATOM 0 HB VAL A 177 13.178 -20.288 18.804 1.00 0.00 H new ATOM 0 HG11 VAL A 177 13.293 -22.488 19.957 1.00 0.00 H new ATOM 0 HG12 VAL A 177 14.703 -22.242 18.899 1.00 0.00 H new ATOM 0 HG13 VAL A 177 14.864 -22.035 20.659 1.00 0.00 H new ATOM 0 HG21 VAL A 177 12.225 -20.555 21.097 1.00 0.00 H new ATOM 0 HG22 VAL A 177 13.792 -20.084 21.797 1.00 0.00 H new ATOM 0 HG23 VAL A 177 12.850 -18.907 20.851 1.00 0.00 H new ATOM 192 N ALA A 178 15.429 -19.515 17.026 1.00 0.00 N ATOM 193 CA ALA A 178 16.081 -19.920 15.742 1.00 0.00 C ATOM 194 C ALA A 178 17.564 -19.558 15.771 1.00 0.00 C ATOM 195 O ALA A 178 18.396 -20.326 15.280 1.00 0.00 O ATOM 196 CB ALA A 178 15.403 -19.219 14.564 1.00 0.00 C ATOM 0 H ALA A 178 14.664 -18.848 16.927 1.00 0.00 H new ATOM 0 HA ALA A 178 15.978 -20.999 15.623 1.00 0.00 H new ATOM 0 HB1 ALA A 178 15.885 -19.521 13.634 1.00 0.00 H new ATOM 0 HB2 ALA A 178 14.349 -19.497 14.533 1.00 0.00 H new ATOM 0 HB3 ALA A 178 15.490 -18.139 14.684 1.00 0.00 H new ATOM 202 N GLY A 179 17.914 -18.418 16.335 1.00 0.00 N ATOM 203 CA GLY A 179 19.353 -18.016 16.402 1.00 0.00 C ATOM 204 C GLY A 179 20.113 -19.020 17.266 1.00 0.00 C ATOM 205 O GLY A 179 21.251 -19.383 16.951 1.00 0.00 O ATOM 0 H GLY A 179 17.261 -17.753 16.750 1.00 0.00 H new ATOM 0 HA2 GLY A 179 19.781 -17.982 15.400 1.00 0.00 H new ATOM 0 HA3 GLY A 179 19.444 -17.014 16.821 1.00 0.00 H new ATOM 209 N VAL A 180 19.505 -19.479 18.345 1.00 0.00 N ATOM 210 CA VAL A 180 20.178 -20.475 19.240 1.00 0.00 C ATOM 211 C VAL A 180 20.292 -21.808 18.495 1.00 0.00 C ATOM 212 O VAL A 180 21.324 -22.484 18.558 1.00 0.00 O ATOM 213 CB VAL A 180 19.362 -20.679 20.536 1.00 0.00 C ATOM 214 CG1 VAL A 180 20.106 -21.625 21.486 1.00 0.00 C ATOM 215 CG2 VAL A 180 19.142 -19.337 21.244 1.00 0.00 C ATOM 0 H VAL A 180 18.569 -19.202 18.640 1.00 0.00 H new ATOM 0 HA VAL A 180 21.167 -20.105 19.508 1.00 0.00 H new ATOM 0 HB VAL A 180 18.398 -21.111 20.267 1.00 0.00 H new ATOM 0 HG11 VAL A 180 19.521 -21.761 22.396 1.00 0.00 H new ATOM 0 HG12 VAL A 180 20.250 -22.590 21.000 1.00 0.00 H new ATOM 0 HG13 VAL A 180 21.076 -21.198 21.739 1.00 0.00 H new ATOM 0 HG21 VAL A 180 18.566 -19.497 22.155 1.00 0.00 H new ATOM 0 HG22 VAL A 180 20.106 -18.897 21.497 1.00 0.00 H new ATOM 0 HG23 VAL A 180 18.597 -18.662 20.584 1.00 0.00 H new ATOM 225 N LEU A 181 19.233 -22.201 17.826 1.00 0.00 N ATOM 226 CA LEU A 181 19.211 -23.505 17.090 1.00 0.00 C ATOM 227 C LEU A 181 20.210 -23.503 15.932 1.00 0.00 C ATOM 228 O LEU A 181 20.912 -24.497 15.716 1.00 0.00 O ATOM 229 CB LEU A 181 17.798 -23.740 16.528 1.00 0.00 C ATOM 230 CG LEU A 181 17.510 -25.264 16.358 1.00 0.00 C ATOM 231 CD1 LEU A 181 16.576 -25.750 17.473 1.00 0.00 C ATOM 232 CD2 LEU A 181 16.835 -25.530 15.003 1.00 0.00 C ATOM 0 H LEU A 181 18.369 -21.663 17.758 1.00 0.00 H new ATOM 0 HA LEU A 181 19.487 -24.298 17.785 1.00 0.00 H new ATOM 0 HB2 LEU A 181 17.059 -23.299 17.197 1.00 0.00 H new ATOM 0 HB3 LEU A 181 17.697 -23.238 15.566 1.00 0.00 H new ATOM 0 HG LEU A 181 18.459 -25.799 16.408 1.00 0.00 H new ATOM 0 HD11 LEU A 181 16.381 -26.815 17.346 1.00 0.00 H new ATOM 0 HD12 LEU A 181 17.047 -25.580 18.441 1.00 0.00 H new ATOM 0 HD13 LEU A 181 15.636 -25.201 17.425 1.00 0.00 H new ATOM 0 HD21 LEU A 181 16.640 -26.597 14.897 1.00 0.00 H new ATOM 0 HD22 LEU A 181 15.894 -24.982 14.951 1.00 0.00 H new ATOM 0 HD23 LEU A 181 17.492 -25.200 14.198 1.00 0.00 H new ATOM 244 N THR A 182 20.269 -22.427 15.178 1.00 0.00 N ATOM 245 CA THR A 182 21.198 -22.361 14.003 1.00 0.00 C ATOM 246 C THR A 