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= 0.694 USER MOD Single : A 701 MET CE :methyl 159:sc= -0.0761 (180deg=-0.64) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 131 N LEU A 694 16.728 5.727 -0.606 1.00 1.00 N ATOM 132 CA LEU A 694 17.441 5.105 0.503 1.00 1.00 C ATOM 133 C LEU A 694 17.898 3.695 0.156 1.00 1.00 C ATOM 134 O LEU A 694 18.992 3.281 0.536 1.00 1.00 O ATOM 135 CB LEU A 694 16.522 5.035 1.723 1.00 1.00 C ATOM 136 CG LEU A 694 16.544 6.364 2.475 1.00 1.00 C ATOM 137 CD1 LEU A 694 16.117 7.492 1.534 1.00 1.00 C ATOM 138 CD2 LEU A 694 15.571 6.290 3.657 1.00 1.00 C ATOM 0 HA LEU A 694 18.321 5.712 0.715 1.00 1.00 H new ATOM 0 HB2 LEU A 694 15.504 4.803 1.408 1.00 1.00 H new ATOM 0 HB3 LEU A 694 16.843 4.229 2.384 1.00 1.00 H new ATOM 0 HG LEU A 694 17.552 6.561 2.840 1.00 1.00 H new ATOM 0 HD11 LEU A 694 16.133 8.440 2.072 1.00 1.00 H new ATOM 0 HD12 LEU A 694 16.805 7.542 0.690 1.00 1.00 H new ATOM 0 HD13 LEU A 694 15.108 7.299 1.169 1.00 1.00 H new ATOM 0 HD21 LEU A 694 15.583 7.236 4.198 1.00 1.00 H new ATOM 0 HD22 LEU A 694 14.564 6.095 3.288 1.00 1.00 H new ATOM 0 HD23 LEU A 694 15.873 5.485 4.327 1.00 1.00 H new ATOM 150 N VAL A 695 17.052 2.953 -0.545 1.00 1.00 N ATOM 151 CA VAL A 695 17.377 1.582 -0.911 1.00 1.00 C ATOM 152 C VAL A 695 18.615 1.516 -1.800 1.00 1.00 C ATOM 153 O VAL A 695 19.479 0.659 -1.606 1.00 1.00 O ATOM 154 CB VAL A 695 16.202 0.932 -1.645 1.00 1.00 C ATOM 155 CG1 VAL A 695 16.618 -0.460 -2.118 1.00 1.00 C ATOM 156 CG2 VAL A 695 15.004 0.808 -0.700 1.00 1.00 C ATOM 0 H VAL A 695 16.140 3.275 -0.870 1.00 1.00 H new ATOM 0 HA VAL A 695 17.582 1.042 0.013 1.00 1.00 H new ATOM 0 HB VAL A 695 15.922 1.548 -2.500 1.00 1.00 H new ATOM 0 HG11 VAL A 695 15.786 -0.930 -2.642 1.00 1.00 H new ATOM 0 HG12 VAL A 695 17.470 -0.376 -2.792 1.00 1.00 H new ATOM 0 HG13 VAL A 695 16.895 -1.069 -1.257 1.00 1.00 H new ATOM 0 HG21 VAL A 695 14.171 0.345 -1.228 1.00 1.00 H new ATOM 0 HG22 VAL A 695 15.278 0.192 0.156 1.00 1.00 H new ATOM 0 HG23 VAL A 695 14.709 1.799 -0.355 1.00 1.00 H new ATOM 166 N VAL A 696 18.705 2.427 -2.763 1.00 1.00 N ATOM 167 CA VAL A 696 19.853 2.452 -3.664 1.00 1.00 C ATOM 168 C VAL A 696 21.143 2.691 -2.883 1.00 1.00 C ATOM 169 O VAL A 696 22.136 1.989 -3.077 1.00 1.00 O ATOM 170 CB VAL A 696 19.669 3.560 -4.707 1.00 1.00 C ATOM 171 CG1 VAL A 696 20.969 3.756 -5.488 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.544 3.173 -5.676 1.00 1.00 C ATOM 0 H VAL A 696 18.007 3.150 -2.939 1.00 1.00 H new ATOM 0 HA VAL A 696 19.922 1.487 -4.166 1.00 1.00 H new ATOM 0 HB VAL A 696 19.409 4.489 -4.200 1.00 1.00 H new ATOM 0 HG11 VAL A 696 20.833 4.545 -6.228 1.00 1.00 H new ATOM 