USER MOD reduce.3.24.130724 H: found=0, std=0, add=238, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 239 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 699 SER OG : rot 78:sc= 1.18 USER MOD Single : A 701 MET CE :methyl 159:sc= -0.0661 (180deg=-0.593) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 131 N LEU A 694 16.822 5.815 -0.613 1.00 1.00 N ATOM 132 CA LEU A 694 17.526 5.244 0.531 1.00 1.00 C ATOM 133 C LEU A 694 17.985 3.815 0.235 1.00 1.00 C ATOM 134 O LEU A 694 19.067 3.405 0.653 1.00 1.00 O ATOM 135 CB LEU A 694 16.601 5.245 1.755 1.00 1.00 C ATOM 136 CG LEU A 694 17.340 4.686 2.976 1.00 1.00 C ATOM 137 CD1 LEU A 694 18.510 5.600 3.350 1.00 1.00 C ATOM 138 CD2 LEU A 694 16.371 4.599 4.154 1.00 1.00 C ATOM 0 HA LEU A 694 18.407 5.853 0.732 1.00 1.00 H new ATOM 0 HB2 LEU A 694 16.259 6.259 1.961 1.00 1.00 H new ATOM 0 HB3 LEU A 694 15.714 4.645 1.551 1.00 1.00 H new ATOM 0 HG LEU A 694 17.726 3.695 2.736 1.00 1.00 H new ATOM 0 HD11 LEU A 694 19.027 5.192 4.219 1.00 1.00 H new ATOM 0 HD12 LEU A 694 19.204 5.664 2.512 1.00 1.00 H new ATOM 0 HD13 LEU A 694 18.133 6.595 3.586 1.00 1.00 H new ATOM 0 HD21 LEU A 694 16.892 4.202 5.025 1.00 1.00 H new ATOM 0 HD22 LEU A 694 15.987 5.593 4.383 1.00 1.00 H new ATOM 0 HD23 LEU A 694 15.542 3.940 3.895 1.00 1.00 H new ATOM 150 N VAL A 695 17.144 3.054 -0.456 1.00 1.00 N ATOM 151 CA VAL A 695 17.450 1.660 -0.774 1.00 1.00 C ATOM 152 C VAL A 695 18.695 1.527 -1.649 1.00 1.00 C ATOM 153 O VAL A 695 19.519 0.638 -1.432 1.00 1.00 O ATOM 154 CB VAL A 695 16.257 1.008 -1.480 1.00 1.00 C ATOM 155 CG1 VAL A 695 16.611 -0.425 -1.881 1.00 1.00 C ATOM 156 CG2 VAL A 695 15.060 0.983 -0.525 1.00 1.00 C ATOM 0 H VAL A 695 16.243 3.377 -0.808 1.00 1.00 H new ATOM 0 HA VAL A 695 17.650 1.151 0.169 1.00 1.00 H new ATOM 0 HB VAL A 695 16.009 1.581 -2.373 1.00 1.00 H new ATOM 0 HG11 VAL A 695 15.759 -0.884 -2.383 1.00 1.00 H new ATOM 0 HG12 VAL A 695 17.466 -0.413 -2.557 1.00 1.00 H new ATOM 0 HG13 VAL A 695 16.861 -1.001 -0.990 1.00 1.00 H new ATOM 0 HG21 VAL A 695 14.208 0.520 -1.022 1.00 1.00 H new ATOM 0 HG22 VAL A 695 15.317 0.409 0.365 1.00 1.00 H new ATOM 0 HG23 VAL A 695 14.803 2.002 -0.238 1.00 1.00 H new ATOM 166 N VAL A 696 18.832 2.408 -2.634 1.00 1.00 N ATOM 167 CA VAL A 696 19.988 2.352 -3.523 1.00 1.00 C ATOM 168 C VAL A 696 21.275 2.548 -2.733 1.00 1.00 C ATOM 169 O VAL A 696 22.237 1.794 -2.883 1.00 1.00 O ATOM 170 CB VAL A 696 19.881 3.442 -4.585 1.00 1.00 C ATOM 171 CG1 VAL A 696 21.148 3.440 -5.446 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.653 3.175 -5.458 1.00 1.00 C ATOM 0 H VAL A 696 18.170 3.157 -2.836 1.00 1.00 H new ATOM 0 HA VAL A 696 20.007 1.373 -4.002 1.00 1.00 H new ATOM 0 HB VAL A 696 19.777 4.416 -4.107 1.00 1.00 H new ATOM 0 HG11 VAL A 696 21.073 4.218 -6.205 1.00 1.00 H new ATOM 0 HG12 VAL A 696 22.017 3.630 -4.816 1.00 1.00 H new ATOM 0 HG13 VAL A 696 21.257 2.470 -5.931 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.572 3.951 -6.219 1.00 1.00 H new ATOM 0 HG22 VAL A 696 18.754 2.203 -5.941 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.757 3.180 -4.837 1.00 1.00 H new ATOM 