182 22.645 -22.368 14.476 1.00 0.00 C ATOM 247 O THR A 182 23.474 -23.119 13.948 1.00 0.00 O ATOM 248 CB THR A 182 20.935 -21.077 13.204 1.00 0.00 C ATOM 249 OG1 THR A 182 20.605 -20.026 14.102 1.00 0.00 O ATOM 250 CG2 THR A 182 19.780 -21.288 12.222 1.00 0.00 C ATOM 0 H THR A 182 19.710 -21.588 15.328 1.00 0.00 H new ATOM 0 HA THR A 182 21.022 -23.230 13.370 1.00 0.00 H new ATOM 0 HB THR A 182 21.832 -20.819 12.642 1.00 0.00 H new ATOM 0 HG1 THR A 182 19.638 -20.022 14.259 1.00 0.00 H new ATOM 0 HG21 THR A 182 19.605 -20.369 11.663 1.00 0.00 H new ATOM 0 HG22 THR A 182 20.033 -22.091 11.530 1.00 0.00 H new ATOM 0 HG23 THR A 182 18.878 -21.554 12.773 1.00 0.00 H new ATOM 258 N ALA A 183 22.962 -21.551 15.450 1.00 0.00 N ATOM 259 CA ALA A 183 24.362 -21.494 15.966 1.00 0.00 C ATOM 260 C ALA A 183 24.735 -22.831 16.588 1.00 0.00 C ATOM 261 O ALA A 183 25.887 -23.266 16.485 1.00 0.00 O ATOM 262 CB ALA A 183 24.501 -20.371 16.989 1.00 0.00 C ATOM 0 H ALA A 183 22.307 -20.919 15.911 1.00 0.00 H new ATOM 0 HA ALA A 183 25.041 -21.290 15.138 1.00 0.00 H new ATOM 0 HB1 ALA A 183 25.526 -20.340 17.358 1.00 0.00 H new ATOM 0 HB2 ALA A 183 24.255 -19.419 16.519 1.00 0.00 H new ATOM 0 HB3 ALA A 183 23.821 -20.551 17.822 1.00 0.00 H new ATOM 268 N SER A 184 23.787 -23.504 17.204 1.00 0.00 N ATOM 269 CA SER A 184 24.070 -24.839 17.814 1.00 0.00 C ATOM 270 C SER A 184 24.643 -25.753 16.728 1.00 0.00 C ATOM 271 O SER A 184 25.579 -26.520 16.970 1.00 0.00 O ATOM 272 CB SER A 184 22.779 -25.442 18.371 1.00 0.00 C ATOM 273 OG SER A 184 22.972 -26.828 18.613 1.00 0.00 O ATOM 0 H SER A 184 22.825 -23.180 17.309 1.00 0.00 H new ATOM 0 HA SER A 184 24.784 -24.733 18.631 1.00 0.00 H new ATOM 0 HB2 SER A 184 22.497 -24.936 19.294 1.00 0.00 H new ATOM 0 HB3 SER A 184 21.962 -25.295 17.665 1.00 0.00 H new ATOM 0 HG SER A 184 23.890 -26.982 18.919 1.00 0.00 H new ATOM 279 N LEU A 185 24.082 -25.678 15.539 1.00 0.00 N ATOM 280 CA LEU A 185 24.549 -26.531 14.394 1.00 0.00 C ATOM 281 C LEU A 185 25.991 -26.171 14.006 1.00 0.00 C ATOM 282 O LEU A 185 26.785 -27.062 13.685 1.00 0.00 O ATOM 283 CB LEU A 185 23.633 -26.400 13.133 1.00 0.00 C ATOM 284 CG LEU A 185 22.164 -26.007 13.458 1.00 0.00 C ATOM 285 CD1 LEU A 185 21.345 -26.026 12.167 1.00 0.00 C ATOM 286 CD2 LEU A 185 21.537 -26.986 14.464 1.00 0.00 C ATOM 0 H LEU A 185 23.309 -25.052 15.312 1.00 0.00 H new ATOM 0 HA LEU A 185 24.500 -27.564 14.740 1.00 0.00 H new ATOM 0 HB2 LEU A 185 24.059 -25.653 12.463 1.00 0.00 H new ATOM 0 HB3 LEU A 185 23.634 -27.348 12.595 1.00 0.00 H new ATOM 0 HG LEU A 185 22.163 -25.010 13.899 1.00 0.00 H new ATOM 0 HD11 LEU A 185 20.313 -25.751 12.387 1.00 0.00 H new ATOM 0 HD12 LEU A 185 21.767 -25.314 11.458 1.00 0.00 H new ATOM 0 HD13 LEU A 185 21.370 -27.026 11.735 1.00 0.00 H new ATOM 0 HD21 LEU A 185 20.510 -26.686 14.672 1.00 0.00 H new ATOM 0 HD22 LEU A 185 21.543 -27.992 14.045 1.00 0.00 H new ATOM 0 HD23 LEU A 185 22.113 -26.975 15.389 1.00 0.00 H new ATOM 298 N THR A 186 26.335 -24.894 13.987 1.00 0.00 N ATOM 299 CA THR A 186 27.716 -24.474 13.571 1.00 0.00 C ATOM 300 C THR A 186 28.740 -24.791 14.652 1.00 0.00 C ATOM 301 O THR A 186 29.826 -25.298 14.349 1.00 0.00 O ATOM 302 CB THR A 186 27.742 -22.970 13.287 1.00 0.00 C ATOM 303 OG1 THR A 186 27.225 -22.270 14.410 1.00 0.00 O ATOM 304 CG2 THR A 186 26.892 -22.664 12.056 1.00 0.00 C ATOM 0 H THR A 186 25.714 -24.127 14.243 1.00 0.00 H new ATOM 0 HA THR A 186 27.974 -25.030 12.670 1.00 0.00 H new ATOM 0 HB THR A 186 28.768 -22.653 13.101 1.00 0.00 H new ATOM 