0 HG12 VAL A 696 21.767 4.037 -4.801 1.00 1.00 H new ATOM 0 HG13 VAL A 696 21.234 2.827 -5.992 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.415 3.962 -6.417 1.00 1.00 H new ATOM 0 HG22 VAL A 696 18.802 2.241 -6.179 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.615 3.041 -5.121 1.00 1.00 H new ATOM 182 N LEU A 697 21.113 3.691 -2.005 1.00 1.00 N ATOM 183 CA LEU A 697 22.288 4.018 -1.201 1.00 1.00 C ATOM 184 C LEU A 697 22.672 2.856 -0.281 1.00 1.00 C ATOM 185 O LEU A 697 23.853 2.548 -0.114 1.00 1.00 O ATOM 186 CB LEU A 697 22.017 5.269 -0.362 1.00 1.00 C ATOM 187 CG LEU A 697 22.400 6.524 -1.158 1.00 1.00 C ATOM 188 CD1 LEU A 697 21.622 6.573 -2.471 1.00 1.00 C ATOM 189 CD2 LEU A 697 22.069 7.769 -0.332 1.00 1.00 C ATOM 0 H LEU A 697 20.300 4.282 -1.833 1.00 1.00 H new ATOM 0 HA LEU A 697 23.118 4.206 -1.882 1.00 1.00 H new ATOM 0 HB2 LEU A 697 20.964 5.311 -0.085 1.00 1.00 H new ATOM 0 HB3 LEU A 697 22.589 5.227 0.565 1.00 1.00 H new ATOM 0 HG LEU A 697 23.468 6.493 -1.375 1.00 1.00 H new ATOM 0 HD11 LEU A 697 21.902 7.468 -3.027 1.00 1.00 H new ATOM 0 HD12 LEU A 697 21.855 5.689 -3.065 1.00 1.00 H new ATOM 0 HD13 LEU A 697 20.553 6.597 -2.260 1.00 1.00 H new ATOM 0 HD21 LEU A 697 22.340 8.662 -0.895 1.00 1.00 H new ATOM 0 HD22 LEU A 697 21.001 7.788 -0.114 1.00 1.00 H new ATOM 0 HD23 LEU A 697 22.630 7.745 0.602 1.00 1.00 H new ATOM 201 N LEU A 698 21.670 2.225 0.323 1.00 1.00 N ATOM 202 CA LEU A 698 21.908 1.104 1.232 1.00 1.00 C ATOM 203 C LEU A 698 22.534 -0.102 0.518 1.00 1.00 C ATOM 204 O LEU A 698 23.393 -0.784 1.077 1.00 1.00 O ATOM 205 CB LEU A 698 20.599 0.688 1.919 1.00 1.00 C ATOM 206 CG LEU A 698 20.201 1.748 2.960 1.00 1.00 C ATOM 207 CD1 LEU A 698 18.795 1.446 3.486 1.00 1.00 C ATOM 208 CD2 LEU A 698 21.189 1.737 4.140 1.00 1.00 C ATOM 0 H LEU A 698 20.687 2.468 0.201 1.00 1.00 H new ATOM 0 HA LEU A 698 22.621 1.445 1.983 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.807 0.577 1.178 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.722 -0.281 2.402 1.00 1.00 H new ATOM 0 HG LEU A 698 20.220 2.729 2.484 1.00 1.00 H new ATOM 0 HD11 LEU A 698 18.513 2.197 4.224 1.00 1.00 H new ATOM 0 HD12 LEU A 698 18.085 1.465 2.659 1.00 1.00 H new ATOM 0 HD13 LEU A 698 18.784 0.460 3.950 1.00 1.00 H new ATOM 0 HD21 LEU A 698 20.894 2.492 4.868 1.00 1.00 H new ATOM 0 HD22 LEU A 698 21.181 0.755 4.612 1.00 1.00 H new ATOM 0 HD23 LEU A 698 22.193 1.956 3.776 1.00 1.00 H new ATOM 220 N SER A 699 22.099 -0.360 -0.717 1.00 1.00 N ATOM 221 CA SER A 699 22.619 -1.490 -1.495 1.00 1.00 C ATOM 222 C SER A 699 24.094 -1.303 -1.866 1.00 1.00 C ATOM 223 O SER A 699 24.882 -2.245 -1.775 1.00 1.00 O ATOM 224 CB SER A 699 21.791 -1.669 -2.768 1.00 1.00 C ATOM 225 OG SER A 699 20.446 -1.963 -2.413 1.00 1.00 O ATOM 0 H SER A 699 21.392 0.194 -1.199 1.00 1.00 H new ATOM 0 HA SER A 699 22.543 -2.380 -0.870 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.830 -0.763 -3.372 1.00 1.00 H new ATOM 0 HB3 SER A 699 22.204 -2.475 -3.375 1.00 1.00 H new ATOM 0 HG SER A 699 20.004 -1.146 -2.100 1.00 1.00 H new ATOM 231 N VAL A 700 24.466 -0.097 -2.294 1.00 1.00 N ATOM 232 CA VAL A 700 25.861 0.133 -2.677 1.00 1.00 C ATOM 233 C VAL A 700 26.777 -0.035 -1.470 1.00 1.00 C ATOM 234 O VAL A 700 27.858 -0.612 -1.586 1.00 1.00 O ATOM 235 CB VAL A 700 26.059 1.520 -3.303 1.00 1.00 C ATOM 236 CG1 VAL A 700 25.436 1.545 -4.701 1.00 1.00 C ATOM 237 CG2 VAL A 700 25.390 2.578 -2.436 1.00 1.00 C ATOM 0 H VAL A 700 23.848 0.710 -2.383 1.00 1.00 H new ATOM 0 HA VAL A 700 26.121 -0.610 -3.431 1.00 1.00 H new ATOM 0 HB VAL A 700 27.126 1.731 -3.373 1.00 1.00 H new ATOM 0 HG11 VAL A 700 25.577 2.531 -5.145 1.00 1.00 H new ATOM 0 HG12 VAL A 700 25.916 0.793 -5.327 1.00 1.00 H new ATOM 0 HG13 VAL A 700 24.370 1.329 -4.628 1.00 1.00 H new ATOM 0 HG21 VAL A 700 25.534 3.561 -2.885 1.00 1.00 H new ATOM 0 HG22 VAL A 700 24.323 2.366 -2.361 1.00 1.00 H new ATOM 0 HG23 VAL A 700 25.833 2.566 -1.440 1.00 1.00 H new ATOM 247 N MET A 701 26.354 0.481 -0.314 1.00 1.00 N ATOM 248 CA MET A 701 27.166 0.390 0.893 1.00 1.00 C ATOM 249 C MET A 701 27.382 -1.065 1.300 1.00 1.00 C ATOM 250 O MET A 701 28.489 -1.452 1.676 1.00 1.00 O ATOM 251 CB MET A 701 26.487 1.154 2.030 1.00 1.00 C ATOM 252 CG MET A 701 26.677 2.658 1.814 1.00 1.00 C ATOM 253 SD MET A 701 25.675 3.578 3.013 1.00 1.00 S ATOM 254 CE MET A 701 26.579 3.121 4.514 1.00 1.00 C ATOM 0 H MET A 701 25.462 0.961 -0.192 1.00 1.00 H new ATOM 0 HA MET A 701 28.140 0.833 0.686 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.425 0.911 2.063 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.912 0.856 2.988 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.729 2.921 1.926 1.00 1.00 H new ATOM 0 HG3 MET A 701 26.387 2.929 0.799 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.374 3.850 5.298 1.00 1.00 H new ATOM 0 HE2 MET A 701 26.260 2.133 4.844 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.648 3.105 4.304 1.00 1.00 H new ATOM 264 N GLY A 702 26.331 -1.876 1.215 1.00 1.00 N ATOM 265 CA GLY A 702 26.443 -3.283 1.574 1.00 1.00 C ATOM 266 C GLY A 702 27.360 -4.014 0.606 1.00 1.00 C ATOM 267 O GLY A 702 28.204 -4.807 1.016 1.00 1.00 O ATOM 0 H GLY A 702 25.404 -1.586 0.904 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.830 -3.375 2.589 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.456 -3.745 1.567 1.00 1.00 H new