182 N LEU A 697 21.278 3.569 -1.888 1.00 1.00 N ATOM 183 CA LEU A 697 22.454 3.849 -1.079 1.00 1.00 C ATOM 184 C LEU A 697 22.737 2.695 -0.123 1.00 1.00 C ATOM 185 O LEU A 697 23.892 2.327 0.089 1.00 1.00 O ATOM 186 CB LEU A 697 22.261 5.133 -0.272 1.00 1.00 C ATOM 187 CG LEU A 697 22.698 6.349 -1.090 1.00 1.00 C ATOM 188 CD1 LEU A 697 21.846 6.464 -2.355 1.00 1.00 C ATOM 189 CD2 LEU A 697 22.518 7.601 -0.228 1.00 1.00 C ATOM 0 H LEU A 697 20.495 4.207 -1.746 1.00 1.00 H new ATOM 0 HA LEU A 697 23.300 3.972 -1.755 1.00 1.00 H new ATOM 0 HB2 LEU A 697 21.214 5.236 0.014 1.00 1.00 H new ATOM 0 HB3 LEU A 697 22.839 5.081 0.650 1.00 1.00 H new ATOM 0 HG LEU A 697 23.742 6.242 -1.385 1.00 1.00 H new ATOM 0 HD11 LEU A 697 22.165 7.333 -2.931 1.00 1.00 H new ATOM 0 HD12 LEU A 697 21.967 5.564 -2.958 1.00 1.00 H new ATOM 0 HD13 LEU A 697 20.798 6.577 -2.079 1.00 1.00 H new ATOM 0 HD21 LEU A 697 22.825 8.480 -0.795 1.00 1.00 H new ATOM 0 HD22 LEU A 697 21.470 7.700 0.056 1.00 1.00 H new ATOM 0 HD23 LEU A 697 23.131 7.516 0.670 1.00 1.00 H new ATOM 201 N LEU A 698 21.683 2.126 0.460 1.00 1.00 N ATOM 202 CA LEU A 698 21.854 1.018 1.394 1.00 1.00 C ATOM 203 C LEU A 698 22.484 -0.180 0.691 1.00 1.00 C ATOM 204 O LEU A 698 23.372 -0.840 1.231 1.00 1.00 O ATOM 205 CB LEU A 698 20.503 0.607 2.001 1.00 1.00 C ATOM 206 CG LEU A 698 20.097 1.598 3.106 1.00 1.00 C ATOM 207 CD1 LEU A 698 18.684 1.263 3.590 1.00 1.00 C ATOM 208 CD2 LEU A 698 21.068 1.508 4.289 1.00 1.00 C ATOM 0 H LEU A 698 20.716 2.410 0.305 1.00 1.00 H new ATOM 0 HA LEU A 698 22.515 1.351 2.194 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.739 0.583 1.224 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.571 -0.400 2.412 1.00 1.00 H new ATOM 0 HG LEU A 698 20.125 2.609 2.700 1.00 1.00 H new ATOM 0 HD11 LEU A 698 18.392 1.963 4.373 1.00 1.00 H new ATOM 0 HD12 LEU A 698 17.986 1.340 2.756 1.00 1.00 H new ATOM 0 HD13 LEU A 698 18.666 0.248 3.986 1.00 1.00 H new ATOM 0 HD21 LEU A 698 20.767 2.215 5.062 1.00 1.00 H new ATOM 0 HD22 LEU A 698 21.052 0.497 4.696 1.00 1.00 H new ATOM 0 HD23 LEU A 698 22.076 1.748 3.951 1.00 1.00 H new ATOM 220 N SER A 699 22.025 -0.433 -0.532 1.00 1.00 N ATOM 221 CA SER A 699 22.533 -1.531 -1.347 1.00 1.00 C ATOM 222 C SER A 699 23.993 -1.311 -1.706 1.00 1.00 C ATOM 223 O SER A 699 24.796 -2.243 -1.685 1.00 1.00 O ATOM 224 CB SER A 699 21.719 -1.621 -2.632 1.00 1.00 C ATOM 225 OG SER A 699 20.355 -1.849 -2.309 1.00 1.00 O ATOM 0 H SER A 699 21.293 0.115 -0.984 1.00 1.00 H new ATOM 0 HA SER A 699 22.447 -2.454 -0.774 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.820 -0.699 -3.205 1.00 1.00 H new ATOM 0 HB3 SER A 699 22.096 -2.429 -3.259 1.00 1.00 H new ATOM 0 HG SER A 699 19.941 -1.007 -2.025 1.00 1.00 H new ATOM 231 N VAL A 700 24.328 -0.076 -2.054 1.00 1.00 N ATOM 232 CA VAL A 700 25.696 0.236 -2.435 1.00 1.00 C ATOM 233 C VAL A 700 26.633 0.035 -1.258 1.00 1.00 C ATOM 234 O VAL A 700 27.713 -0.534 -1.407 1.00 1.00 O ATOM 235 CB VAL A 700 25.799 1.676 -2.933 1.00 1.00 C ATOM 236 CG1 VAL A 700 27.266 2.019 -3.202 1.00 1.00 C ATOM 237 CG2 VAL A 700 25.003 1.818 -4.228 1.00 1.00 C ATOM 0 