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 75:sc= 0.834 USER MOD Single : A 701 MET CE :methyl 155:sc= -0.157 (180deg=-0.999) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 131 N LEU A 694 16.734 5.884 -0.715 1.00 1.00 N ATOM 132 CA LEU A 694 17.501 5.256 0.354 1.00 1.00 C ATOM 133 C LEU A 694 17.902 3.823 0.003 1.00 1.00 C ATOM 134 O LEU A 694 18.989 3.373 0.365 1.00 1.00 O ATOM 135 CB LEU A 694 16.683 5.255 1.647 1.00 1.00 C ATOM 136 CG LEU A 694 16.846 6.596 2.376 1.00 1.00 C ATOM 137 CD1 LEU A 694 16.313 7.737 1.505 1.00 1.00 C ATOM 138 CD2 LEU A 694 16.061 6.556 3.688 1.00 1.00 C ATOM 0 HA LEU A 694 18.414 5.836 0.489 1.00 1.00 H new ATOM 0 HB2 LEU A 694 15.631 5.081 1.421 1.00 1.00 H new ATOM 0 HB3 LEU A 694 17.009 4.439 2.292 1.00 1.00 H new ATOM 0 HG LEU A 694 17.903 6.765 2.579 1.00 1.00 H new ATOM 0 HD11 LEU A 694 16.433 8.684 2.032 1.00 1.00 H new ATOM 0 HD12 LEU A 694 16.869 7.770 0.568 1.00 1.00 H new ATOM 0 HD13 LEU A 694 15.257 7.571 1.294 1.00 1.00 H new ATOM 0 HD21 LEU A 694 16.174 7.507 4.209 1.00 1.00 H new ATOM 0 HD22 LEU A 694 15.006 6.382 3.476 1.00 1.00 H new ATOM 0 HD23 LEU A 694 16.442 5.751 4.316 1.00 1.00 H new ATOM 150 N VAL A 695 17.017 3.096 -0.675 1.00 1.00 N ATOM 151 CA VAL A 695 17.281 1.705 -1.037 1.00 1.00 C ATOM 152 C VAL A 695 18.533 1.571 -1.902 1.00 1.00 C ATOM 153 O VAL A 695 19.354 0.679 -1.686 1.00 1.00 O ATOM 154 CB VAL A 695 16.082 1.138 -1.805 1.00 1.00 C ATOM 155 CG1 VAL A 695 16.422 -0.259 -2.328 1.00 1.00 C ATOM 156 CG2 VAL A 695 14.871 1.049 -0.875 1.00 1.00 C ATOM 0 H VAL A 695 16.111 3.447 -0.985 1.00 1.00 H new ATOM 0 HA VAL A 695 17.443 1.148 -0.114 1.00 1.00 H new ATOM 0 HB VAL A 695 15.850 1.795 -2.643 1.00 1.00 H new ATOM 0 HG11 VAL A 695 15.568 -0.661 -2.874 1.00 1.00 H new ATOM 0 HG12 VAL A 695 17.283 -0.199 -2.994 1.00 1.00 H new ATOM 0 HG13 VAL A 695 16.657 -0.914 -1.489 1.00 1.00 H new ATOM 0 HG21 VAL A 695 14.020 0.646 -1.424 1.00 1.00 H new ATOM 0 HG22 VAL A 695 15.105 0.395 -0.035 1.00 1.00 H new ATOM 0 HG23 VAL A 695 14.624 2.043 -0.503 1.00 1.00 H new ATOM 166 N VAL A 696 18.673 2.457 -2.878 1.00 1.00 N ATOM 167 CA VAL A 696 19.832 2.412 -3.761 1.00 1.00 C ATOM 168 C VAL A 696 21.126 2.642 -2.979 1.00 1.00 C ATOM 169 O VAL A 696 22.094 1.894 -3.123 1.00 1.00 O ATOM 170 CB VAL A 696 19.686 3.472 -4.852 1.00 1.00 C ATOM 171 CG1 VAL A 696 20.992 3.586 -5.637 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.552 3.064 -5.794 1.00 1.00 C ATOM 0 H VAL A 696 18.010 3.206 -3.078 1.00 1.00 H new ATOM 0 HA VAL A 696 19.882 1.423 -4.217 1.00 1.00 H new ATOM 0 HB VAL A 696 19.458 4.437 -4.399 1.00 1.00 H new ATOM 0 HG11 VAL A 696 20.885 4.343 -6.414 1.00 1.00 H new ATOM 0 HG12 VAL A 696 21.799 3.871 -4.962 1.00 1.00 H new ATOM 0 HG13 VAL A 696 21.226 2.625 -6.096 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.441 3.815 -6.576 1.00 1.00 H new ATOM 0 HG22 VAL A 696 18.784 2.100 -6.247 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.622 2.986 -5.231 1.00 1.00 H new ATOM 182 N LEU A 697 21.132 3.684 -2.151 1.00 1.00 N ATOM 183 CA LEU A 697 22.320 3.992 -1.357 1.00 1.00 C ATOM 184 