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= 0.285 USER MOD Single : A 701 MET CE :methyl 156:sc= -0.0738 (180deg=-0.758) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 131 N LEU A 694 17.021 5.907 -0.855 1.00 1.00 N ATOM 132 CA LEU A 694 17.654 5.339 0.326 1.00 1.00 C ATOM 133 C LEU A 694 18.028 3.877 0.103 1.00 1.00 C ATOM 134 O LEU A 694 19.104 3.439 0.509 1.00 1.00 O ATOM 135 CB LEU A 694 16.718 5.458 1.534 1.00 1.00 C ATOM 136 CG LEU A 694 17.433 4.974 2.803 1.00 1.00 C ATOM 137 CD1 LEU A 694 18.645 5.867 3.098 1.00 1.00 C ATOM 138 CD2 LEU A 694 16.462 5.033 3.983 1.00 1.00 C ATOM 0 HA LEU A 694 18.569 5.899 0.520 1.00 1.00 H new ATOM 0 HB2 LEU A 694 16.401 6.493 1.658 1.00 1.00 H new ATOM 0 HB3 LEU A 694 15.818 4.867 1.366 1.00 1.00 H new ATOM 0 HG LEU A 694 17.773 3.949 2.653 1.00 1.00 H new ATOM 0 HD11 LEU A 694 19.145 5.515 4.000 1.00 1.00 H new ATOM 0 HD12 LEU A 694 19.339 5.827 2.259 1.00 1.00 H new ATOM 0 HD13 LEU A 694 18.313 6.895 3.245 1.00 1.00 H new ATOM 0 HD21 LEU A 694 16.966 4.690 4.886 1.00 1.00 H new ATOM 0 HD22 LEU A 694 16.123 6.059 4.124 1.00 1.00 H new ATOM 0 HD23 LEU A 694 15.604 4.392 3.781 1.00 1.00 H new ATOM 150 N VAL A 695 17.138 3.119 -0.532 1.00 1.00 N ATOM 151 CA VAL A 695 17.384 1.705 -0.785 1.00 1.00 C ATOM 152 C VAL A 695 18.623 1.512 -1.649 1.00 1.00 C ATOM 153 O VAL A 695 19.437 0.623 -1.395 1.00 1.00 O ATOM 154 CB VAL A 695 16.178 1.081 -1.482 1.00 1.00 C ATOM 155 CG1 VAL A 695 16.491 -0.372 -1.834 1.00 1.00 C ATOM 156 CG2 VAL A 695 14.966 1.129 -0.546 1.00 1.00 C ATOM 0 H VAL A 695 16.242 3.461 -0.880 1.00 1.00 H new ATOM 0 HA VAL A 695 17.548 1.215 0.175 1.00 1.00 H new ATOM 0 HB VAL A 695 15.956 1.637 -2.393 1.00 1.00 H new ATOM 0 HG11 VAL A 695 15.631 -0.819 -2.332 1.00 1.00 H new ATOM 0 HG12 VAL A 695 17.354 -0.408 -2.499 1.00 1.00 H new ATOM 0 HG13 VAL A 695 16.712 -0.928 -0.923 1.00 1.00 H new ATOM 0 HG21 VAL A 695 14.104 0.684 -1.043 1.00 1.00 H new ATOM 0 HG22 VAL A 695 15.187 0.572 0.365 1.00 1.00 H new ATOM 0 HG23 VAL A 695 14.743 2.165 -0.293 1.00 1.00 H new ATOM 166 N VAL A 696 18.763 2.353 -2.667 1.00 1.00 N ATOM 167 CA VAL A 696 19.917 2.259 -3.552 1.00 1.00 C ATOM 168 C VAL A 696 21.198 2.477 -2.752 1.00 1.00 C ATOM 169 O VAL A 696 22.154 1.711 -2.862 1.00 1.00 O ATOM 170 CB VAL A 696 19.816 3.319 -4.652 1.00 1.00 C ATOM 171 CG1 VAL A 696 21.117 3.355 -5.456 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.650 2.982 -5.584 1.00 1.00 C ATOM 0 H VAL A 696 18.104 3.096 -2.898 1.00 1.00 H new ATOM 0 HA VAL A 696 19.937 1.269 -4.007 1.00 1.00 H new ATOM 0 HB VAL A 696 19.647 4.294 -4.196 1.00 1.00 H new ATOM 0 HG11 VAL A 696 21.041 4.111 -6.238 1.00 1.00 H new ATOM 0 HG12 VAL A 696 21.947 3.600 -4.794 1.00 1.00 H new ATOM 0 HG13 VAL A 696 21.291 2.380 -5.910 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.580 3.738 -6.366 1.00 1.00 H new ATOM 0 HG22 VAL A 696 18.817 2.005 -6.037 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.722 2.963 -5.013 1.00 1.00 H new ATOM 182 N LEU A 697 21.197 3.535 -1.945 1.00 1.00 N ATOM 183 CA LEU A 697 22.359 3.856 -1.122 1.00 1.00 C ATOM 184 