0 HG1 THR A 186 26.697 -22.883 14.963 1.00 0.00 H new ATOM 0 HG21 THR A 186 26.913 -21.593 11.857 1.00 0.00 H new ATOM 0 HG22 THR A 186 27.291 -23.201 11.196 1.00 0.00 H new ATOM 0 HG23 THR A 186 25.864 -22.980 12.236 1.00 0.00 H new ATOM 312 N ILE A 187 28.436 -24.478 15.888 1.00 0.00 N ATOM 313 CA ILE A 187 29.411 -24.727 16.995 1.00 0.00 C ATOM 314 C ILE A 187 29.712 -26.220 17.074 1.00 0.00 C ATOM 315 O ILE A 187 30.875 -26.611 17.186 1.00 0.00 O ATOM 316 CB ILE A 187 28.863 -24.235 18.349 1.00 0.00 C ATOM 317 CG1 ILE A 187 28.437 -22.757 18.250 1.00 0.00 C ATOM 318 CG2 ILE A 187 29.957 -24.371 19.421 1.00 0.00 C ATOM 319 CD1 ILE A 187 27.503 -22.416 19.415 1.00 0.00 C ATOM 0 H ILE A 187 27.552 -24.060 16.178 1.00 0.00 H new ATOM 0 HA ILE A 187 30.324 -24.171 16.781 1.00 0.00 H new ATOM 0 HB ILE A 187 27.997 -24.839 18.618 1.00 0.00 H new ATOM 0 HG12 ILE A 187 29.315 -22.112 18.273 1.00 0.00 H new ATOM 0 HG13 ILE A 187 27.933 -22.575 17.301 1.00 0.00 H new ATOM 0 HG21 ILE A 187 29.572 -24.024 20.380 1.00 0.00 H new ATOM 0 HG22 ILE A 187 30.255 -25.416 19.507 1.00 0.00 H new ATOM 0 HG23 ILE A 187 30.821 -23.770 19.138 1.00 0.00 H new ATOM 0 HD11 ILE A 187 27.201 -21.371 19.346 1.00 0.00 H new ATOM 0 HD12 ILE A 187 26.619 -23.052 19.371 1.00 0.00 H new ATOM 0 HD13 ILE A 187 28.023 -22.582 20.359 1.00 0.00 H new ATOM 331 N TRP A 188 28.697 -27.055 17.024 1.00 0.00 N ATOM 332 CA TRP A 188 28.926 -28.532 17.103 1.00 0.00 C ATOM 333 C TRP A 188 29.860 -28.962 15.963 1.00 0.00 C ATOM 334 O TRP A 188 30.673 -29.876 16.132 1.00 0.00 O ATOM 335 CB TRP A 188 27.577 -29.293 17.000 1.00 0.00 C ATOM 336 CG TRP A 188 27.231 -29.993 18.293 1.00 0.00 C ATOM 337 CD1 TRP A 188 28.052 -30.826 18.984 1.00 0.00 C ATOM 338 CD2 TRP A 188 25.983 -29.947 19.044 1.00 0.00 C ATOM 339 NE1 TRP A 188 27.391 -31.276 20.111 1.00 0.00 N ATOM 340 CE2 TRP A 188 26.112 -30.766 20.192 1.00 0.00 C ATOM 341 CE3 TRP A 188 24.763 -29.274 18.845 1.00 0.00 C ATOM 342 CZ2 TRP A 188 25.069 -30.914 21.107 1.00 0.00 C ATOM 343 CZ3 TRP A 188 23.710 -29.423 19.764 1.00 0.00 C ATOM 344 CH2 TRP A 188 23.864 -30.241 20.893 1.00 0.00 C ATOM 0 H TRP A 188 27.721 -26.775 16.932 1.00 0.00 H new ATOM 0 HA TRP A 188 29.386 -28.773 18.061 1.00 0.00 H new ATOM 0 HB2 TRP A 188 26.783 -28.593 16.741 1.00 0.00 H new ATOM 0 HB3 TRP A 188 27.632 -30.024 16.194 1.00 0.00 H new ATOM 0 HD1 TRP A 188 29.059 -31.093 18.699 1.00 0.00 H new ATOM 0 HE1 TRP A 188 27.799 -31.908 20.799 1.00 0.00 H new ATOM 0 HE3 TRP A 188 24.635 -28.639 17.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 188 25.193 -31.545 21.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 188 22.777 -28.905 19.600 1.00 0.00 H new ATOM 0 HH2 TRP A 188 23.052 -30.350 21.596 1.00 0.00 H new ATOM 517 N THR B 172 14.835 -6.240 14.892 1.00 0.00 N ATOM 518 CA THR B 172 14.939 -7.698 14.554 1.00 0.00 C ATOM 519 C THR B 172 16.405 -8.142 14.527 1.00 0.00 C ATOM 520 O THR B 172 16.738 -9.218 15.032 1.00 0.00 O ATOM 521 CB THR B 172 14.279 -7.986 13.192 1.00 0.00 C ATOM 522 OG1 THR B 172 14.444 -9.361 12.878 1.00 0.00 O ATOM 523 CG2 THR B 172 14.920 -7.133 12.088 1.00 0.00 C ATOM 0 HA THR B 172 14.415 -8.263 15.325 1.00 0.00 H new ATOM 0 HB THR B 172 13.220 -7.737 13.254 1.00 0.00 H new ATOM 0 HG1 THR B 172 14.025 -9.552 12.013 1.00 0.00 H new ATOM 0 HG21 THR B 172 14.440 -7.352 11.134 1.00 0.00 H new ATOM 0 HG22 THR B 172 14.793 -6.077 12.325 1.00 0.00 H new ATOM 0 HG23 THR B 172 15.983 -7.365 12.020 1.00 0.00 H new ATOM 531 N VAL B 173 17.274 -7.360 13.929 1.00 0.00 N