ATOM 271 N ALA A 703 27.171 -3.757 -0.683 1.00 1.00 N ATOM 272 CA ALA A 703 27.972 -4.411 -1.707 1.00 1.00 C ATOM 273 C ALA A 703 29.464 -4.164 -1.492 1.00 1.00 C ATOM 274 O ALA A 703 30.271 -5.094 -1.504 1.00 1.00 O ATOM 275 CB ALA A 703 27.559 -3.899 -3.089 1.00 1.00 C ATOM 0 H ALA A 703 26.474 -3.104 -1.041 1.00 1.00 H new ATOM 0 HA ALA A 703 27.794 -5.484 -1.641 1.00 1.00 H new ATOM 0 HB1 ALA A 703 28.160 -4.390 -3.854 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.505 -4.120 -3.259 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.717 -2.822 -3.140 1.00 1.00 H new ATOM 281 N ILE A 704 29.813 -2.896 -1.276 1.00 1.00 N ATOM 282 CA ILE A 704 31.201 -2.518 -1.041 1.00 1.00 C ATOM 283 C ILE A 704 31.709 -3.158 0.250 1.00 1.00 C ATOM 284 O ILE A 704 32.828 -3.669 0.304 1.00 1.00 O ATOM 285 CB ILE A 704 31.303 -0.990 -0.949 1.00 1.00 C ATOM 286 CG1 ILE A 704 31.002 -0.381 -2.323 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.713 -0.584 -0.504 1.00 1.00 C ATOM 288 CD1 ILE A 704 30.817 1.133 -2.190 1.00 1.00 C ATOM 0 H ILE A 704 29.154 -2.117 -1.259 1.00 1.00 H new ATOM 0 HA ILE A 704 31.816 -2.871 -1.868 1.00 1.00 H new ATOM 0 HB ILE A 704 30.582 -0.624 -0.218 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.817 -0.598 -3.013 1.00 1.00 H new ATOM 0 HG13 ILE A 704 30.102 -0.831 -2.741 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.776 0.502 -0.441 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.925 -1.017 0.474 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.442 -0.949 -1.228 1.00 1.00 H new ATOM 0 HD11 ILE A 704 30.603 1.561 -3.169 1.00 1.00 H new ATOM 0 HD12 ILE A 704 29.987 1.340 -1.515 1.00 1.00 H new ATOM 0 HD13 ILE A 704 31.729 1.577 -1.791 1.00 1.00 H new ATOM 300 N LEU A 705 30.883 -3.119 1.293 1.00 1.00 N ATOM 301 CA LEU A 705 31.268 -3.691 2.584 1.00 1.00 C ATOM 302 C LEU A 705 31.491 -5.199 2.489 1.00 1.00 C ATOM 303 O LEU A 705 32.456 -5.719 3.040 1.00 1.00 O ATOM 304 CB LEU A 705 30.176 -3.407 3.631 1.00 1.00 C ATOM 305 CG LEU A 705 30.551 -4.030 4.989 1.00 1.00 C ATOM 306 CD1 LEU A 705 31.910 -3.503 5.462 1.00 1.00 C ATOM 307 CD2 LEU A 705 29.486 -3.660 6.024 1.00 1.00 C ATOM 0 H LEU A 705 29.952 -2.702 1.273 1.00 1.00 H new ATOM 0 HA LEU A 705 32.206 -3.223 2.884 1.00 1.00 H new ATOM 0 HB2 LEU A 705 30.043 -2.331 3.743 1.00 1.00 H new ATOM 0 HB3 LEU A 705 29.223 -3.812 3.290 1.00 1.00 H new ATOM 0 HG LEU A 705 30.608 -5.113 4.876 1.00 1.00 H new ATOM 0 HD11 LEU A 705 32.160 -3.953 6.423 1.00 1.00 H new ATOM 0 HD12 LEU A 705 32.675 -3.761 4.730 1.00 1.00 H new ATOM 0 HD13 LEU A 705 31.862 -2.419 5.570 1.00 1.00 H new ATOM 0 HD21 LEU A 705 29.747 -4.099 6.987 1.00 1.00 H new ATOM 0 