C LEU A 697 22.644 2.848 -0.397 1.00 1.00 C ATOM 185 O LEU A 697 23.811 2.500 -0.203 1.00 1.00 O ATOM 186 CB LEU A 697 22.113 5.284 -0.557 1.00 1.00 C ATOM 187 CG LEU A 697 22.466 6.502 -1.420 1.00 1.00 C ATOM 188 CD1 LEU A 697 21.680 6.457 -2.730 1.00 1.00 C ATOM 189 CD2 LEU A 697 22.110 7.784 -0.661 1.00 1.00 C ATOM 0 H LEU A 697 20.345 4.318 -2.013 1.00 1.00 H new ATOM 0 HA LEU A 697 23.155 4.125 -2.045 1.00 1.00 H new ATOM 0 HB2 LEU A 697 21.077 5.353 -0.224 1.00 1.00 H new ATOM 0 HB3 LEU A 697 22.735 5.270 0.338 1.00 1.00 H new ATOM 0 HG LEU A 697 23.534 6.487 -1.640 1.00 1.00 H new ATOM 0 HD11 LEU A 697 21.936 7.325 -3.338 1.00 1.00 H new ATOM 0 HD12 LEU A 697 21.931 5.546 -3.274 1.00 1.00 H new ATOM 0 HD13 LEU A 697 20.612 6.467 -2.514 1.00 1.00 H new ATOM 0 HD21 LEU A 697 22.360 8.651 -1.273 1.00 1.00 H new ATOM 0 HD22 LEU A 697 21.043 7.792 -0.440 1.00 1.00 H new ATOM 0 HD23 LEU A 697 22.673 7.823 0.271 1.00 1.00 H new ATOM 201 N LEU A 698 21.609 2.277 0.209 1.00 1.00 N ATOM 202 CA LEU A 698 21.785 1.183 1.159 1.00 1.00 C ATOM 203 C LEU A 698 22.397 -0.049 0.495 1.00 1.00 C ATOM 204 O LEU A 698 23.257 -0.714 1.073 1.00 1.00 O ATOM 205 CB LEU A 698 20.432 0.804 1.766 1.00 1.00 C ATOM 206 CG LEU A 698 20.042 1.828 2.838 1.00 1.00 C ATOM 207 CD1 LEU A 698 18.592 1.598 3.275 1.00 1.00 C ATOM 208 CD2 LEU A 698 20.959 1.696 4.063 1.00 1.00 C ATOM 0 H LEU A 698 20.639 2.553 0.060 1.00 1.00 H new ATOM 0 HA LEU A 698 22.467 1.527 1.937 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.670 0.770 0.987 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.485 -0.193 2.204 1.00 1.00 H new ATOM 0 HG LEU A 698 20.147 2.827 2.414 1.00 1.00 H new ATOM 0 HD11 LEU A 698 18.321 2.329 4.037 1.00 1.00 H new ATOM 0 HD12 LEU A 698 17.931 1.708 2.415 1.00 1.00 H new ATOM 0 HD13 LEU A 698 18.490 0.593 3.684 1.00 1.00 H new ATOM 0 HD21 LEU A 698 20.669 2.430 4.815 1.00 1.00 H new ATOM 0 HD22 LEU A 698 20.867 0.693 4.480 1.00 1.00 H new ATOM 0 HD23 LEU A 698 21.993 1.871 3.764 1.00 1.00 H new ATOM 220 N SER A 699 21.951 -0.339 -0.726 1.00 1.00 N ATOM 221 CA SER A 699 22.455 -1.484 -1.478 1.00 1.00 C ATOM 222 C SER A 699 23.926 -1.289 -1.823 1.00 1.00 C ATOM 223 O SER A 699 24.717 -2.232 -1.775 1.00 1.00 O ATOM 224 CB SER A 699 21.640 -1.667 -2.760 1.00 1.00 C ATOM 225 OG SER A 699 20.283 -1.930 -2.421 1.00 1.00 O ATOM 0 H SER A 699 21.240 0.205 -1.215 1.00 1.00 H new ATOM 0 HA SER A 699 22.356 -2.376 -0.860 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.706 -0.771 -3.377 1.00 1.00 H new ATOM 0 HB3 SER A 699 22.046 -2.490 -3.348 1.00 1.00 H new ATOM 0 HG SER A 699 19.852 -1.100 -2.130 1.00 1.00 H new ATOM 231 N VAL A 700 24.280 -0.061 -2.176 1.00 1.00 N ATOM 232 CA VAL A 700 25.657 0.241 -2.532 1.00 1.00 C ATOM 233 C VAL A 700 26.583 0.032 -1.342 1.00 1.00 C ATOM 234 O VAL A 700 27.657 -0.554 -1.477 1.00 1.00 O ATOM 235 CB VAL A 700 25.766 1.687 -3.014 1.00 1.00 C ATOM 236 CG1 VAL A 700 27.238 2.045 -3.225 1.00 1.00 C ATOM 237 CG2 VAL A 700 25.008 1.843 -4.333 1.00 1.00 C ATOM 0 H VAL A 700 23.641 0.733 -2.223 1.00 1.00 H new ATOM 0 HA VAL A 700 25.958 -0.435 -3.332 