ATOM 532 CA VAL B 173 18.722 -7.749 13.847 1.00 0.00 C ATOM 533 C VAL B 173 19.378 -7.717 15.229 1.00 0.00 C ATOM 534 O VAL B 173 20.148 -8.620 15.567 1.00 0.00 O ATOM 535 CB VAL B 173 19.497 -6.838 12.874 1.00 0.00 C ATOM 536 CG1 VAL B 173 19.037 -7.119 11.443 1.00 0.00 C ATOM 537 CG2 VAL B 173 19.260 -5.356 13.194 1.00 0.00 C ATOM 0 H VAL B 173 17.043 -6.467 13.493 1.00 0.00 H new ATOM 0 HA VAL B 173 18.761 -8.769 13.464 1.00 0.00 H new ATOM 0 HB VAL B 173 20.561 -7.050 12.981 1.00 0.00 H new ATOM 0 HG11 VAL B 173 19.583 -6.476 10.752 1.00 0.00 H new ATOM 0 HG12 VAL B 173 19.230 -8.163 11.197 1.00 0.00 H new ATOM 0 HG13 VAL B 173 17.969 -6.918 11.358 1.00 0.00 H new ATOM 0 HG21 VAL B 173 19.819 -4.738 12.491 1.00 0.00 H new ATOM 0 HG22 VAL B 173 18.197 -5.131 13.109 1.00 0.00 H new ATOM 0 HG23 VAL B 173 19.595 -5.145 14.209 1.00 0.00 H new ATOM 547 N THR B 174 19.117 -6.696 16.018 1.00 0.00 N ATOM 548 CA THR B 174 19.760 -6.585 17.374 1.00 0.00 C ATOM 549 C THR B 174 19.308 -7.715 18.300 1.00 0.00 C ATOM 550 O THR B 174 20.134 -8.285 19.023 1.00 0.00 O ATOM 551 CB THR B 174 19.441 -5.225 18.019 1.00 0.00 C ATOM 552 OG1 THR B 174 19.980 -5.195 19.334 1.00 0.00 O ATOM 553 CG2 THR B 174 17.928 -5.001 18.087 1.00 0.00 C ATOM 0 H THR B 174 18.484 -5.932 15.781 1.00 0.00 H new ATOM 0 HA THR B 174 20.837 -6.668 17.231 1.00 0.00 H new ATOM 0 HB THR B 174 19.884 -4.435 17.412 1.00 0.00 H new ATOM 0 HG1 THR B 174 19.781 -4.330 19.749 1.00 0.00 H new ATOM 0 HG21 THR B 174 17.724 -4.034 18.546 1.00 0.00 H new ATOM 0 HG22 THR B 174 17.512 -5.020 17.080 1.00 0.00 H new ATOM 0 HG23 THR B 174 17.470 -5.790 18.683 1.00 0.00 H new ATOM 561 N ILE B 175 18.032 -8.046 18.312 1.00 0.00 N ATOM 562 CA ILE B 175 17.544 -9.138 19.221 1.00 0.00 C ATOM 563 C ILE B 175 18.148 -10.478 18.778 1.00 0.00 C ATOM 564 O ILE B 175 18.503 -11.312 19.618 1.00 0.00 O ATOM 565 CB ILE B 175 15.992 -9.176 19.251 1.00 0.00 C ATOM 566 CG1 ILE B 175 15.526 -9.969 20.486 1.00 0.00 C ATOM 567 CG2 ILE B 175 15.412 -9.819 17.973 1.00 0.00 C ATOM 568 CD1 ILE B 175 15.674 -9.111 21.746 1.00 0.00 C ATOM 0 H ILE B 175 17.313 -7.609 17.735 1.00 0.00 H new ATOM 0 HA ILE B 175 17.872 -8.939 20.241 1.00 0.00 H new ATOM 0 HB ILE B 175 15.629 -8.150 19.302 1.00 0.00 H new ATOM 0 HG12 ILE B 175 14.486 -10.272 20.363 1.00 0.00 H new ATOM 0 HG13 ILE B 175 16.114 -10.881 20.586 1.00 0.00 H new ATOM 0 HG21 ILE B 175 14.324 -9.827 18.032 1.00 0.00 H new ATOM 0 HG22 ILE B 175 15.724 -9.243 17.102 1.00 0.00 H new ATOM 0 HG23 ILE B 175 15.778 -10.842 17.882 1.00 0.00 H new ATOM 0 HD11 ILE B 175 15.342 -9.680 22.615 1.00 0.00 H new ATOM 0 HD12 ILE B 175 16.719 -8.830 21.874 1.00 0.00 H new ATOM 0 HD13 ILE B 175 15.066 -8.212 21.647 1.00 0.00 H new ATOM 580 N PHE B 176 18.269 -10.694 17.484 1.00 0.00 N ATOM 581 CA PHE B 176 18.850 -11.974 16.970 1.00 0.00 C ATOM 582 C PHE B 176 20.267 -12.132 17.520 1.00 0.00 C ATOM 583 O PHE B 176 20.656 -13.222 17.950 1.00 0.00 O ATOM 584 CB PHE B 176 18.899 -11.959 15.434 1.00 0.00 C ATOM 585 CG PHE B 176 18.956 -13.379 14.888 1.00 0.00 C ATOM 586 CD1 PHE B 176 20.076 -14.189 15.133 1.00 0.00 C ATOM 587 CD2 PHE B 176 17.889 -13.881 14.130 1.00 0.00 C ATOM 588 CE1 PHE B 176 20.126 -15.491 14.624 1.00 0.00 C ATOM 589 CE2 PHE B 176 17.940 -15.184 13.621 1.00 0.00 C ATOM 590 CZ PHE B 176 19.058 -15.989 13.868 1.00 0.00 C ATOM 0 H PHE B 176 17.987 -10.032 16.761 1.00 0.00 H new ATOM 0 HA PHE B 176 18.226 -12.807 17.294 1.00 0.00 H new ATOM 0 HB2 PHE B 176 18.020 -11.447 15.041 1.00 0.00 H new ATOM 0 HB3 PHE