HD22 LEU A 705 29.434 -2.576 6.121 1.00 1.00 H new ATOM 0 HD23 LEU A 705 28.517 -4.042 5.702 1.00 1.00 H new ATOM 319 N LEU A 706 30.593 -5.906 1.815 1.00 1.00 N ATOM 320 CA LEU A 706 30.712 -7.359 1.702 1.00 1.00 C ATOM 321 C LEU A 706 31.984 -7.774 0.973 1.00 1.00 C ATOM 322 O LEU A 706 32.671 -8.716 1.371 1.00 1.00 O ATOM 323 CB LEU A 706 29.501 -7.927 0.958 1.00 1.00 C ATOM 324 CG LEU A 706 28.244 -7.806 1.829 1.00 1.00 C ATOM 325 CD1 LEU A 706 27.003 -8.041 0.967 1.00 1.00 C ATOM 326 CD2 LEU A 706 28.268 -8.841 2.965 1.00 1.00 C ATOM 0 H LEU A 706 29.783 -5.506 1.343 1.00 1.00 H new ATOM 0 HA LEU A 706 30.755 -7.759 2.715 1.00 1.00 H new ATOM 0 HB2 LEU A 706 29.356 -7.391 0.020 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.678 -8.972 0.704 1.00 1.00 H new ATOM 0 HG LEU A 706 28.218 -6.806 2.262 1.00 1.00 H new ATOM 0 HD11 LEU A 706 26.109 -7.955 1.585 1.00 1.00 H new ATOM 0 HD12 LEU A 706 26.967 -7.297 0.171 1.00 1.00 H new ATOM 0 HD13 LEU A 706 27.047 -9.038 0.530 1.00 1.00 H new ATOM 0 HD21 LEU A 706 27.368 -8.738 3.570 1.00 1.00 H new ATOM 0 HD22 LEU A 706 28.308 -9.845 2.542 1.00 1.00 H new ATOM 0 HD23 LEU A 706 29.146 -8.676 3.589 1.00 1.00 H new ATOM 338 N ILE A 707 32.294 -7.045 -0.090 1.00 1.00 N ATOM 339 CA ILE A 707 33.493 -7.320 -0.870 1.00 1.00 C ATOM 340 C ILE A 707 34.736 -7.126 -0.004 1.00 1.00 C ATOM 341 O ILE A 707 35.673 -7.922 -0.051 1.00 1.00 O ATOM 342 CB ILE A 707 33.557 -6.376 -2.067 1.00 1.00 C ATOM 343 CG1 ILE A 707 32.439 -6.720 -3.054 1.00 1.00 C ATOM 344 CG2 ILE A 707 34.914 -6.519 -2.757 1.00 1.00 C ATOM 345 CD1 ILE A 707 32.311 -5.601 -4.089 1.00 1.00 C ATOM 0 H ILE A 707 31.735 -6.263 -0.431 1.00 1.00 H new ATOM 0 HA ILE A 707 33.457 -8.351 -1.221 1.00 1.00 H new ATOM 0 HB ILE A 707 33.431 -5.349 -1.725 1.00 1.00 H new ATOM 0 HG12 ILE A 707 32.656 -7.666 -3.550 1.00 1.00 H new ATOM 0 HG13 ILE A 707 31.496 -6.848 -2.522 1.00 1.00 H new ATOM 0 HG21 ILE A 707 34.960 -5.845 -3.612 1.00 1.00 H new ATOM 0 HG22 ILE A 707 35.708 -6.268 -2.054 1.00 1.00 H new ATOM 0 HG23 ILE A 707 35.043 -7.546 -3.098 1.00 1.00 H new ATOM 0 HD11 ILE A 707 31.515 -5.845 -4.792 1.00 1.00 H new ATOM 0 HD12 ILE A 707 32.075 -4.664 -3.585 1.00 1.00 H new ATOM 0 HD13 ILE A 707 33.252 -5.495 -4.629 1.00 1.00 H new ATOM 357 N GLY A 708 34.729 -6.052 0.781 1.00 1.00 N ATOM 358 CA GLY A 708 35.859 -5.745 1.653 1.00 1.00 C ATOM 359 C GLY A 708 36.135 -6.895 2.620 1.00 1.00 C ATOM 360 O GLY A 708 37.288 -7.261 2.845 1.00 1.00 O ATOM 0 H GLY A 708 33.960 -5.384 0.831 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.746 -5.552 1.050 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.652 -4.835 2.215 1.00 1.00 H new ATOM 364 N