C LEU A 697 22.636 2.732 -0.125 1.00 1.00 C ATOM 185 O LEU A 697 23.787 2.357 0.096 1.00 1.00 O ATOM 186 CB LEU A 697 22.113 5.174 -0.374 1.00 1.00 C ATOM 187 CG LEU A 697 22.139 6.353 -1.361 1.00 1.00 C ATOM 188 CD1 LEU A 697 21.649 7.622 -0.658 1.00 1.00 C ATOM 189 CD2 LEU A 697 23.567 6.588 -1.877 1.00 1.00 C ATOM 0 H LEU A 697 20.412 4.179 -1.844 1.00 1.00 H new ATOM 0 HA LEU A 697 23.229 3.965 -1.769 1.00 1.00 H new ATOM 0 HB2 LEU A 697 21.151 5.138 0.136 1.00 1.00 H new ATOM 0 HB3 LEU A 697 22.875 5.314 0.393 1.00 1.00 H new ATOM 0 HG LEU A 697 21.487 6.117 -2.202 1.00 1.00 H new ATOM 0 HD11 LEU A 697 21.668 8.457 -1.359 1.00 1.00 H new ATOM 0 HD12 LEU A 697 20.630 7.470 -0.302 1.00 1.00 H new ATOM 0 HD13 LEU A 697 22.300 7.844 0.188 1.00 1.00 H new ATOM 0 HD21 LEU A 697 23.569 7.426 -2.574 1.00 1.00 H new ATOM 0 HD22 LEU A 697 24.225 6.814 -1.038 1.00 1.00 H new ATOM 0 HD23 LEU A 697 23.922 5.692 -2.386 1.00 1.00 H new ATOM 201 N LEU A 698 21.573 2.196 0.471 1.00 1.00 N ATOM 202 CA LEU A 698 21.710 1.113 1.439 1.00 1.00 C ATOM 203 C LEU A 698 22.311 -0.128 0.780 1.00 1.00 C ATOM 204 O LEU A 698 23.151 -0.810 1.368 1.00 1.00 O ATOM 205 CB LEU A 698 20.345 0.759 2.050 1.00 1.00 C ATOM 206 CG LEU A 698 19.980 1.753 3.162 1.00 1.00 C ATOM 207 CD1 LEU A 698 18.549 1.486 3.634 1.00 1.00 C ATOM 208 CD2 LEU A 698 20.935 1.596 4.356 1.00 1.00 C ATOM 0 H LEU A 698 20.612 2.493 0.301 1.00 1.00 H new ATOM 0 HA LEU A 698 22.378 1.454 2.230 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.578 0.773 1.275 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.372 -0.253 2.453 1.00 1.00 H new ATOM 0 HG LEU A 698 20.063 2.765 2.766 1.00 1.00 H new ATOM 0 HD11 LEU A 698 18.289 2.191 4.423 1.00 1.00 H new ATOM 0 HD12 LEU A 698 17.861 1.608 2.797 1.00 1.00 H new ATOM 0 HD13 LEU A 698 18.476 0.468 4.018 1.00 1.00 H new ATOM 0 HD21 LEU A 698 20.663 2.308 5.136 1.00 1.00 H new ATOM 0 HD22 LEU A 698 20.863 0.582 4.749 1.00 1.00 H new ATOM 0 HD23 LEU A 698 21.958 1.787 4.031 1.00 1.00 H new ATOM 220 N SER A 699 21.879 -0.406 -0.451 1.00 1.00 N ATOM 221 CA SER A 699 22.378 -1.555 -1.202 1.00 1.00 C ATOM 222 C SER A 699 23.836 -1.346 -1.593 1.00 1.00 C ATOM 223 O SER A 699 24.637 -2.283 -1.579 1.00 1.00 O ATOM 224 CB SER A 699 21.538 -1.762 -2.462 1.00 1.00 C ATOM 225 OG SER A 699 20.234 -2.200 -2.092 1.00 1.00 O ATOM 0 H SER A 699 21.184 0.151 -0.948 1.00 1.00 H new ATOM 0 HA SER A 699 22.305 -2.438 -0.567 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.475 -0.832 -3.028 1.00 1.00 H new ATOM 0 HB3 SER A 699 22.011 -2.499 -3.111 1.00 1.00 H new ATOM 0 HG SER A 699 19.708 -1.434 -1.780 1.00 1.00 H new ATOM 231 N VAL A 700 24.166 -0.111 -1.957 1.00 1.00 N ATOM 232 CA VAL A 700 25.527 0.211 -2.366 1.00 1.00 C ATOM 233 C VAL A 700 26.502 0.002 -1.209 1.00 1.00 C ATOM 234 O VAL A 700 27.595 -0.546 -1.392 1.00 1.00 O ATOM 235 CB VAL A 700 25.581 1.662 -2.867 1.00 1.00 C ATOM 236 CG1 VAL A 700 27.034 2.131 -2.997 1.00 1.00 C ATOM 237 CG2 VAL A 700 24.914 1.745 -4.245 1.00 1.00 C ATOM 0 H VAL A 700 23.517 0.675 -1.977 1.00 1.00 H new ATOM 0 HA VAL A 700 25.823 -0.456 -3.175 1.00 1.00 H new ATOM 0 HB VAL A 700 25.061 2.298 -2.151 1.00 1.00 H new ATOM 0 HG11 VAL A 700 27.053 3.161 -3.353 1.00 1.00 H new ATOM 0 HG12 VAL A 700 27.523 2.074 -2.025 1.00 1.00 H new ATOM 0 HG13 VAL A 700 27.561 1.492 -3.706 1.00 1.00 H new ATOM 0 HG21 VAL A 700 24.950 2.773 -4.605 1.00 1.00 H new ATOM 0 HG22 VAL A 700 25.442 1.097 -4.944 1.00 1.00 H new ATOM 0 HG23 VAL A 700 23.875 1.424 -4.166 1.00 1.00 H new ATOM 247 N MET A 701 26.116 0.475 -0.028 1.00 1.00 N ATOM 248 CA MET A 701 26.973 0.373 1.148 1.00 1.00 C ATOM 249 C MET A 701 27.241 -1.080 1.528 1.00 1.00 C ATOM 250 O MET A 701 28.354 -1.429 1.918 1.00 1.00 O ATOM 251 CB MET A 701 26.313 1.097 2.323 1.00 1.00 C ATOM 252 CG MET A 701 26.413 2.607 2.101 1.00 1.00 C ATOM 253 SD MET A 701 25.551 3.478 3.436 1.00 1.00 S ATOM 254 CE MET A 701 26.713 3.093 4.770 1.00 1.00 C ATOM 0 H MET A 701 25.219 0.931 0.140 1.00 1.00 H new ATOM 0 HA MET A 701 27.930 0.837 0.909 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.268 0.798 2.410 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.802 0.821 3.257 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.459 2.912 2.071 1.00 1.00 H new ATOM 0 HG3 MET A 701 25.976 2.873 1.138 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.629 3.845 5.554 1.00 1.00 H new ATOM 0 HE2 MET A 701 26.481 2.111 5.183 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.730 3.090 4.377 1.00 1.00 H new ATOM 264 N GLY A 702 26.221 -1.926 1.426 1.00 1.00 N ATOM 265 CA GLY A 702 26.380 -3.332 1.777 1.00 1.00 C ATOM 266 C GLY A 702 27.292 -4.058 0.790 1.00 1.00 C ATOM 267 O GLY A 702 28.151 -4.845 1.188 1.00 1.00 O ATOM 0 H GLY A 702 25.287 -1.667 1.107 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.794 -3.412 2.782 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.403 -3.816 1.795 1.00 1.00 H new ATOM 271 N ALA A 703 27.076 -3.812 -0.499 1.00 1.00 N ATOM 272 CA ALA A 703 27.858 -4.470 -1.543 1.00 1.00 C ATOM 273 C ALA A 703 29.358 -4.232 -1.378 1.00 1.00 C ATOM 274 O ALA A 703 30.160 -5.163 -1.464 1.00 1.00 O ATOM 275 CB ALA A 703 27.412 -3.966 -2.914 1.00 1.00 C ATOM 0 H ALA A 703 26.369 -3.164 -0.846 1.00 1.00 H new ATOM 0 HA ALA A 703 27.681 -5.542 -1.457 1.00 1.00 H new ATOM 0 HB1 ALA A 703 27.997 -4.459 -3.691 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.355 -4.191 -3.058 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.565 -2.888 -2.973 1.00 1.00 H new ATOM 281 N ILE A 704 29.726 -2.979 -1.137 1.00 1.00 N ATOM 282 CA ILE A 704 31.135 -2.650 -0.959 1.00 1.00 C ATOM 283 C ILE A 704 31.670 -3.275 0.326 1.00 1.00 C ATOM 284 O ILE A 704 32.793 -3.780 0.358 1.00 1.00 O ATOM 285 CB ILE A 704 31.344 -1.131 -0.962 1.00 1.00 C ATOM 286 CG1 ILE A 704 30.547 -0.481 0.173 1.00 1.00 C ATOM 287 CG2 ILE A 704 30.871 -0.564 -2.299 1.00 1.00 C ATOM 288 CD1 ILE A 704 30.790 1.029 0.160 1.00 1.00 C ATOM 0 H ILE A 704 29.084 -2.190 -1.062 1.00 1.00 H new ATOM 0 HA ILE A 704 31.695 -3.065 -1.797 1.00 1.00 H new ATOM 0 HB ILE A 704 32.403 -0.917 -0.817 1.00 1.00 H new ATOM 0 HG12 ILE A 704 29.484 -0.691 0.053 1.00 1.00 H new ATOM 0 HG13 ILE A 704 30.849 -0.901 1.132 1.00 1.00 H new ATOM 0 HG21 ILE A 704 31.017 0.516 -2.308 1.00 1.00 H new ATOM 0 HG22 ILE A 704 31.445 -1.014 -3.109 1.00 1.00 H new ATOM 0 HG23 ILE A 704 29.813 -0.789 -2.436 1.00 1.00 H new ATOM 0 HD11 ILE A 704 30.224 1.496 0.967 1.00 1.00 H new ATOM 0 HD12 ILE A 704 31.853 1.228 0.300 1.00 1.00 H new ATOM 0 HD13 ILE A 704 30.467 1.441 -0.796 1.00 1.00 H new ATOM 300 N LEU A 705 30.868 -3.232 1.386 1.00 1.00 N ATOM 301 CA LEU A 705 31.278 -3.788 2.670 1.00 1.00 C ATOM 302 C LEU A 705 31.470 -5.303 2.592 1.00 1.00 C ATOM 303 O LEU A 705 32.445 -5.832 3.124 1.00 1.00 O ATOM 304 CB LEU A 705 30.228 -3.439 3.734 1.00 1.00 C ATOM 305 CG LEU A 705 30.612 -4.035 5.097 1.00 1.00 C ATOM 306 CD1 LEU A 705 31.988 -3.524 5.530 1.00 1.00 C ATOM 307 CD2 LEU A 705 29.570 -3.623 6.142 1.00 1.00 C ATOM 0 H LEU A 705 29.935 -2.820 1.381 1.00 1.00 H new ATOM 0 HA LEU A 705 32.239 -3.351 2.943 1.00 1.00 H new ATOM 0 HB2 LEU A 705 30.136 -2.356 3.819 1.00 1.00 H new ATOM 0 HB3 LEU A 705 29.253 -3.819 3.428 1.00 1.00 H new ATOM 0 HG LEU A 705 30.646 -5.121 5.012 1.00 1.00 H new ATOM 0 HD11 LEU A 705 32.248 -3.954 6.497 1.00 1.00 H new ATOM 0 HD12 LEU A 705 32.734 -3.816 4.791 1.00 1.00 H new ATOM 0 HD13 LEU A 705 31.964 -2.437 5.611 1.00 1.00 H new ATOM 0 HD21 LEU A 705 29.840 -4.044 7.110 1.00 1.00 H new ATOM 0 HD22 LEU A 705 29.538 -2.536 6.215 1.00 1.00 H new ATOM 0 HD23 LEU A 705 28.590 -3.995 5.845 1.00 1.00 H new ATOM 319 N LEU A 706 30.549 -6.008 1.943 1.00 1.00 N ATOM 320 CA LEU A 706 30.663 -7.460 1.842 1.00 1.00 C ATOM 321 C LEU A 706 31.895 -7.874 1.041 1.00 1.00 C ATOM 322 O LEU A 706 32.605 -8.808 1.412 1.00 1.00 O ATOM 323 CB LEU A 706 29.403 -8.071 1.214 1.00 1.00 C ATOM 324 CG LEU A 706 28.225 -7.980 2.198 1.00 1.00 C ATOM 325 CD1 LEU A 706 26.941 -8.416 1.490 1.00 1.00 C ATOM 326 CD2 LEU A 706 28.462 -8.896 3.409 1.00 1.00 C ATOM 0 H LEU A 706 29.729 -5.608 1.487 1.00 1.00 H new ATOM 0 HA LEU A 706 30.771 -7.842 2.857 1.00 1.00 H new ATOM 0 HB2 LEU A 706 29.157 -7.547 0.290 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.587 -9.112 0.950 1.00 1.00 H new ATOM 0 HG LEU A 706 28.136 -6.950 2.543 1.00 1.00 H new ATOM 0 HD11 LEU A 706 26.103 -8.353 2.184 1.00 1.00 H new ATOM 0 HD12 LEU A 706 26.756 -7.763 0.638 1.00 1.00 H new ATOM 0 HD13 LEU A 706 27.048 -9.444 1.143 1.00 1.00 H new ATOM 0 HD21 LEU A 706 27.618 -8.818 4.095 1.00 1.00 H new ATOM 0 HD22 LEU A 706 28.561 -9.928 3.071 1.00 1.00 H new ATOM 0 HD23 LEU A 706 29.375 -8.593 3.922 1.00 1.00 H new ATOM 338 N ILE A 707 32.153 -7.155 -0.048 1.00 1.00 N ATOM 339 CA ILE A 707 33.320 -7.447 -0.872 1.00 1.00 C ATOM 340 C ILE A 707 34.598 -7.228 -0.065 1.00 1.00 C ATOM 341 O ILE A 707 35.532 -8.028 -0.123 1.00 1.00 O ATOM 342 CB ILE A 707 33.335 -6.562 -2.123 1.00 1.00 C ATOM 343 CG1 ILE A 707 32.196 -6.988 -3.052 1.00 1.00 C ATOM 344 CG2 ILE A 707 34.675 -6.721 -2.846 1.00 1.00 C ATOM 345 CD1 ILE A 707 32.013 -5.945 -4.157 1.00 1.00 C ATOM 0 H ILE A 707 31.579 -6.378 -0.376 1.00 1.00 H new ATOM 0 HA ILE A 707 33.268 -8.490 -1.186 1.00 1.00 H new ATOM 0 HB ILE A 707 33.203 -5.518 -1.837 1.00 1.00 