B 176 19.771 -11.399 15.098 1.00 0.00 H new ATOM 0 HD1 PHE B 176 20.901 -13.806 15.716 1.00 0.00 H new ATOM 0 HD2 PHE B 176 17.026 -13.261 13.938 1.00 0.00 H new ATOM 0 HE1 PHE B 176 20.989 -16.112 14.814 1.00 0.00 H new ATOM 0 HE2 PHE B 176 17.116 -15.568 13.038 1.00 0.00 H new ATOM 0 HZ PHE B 176 19.097 -16.994 13.475 1.00 0.00 H new ATOM 600 N VAL B 177 21.040 -11.064 17.509 1.00 0.00 N ATOM 601 CA VAL B 177 22.447 -11.125 18.022 1.00 0.00 C ATOM 602 C VAL B 177 22.430 -11.460 19.520 1.00 0.00 C ATOM 603 O VAL B 177 23.282 -12.216 19.997 1.00 0.00 O ATOM 604 CB VAL B 177 23.173 -9.786 17.758 1.00 0.00 C ATOM 605 CG1 VAL B 177 24.601 -9.824 18.321 1.00 0.00 C ATOM 606 CG2 VAL B 177 23.252 -9.547 16.249 1.00 0.00 C ATOM 0 H VAL B 177 20.751 -10.149 17.164 1.00 0.00 H new ATOM 0 HA VAL B 177 22.993 -11.908 17.496 1.00 0.00 H new ATOM 0 HB VAL B 177 22.616 -8.987 18.246 1.00 0.00 H new ATOM 0 HG11 VAL B 177 25.095 -8.872 18.125 1.00 0.00 H new ATOM 0 HG12 VAL B 177 24.564 -9.999 19.396 1.00 0.00 H new ATOM 0 HG13 VAL B 177 25.160 -10.628 17.842 1.00 0.00 H new ATOM 0 HG21 VAL B 177 23.763 -8.604 16.056 1.00 0.00 H new ATOM 0 HG22 VAL B 177 23.804 -10.361 15.780 1.00 0.00 H new ATOM 0 HG23 VAL B 177 22.245 -9.505 15.834 1.00 0.00 H new ATOM 616 N ALA B 178 21.501 -10.901 20.267 1.00 0.00 N ATOM 617 CA ALA B 178 21.440 -11.165 21.742 1.00 0.00 C ATOM 618 C ALA B 178 21.078 -12.625 22.015 1.00 0.00 C ATOM 619 O ALA B 178 21.545 -13.204 23.004 1.00 0.00 O ATOM 620 CB ALA B 178 20.396 -10.256 22.395 1.00 0.00 C ATOM 0 H ALA B 178 20.780 -10.271 19.915 1.00 0.00 H new ATOM 0 HA ALA B 178 22.423 -10.958 22.165 1.00 0.00 H new ATOM 0 HB1 ALA B 178 20.359 -10.455 23.466 1.00 0.00 H new ATOM 0 HB2 ALA B 178 20.667 -9.213 22.229 1.00 0.00 H new ATOM 0 HB3 ALA B 178 19.418 -10.451 21.956 1.00 0.00 H new ATOM 626 N GLY B 179 20.259 -13.223 21.180 1.00 0.00 N ATOM 627 CA GLY B 179 19.851 -14.647 21.394 1.00 0.00 C ATOM 628 C GLY B 179 21.022 -15.560 21.079 1.00 0.00 C ATOM 629 O GLY B 179 21.330 -16.479 21.847 1.00 0.00 O ATOM 0 H GLY B 179 19.854 -12.781 20.355 1.00 0.00 H new ATOM 0 HA2 GLY B 179 19.529 -14.793 22.425 1.00 0.00 H new ATOM 0 HA3 GLY B 179 19.002 -14.893 20.756 1.00 0.00 H new ATOM 633 N VAL B 180 21.677 -15.319 19.968 1.00 0.00 N ATOM 634 CA VAL B 180 22.839 -16.159 19.572 1.00 0.00 C ATOM 635 C VAL B 180 24.021 -15.882 20.514 1.00 0.00 C ATOM 636 O VAL B 180 24.796 -16.795 20.821 1.00 0.00 O ATOM 637 CB VAL B 180 23.197 -15.878 18.101 1.00 0.00 C ATOM 638 CG1 VAL B 180 23.588 -14.415 17.907 1.00 0.00 C ATOM 639 CG2 VAL B 180 24.354 -16.767 17.672 1.00 0.00 C ATOM 0 H VAL B 180 21.450 -14.568 19.316 1.00 0.00 H new ATOM 0 HA VAL B 180 22.588 -17.216 19.659 1.00 0.00 H new ATOM 0 HB VAL B 180 22.320 -16.092 17.490 1.00 0.00 H new ATOM 0 HG11 VAL B 180 23.837 -14.241 16.860 1.00 0.00 H new ATOM 0 HG12 VAL B 180 22.754 -13.774 18.193 1.00 0.00 H new ATOM 0 HG13 VAL B 180 24.453 -14.184 18.529 1.00 0.00 H new ATOM 0 HG21 VAL B 180 24.602 -16.563 16.630 1.00 0.00 H new ATOM 0 HG22 VAL B 180 25.222 -16.562 18.299 1.00 0.00 H new ATOM 0 HG23 VAL B 180 24.068 -17.813 17.779 1.00 0.00 H new ATOM 649 N LEU B 181 24.168 -14.656 20.973 1.00 0.00 N ATOM 650 CA LEU B 181 25.292 -14.316 21.902 1.00 0.00 C ATOM 651 C LEU B 181 25.136 -15.136 23.177 1.00 0.00 C ATOM 652 O LEU B 181 26.110 -15.687 23.694 1.00 0.00 O ATOM 653 CB LEU B 181 25.271 -12.813 22.225 1.00 0.00 C ATOM 654 CG LEU B 181 26.578 -12.393 22.939 1.00 0.00 C ATOM 655 CD1 LEU B 181 26.861 -10.908 22.666 1.00 0.00 C