H VAL A 700 23.683 0.713 -2.080 1.00 1.00 H new ATOM 0 HA VAL A 700 25.986 -0.439 -3.240 1.00 1.00 H new ATOM 0 HB VAL A 700 25.399 2.353 -2.178 1.00 1.00 H new ATOM 0 HG11 VAL A 700 27.340 3.047 -3.558 1.00 1.00 H new ATOM 0 HG12 VAL A 700 27.840 1.911 -2.281 1.00 1.00 H new ATOM 0 HG13 VAL A 700 27.665 1.344 -3.959 1.00 1.00 H new ATOM 0 HG21 VAL A 700 25.073 2.845 -4.588 1.00 1.00 H new ATOM 0 HG22 VAL A 700 25.408 1.141 -4.980 1.00 1.00 H new ATOM 0 HG23 VAL A 700 23.958 1.570 -4.042 1.00 1.00 H new ATOM 247 N MET A 701 26.230 0.531 -0.091 1.00 1.00 N ATOM 248 CA MET A 701 27.072 0.424 1.091 1.00 1.00 C ATOM 249 C MET A 701 27.323 -1.036 1.453 1.00 1.00 C ATOM 250 O MET A 701 28.445 -1.406 1.800 1.00 1.00 O ATOM 251 CB MET A 701 26.418 1.143 2.274 1.00 1.00 C ATOM 252 CG MET A 701 26.547 2.658 2.089 1.00 1.00 C ATOM 253 SD MET A 701 25.611 3.506 3.388 1.00 1.00 S ATOM 254 CE MET A 701 26.688 3.097 4.785 1.00 1.00 C ATOM 0 H MET A 701 25.339 1.004 0.058 1.00 1.00 H new ATOM 0 HA MET A 701 28.029 0.895 0.866 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.367 0.863 2.347 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.894 0.838 3.206 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.596 2.952 2.130 1.00 1.00 H new ATOM 0 HG3 MET A 701 26.173 2.949 1.107 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.518 3.806 5.595 1.00 1.00 H new ATOM 0 HE2 MET A 701 26.466 2.088 5.133 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.730 3.151 4.469 1.00 1.00 H new ATOM 264 N GLY A 702 26.289 -1.871 1.361 1.00 1.00 N ATOM 265 CA GLY A 702 26.439 -3.286 1.681 1.00 1.00 C ATOM 266 C GLY A 702 27.319 -3.991 0.659 1.00 1.00 C ATOM 267 O GLY A 702 28.210 -4.755 1.016 1.00 1.00 O ATOM 0 H GLY A 702 25.351 -1.595 1.071 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.874 -3.393 2.675 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.458 -3.761 1.710 1.00 1.00 H new ATOM 271 N ALA A 703 27.054 -3.739 -0.615 1.00 1.00 N ATOM 272 CA ALA A 703 27.815 -4.373 -1.679 1.00 1.00 C ATOM 273 C ALA A 703 29.311 -4.135 -1.516 1.00 1.00 C ATOM 274 O ALA A 703 30.112 -5.069 -1.564 1.00 1.00 O ATOM 275 CB ALA A 703 27.360 -3.824 -3.034 1.00 1.00 C ATOM 0 H ALA A 703 26.322 -3.104 -0.934 1.00 1.00 H new ATOM 0 HA ALA A 703 27.633 -5.446 -1.627 1.00 1.00 H new ATOM 0 HB1 ALA A 703 27.932 -4.301 -3.830 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.299 -4.033 -3.174 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.524 -2.747 -3.064 1.00 1.00 H new ATOM 281 N ILE A 704 29.675 -2.872 -1.319 1.00 1.00 N ATOM 282 CA ILE A 704 31.076 -2.506 -1.146 1.00 1.00 C ATOM 283 C ILE A 704 31.646 -3.147 0.125 1.00 1.00 C ATOM 284 O ILE A 704 32.766 -3.659 0.121 1.00 1.00 O ATOM 285 CB ILE A 704 31.218 -0.976 -1.064 1.00 1.00 C ATOM 286 CG1 ILE A 704 30.840 -0.317 -2.409 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.656 -0.603 -0.699 1.00 1.00 C ATOM 288 CD1 ILE A 704 31.702 -0.854 -3.560 1.00 1.00 C ATOM 0 H ILE A 704 29.023 -2.089 -1.275 1.00 1.00 H new ATOM 0 HA ILE A 704 31.636 -2.873 -2.006 1.00 1.00 H new ATOM 0 HB ILE A 704 30.539 -0.612 -0.293 1.00 1.00 H new ATOM 0 