1.00 1.00 H new ATOM 0 HB VAL A 700 25.335 2.353 -2.267 1.00 1.00 H new ATOM 0 HG11 VAL A 700 27.316 3.076 -3.569 1.00 1.00 H new ATOM 0 HG12 VAL A 700 27.778 1.934 -2.285 1.00 1.00 H new ATOM 0 HG13 VAL A 700 27.671 1.380 -3.972 1.00 1.00 H new ATOM 0 HG21 VAL A 700 25.085 2.874 -4.677 1.00 1.00 H new ATOM 0 HG22 VAL A 700 25.439 1.177 -5.081 1.00 1.00 H new ATOM 0 HG23 VAL A 700 23.959 1.589 -4.182 1.00 1.00 H new ATOM 247 N MET A 701 26.175 0.544 -0.185 1.00 1.00 N ATOM 248 CA MET A 701 26.993 0.443 1.019 1.00 1.00 C ATOM 249 C MET A 701 27.210 -1.007 1.437 1.00 1.00 C ATOM 250 O MET A 701 28.316 -1.381 1.828 1.00 1.00 O ATOM 251 CB MET A 701 26.331 1.214 2.165 1.00 1.00 C ATOM 252 CG MET A 701 26.522 2.719 1.948 1.00 1.00 C ATOM 253 SD MET A 701 25.605 3.639 3.213 1.00 1.00 S ATOM 254 CE MET A 701 26.577 3.111 4.645 1.00 1.00 C ATOM 0 H MET A 701 25.288 1.030 -0.056 1.00 1.00 H new ATOM 0 HA MET A 701 27.967 0.877 0.793 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.269 0.975 2.212 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.768 0.915 3.118 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.581 2.972 1.997 1.00 1.00 H new ATOM 0 HG3 MET A 701 26.172 3.000 0.955 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.496 3.857 5.435 1.00 1.00 H new ATOM 0 HE2 MET A 701 26.200 2.155 5.008 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.622 3.002 4.355 1.00 1.00 H new ATOM 264 N GLY A 702 26.166 -1.824 1.361 1.00 1.00 N ATOM 265 CA GLY A 702 26.291 -3.226 1.746 1.00 1.00 C ATOM 266 C GLY A 702 27.213 -3.974 0.795 1.00 1.00 C ATOM 267 O GLY A 702 28.048 -4.768 1.222 1.00 1.00 O ATOM 0 H GLY A 702 25.238 -1.547 1.042 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.679 -3.294 2.762 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.307 -3.695 1.748 1.00 1.00 H new ATOM 271 N ALA A 703 27.044 -3.733 -0.498 1.00 1.00 N ATOM 272 CA ALA A 703 27.856 -4.410 -1.501 1.00 1.00 C ATOM 273 C ALA A 703 29.346 -4.155 -1.291 1.00 1.00 C ATOM 274 O ALA A 703 30.165 -5.071 -1.379 1.00 1.00 O ATOM 275 CB ALA A 703 27.457 -3.927 -2.899 1.00 1.00 C ATOM 0 H ALA A 703 26.358 -3.079 -0.875 1.00 1.00 H new ATOM 0 HA ALA A 703 27.677 -5.481 -1.403 1.00 1.00 H new ATOM 0 HB1 ALA A 703 28.066 -4.435 -3.647 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.405 -4.151 -3.075 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.616 -2.851 -2.971 1.00 1.00 H new ATOM 281 N ILE A 704 29.685 -2.898 -1.016 1.00 1.00 N ATOM 282 CA ILE A 704 31.078 -2.519 -0.799 1.00 1.00 C ATOM 283 C ILE A 704 31.651 -3.179 0.456 1.00 1.00 C ATOM 284 O ILE A 704 32.779 -3.674 0.448 1.00 1.00 O ATOM 285 CB ILE A 704 31.179 -0.999 -0.660 1.00 1.00 C ATOM 286 CG1 ILE A 704 30.853 -0.330 -2.004 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.594 -0.616 -0.222 1.00 1.00 C ATOM 288 CD1 ILE A 704 32.112 -0.226 -2.872 1.00 1.00 C ATOM 0 H ILE A 704 29.019 -2.129 -0.939 1.00 1.00 H new ATOM 0 HA ILE A 704 31.656 -2.860 -1.658 1.00 1.00 H new ATOM 0 HB ILE A 704 30.465 -0.659 0.090 1.00 1.00 H new ATOM 0 HG12 ILE A 704 30.090 -0.906 -2.528 1.00 1.00 H new ATOM 0 HG13 ILE A 704 30.440 