ATOM 656 CD2 LEU B 181 26.446 -12.607 24.456 1.00 0.00 C ATOM 0 H LEU B 181 23.553 -13.876 20.741 1.00 0.00 H new ATOM 0 HA LEU B 181 26.247 -14.550 21.432 1.00 0.00 H new ATOM 0 HB2 LEU B 181 25.151 -12.239 21.306 1.00 0.00 H new ATOM 0 HB3 LEU B 181 24.414 -12.583 22.858 1.00 0.00 H new ATOM 0 HG LEU B 181 27.397 -13.003 22.558 1.00 0.00 H new ATOM 0 HD11 LEU B 181 27.782 -10.614 23.170 1.00 0.00 H new ATOM 0 HD12 LEU B 181 26.968 -10.749 21.593 1.00 0.00 H new ATOM 0 HD13 LEU B 181 26.034 -10.305 23.041 1.00 0.00 H new ATOM 0 HD21 LEU B 181 27.372 -12.308 24.948 1.00 0.00 H new ATOM 0 HD22 LEU B 181 25.622 -12.005 24.838 1.00 0.00 H new ATOM 0 HD23 LEU B 181 26.251 -13.660 24.659 1.00 0.00 H new ATOM 668 N THR B 182 23.928 -15.238 23.680 1.00 0.00 N ATOM 669 CA THR B 182 23.676 -16.035 24.924 1.00 0.00 C ATOM 670 C THR B 182 24.029 -17.499 24.657 1.00 0.00 C ATOM 671 O THR B 182 24.594 -18.175 25.520 1.00 0.00 O ATOM 672 CB THR B 182 22.192 -15.930 25.341 1.00 0.00 C ATOM 673 OG1 THR B 182 21.394 -15.604 24.209 1.00 0.00 O ATOM 674 CG2 THR B 182 22.010 -14.849 26.415 1.00 0.00 C ATOM 0 H THR B 182 23.099 -14.800 23.279 1.00 0.00 H new ATOM 0 HA THR B 182 24.293 -15.642 25.732 1.00 0.00 H new ATOM 0 HB THR B 182 21.880 -16.892 25.747 1.00 0.00 H new ATOM 0 HG1 THR B 182 21.522 -16.281 23.512 1.00 0.00 H new ATOM 0 HG21 THR B 182 20.959 -14.789 26.696 1.00 0.00 H new ATOM 0 HG22 THR B 182 22.606 -15.103 27.291 1.00 0.00 H new ATOM 0 HG23 THR B 182 22.335 -13.886 26.021 1.00 0.00 H new ATOM 682 N ALA B 183 23.687 -17.995 23.491 1.00 0.00 N ATOM 683 CA ALA B 183 23.970 -19.424 23.142 1.00 0.00 C ATOM 684 C ALA B 183 25.467 -19.717 23.242 1.00 0.00 C ATOM 685 O ALA B 183 25.858 -20.776 23.746 1.00 0.00 O ATOM 686 CB ALA B 183 23.490 -19.715 21.720 1.00 0.00 C ATOM 0 H ALA B 183 23.218 -17.463 22.758 1.00 0.00 H new ATOM 0 HA ALA B 183 23.438 -20.063 23.847 1.00 0.00 H new ATOM 0 HB1 ALA B 183 23.698 -20.756 21.471 1.00 0.00 H new ATOM 0 HB2 ALA B 183 22.417 -19.534 21.654 1.00 0.00 H new ATOM 0 HB3 ALA B 183 24.012 -19.063 21.019 1.00 0.00 H new ATOM 692 N SER B 184 26.305 -18.821 22.767 1.00 0.00 N ATOM 693 CA SER B 184 27.785 -19.054 22.820 1.00 0.00 C ATOM 694 C SER B 184 28.252 -19.050 24.273 1.00 0.00 C ATOM 695 O SER B 184 29.016 -19.926 24.694 1.00 0.00 O ATOM 696 CB SER B 184 28.518 -17.963 22.038 1.00 0.00 C ATOM 697 OG SER B 184 27.961 -16.696 22.356 1.00 0.00 O ATOM 0 H SER B 184 26.025 -17.936 22.344 1.00 0.00 H new ATOM 0 HA SER B 184 28.009 -20.021 22.370 1.00 0.00 H new ATOM 0 HB2 SER B 184 29.580 -17.977 22.283 1.00 0.00 H new ATOM 0 HB3 SER B 184 28.435 -18.150 20.967 1.00 0.00 H new ATOM 0 HG SER B 184 27.225 -16.813 22.993 1.00 0.00 H new ATOM 703 N LEU B 185 27.815 -18.075 25.032 1.00 0.00 N ATOM 704 CA LEU B 185 28.222 -17.960 26.467 1.00 0.00 C ATOM 705 C LEU B 185 27.711 -19.151 27.286 1.00 0.00 C ATOM 706 O LEU B 185 28.430 -19.659 28.154 1.00 0.00 O ATOM 707 CB LEU B 185 27.656 -16.643 27.050 1.00 0.00 C ATOM 708 CG LEU B 185 28.614 -15.441 26.848 1.00 0.00 C ATOM 709 CD1 LEU B 185 29.889 -15.631 27.678 1.00 0.00 C ATOM 710 CD2 LEU B 185 28.994 -15.253 25.366 1.00 0.00 C ATOM 0 H LEU B 185 27.183 -17.342 24.712 1.00 0.00 H new ATOM 0 HA LEU B 185 29.311 -17.957 26.521 1.00 0.00 H new ATOM 0 HB2 LEU B 185 26.699 -16.423 26.578 1.00 0.00 H new ATOM 0 HB3 LEU B 185 27.464 -16.775 28.115 1.00 0.00 H new ATOM 0 HG LEU B 185 28.085 -14.548 27.181 1.00 0.00 H new ATOM 0 HD11 LEU B 185 30.552 -14.779 27.526 1.00 0.00 H new ATOM 0 HD12 LEU B 185 29.628 -15.704 28.734 1.00 0.00 H new ATOM 0 HD13 LEU B 185 30.394 -16.545 27.365 1.00 0.00 H new ATOM 0 HD21 LEU B 185 29.666 -14.401 25.268 1.00 0.00 H new ATOM 0 HD22 LEU B 185 29.492 -16.151 25.001 1.00 0.00 H new ATOM 0 HD23 LEU B 185 28.093 -15.074 24.779 1.00 0.00 H new ATOM 722 N THR B 186 26.489 -19.588 27.054 1.00 0.00 N ATOM 723 CA THR B 186 25.918 -20.732 27.843 1.00 0.00 C ATOM 724 C THR B 186 26.572 -22.040 27.426 1.00 0.00 C ATOM 725 O THR B 186 26.984 -22.837 28.276 1.00 0.00 O ATOM 726 CB THR B 186 24.407 -20.837 27.596 1.00 0.00 C ATOM 727 OG1 THR B 186 24.156 -20.712 26.202 1.00 0.00 O ATOM 728 CG2 THR B 186 23.647 -19.733 28.350 1.00 0.00 C ATOM 0 H THR B 186 25.862 -19.199 26.350 1.00 0.00 H new ATOM 0 HA THR B 186 26.110 -20.548 28.900 1.00 0.00 H new ATOM 0 HB THR B 186 24.060 -21.804 27.960 1.00 0.00 H new ATOM 0 HG1 THR B 186 23.947 -19.778 25.990 1.00 0.00 H new ATOM 0 HG21 THR B 186 22.579 -19.830 28.158 1.00 0.00 H new ATOM 0 HG22 THR B 186 23.833 -19.828 29.420 1.00 0.00 H new ATOM 0 HG23 THR B 186 23.990 -18.757 28.008 1.00 0.00 H new ATOM 736 N ILE B 187 26.671 -22.275 26.140 1.00 0.00 N ATOM 737 CA ILE B 187 27.289 -23.538 25.638 1.00 0.00 C ATOM 738 C ILE B 187 28.761 -23.563 26.051 1.00 0.00 C ATOM 739 O ILE B 187 29.274 -24.599 26.485 1.00 0.00 O ATOM 740 CB ILE B 187 27.160 -23.621 24.102 1.00 0.00 C ATOM 741 CG1 ILE B 187 25.673 -23.630 23.710 1.00 0.00 C ATOM 742 CG2 ILE B 187 27.824 -24.908 23.577 1.00 0.00 C ATOM 743 CD1 ILE B 187 25.531 -23.287 22.224 1.00 0.00 C ATOM 0 H ILE B 187 26.347 -21.639 25.412 1.00 0.00 H new ATOM 0 HA ILE B 187 26.774 -24.397 26.068 1.00 0.00 H new ATOM 0 HB ILE B 187 27.657 -22.756 23.663 1.00 0.00 H new ATOM 0 HG12 ILE B 187 25.240 -24.610 23.910 1.00 0.00 H new ATOM 0 HG13 ILE B 187 25.123 -22.909 24.314 1.00 0.00 H new ATOM 0 HG21 ILE B 187 27.725 -24.952 22.492 1.00 0.00 H new ATOM 0 HG22 ILE B 187 28.881 -24.908 23.845 1.00 0.00 H new ATOM 0 HG23 ILE B 187 27.337 -25.776 24.022 1.00 0.00 H new ATOM 0 HD11 ILE B 187 24.477 -23.294 21.948 1.00 0.00 H new ATOM 0 HD12 ILE B 187 25.948 -22.298 22.037 1.00 0.00 H new ATOM 0 HD13 ILE B 187 26.067 -24.025 21.627 1.00 0.00 H new ATOM 755 N TRP B 188 29.442 -22.448 25.907 1.00 0.00 N ATOM 756 CA TRP B 188 30.889 -22.381 26.267 1.00 0.00 C ATOM 757 C TRP B 188 31.068 -22.764 27.737 1.00 0.00 C ATOM 758 O TRP B 188 31.977 -23.530 28.076 1.00 0.00 O ATOM 759 CB TRP B 188 31.422 -20.961 26.019 1.00 0.00 C ATOM 760 CG TRP B 188 32.907 -20.927 26.209 1.00 0.00 C ATOM 761 CD1 TRP B 188 33.812 -21.519 25.395 1.00 0.00 C ATOM 762 CD2 TRP B 188 33.670 -20.278 27.266 1.00 0.00 C ATOM 763 NE1 TRP B 188 35.082 -21.273 25.887 1.00 0.00 N ATOM 764 CE2 TRP B 188 35.047 -20.512 27.040 1.00 0.00 C ATOM 765 CE3 TRP B 188 33.304 -19.514 28.389 1.00 0.00 C ATOM 766 CZ2 TRP B 188 36.025 -20.007 27.897 1.00 0.00 C ATOM 767 CZ3 TRP B 188 34.285 -19.004 29.254 1.00 0.00 C ATOM 768 CH2 TRP B 188 35.644 -19.250 29.009 1.00 0.00 C ATOM 0 H TRP B 188 29.049 -21.576 25.552 1.00 0.00 H new ATOM 0 HA TRP B 188 31.451 -23.079 25.647 1.00 0.00 H new ATOM 0 HB2 TRP B 188 31.170 -20.641 25.008 1.00 0.00 H new ATOM 0 HB3 TRP B 188 30.944 -20.260 26.704 1.00 0.00 H new ATOM 0 HD1 TRP B 188 33.581 -22.089 24.508 1.00 0.00 H new ATOM 0 HE1 TRP B 188 35.940 -21.612 25.451 1.00 0.00 H new ATOM 0 HE3 TRP B 188 32.261 -19.318 28.587 1.00 0.00 H new ATOM 0 HZ2 TRP B 188 37.070 -20.200 27.703 1.00 0.00 H new ATOM 0 HZ3 TRP B 188 33.992 -18.419 30.113 1.00 0.00 H new ATOM 0 HH2 TRP B 188 36.395 -18.855 29.678 