HG12 ILE A 704 29.788 -0.503 -2.624 1.00 1.00 H new ATOM 0 HG13 ILE A 704 30.964 0.763 -2.334 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.748 0.482 -0.643 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.911 -1.039 0.267 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.336 -0.986 -1.460 1.00 1.00 H new ATOM 0 HD11 ILE A 704 31.409 -0.369 -4.491 1.00 1.00 H new ATOM 0 HD12 ILE A 704 32.752 -0.645 -3.356 1.00 1.00 H new ATOM 0 HD13 ILE A 704 31.558 -1.931 -3.651 1.00 1.00 H new ATOM 300 N LEU A 705 30.874 -3.105 1.213 1.00 1.00 N ATOM 301 CA LEU A 705 31.322 -3.674 2.487 1.00 1.00 C ATOM 302 C LEU A 705 31.539 -5.180 2.372 1.00 1.00 C ATOM 303 O LEU A 705 32.519 -5.712 2.892 1.00 1.00 O ATOM 304 CB LEU A 705 30.280 -3.386 3.585 1.00 1.00 C ATOM 305 CG LEU A 705 30.761 -3.912 4.952 1.00 1.00 C ATOM 306 CD1 LEU A 705 32.094 -3.253 5.331 1.00 1.00 C ATOM 307 CD2 LEU A 705 29.718 -3.574 6.024 1.00 1.00 C ATOM 0 H LEU A 705 29.944 -2.687 1.239 1.00 1.00 H new ATOM 0 HA LEU A 705 32.272 -3.208 2.750 1.00 1.00 H new ATOM 0 HB2 LEU A 705 30.099 -2.313 3.647 1.00 1.00 H new ATOM 0 HB3 LEU A 705 29.331 -3.855 3.324 1.00 1.00 H new ATOM 0 HG LEU A 705 30.896 -4.992 4.887 1.00 1.00 H new ATOM 0 HD11 LEU A 705 32.425 -3.631 6.298 1.00 1.00 H new ATOM 0 HD12 LEU A 705 32.843 -3.486 4.574 1.00 1.00 H new ATOM 0 HD13 LEU A 705 31.962 -2.173 5.390 1.00 1.00 H new ATOM 0 HD21 LEU A 705 30.057 -3.945 6.991 1.00 1.00 H new ATOM 0 HD22 LEU A 705 29.587 -2.493 6.076 1.00 1.00 H new ATOM 0 HD23 LEU A 705 28.768 -4.043 5.768 1.00 1.00 H new ATOM 319 N LEU A 706 30.622 -5.870 1.705 1.00 1.00 N ATOM 320 CA LEU A 706 30.729 -7.315 1.557 1.00 1.00 C ATOM 321 C LEU A 706 31.968 -7.721 0.757 1.00 1.00 C ATOM 322 O LEU A 706 32.670 -8.668 1.110 1.00 1.00 O ATOM 323 CB LEU A 706 29.458 -7.862 0.886 1.00 1.00 C ATOM 324 CG LEU A 706 28.268 -7.736 1.855 1.00 1.00 C ATOM 325 CD1 LEU A 706 26.962 -8.070 1.126 1.00 1.00 C ATOM 326 CD2 LEU A 706 28.440 -8.698 3.039 1.00 1.00 C ATOM 0 H LEU A 706 29.802 -5.456 1.261 1.00 1.00 H new ATOM 0 HA LEU A 706 30.833 -7.746 2.553 1.00 1.00 H new ATOM 0 HB2 LEU A 706 29.253 -7.311 -0.032 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.603 -8.905 0.605 1.00 1.00 H new ATOM 0 HG LEU A 706 28.232 -6.711 2.224 1.00 1.00 H new ATOM 0 HD11 LEU A 706 26.125 -7.979 1.818 1.00 1.00 H new ATOM 0 HD12 LEU A 706 26.822 -7.379 0.295 1.00 1.00 H new ATOM 0 HD13 LEU A 706 27.008 -9.090 0.746 1.00 1.00 H new ATOM 0 HD21 LEU A 706 27.591 -8.598 3.716 1.00 1.00 H new ATOM 0 HD22 LEU A 706 28.491 -9.723 2.671 1.00 1.00 H new ATOM 0 HD23 LEU A 706 29.360 -8.458 3.573 1.00 1.00 H new ATOM 338 N ILE A 707 32.238 -6.975 -0.309 1.00 1.00 N ATOM 339 CA ILE A 707 33.405 -7.244 -1.140 1.00 1.00 C ATOM 340 C ILE A 707 34.683 -7.074 -0.318 1.00 1.00 C ATOM 341 O ILE A 707 35.611 -7.877 -0.403 1.00 1.00 O ATOM 342 CB ILE A 707 33.422 -6.283 -2.330 1.00 1.00 C ATOM 343 CG1 ILE A 707 32.269 -6.628 -3.278 1.00 1.00 C ATOM 344 CG2 ILE A 707 34.752 -6.406 -3.073 1.00 1.00 C ATOM 345 CD1 ILE A 707 32.130 -5.532 -4.338 1.00 1.00 C ATOM 0 H ILE A 707 31.670 -6.186 -0.616 1.00 1.00 H new ATOM 