0.664 -1.831 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.664 0.467 -0.124 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.817 -1.083 0.738 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.311 -0.959 -0.968 1.00 1.00 H new ATOM 0 HD11 ILE A 704 31.862 0.250 -3.820 1.00 1.00 H new ATOM 0 HD12 ILE A 704 32.863 0.370 -2.354 1.00 1.00 H new ATOM 0 HD13 ILE A 704 32.507 -1.224 -3.061 1.00 1.00 H new ATOM 300 N LEU A 705 30.879 -3.165 1.537 1.00 1.00 N ATOM 301 CA LEU A 705 31.334 -3.745 2.799 1.00 1.00 C ATOM 302 C LEU A 705 31.558 -5.251 2.681 1.00 1.00 C ATOM 303 O LEU A 705 32.546 -5.777 3.194 1.00 1.00 O ATOM 304 CB LEU A 705 30.308 -3.471 3.904 1.00 1.00 C ATOM 305 CG LEU A 705 30.303 -1.979 4.264 1.00 1.00 C ATOM 306 CD1 LEU A 705 29.139 -1.692 5.213 1.00 1.00 C ATOM 307 CD2 LEU A 705 31.622 -1.592 4.948 1.00 1.00 C ATOM 0 H LEU A 705 29.942 -2.762 1.567 1.00 1.00 H new ATOM 0 HA LEU A 705 32.286 -3.277 3.050 1.00 1.00 H new ATOM 0 HB2 LEU A 705 29.315 -3.776 3.573 1.00 1.00 H new ATOM 0 HB3 LEU A 705 30.546 -4.065 4.787 1.00 1.00 H new ATOM 0 HG LEU A 705 30.192 -1.394 3.351 1.00 1.00 H new ATOM 0 HD11 LEU A 705 29.132 -0.633 5.471 1.00 1.00 H new ATOM 0 HD12 LEU A 705 28.199 -1.953 4.726 1.00 1.00 H new ATOM 0 HD13 LEU A 705 29.254 -2.286 6.120 1.00 1.00 H new ATOM 0 HD21 LEU A 705 31.605 -0.531 5.198 1.00 1.00 H new ATOM 0 HD22 LEU A 705 31.745 -2.177 5.859 1.00 1.00 H new ATOM 0 HD23 LEU A 705 32.454 -1.792 4.273 1.00 1.00 H new ATOM 319 N LEU A 706 30.648 -5.947 2.014 1.00 1.00 N ATOM 320 CA LEU A 706 30.775 -7.392 1.860 1.00 1.00 C ATOM 321 C LEU A 706 32.014 -7.778 1.057 1.00 1.00 C ATOM 322 O LEU A 706 32.730 -8.716 1.403 1.00 1.00 O ATOM 323 CB LEU A 706 29.528 -7.972 1.183 1.00 1.00 C ATOM 324 CG LEU A 706 28.507 -8.427 2.236 1.00 1.00 C ATOM 325 CD1 LEU A 706 29.009 -9.694 2.936 1.00 1.00 C ATOM 326 CD2 LEU A 706 28.282 -7.331 3.282 1.00 1.00 C ATOM 0 H LEU A 706 29.822 -5.541 1.575 1.00 1.00 H new ATOM 0 HA LEU A 706 30.878 -7.809 2.862 1.00 1.00 H new ATOM 0 HB2 LEU A 706 29.078 -7.222 0.532 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.809 -8.815 0.552 1.00 1.00 H new ATOM 0 HG LEU A 706 27.564 -8.633 1.730 1.00 1.00 H new ATOM 0 HD11 LEU A 706 28.280 -10.011 3.682 1.00 1.00 H new ATOM 0 HD12 LEU A 706 29.144 -10.487 2.200 1.00 1.00 H new ATOM 0 HD13 LEU A 706 29.961 -9.487 3.425 1.00 1.00 H new ATOM 0 HD21 LEU A 706 27.555 -7.674 4.018 1.00 1.00 H new ATOM 0 HD22 LEU A 706 29.225 -7.105 3.781 1.00 1.00 H new ATOM 0 HD23 LEU A 706 27.906 -6.433 2.793 1.00 1.00 H new ATOM 338 N ILE A 707 32.263 -7.027 -0.009 1.00 1.00 N ATOM 339 CA ILE A 707 33.427 -7.279 -0.853 1.00 1.00 C ATOM 340 C ILE A 707 34.720 -7.068 -0.064 1.00 1.00 C ATOM 341 O ILE A 707 35.659 -7.857 -0.163 1.00 1.00 O ATOM 342 CB ILE A 707 33.396 -6.350 -2.067 1.00 1.00 C ATOM 343 CG1 ILE A 707 32.241 -6.753 -2.989 1.00 1.00 C ATOM 344 CG2 ILE A 707 34.717 -6.461 -2.829 1.00 1.00 C ATOM 345 CD1 ILE A 707 32.014 -5.655 -4.029 1.00 1.00 C ATOM 0 H ILE A 707 31.681 -6.245 -0.309 1.00 1.00 H new ATOM 0 HA ILE A 707 33.396 -8.315 -1.192 1.00 1.00 H new ATOM 0 