H new ATOM 0 HG12 ILE A 707 32.416 -7.961 -3.490 1.00 1.00 H new ATOM 0 HG13 ILE A 707 31.272 -7.096 -2.484 1.00 1.00 H new ATOM 0 HG21 ILE A 707 34.685 -6.091 -3.736 1.00 1.00 H new ATOM 0 HG22 ILE A 707 35.485 -6.422 -2.181 1.00 1.00 H new ATOM 0 HG23 ILE A 707 34.810 -7.763 -3.137 1.00 1.00 H new ATOM 0 HD11 ILE A 707 31.201 -6.252 -4.816 1.00 1.00 H new ATOM 0 HD12 ILE A 707 31.773 -4.980 -3.710 1.00 1.00 H new ATOM 0 HD13 ILE A 707 32.935 -5.859 -4.732 1.00 1.00 H new ATOM 357 N GLY A 708 34.623 -6.134 0.690 1.00 1.00 N ATOM 358 CA GLY A 708 35.788 -5.818 1.510 1.00 1.00 C ATOM 359 C GLY A 708 36.080 -6.957 2.483 1.00 1.00 C ATOM 360 O GLY A 708 37.234 -7.322 2.696 1.00 1.00 O ATOM 0 H GLY A 708 33.861 -5.459 0.751 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.654 -5.646 0.871 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.612 -4.895 2.063 1.00 1.00 H new ATOM 364 N LEU A 709 35.022 -7.519 3.063 1.00 1.00 N ATOM 365 CA LEU A 709 35.185 -8.622 4.005 1.00 1.00 C ATOM 366 C LEU A 709 35.801 -9.835 3.310 1.00 1.00 C ATOM 367 O LEU A 709 36.714 -10.465 3.841 1.00 1.00 O ATOM 368 CB LEU A 709 33.827 -9.005 4.602 1.00 1.00 C ATOM 369 CG LEU A 709 33.330 -7.879 5.519 1.00 1.00 C ATOM 370 CD1 LEU A 709 31.889 -8.164 5.941 1.00 1.00 C ATOM 371 CD2 LEU A 709 34.214 -7.779 6.771 1.00 1.00 C ATOM 0 H LEU A 709 34.056 -7.234 2.900 1.00 1.00 H new ATOM 0 HA LEU A 709 35.853 -8.298 4.803 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.105 -9.183 3.805 1.00 1.00 H new ATOM 0 HB3 LEU A 709 33.915 -9.934 5.165 1.00 1.00 H new ATOM 0 HG LEU A 709 33.378 -6.936 4.974 1.00 1.00 H new ATOM 0 HD11 LEU A 709 31.536 -7.365 6.592 1.00 1.00 H new ATOM 0 HD12 LEU A 709 31.255 -8.218 5.056 1.00 1.00 H new ATOM 0 HD13 LEU A 709 31.847 -9.113 6.476 1.00 1.00 H new ATOM 0 HD21 LEU A 709 33.849 -6.976 7.411 1.00 1.00 H new ATOM 0 HD22 LEU A 709 34.180 -8.722 7.317 1.00 1.00 H new ATOM 0 HD23 LEU A 709 35.242 -7.568 6.475 1.00 1.00 H new ATOM 383 N ALA A 710 35.307 -10.156 2.116 1.00 1.00 N ATOM 384 CA ALA A 710 35.834 -11.295 1.371 1.00 1.00 C ATOM 385 C ALA A 710 37.291 -11.054 0.990 1.00 1.00 C ATOM 386 O ALA A 710 38.105 -11.976 1.028 1.00 1.00 O ATOM 387 CB ALA A 710 35.002 -11.533 0.112 1.00 1.00 C ATOM 0 H ALA A 710 34.553 -9.651 1.650 1.00 1.00 H new ATOM 0 HA ALA A 710 35.778 -12.178 2.007 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.405 -12.385 -0.435 1.00 1.00 H new ATOM 0 HB2 ALA A 710 33.969 -11.738 0.392 1.00 1.00 H new ATOM 0 HB3 ALA A 710 35.038 -10.646 -0.521 1.00 1.00 H new ATOM 393 N ALA A 711 37.619 -9.817 0.626 1.00 1.00 N ATOM 394 CA ALA A 711 38.996 -9.510 0.251 1.00 1.00 C ATOM 395 C ALA A 711 39.924 -9.764 1.433 1.00 1.00 C ATOM 396 O ALA A 711 41.000 -10.343 1.280 1.00 1.00 O ATOM 397 CB ALA A 711 39.123 -8.049 -0.189 1.00 1.00 C ATOM 0 H ALA A 711 36.971 -9.031 0.583 1.00 1.00 H new ATOM 0 HA ALA A 711 39.277 -10.155 -0.582 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.157 -7.840 -0.464 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.476 -7.870 -1.048 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.827 -7.395 