0 HA ILE A 707 33.354 -8.269 -1.506 1.00 1.00 H new ATOM 0 HB ILE A 707 33.305 -5.260 -1.972 1.00 1.00 H new ATOM 0 HG12 ILE A 707 32.454 -7.590 -3.757 1.00 1.00 H new ATOM 0 HG13 ILE A 707 31.340 -6.725 -2.717 1.00 1.00 H new ATOM 0 HG21 ILE A 707 34.760 -5.720 -3.920 1.00 1.00 H new ATOM 0 HG22 ILE A 707 35.571 -6.158 -2.397 1.00 1.00 H new ATOM 0 HG23 ILE A 707 34.875 -7.428 -3.432 1.00 1.00 H new ATOM 0 HD11 ILE A 707 31.309 -5.779 -5.011 1.00 1.00 H new ATOM 0 HD12 ILE A 707 31.925 -4.579 -3.851 1.00 1.00 H new ATOM 0 HD13 ILE A 707 33.056 -5.457 -4.907 1.00 1.00 H new ATOM 357 N GLY A 708 34.707 -6.017 0.483 1.00 1.00 N ATOM 358 CA GLY A 708 35.867 -5.743 1.326 1.00 1.00 C ATOM 359 C GLY A 708 36.113 -6.896 2.302 1.00 1.00 C ATOM 360 O GLY A 708 37.257 -7.290 2.540 1.00 1.00 O ATOM 0 H GLY A 708 33.947 -5.342 0.568 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.748 -5.594 0.702 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.709 -4.818 1.881 1.00 1.00 H new ATOM 364 N LEU A 709 35.032 -7.436 2.861 1.00 1.00 N ATOM 365 CA LEU A 709 35.140 -8.548 3.807 1.00 1.00 C ATOM 366 C LEU A 709 35.735 -9.772 3.123 1.00 1.00 C ATOM 367 O LEU A 709 36.619 -10.426 3.666 1.00 1.00 O ATOM 368 CB LEU A 709 33.751 -8.892 4.360 1.00 1.00 C ATOM 369 CG LEU A 709 33.844 -10.016 5.402 1.00 1.00 C ATOM 370 CD1 LEU A 709 34.702 -9.568 6.587 1.00 1.00 C ATOM 371 CD2 LEU A 709 32.434 -10.344 5.896 1.00 1.00 C ATOM 0 H LEU A 709 34.078 -7.126 2.678 1.00 1.00 H new ATOM 0 HA LEU A 709 35.795 -8.249 4.625 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.305 -8.006 4.812 1.00 1.00 H new ATOM 0 HB3 LEU A 709 33.095 -9.198 3.545 1.00 1.00 H new ATOM 0 HG LEU A 709 34.301 -10.895 4.948 1.00 1.00 H new ATOM 0 HD11 LEU A 709 34.760 -10.373 7.319 1.00 1.00 H new ATOM 0 HD12 LEU A 709 35.705 -9.322 6.238 1.00 1.00 H new ATOM 0 HD13 LEU A 709 34.253 -8.689 7.050 1.00 1.00 H new ATOM 0 HD21 LEU A 709 32.485 -11.141 6.637 1.00 1.00 H new ATOM 0 HD22 LEU A 709 31.991 -9.456 6.348 1.00 1.00 H new ATOM 0 HD23 LEU A 709 31.820 -10.668 5.056 1.00 1.00 H new ATOM 383 N ALA A 710 35.253 -10.076 1.930 1.00 1.00 N ATOM 384 CA ALA A 710 35.756 -11.226 1.192 1.00 1.00 C ATOM 385 C ALA A 710 37.233 -11.033 0.886 1.00 1.00 C ATOM 386 O ALA A 710 38.018 -11.983 0.913 1.00 1.00 O ATOM 387 CB ALA A 710 34.977 -11.382 -0.110 1.00 1.00 C ATOM 0 H ALA A 710 34.521 -9.549 1.454 1.00 1.00 H new ATOM 0 HA ALA A 710 35.629 -12.124 1.796 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.356 -12.243 -0.660 1.00 1.00 H new ATOM 0 HB2 ALA A 710 33.921 -11.530 0.114 1.00 1.00 H new ATOM 0 HB3 ALA A 710 35.097 -10.484 -0.716 1.00 1.00 H new ATOM 393 N ALA A 711 37.598 -9.795 0.591 1.00 1.00 N ATOM 394 CA ALA A 711 38.986 -9.499 0.278 1.00 1.00 C ATOM 395 C ALA A 711 39.885 -9.789 1.474 1.00 1.00 C ATOM 396 O ALA A 711 40.968 -10.357 1.324 1.00 1.00 O ATOM 397 CB ALA A 711 39.131 -8.029 -0.115 1.00 1.00 C ATOM 0 H ALA A 711 36.967 -8.994 0.562 1.00 1.00 H new ATOM 0 HA ALA A 711 39.289 -10.135 -0.554 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.174 -7.816 -0.348 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.515 -7.824 -0.990 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.808 -7.398 0.713 1.00 1.00 H new ATOM 403 N LEU A 712 39.446 -9.373 2.656 1.00 1.00 N ATOM 404 CA LEU A 712 40.234 -9.562 3.869 1.00 1.00 C ATOM 405 C LEU A 712 40.441 -11.043 4.214 1.00 1.00 C ATOM 406 O LEU A 712 41.529 -11.438 4.634 1.00 1.00 O ATOM 407 CB LEU A 712 39.560 -8.848 5.050 1.00 1.00 C ATOM 408 CG LEU A 712 40.405 -9.004 6.328 1.00 1.00 C ATOM 409 CD1 LEU A 712 41.825 -8.474 6.101 1.00 1.00 C ATOM 410 CD2 LEU A 712 39.758 -8.210 7.464 1.00 1.00 C ATOM 0 H LEU A 712 38.552 -8.904 2.801 1.00 1.00 H new ATOM 0 HA LEU A 712 41.217 -9.130 3.680 1.00 1.00 H new ATOM 0 HB2 LEU A 712 39.432 -7.791 4.818 1.00 1.00 H new ATOM 0 HB3 LEU A 712 38.565 -9.261 5.212 1.00 1.00 H new ATOM 0 HG LEU A 712 40.454 -10.062 6.586 1.00 1.00 H new ATOM 0 HD11 LEU A 712 42.408 -8.592 7.014 1.00 1.00 H new ATOM 0 HD12 LEU A 712 42.298 -9.034 5.294 1.00 1.00 H new ATOM 0 HD13 LEU A 712 41.781 -7.418 5.833 1.00 1.00 H new ATOM 0 HD21 LEU A 712 40.354 -8.319 8.370 1.00 1.00 H new ATOM 0 HD22 LEU A 712 39.706 -7.157 7.188 1.00 1.00 H new ATOM 0 HD23 LEU A 712 38.752 -8.588 7.645 1.00 1.00 H new ATOM 422 N LEU A 713 39.388 -11.848 4.071 1.00 1.00 N ATOM 423 CA LEU A 713 39.474 -13.271 4.416 1.00 1.00 C ATOM 424 C LEU A 713 40.493 -14.032 3.570 1.00 1.00 C ATOM 425 O LEU A 713 41.271 -14.827 4.093 1.00 1.00 O ATOM 426 CB LEU A 713 38.102 -13.942 4.279 1.00 1.00 C ATOM 427 CG LEU A 713 37.344 -13.879 5.614 1.00 1.00 C ATOM 428 CD1 LEU A 713 37.315 -12.452 6.150 1.00 1.00 C ATOM 429 CD2 LEU A 713 35.907 -14.351 5.406 1.00 1.00 C ATOM 0 H LEU A 713 38.477 -11.547 3.724 1.00 1.00 H new ATOM 0 HA LEU A 713 39.811 -13.312 5.452 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.523 -13.446 3.500 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.226 -14.980 3.972 1.00 1.00 H new ATOM 0 HG LEU A 713 37.856 -14.521 6.331 1.00 1.00 H new ATOM 0 HD11 LEU A 713 36.774 -12.430 7.096 1.00 1.00 H new ATOM 0 HD12 LEU A 713 38.335 -12.102 6.307 1.00 1.00 H new ATOM 0 HD13 LEU A 713 36.816 -11.803 5.431 1.00 1.00 H new ATOM 0 HD21 LEU A 713 35.369 -14.307 6.353 1.00 1.00 H new ATOM 0 HD22 LEU A 713 35.414 -13.707 4.678 1.00 1.00 H new ATOM 0 HD23 LEU A 713 35.911 -15.377 5.039 1.00 1.00 H new ATOM 441 N ILE A 714 40.511 -13.767 2.270 1.00 1.00 N ATOM 442 CA ILE A 714 41.469 -14.424 1.389 1.00 1.00 C ATOM 443 C ILE A 714 42.882 -14.005 1.812 1.00 1.00 C ATOM 444 O ILE A 714 43.794 -14.830 1.878 1.00 1.00 O ATOM 445 CB ILE A 714 41.225 -14.024 -0.073 1.00 1.00 C ATOM 446 CG1 ILE A 714 39.852 -14.529 -0.563 1.00 1.00 C ATOM 447 CG2 ILE A 714 42.321 -14.626 -0.952 1.00 1.00 C ATOM 448 CD1 ILE A 714 39.729 -16.054 -0.417 1.00 1.00 C ATOM 0 H ILE A 714 39.882 -13.111 1.807 1.00 1.00 H new ATOM 0 HA ILE A 714 41.353 -15.505 1.468 1.00 1.00 H new ATOM 0 HB ILE A 714 41.240 -12.936 -0.139 1.00 1.00 H new ATOM 0 HG12 ILE A 714 39.060 -14.043 0.006 1.00 1.00 H new ATOM 0 HG13 ILE A 714 39.712 -14.250 -1.607 1.00 1.00 H new ATOM 0 HG21 ILE A 714 42.150 -14.344 -1.991 1.00 1.00 H new ATOM 0 HG22 ILE A 714 43.293 -14.252 -0.629 1.00 1.00 H new