HB ILE A 707 33.254 -5.322 -1.733 1.00 1.00 H new ATOM 0 HG12 ILE A 707 32.469 -7.697 -3.484 1.00 1.00 H new ATOM 0 HG13 ILE A 707 31.334 -6.910 -2.406 1.00 1.00 H new ATOM 0 HG21 ILE A 707 34.695 -5.799 -3.694 1.00 1.00 H new ATOM 0 HG22 ILE A 707 35.540 -6.175 -2.174 1.00 1.00 H new ATOM 0 HG23 ILE A 707 34.859 -7.489 -3.162 1.00 1.00 H new ATOM 0 HD11 ILE A 707 31.192 -5.940 -4.686 1.00 1.00 H new ATOM 0 HD12 ILE A 707 31.767 -4.721 -3.524 1.00 1.00 H new ATOM 0 HD13 ILE A 707 32.920 -5.520 -4.619 1.00 1.00 H new ATOM 357 N GLY A 708 34.751 -5.997 0.721 1.00 1.00 N ATOM 358 CA GLY A 708 35.931 -5.701 1.523 1.00 1.00 C ATOM 359 C GLY A 708 36.207 -6.848 2.493 1.00 1.00 C ATOM 360 O GLY A 708 37.356 -7.233 2.713 1.00 1.00 O ATOM 0 H GLY A 708 33.986 -5.329 0.819 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.793 -5.548 0.873 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.781 -4.774 2.077 1.00 1.00 H new ATOM 364 N LEU A 709 35.139 -7.395 3.061 1.00 1.00 N ATOM 365 CA LEU A 709 35.265 -8.504 4.001 1.00 1.00 C ATOM 366 C LEU A 709 35.850 -9.733 3.302 1.00 1.00 C ATOM 367 O LEU A 709 36.768 -10.369 3.817 1.00 1.00 O ATOM 368 CB LEU A 709 33.886 -8.831 4.591 1.00 1.00 C ATOM 369 CG LEU A 709 33.982 -9.993 5.586 1.00 1.00 C ATOM 370 CD1 LEU A 709 34.944 -9.637 6.723 1.00 1.00 C ATOM 371 CD2 LEU A 709 32.594 -10.265 6.168 1.00 1.00 C ATOM 0 H LEU A 709 34.181 -7.091 2.889 1.00 1.00 H new ATOM 0 HA LEU A 709 35.941 -8.216 4.806 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.481 -7.951 5.091 1.00 1.00 H new ATOM 0 HB3 LEU A 709 33.194 -9.089 3.789 1.00 1.00 H new ATOM 0 HG LEU A 709 34.354 -10.878 5.070 1.00 1.00 H new ATOM 0 HD11 LEU A 709 35.004 -10.470 7.423 1.00 1.00 H new ATOM 0 HD12 LEU A 709 35.934 -9.436 6.313 1.00 1.00 H new ATOM 0 HD13 LEU A 709 34.580 -8.751 7.243 1.00 1.00 H new ATOM 0 HD21 LEU A 709 32.652 -11.091 6.877 1.00 1.00 H new ATOM 0 HD22 LEU A 709 32.232 -9.373 6.679 1.00 1.00 H new ATOM 0 HD23 LEU A 709 31.907 -10.526 5.363 1.00 1.00 H new ATOM 383 N ALA A 710 35.327 -10.050 2.121 1.00 1.00 N ATOM 384 CA ALA A 710 35.816 -11.199 1.364 1.00 1.00 C ATOM 385 C ALA A 710 37.296 -11.020 1.040 1.00 1.00 C ATOM 386 O ALA A 710 38.070 -11.978 1.069 1.00 1.00 O ATOM 387 CB ALA A 710 35.012 -11.338 0.068 1.00 1.00 C ATOM 0 H ALA A 710 34.572 -9.533 1.670 1.00 1.00 H new ATOM 0 HA ALA A 710 35.694 -12.101 1.963 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.377 -12.196 -0.497 1.00 1.00 H new ATOM 0 HB2 ALA A 710 33.959 -11.483 0.307 1.00 1.00 H new ATOM 0 HB3 ALA A 710 35.127 -10.434 -0.530 1.00 1.00 H new ATOM 393 N ALA A 711 37.673 -9.786 0.734 1.00 1.00 N ATOM 394 CA ALA A 711 39.066 -9.495 0.408 1.00 1.00 C ATOM 395 C ALA A 711 39.971 -9.789 1.604 1.00 1.00 C ATOM 396 O ALA A 711 41.053 -10.358 1.453 1.00 1.00 O ATOM 397 CB ALA A 711 39.200 -8.027 0.002 1.00 1.00 C ATOM 0 H ALA A 711 37.047 -8.981 0.704 1.00 1.00 H new ATOM 0 HA ALA A 711 39.373 -10.132 -0.421 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.240 -7.810 -0.241 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.575 -7.832 -0.870 