0.631 1.00 1.00 H new ATOM 403 N LEU A 712 39.501 -9.307 2.607 1.00 1.00 N ATOM 404 CA LEU A 712 40.290 -9.457 3.823 1.00 1.00 C ATOM 405 C LEU A 712 40.497 -10.926 4.193 1.00 1.00 C ATOM 406 O LEU A 712 41.574 -11.315 4.644 1.00 1.00 O ATOM 407 CB LEU A 712 39.595 -8.721 4.972 1.00 1.00 C ATOM 408 CG LEU A 712 39.697 -7.207 4.745 1.00 1.00 C ATOM 409 CD1 LEU A 712 38.760 -6.475 5.707 1.00 1.00 C ATOM 410 CD2 LEU A 712 41.136 -6.727 4.981 1.00 1.00 C ATOM 0 H LEU A 712 38.611 -8.827 2.742 1.00 1.00 H new ATOM 0 HA LEU A 712 41.274 -9.025 3.642 1.00 1.00 H new ATOM 0 HB2 LEU A 712 38.549 -9.021 5.030 1.00 1.00 H new ATOM 0 HB3 LEU A 712 40.057 -8.989 5.922 1.00 1.00 H new ATOM 0 HG LEU A 712 39.411 -6.991 3.716 1.00 1.00 H new ATOM 0 HD11 LEU A 712 38.836 -5.400 5.542 1.00 1.00 H new ATOM 0 HD12 LEU A 712 37.734 -6.797 5.531 1.00 1.00 H new ATOM 0 HD13 LEU A 712 39.041 -6.705 6.735 1.00 1.00 H new ATOM 0 HD21 LEU A 712 41.192 -5.651 4.816 1.00 1.00 H new ATOM 0 HD22 LEU A 712 41.432 -6.953 6.006 1.00 1.00 H new ATOM 0 HD23 LEU A 712 41.807 -7.236 4.289 1.00 1.00 H new ATOM 422 N LEU A 713 39.451 -11.731 4.034 1.00 1.00 N ATOM 423 CA LEU A 713 39.534 -13.145 4.394 1.00 1.00 C ATOM 424 C LEU A 713 40.564 -13.894 3.557 1.00 1.00 C ATOM 425 O LEU A 713 41.341 -14.693 4.079 1.00 1.00 O ATOM 426 CB LEU A 713 38.168 -13.814 4.236 1.00 1.00 C ATOM 427 CG LEU A 713 37.217 -13.289 5.316 1.00 1.00 C ATOM 428 CD1 LEU A 713 35.797 -13.781 5.027 1.00 1.00 C ATOM 429 CD2 LEU A 713 37.652 -13.783 6.703 1.00 1.00 C ATOM 0 H LEU A 713 38.548 -11.436 3.664 1.00 1.00 H new ATOM 0 HA LEU A 713 39.852 -13.190 5.436 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.762 -13.607 3.246 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.269 -14.896 4.319 1.00 1.00 H new ATOM 0 HG LEU A 713 37.243 -12.199 5.305 1.00 1.00 H new ATOM 0 HD11 LEU A 713 35.119 -13.408 5.795 1.00 1.00 H new ATOM 0 HD12 LEU A 713 35.477 -13.415 4.052 1.00 1.00 H new ATOM 0 HD13 LEU A 713 35.782 -14.871 5.028 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.965 -13.400 7.458 1.00 1.00 H new ATOM 0 HD22 LEU A 713 37.640 -14.873 6.721 1.00 1.00 H new ATOM 0 HD23 LEU A 713 38.660 -13.427 6.916 1.00 1.00 H new ATOM 441 N ILE A 714 40.589 -13.608 2.259 1.00 1.00 N ATOM 442 CA ILE A 714 41.557 -14.242 1.377 1.00 1.00 C ATOM 443 C ILE A 714 42.956 -13.842 1.819 1.00 1.00 C ATOM 444 O ILE A 714 43.861 -14.672 1.894 1.00 1.00 O ATOM 445 CB ILE A 714 41.317 -13.800 -0.066 1.00 1.00 C ATOM 446 CG1 ILE A 714 39.996 -14.398 -0.560 1.00 1.00 C ATOM 447 CG2 ILE A 714 42.475 -14.277 -0.949 1.00 1.00 C ATOM 448 CD1 ILE A 714 39.620 -13.780 -1.906 1.00 1.00 C ATOM 0 H ILE A 714 39.958 -12.950 1.801 1.00 1.00 H new ATOM 0 HA ILE A 714 41.450 -15.325 1.429 1.00 1.00 H new ATOM 0 HB ILE A 714 41.262 -12.713 -0.116 1.00 1.00 H new ATOM 0 HG12 ILE A 714 40.090 -15.479 -0.660 1.00 1.00 H new ATOM 0 HG13 ILE A 714 39.207 -14.213 0.169 1.00 1.00 H new ATOM 0 HG21 ILE A 714 42.302 -13.961 -1.978 1.00 1.00 H new ATOM 0 HG22 ILE A 714 43.409 -13.845 -0.589 1.00 1.00 H new ATOM 0 HG23 ILE A 714 42.539 -15.364 -0.909 1.00 