ATOM 0 HG23 ILE A 714 42.303 -15.712 -0.864 1.00 1.00 H new ATOM 0 HD11 ILE A 714 38.750 -16.376 -0.771 1.00 1.00 H new ATOM 0 HD12 ILE A 714 40.506 -16.540 -1.007 1.00 1.00 H new ATOM 0 HD13 ILE A 714 39.844 -16.330 0.631 1.00 1.00 H new ATOM 460 N TRP A 715 43.050 -12.712 2.110 1.00 1.00 N ATOM 461 CA TRP A 715 44.369 -12.239 2.538 1.00 1.00 C ATOM 462 C TRP A 715 44.819 -13.068 3.746 1.00 1.00 C ATOM 463 O TRP A 715 45.930 -13.601 3.769 1.00 1.00 O ATOM 464 CB TRP A 715 44.302 -10.746 2.907 1.00 1.00 C ATOM 465 CG TRP A 715 45.641 -10.215 3.357 1.00 1.00 C ATOM 466 CD1 TRP A 715 46.842 -10.839 3.233 1.00 1.00 C ATOM 467 CD2 TRP A 715 45.916 -8.941 4.015 1.00 1.00 C ATOM 468 NE1 TRP A 715 47.827 -10.024 3.770 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.305 -8.843 4.264 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.095 -7.871 4.412 1.00 1.00 C ATOM 471 CZ2 TRP A 715 47.859 -7.721 4.889 1.00 1.00 C ATOM 472 CZ3 TRP A 715 45.648 -6.742 5.040 1.00 1.00 C ATOM 473 CH2 TRP A 715 47.027 -6.666 5.277 1.00 1.00 C ATOM 0 H TRP A 715 42.321 -12.000 2.066 1.00 1.00 H new ATOM 0 HA TRP A 715 45.087 -12.356 1.726 1.00 1.00 H new ATOM 0 HB2 TRP A 715 43.956 -10.175 2.046 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.569 -10.601 3.701 1.00 1.00 H new ATOM 0 HD1 TRP A 715 47.003 -11.810 2.789 1.00 1.00 H new ATOM 0 HE1 TRP A 715 48.817 -10.267 3.797 1.00 1.00 H new ATOM 0 HE3 TRP A 715 44.031 -7.917 4.233 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 48.922 -7.670 5.071 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 45.006 -5.928 5.342 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.446 -5.795 5.758 1.00 1.00 H new ATOM 484 N LYS A 716 43.940 -13.180 4.743 1.00 1.00 N ATOM 485 CA LYS A 716 44.252 -13.951 5.945 1.00 1.00 C ATOM 486 C LYS A 716 44.575 -15.397 5.575 1.00 1.00 C ATOM 487 O LYS A 716 45.458 -16.014 6.169 1.00 1.00 O ATOM 488 CB LYS A 716 43.054 -13.928 6.919 1.00 1.00 C ATOM 489 CG LYS A 716 43.339 -14.671 8.253 1.00 1.00 C ATOM 490 CD LYS A 716 44.151 -13.844 9.290 1.00 1.00 C ATOM 491 CE LYS A 716 45.623 -13.646 8.905 1.00 1.00 C ATOM 492 NZ LYS A 716 46.388 -13.210 10.107 1.00 1.00 N ATOM 0 H LYS A 716 43.015 -12.751 4.742 1.00 1.00 H new ATOM 0 HA LYS A 716 45.119 -13.500 6.428 1.00 1.00 H new ATOM 0 HB2 LYS A 716 42.789 -12.893 7.136 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.190 -14.383 6.434 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.390 -14.962 8.702 1.00 1.00 H new ATOM 0 HG3 LYS A 716 43.883 -15.590 8.034 1.00 1.00 H new ATOM 0 HD2 LYS A 716 43.682 -12.868 9.410 1.00 1.00 H new ATOM 0 HD3 LYS A 716 44.102 -14.343 10.258 1.00 1.00 H new ATOM 0 HE2 LYS A 716 46.037 -14.575 8.513 1.00 1.00 H new ATOM 0 HE3 LYS A 716 45.708 -12.900 8.115 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.387 -13.074 9.852 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 45.996 -12.314 10.462 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.315 -13.937 10.847 1.00 1.00 H new ATOM 506 N LEU A 717 43.852 -15.929 4.599 1.00 1.00 N ATOM 507 CA LEU A 717 44.079 -17.306 4.171 1.00 1.00 C ATOM 508 C LEU A 717 45.483 -17.455 3.607 1.00 1.00 C ATOM 509 O LEU A 717 46.133 -18.472 3.836 1.00 1.00 O ATOM 510 CB LEU A 717 43.065 -17.723 3.107 1.00 1.00 C ATOM 511 CG LEU A 717 43.263 -19.201 2.740 1.00 1.00 C ATOM 512 CD1 LEU A 717 43.038 -20.087 3.971 1.00 1.00 C ATOM 513 CD2 LEU A 717 42.254 -19.577 1.660 1.00 1.00 C ATOM 0 H LEU A 717 43.114 -15.439 4.094 1.00 1.00 H new ATOM 0 HA LEU A 717 43.962 -17.950 5.042 1.00 1.00 H new ATOM 0 HB2 LEU A 717 42.052 -17.565 3.477 1.00 1.00 H new ATOM 0 HB3 LEU A 717 43.181 -17.101 2.219 1.00 1.00 H new ATOM 0 HG LEU A 717 44.280 -19.351 2.378 1.00 1.00 H new ATOM 0 HD11 LEU A 717 43.181 -21.132 3.698 1.00 1.00 H new ATOM 0 HD12 LEU A 717 43.750 -19.815 4.750 1.00 1.00 H new ATOM 0 HD13 LEU A 717 42.023 -19.945 4.341 1.00 1.00 H new ATOM 0 HD21 LEU A 717 42.384 -20.625 1.390 1.00 1.00 H new ATOM 0 HD22 LEU A 717 41.243 -19.422 2.037 1.00 1.00 H new ATOM 0 HD23 LEU A 717 42.413 -18.953 0.780 1.00 1.00 H new ATOM 525 N LEU A 718 45.942 -16.474 2.838 1.00 1.00 N ATOM 526 CA LEU A 718 47.264 -16.583 2.232 1.00 1.00 C ATOM 527 C LEU A 718 48.352 -16.688 3.294 1.00 1.00 C ATOM 528 O LEU A 718 49.248 -17.528 3.200 1.00 1.00 O ATOM 529 CB LEU A 718 47.537 -15.360 1.352 1.00 1.00 C ATOM 530 CG LEU A 718 46.659 -15.407 0.094 1.00 1.00 C ATOM 531 CD1 LEU A 718 46.788 -14.079 -0.655 1.00 1.00 C ATOM 532 CD2 LEU A 718 47.106 -16.550 -0.830 1.00 1.00 C ATOM 0 H LEU A 718 45.434 -15.616 2.623 1.00 1.00 H new ATOM 0 HA LEU A 718 47.280 -17.489 1.626 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.334 -14.447 1.912 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.589 -15.334 1.069 1.00 1.00 H new ATOM 0 HG LEU A 718 45.624 -15.576 0.391 1.00 1.00 H new ATOM 0 HD11 LEU A 718 46.167 -14.104 -1.550 1.00 1.00 H new ATOM 0 HD12 LEU A 718 46.461 -13.264 -0.009 1.00 1.00 H new ATOM 0 HD13 LEU A 718 47.828 -13.921 -0.939 1.00 1.00 H new ATOM 0 HD21 LEU A 718 46.473 -16.569 -1.717 1.00 1.00 H new ATOM 0 HD22 LEU A 718 48.143 -16.393 -1.127 1.00 1.00 H new ATOM 0 HD23 LEU A 718 47.020 -17.500 -0.302 1.00 1.00 H new ATOM 544 N ILE A 719 48.288 -15.807 4.282 1.00 1.00 N ATOM 545 CA ILE A 719 49.279 -15.770 5.351 1.00 1.00 C ATOM 546 C ILE A 719 49.092 -16.884 6.388 1.00 1.00 C ATOM 547 O ILE A 719 50.074 -17.458 6.853 1.00 1.00 O ATOM 548 CB ILE A 719 49.227 -14.401 6.055 1.00 1.00 C ATOM 549 CG1 ILE A 719 49.400 -13.270 5.027 1.00 1.00 C ATOM 550 CG2 ILE A 719 50.331 -14.294 7.119 1.00 1.00 C ATOM 551 CD1 ILE A 719 50.708 -13.437 4.236 1.00 1.00 C ATOM 0 H ILE A 719 47.555 -15.103 4.367 1.00 1.00 H new ATOM 0 HA ILE A 719 50.251 -15.929 4.885 1.00 1.00 H new ATOM 0 HB ILE A 719 48.256 -14.307 6.541 1.00 1.00 H new ATOM 0 HG12 ILE A 719 48.554 -13.266 4.340 1.00 1.00 H new ATOM 0 HG13 ILE A 719 49.400 -12.307 5.538 1.00 1.00 H new ATOM 0 HG21 ILE A 719 50.276 -13.319 7.604 1.00 1.00 H new ATOM 0 HG22 ILE A 719 50.195 -15.078 7.864 1.00 1.00 H new ATOM 0 HG23 ILE A 719 51.306 -14.409 6.645 1.00 1.00 H new ATOM 0 HD11 ILE A 719 50.804 -12.624 3.517 1.00 1.00 H new ATOM 0 HD12 ILE A 719 51.554 -13.416 4.923 1.00 1.00 H new ATOM 0 HD13 ILE A 719 50.694 -14.390 3.707 1.00 1.00 H new