1.00 0.00 H new ATOM 779 N LYS B 189 30.225 -22.249 28.606 1.00 0.00 N ATOM 780 CA LYS B 189 30.336 -22.571 30.065 1.00 0.00 C ATOM 781 C LYS B 189 30.081 -24.061 30.282 1.00 0.00 C ATOM 782 O LYS B 189 30.717 -24.684 31.141 1.00 0.00 O ATOM 783 CB LYS B 189 29.325 -21.746 30.871 1.00 0.00 C ATOM 784 CG LYS B 189 29.713 -21.770 32.352 1.00 0.00 C ATOM 785 CD LYS B 189 28.823 -20.801 33.133 1.00 0.00 C ATOM 786 CE LYS B 189 29.302 -20.731 34.585 1.00 0.00 C ATOM 787 NZ LYS B 189 28.478 -19.742 35.338 1.00 0.00 N ATOM 0 H LYS B 189 29.462 -21.617 28.364 1.00 0.00 H new ATOM 0 HA LYS B 189 31.341 -22.322 30.407 1.00 0.00 H new ATOM 0 HB2 LYS B 189 29.304 -20.719 30.506 1.00 0.00 H new ATOM 0 HB3 LYS B 189 28.322 -22.151 30.740 1.00 0.00 H new ATOM 0 HG2 LYS B 189 29.606 -22.779 32.750 1.00 0.00 H new ATOM 0 HG3 LYS B 189 30.760 -21.491 32.468 1.00 0.00 H new ATOM 0 HD2 LYS B 189 28.858 -19.811 32.679 1.00 0.00 H new ATOM 0 HD3 LYS B 189 27.785 -21.132 33.096 1.00 0.00 H new ATOM 0 HE2 LYS B 189 29.225 -21.713 35.051 1.00 0.00 H new ATOM 0 HE3 LYS B 189 30.353 -20.444 34.618 1.00 0.00 H new ATOM 0 HZ1 LYS B 189 28.805 -19.696 36.324 1.00 0.00 H new ATOM 0 HZ2 LYS B 189 28.573 -18.804 34.898 1.00 0.00 H new ATOM 0 HZ3 LYS B 189 27.480 -20.034 35.318 1.00 0.00 H new ATOM 801 N LYS B 190 29.170 -24.640 29.529 1.00 0.00 N ATOM 802 CA LYS B 190 28.861 -26.099 29.683 1.00 0.00 C ATOM 803 C LYS B 190 29.962 -26.938 29.022 1.00 0.00 C ATOM 804 O LYS B 190 30.200 -28.081 29.428 1.00 0.00 O ATOM 805 CB LYS B 190 27.499 -26.417 29.046 1.00 0.00 C ATOM 806 CG LYS B 190 27.098 -27.870 29.358 1.00 0.00 C ATOM 807 CD LYS B 190 26.602 -27.990 30.816 1.00 0.00 C ATOM 808 CE LYS B 190 26.904 -29.390 31.364 1.00 0.00 C ATOM 809 NZ LYS B 190 26.653 -29.417 32.834 1.00 0.00 N ATOM 0 H LYS B 190 28.626 -24.161 28.812 1.00 0.00 H new ATOM 0 HA LYS B 190 28.819 -26.344 30.744 1.00 0.00 H new ATOM 0 HB2 LYS B 190 26.741 -25.732 29.427 1.00 0.00 H new ATOM 0 HB3 LYS B 190 27.549 -26.269 27.967 1.00 0.00 H new ATOM 0 HG2 LYS B 190 26.314 -28.193 28.673 1.00 0.00 H new ATOM 0 HG3 LYS B 190 27.950 -28.531 29.201 1.00 0.00 H new ATOM 0 HD2 LYS B 190 27.087 -27.236 31.436 1.00 0.00 H new ATOM 0 HD3 LYS B 190 25.530 -27.797 30.860 1.00 0.00 H new ATOM 0 HE2 LYS B 190 26.278 -30.130 30.864 1.00 0.00 H new ATOM 0 HE3 LYS B 190 27.940 -29.657 31.157 1.00 0.00 H new ATOM 0 HZ1 LYS B 190 26.858 -30.367 33.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 190 27.268 -28.722 33.304 1.00 0.00 H new ATOM 0 HZ3 LYS B 190 25.658 -29.181 33.021 1.00 0.00 H new ATOM 823 N MET B 191 30.635 -26.400 28.026 1.00 0.00 N ATOM 824 CA MET B 191 31.725 -27.160 27.339 1.00 0.00 C ATOM 825 C MET B 191 33.019 -27.022 28.151 1.00 0.00 C ATOM 826 O MET B 191 34.074 -26.640 27.624 1.00 0.00 O ATOM 827 CB MET B 191 31.914 -26.632 25.910 1.00 0.00 C ATOM 828 CG MET B 191 30.720 -27.049 25.051 1.00 0.00 C ATOM 829 SD MET B 191 30.969 -26.475 23.350 1.00 0.00 S ATOM 830 CE MET B 191 29.608 -27.380 22.563 1.00 0.00 C ATOM 0 H MET B 191 30.472 -25.462 27.661 1.00 0.00 H new ATOM 0 HA MET B 191 31.458 -28.215 27.274 1.00 0.00 H new ATOM 0 HB2 MET B 191 32.006 -25.546 25.921 1.00 0.00 H new ATOM 0 HB3 MET B 191 32.837 -27.026 25.484 1.00 0.00 H new ATOM 0 HG2 MET B 191 30.608 -28.133 25.067 1.00 0.00 H new ATOM 0 HG3 MET B 191 29.801 -26.627 25.458 1.00 0.00 H new ATOM 0 HE1 MET B 191 29.196 -26.782 21.750 1.00 0.00 H new ATOM 0 HE2 MET B 191 29.980 -28.325 22.167 1.00 0.00 H new ATOM 0 HE3 MET B 191 28.829 -27.577 23.299 1.00 0.00 H new