1.00 H new ATOM 0 HD11 ILE A 714 38.680 -14.209 -2.253 1.00 1.00 H new ATOM 0 HD12 ILE A 714 39.507 -12.702 -1.793 1.00 1.00 H new ATOM 0 HD13 ILE A 714 40.404 -13.988 -2.634 1.00 1.00 H new ATOM 460 N TRP A 715 43.114 -12.564 2.132 1.00 1.00 N ATOM 461 CA TRP A 715 44.417 -12.101 2.586 1.00 1.00 C ATOM 462 C TRP A 715 44.842 -12.946 3.783 1.00 1.00 C ATOM 463 O TRP A 715 45.952 -13.472 3.827 1.00 1.00 O ATOM 464 CB TRP A 715 44.331 -10.625 2.998 1.00 1.00 C ATOM 465 CG TRP A 715 45.664 -10.097 3.461 1.00 1.00 C ATOM 466 CD1 TRP A 715 46.869 -10.710 3.318 1.00 1.00 C ATOM 467 CD2 TRP A 715 45.933 -8.844 4.164 1.00 1.00 C ATOM 468 NE1 TRP A 715 47.849 -9.904 3.873 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.321 -8.749 4.410 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.110 -7.793 4.603 1.00 1.00 C ATOM 471 CZ2 TRP A 715 47.876 -7.647 5.066 1.00 1.00 C ATOM 472 CZ3 TRP A 715 45.664 -6.684 5.265 1.00 1.00 C ATOM 473 CH2 TRP A 715 47.044 -6.613 5.497 1.00 1.00 C ATOM 0 H TRP A 715 42.386 -11.852 2.083 1.00 1.00 H new ATOM 0 HA TRP A 715 45.147 -12.198 1.782 1.00 1.00 H new ATOM 0 HB2 TRP A 715 43.978 -10.032 2.155 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.598 -10.512 3.796 1.00 1.00 H new ATOM 0 HD1 TRP A 715 47.035 -11.668 2.849 1.00 1.00 H new ATOM 0 HE1 TRP A 715 48.842 -10.137 3.883 1.00 1.00 H new ATOM 0 HE3 TRP A 715 44.045 -7.838 4.431 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 48.941 -7.596 5.238 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 45.022 -5.881 5.597 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.463 -5.759 6.009 1.00 1.00 H new ATOM 484 N LYS A 716 43.937 -13.076 4.751 1.00 1.00 N ATOM 485 CA LYS A 716 44.212 -13.863 5.949 1.00 1.00 C ATOM 486 C LYS A 716 44.492 -15.314 5.568 1.00 1.00 C ATOM 487 O LYS A 716 45.401 -15.941 6.110 1.00 1.00 O ATOM 488 CB LYS A 716 42.996 -13.803 6.900 1.00 1.00 C ATOM 489 CG LYS A 716 43.236 -14.537 8.246 1.00 1.00 C ATOM 490 CD LYS A 716 44.024 -13.711 9.298 1.00 1.00 C ATOM 491 CE LYS A 716 45.508 -13.528 8.960 1.00 1.00 C ATOM 492 NZ LYS A 716 46.220 -13.053 10.184 1.00 1.00 N ATOM 0 H LYS A 716 43.011 -12.648 4.729 1.00 1.00 H new ATOM 0 HA LYS A 716 45.087 -13.451 6.452 1.00 1.00 H new ATOM 0 HB2 LYS A 716 42.751 -12.760 7.101 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.132 -14.243 6.403 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.271 -14.816 8.670 1.00 1.00 H new ATOM 0 HG3 LYS A 716 43.778 -15.462 8.049 1.00 1.00 H new ATOM 0 HD2 LYS A 716 43.560 -12.729 9.396 1.00 1.00 H new ATOM 0 HD3 LYS A 716 43.940 -14.202 10.268 1.00 1.00 H new ATOM 0 HE2 LYS A 716 45.936 -14.469 8.614 1.00 1.00 H new ATOM 0 HE3 LYS A 716 45.626 -12.808 8.150 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.230 -12.924 9.970 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 45.813 -12.147 10.493 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.114 -13.757 10.942 1.00 1.00 H new ATOM 506 N LEU A 717 43.705 -15.839 4.635 1.00 1.00 N ATOM 507 CA LEU A 717 43.874 -17.219 4.191 1.00 1.00 C ATOM 508 C LEU A 717 45.264 -17.402 3.571 1.00 1.00 C