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.880 -7.391 0.827 1.00 1.00 H new ATOM 403 N LEU A 712 39.527 -9.381 2.788 1.00 1.00 N ATOM 404 CA LEU A 712 40.298 -9.580 4.008 1.00 1.00 C ATOM 405 C LEU A 712 40.497 -11.071 4.313 1.00 1.00 C ATOM 406 O LEU A 712 41.560 -11.482 4.780 1.00 1.00 O ATOM 407 CB LEU A 712 39.580 -8.897 5.184 1.00 1.00 C ATOM 408 CG LEU A 712 39.653 -7.369 5.027 1.00 1.00 C ATOM 409 CD1 LEU A 712 38.686 -6.710 6.010 1.00 1.00 C ATOM 410 CD2 LEU A 712 41.075 -6.859 5.305 1.00 1.00 C ATOM 0 H LEU A 712 38.634 -8.909 2.928 1.00 1.00 H new ATOM 0 HA LEU A 712 41.283 -9.136 3.865 1.00 1.00 H new ATOM 0 HB2 LEU A 712 38.539 -9.218 5.221 1.00 1.00 H new ATOM 0 HB3 LEU A 712 40.040 -9.197 6.126 1.00 1.00 H new ATOM 0 HG LEU A 712 39.381 -7.114 4.003 1.00 1.00 H new ATOM 0 HD11 LEU A 712 38.737 -5.627 5.900 1.00 1.00 H new ATOM 0 HD12 LEU A 712 37.671 -7.048 5.804 1.00 1.00 H new ATOM 0 HD13 LEU A 712 38.960 -6.984 7.029 1.00 1.00 H new ATOM 0 HD21 LEU A 712 41.102 -5.776 5.188 1.00 1.00 H new ATOM 0 HD22 LEU A 712 41.363 -7.121 6.323 1.00 1.00 H new ATOM 0 HD23 LEU A 712 41.770 -7.318 4.602 1.00 1.00 H new ATOM 422 N LEU A 713 39.451 -11.869 4.085 1.00 1.00 N ATOM 423 CA LEU A 713 39.508 -13.307 4.374 1.00 1.00 C ATOM 424 C LEU A 713 40.542 -14.061 3.534 1.00 1.00 C ATOM 425 O LEU A 713 41.299 -14.876 4.061 1.00 1.00 O ATOM 426 CB LEU A 713 38.125 -13.951 4.176 1.00 1.00 C ATOM 427 CG LEU A 713 37.327 -13.939 5.493 1.00 1.00 C ATOM 428 CD1 LEU A 713 37.045 -12.507 5.947 1.00 1.00 C ATOM 429 CD2 LEU A 713 35.994 -14.659 5.279 1.00 1.00 C ATOM 0 H LEU A 713 38.561 -11.549 3.704 1.00 1.00 H new ATOM 0 HA LEU A 713 39.820 -13.389 5.415 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.574 -13.412 3.406 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.242 -14.976 3.825 1.00 1.00 H new ATOM 0 HG LEU A 713 37.917 -14.442 6.259 1.00 1.00 H new ATOM 0 HD11 LEU A 713 36.480 -12.525 6.879 1.00 1.00 H new ATOM 0 HD12 LEU A 713 37.988 -11.983 6.104 1.00 1.00 H new ATOM 0 HD13 LEU A 713 36.466 -11.990 5.182 1.00 1.00 H new ATOM 0 HD21 LEU A 713 35.424 -14.654 6.208 1.00 1.00 H new ATOM 0 HD22 LEU A 713 35.425 -14.148 4.502 1.00 1.00 H new ATOM 0 HD23 LEU A 713 36.181 -15.689 4.974 1.00 1.00 H new ATOM 441 N ILE A 714 40.593 -13.772 2.237 1.00 1.00 N ATOM 442 CA ILE A 714 41.572 -14.425 1.363 1.00 1.00 C ATOM 443 C ILE A 714 42.985 -14.028 1.774 1.00 1.00 C ATOM 444 O ILE A 714 43.884 -14.868 1.848 1.00 1.00 O ATOM 445 CB ILE A 714 41.322 -14.042 -0.102 1.00 1.00 C ATOM 446 CG1 ILE A 714 39.871 -14.387 -0.491 1.00 1.00 C ATOM 447 CG2 ILE A 714 42.309 -14.769 -1.019 1.00 1.00 C ATOM 448 CD1 ILE A 714 39.595 -15.886 -0.286 1.00 1.00 C ATOM 0 H ILE A 714 39.981 -13.102 1.771 1.00 1.00 H new ATOM 0 HA ILE A 714 41.463 -15.505 1.463 1.00 1.00 H new ATOM 0 HB ILE A 714 41.473 -12.969 -0.219 1.00 1.00 H new ATOM 0 HG12 ILE A 714 39.178 -13.799 0.111 1.00 1.00 H new ATOM 0 HG13 ILE A 714 39.695 -14.119 -1.533 1.00 1.00 H new ATOM 0 HG21 ILE A 714 42.119 -14.487 -2.055 1.00 1.00 H new ATOM 0 HG22 ILE A 714 43.328 -14.492 -0.749 1.00 1.00 H new ATOM 0 HG23 ILE A 714 42.184 -15.846 -0.907 1.00 1.00 H new ATOM 0 HD11 ILE A 714 38.565 -16.108 -0.566 1.00 1.00 H new ATOM 0 HD12 ILE A 714 40.274 -16.469 -0.908 1.00 1.00 H new ATOM 0 HD13 ILE A 714 39.749 -16.144 0.762 1.00 1.00 H new ATOM 460 N TRP A 715 43.169 -12.744 2.050 1.00 1.00 N ATOM 461 CA TRP A 715 44.492 -12.290 2.460 1.00 1.00 C ATOM 462 C TRP A 715 44.958 -13.132 3.652 1.00 1.00 C ATOM 463 O TRP A 715 46.075 -13.649 3.662 1.00 1.00 O ATOM 464 CB TRP A 715 44.427 -10.804 2.846 1.00 1.00 C ATOM 465 CG TRP A 715 45.779 -10.272 3.252 1.00 1.00 C ATOM 466 CD1 TRP A 715 46.975 -10.900 3.091 1.00 1.00 C ATOM 467 CD2 TRP A 715 46.079 -8.995 3.892 1.00 1.00 C ATOM 468 NE1 TRP A 715 47.978 -10.083 3.586 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.476 -8.902 4.094 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.277 -7.917 4.315 1.00 1.00 C ATOM 471 CZ2 TRP A 715 48.060 -7.780 4.692 1.00 1.00 C ATOM 472 CZ3 TRP A 715 45.861 -6.788 4.917 1.00 1.00 C ATOM 473 CH2 TRP A 715 47.249 -6.721 5.105 1.00 1.00 C ATOM 0 H TRP A 715 42.450 -12.022 2.001 1.00 1.00 H new ATOM 0 HA TRP A 715 45.200 -12.406 1.640 1.00 1.00 H new ATOM 0 HB2 TRP A 715 44.047 -10.226 2.004 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.723 -10.672 3.667 1.00 1.00 H new ATOM 0 HD1 TRP A 715 47.119 -11.875 2.650 1.00 1.00 H new ATOM 0 HE1 TRP A 715 48.969 -10.325 3.576 1.00 1.00 H new ATOM 0 HE3 TRP A 715 44.207 -7.958 4.176 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 49.130 -7.733 4.833 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 45.236 -5.967 5.237 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.690 -5.851 5.569 1.00 1.00 H new ATOM 484 N LYS A 716 44.089 -13.269 4.656 1.00 1.00 N ATOM 485 CA LYS A 716 44.424 -14.048 5.851 1.00 1.00 C ATOM 486 C LYS A 716 44.713 -15.506 5.492 1.00 1.00 C ATOM 487 O LYS A 716 45.608 -16.122 6.070 1.00 1.00 O ATOM 488 CB LYS A 716 43.261 -13.990 6.860 1.00 1.00 C ATOM 489 CG LYS A 716 43.586 -14.693 8.208 1.00 1.00 C ATOM 490 CD LYS A 716 44.432 -13.845 9.198 1.00 1.00 C ATOM 491 CE LYS A 716 45.897 -13.670 8.781 1.00 1.00 C ATOM 492 NZ LYS A 716 46.675 -13.208 9.967 1.00 1.00 N ATOM 0 H LYS A 716 43.157 -12.855 4.667 1.00 1.00 H new ATOM 0 HA LYS A 716 45.319 -13.615 6.297 1.00 1.00 H new ATOM 0 HB2 LYS A 716 43.007 -12.948 7.053 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.381 -14.456 6.417 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.649 -14.966 8.694 1.00 1.00 H new ATOM 0 HG3 LYS A 716 44.119 -15.620 7.999 1.00 1.00 H new ATOM 0 HD2 LYS A 716 43.974 -12.861 9.299 1.00 1.00 H new ATOM 0 HD3 LYS A 716 44.399 -14.314 10.181 1.00 1.00 H new ATOM 0 HE2 LYS A 716 46.299 -14.612 8.407 1.00 1.00 H new ATOM 0 HE3 LYS A 716 45.976 -12.946 7.970 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.673 -13.084 9.701 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 46.291 -12.302 10.302 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.604 -13.916 10.726 1.00 1.00 H new ATOM 506 N LEU A 717 43.959 -16.049 4.540 1.00 1.00 N ATOM 507 CA LEU A 717 44.161 -17.437 4.127 1.00 1.00 C ATOM 508 C LEU A 717 45.569 -17.612 3.581 1.00 