ATOM 509 O LEU A 717 45.908 -18.422 3.801 1.00 1.00 O ATOM 510 CB LEU A 717 42.773 -17.570 3.180 1.00 1.00 C ATOM 511 CG LEU A 717 42.835 -19.058 2.815 1.00 1.00 C ATOM 512 CD1 LEU A 717 42.553 -19.919 4.051 1.00 1.00 C ATOM 513 CD2 LEU A 717 41.785 -19.358 1.745 1.00 1.00 C ATOM 0 H LEU A 717 42.948 -15.334 4.174 1.00 1.00 H new ATOM 0 HA LEU A 717 43.791 -17.891 5.045 1.00 1.00 H new ATOM 0 HB2 LEU A 717 41.796 -17.333 3.600 1.00 1.00 H new ATOM 0 HB3 LEU A 717 42.889 -16.964 2.282 1.00 1.00 H new ATOM 0 HG LEU A 717 43.831 -19.290 2.438 1.00 1.00 H new ATOM 0 HD11 LEU A 717 42.600 -20.973 3.778 1.00 1.00 H new ATOM 0 HD12 LEU A 717 43.298 -19.709 4.818 1.00 1.00 H new ATOM 0 HD13 LEU A 717 41.560 -19.688 4.437 1.00 1.00 H new ATOM 0 HD21 LEU A 717 41.825 -20.415 1.482 1.00 1.00 H new ATOM 0 HD22 LEU A 717 40.794 -19.117 2.130 1.00 1.00 H new ATOM 0 HD23 LEU A 717 41.986 -18.756 0.859 1.00 1.00 H new ATOM 525 N LEU A 718 45.720 -16.448 2.768 1.00 1.00 N ATOM 526 CA LEU A 718 47.025 -16.595 2.126 1.00 1.00 C ATOM 527 C LEU A 718 48.156 -16.706 3.151 1.00 1.00 C ATOM 528 O LEU A 718 49.019 -17.575 3.050 1.00 1.00 O ATOM 529 CB LEU A 718 47.296 -15.393 1.210 1.00 1.00 C ATOM 530 CG LEU A 718 46.366 -15.438 -0.014 1.00 1.00 C ATOM 531 CD1 LEU A 718 46.460 -14.113 -0.774 1.00 1.00 C ATOM 532 CD2 LEU A 718 46.770 -16.584 -0.955 1.00 1.00 C ATOM 0 H LEU A 718 45.223 -15.585 2.548 1.00 1.00 H new ATOM 0 HA LEU A 718 46.999 -17.516 1.544 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.141 -14.465 1.760 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.337 -15.401 0.886 1.00 1.00 H new ATOM 0 HG LEU A 718 45.345 -15.602 0.330 1.00 1.00 H new ATOM 0 HD11 LEU A 718 45.801 -14.144 -1.642 1.00 1.00 H new ATOM 0 HD12 LEU A 718 46.159 -13.296 -0.119 1.00 1.00 H new ATOM 0 HD13 LEU A 718 47.487 -13.955 -1.103 1.00 1.00 H new ATOM 0 HD21 LEU A 718 46.101 -16.601 -1.816 1.00 1.00 H new ATOM 0 HD22 LEU A 718 47.795 -16.432 -1.294 1.00 1.00 H new ATOM 0 HD23 LEU A 718 46.701 -17.533 -0.423 1.00 1.00 H new ATOM 544 N ILE A 719 48.154 -15.790 4.116 1.00 1.00 N ATOM 545 CA ILE A 719 49.195 -15.742 5.146 1.00 1.00 C ATOM 546 C ILE A 719 49.097 -16.880 6.167 1.00 1.00 C ATOM 547 O ILE A 719 50.115 -17.445 6.561 1.00 1.00 O ATOM 548 CB ILE A 719 49.119 -14.402 5.885 1.00 1.00 C ATOM 549 CG1 ILE A 719 49.125 -13.247 4.870 1.00 1.00 C ATOM 550 CG2 ILE A 719 50.313 -14.258 6.837 1.00 1.00 C ATOM 551 CD1 ILE A 719 50.341 -13.339 3.940 1.00 1.00 C ATOM 0 H ILE A 719 47.441 -15.067 4.209 1.00 1.00 H new ATOM 0 HA ILE A 719 50.148 -15.857 4.630 1.00 1.00 H new ATOM 0 HB ILE A 719 48.196 -14.369 6.464 1.00 1.00 H new ATOM 0 HG12 ILE A 719 48.209 -13.272 4.280 1.00 1.00 H new ATOM 0 HG13 ILE A 719 49.138 -12.294 5.398 1.00 1.00 H new ATOM 0 HG21 ILE A 719 50.250 -13.302 7.358 1.00 1.00 H new ATOM 0 HG22 ILE A 719 50.298 -15.069 7.565 1.00 1.00 H new ATOM 0 HG23 ILE A 719 51.241 -14.300 6.266 1.00 1.00 H new ATOM 0 HD11 ILE A 719 50.321 -12.510 3.232 1.00 1.00 H new ATOM 0 HD12 ILE A 719 51.256 -13.289 4.531 1.00 1.00 H new ATOM 0 HD13 ILE A 719 50.312 -14.283 3.395 1.00 1.00 H new