1.00 C ATOM 509 O LEU A 717 46.218 -18.619 3.853 1.00 1.00 O ATOM 510 CB LEU A 717 43.147 -17.835 3.049 1.00 1.00 C ATOM 511 CG LEU A 717 41.790 -18.137 3.695 1.00 1.00 C ATOM 512 CD1 LEU A 717 40.742 -18.341 2.600 1.00 1.00 C ATOM 513 CD2 LEU A 717 41.879 -19.409 4.557 1.00 1.00 C ATOM 0 H LEU A 717 43.213 -15.559 4.046 1.00 1.00 H new ATOM 0 HA LEU A 717 44.020 -18.078 4.997 1.00 1.00 H new ATOM 0 HB2 LEU A 717 43.042 -17.030 2.321 1.00 1.00 H new ATOM 0 HB3 LEU A 717 43.504 -18.710 2.507 1.00 1.00 H new ATOM 0 HG LEU A 717 41.506 -17.298 4.330 1.00 1.00 H new ATOM 0 HD11 LEU A 717 39.776 -18.556 3.057 1.00 1.00 H new ATOM 0 HD12 LEU A 717 40.665 -17.436 1.997 1.00 1.00 H new ATOM 0 HD13 LEU A 717 41.037 -19.176 1.965 1.00 1.00 H new ATOM 0 HD21 LEU A 717 40.908 -19.611 5.009 1.00 1.00 H new ATOM 0 HD22 LEU A 717 42.170 -20.253 3.931 1.00 1.00 H new ATOM 0 HD23 LEU A 717 42.622 -19.266 5.342 1.00 1.00 H new ATOM 525 N LEU A 718 46.038 -16.655 2.796 1.00 1.00 N ATOM 526 CA LEU A 718 47.367 -16.776 2.214 1.00 1.00 C ATOM 527 C LEU A 718 48.437 -16.879 3.295 1.00 1.00 C ATOM 528 O LEU A 718 49.245 -17.807 3.301 1.00 1.00 O ATOM 529 CB LEU A 718 47.658 -15.567 1.315 1.00 1.00 C ATOM 530 CG LEU A 718 46.704 -15.569 0.113 1.00 1.00 C ATOM 531 CD1 LEU A 718 46.923 -14.302 -0.716 1.00 1.00 C ATOM 532 CD2 LEU A 718 46.967 -16.796 -0.768 1.00 1.00 C ATOM 0 H LEU A 718 45.533 -15.804 2.551 1.00 1.00 H new ATOM 0 HA LEU A 718 47.391 -17.689 1.620 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.540 -14.644 1.883 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.692 -15.599 0.970 1.00 1.00 H new ATOM 0 HG LEU A 718 45.678 -15.601 0.478 1.00 1.00 H new ATOM 0 HD11 LEU A 718 46.245 -14.304 -1.570 1.00 1.00 H new ATOM 0 HD12 LEU A 718 46.727 -13.425 -0.099 1.00 1.00 H new ATOM 0 HD13 LEU A 718 47.953 -14.273 -1.071 1.00 1.00 H new ATOM 0 HD21 LEU A 718 46.284 -16.787 -1.618 1.00 1.00 H new ATOM 0 HD22 LEU A 718 47.995 -16.771 -1.128 1.00 1.00 H new ATOM 0 HD23 LEU A 718 46.809 -17.703 -0.185 1.00 1.00 H new ATOM 544 N ILE A 719 48.450 -15.904 4.192 1.00 1.00 N ATOM 545 CA ILE A 719 49.434 -15.852 5.270 1.00 1.00 C ATOM 546 C ILE A 719 49.232 -16.957 6.307 1.00 1.00 C ATOM 547 O ILE A 719 50.203 -17.559 6.765 1.00 1.00 O ATOM 548 CB ILE A 719 49.369 -14.486 5.955 1.00 1.00 C ATOM 549 CG1 ILE A 719 49.805 -13.412 4.959 1.00 1.00 C ATOM 550 CG2 ILE A 719 50.320 -14.461 7.156 1.00 1.00 C ATOM 551 CD1 ILE A 719 49.462 -12.029 5.508 1.00 1.00 C ATOM 0 H ILE A 719 47.785 -15.131 4.196 1.00 1.00 H new ATOM 0 HA ILE A 719 50.415 -16.008 4.821 1.00 1.00 H new ATOM 0 HB ILE A 719 48.350 -14.299 6.294 1.00 1.00 H new ATOM 0 HG12 ILE A 719 50.877 -13.486 4.777 1.00 1.00 H new ATOM 0 HG13 ILE A 719 49.308 -13.567 4.002 1.00 1.00 H new ATOM 0 HG21 ILE A 719 50.269 -13.486 7.640 1.00 1.00 H new ATOM 0 HG22 ILE A 719 50.029 -15.234 7.867 1.00 1.00 H new ATOM 0 HG23 ILE A 719 51.339 -14.645 6.817 1.00 1.00 H new ATOM 0 HD11 ILE A 719 49.775 -11.267 4.795 1.00 1.00 H new ATOM 0 HD12 ILE A 719 48.386 -11.957 5.667 1.00 1.00 H new ATOM 0 HD13 ILE A 719 49.980 -11.875 6.454 1.00 1.00 H new