LEU A 709 35.076 -7.462 3.186 1.00 1.00 N ATOM 365 CA LEU A 709 35.243 -8.572 4.123 1.00 1.00 C ATOM 366 C LEU A 709 35.856 -9.781 3.425 1.00 1.00 C ATOM 367 O LEU A 709 36.753 -10.430 3.967 1.00 1.00 O ATOM 368 CB LEU A 709 33.897 -8.960 4.750 1.00 1.00 C ATOM 369 CG LEU A 709 33.650 -8.164 6.045 1.00 1.00 C ATOM 370 CD1 LEU A 709 34.566 -8.681 7.160 1.00 1.00 C ATOM 371 CD2 LEU A 709 33.931 -6.675 5.825 1.00 1.00 C ATOM 0 H LEU A 709 34.110 -7.181 3.019 1.00 1.00 H new ATOM 0 HA LEU A 709 35.918 -8.244 4.913 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.091 -8.769 4.041 1.00 1.00 H new ATOM 0 HB3 LEU A 709 33.885 -10.028 4.966 1.00 1.00 H new ATOM 0 HG LEU A 709 32.606 -8.295 6.330 1.00 1.00 H new ATOM 0 HD11 LEU A 709 34.385 -8.113 8.072 1.00 1.00 H new ATOM 0 HD12 LEU A 709 34.358 -9.735 7.342 1.00 1.00 H new ATOM 0 HD13 LEU A 709 35.607 -8.563 6.860 1.00 1.00 H new ATOM 0 HD21 LEU A 709 33.751 -6.130 6.752 1.00 1.00 H new ATOM 0 HD22 LEU A 709 34.969 -6.542 5.522 1.00 1.00 H new ATOM 0 HD23 LEU A 709 33.273 -6.292 5.045 1.00 1.00 H new ATOM 383 N ALA A 710 35.375 -10.083 2.223 1.00 1.00 N ATOM 384 CA ALA A 710 35.901 -11.220 1.477 1.00 1.00 C ATOM 385 C ALA A 710 37.368 -10.990 1.127 1.00 1.00 C ATOM 386 O ALA A 710 38.182 -11.914 1.190 1.00 1.00 O ATOM 387 CB ALA A 710 35.097 -11.426 0.193 1.00 1.00 C ATOM 0 H ALA A 710 34.634 -9.565 1.751 1.00 1.00 H new ATOM 0 HA ALA A 710 35.817 -12.110 2.101 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.499 -12.278 -0.355 1.00 1.00 H new ATOM 0 HB2 ALA A 710 34.053 -11.616 0.444 1.00 1.00 H new ATOM 0 HB3 ALA A 710 35.164 -10.531 -0.426 1.00 1.00 H new ATOM 393 N ALA A 711 37.701 -9.754 0.764 1.00 1.00 N ATOM 394 CA ALA A 711 39.079 -9.442 0.413 1.00 1.00 C ATOM 395 C ALA A 711 39.994 -9.694 1.608 1.00 1.00 C ATOM 396 O ALA A 711 41.069 -10.274 1.461 1.00 1.00 O ATOM 397 CB ALA A 711 39.192 -7.984 -0.039 1.00 1.00 C ATOM 0 H ALA A 711 37.051 -8.970 0.706 1.00 1.00 H new ATOM 0 HA ALA A 711 39.387 -10.088 -0.409 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.227 -7.763 -0.299 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.557 -7.823 -0.910 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.872 -7.327 0.770 1.00 1.00 H new ATOM 403 N LEU A 712 39.566 -9.249 2.788 1.00 1.00 N ATOM 404 CA LEU A 712 40.361 -9.425 3.998 1.00 1.00 C ATOM 405 C LEU A 712 40.552 -10.905 4.344 1.00 1.00 C ATOM 406 O LEU A 712 41.632 -11.316 4.762 1.00 1.00 O ATOM 407 CB LEU A 712 39.690 -8.710 5.179 1.00 1.00 C ATOM 408 CG LEU A 712 39.766 -7.188 4.987 1.00 1.00 C ATOM 409 CD1 LEU A 712 38.943 -6.494 6.075 1.00 1.00 C ATOM 410 CD2 LEU A 712 41.219 -6.706 5.075 1.00 1.00 C ATOM 0 H LEU A 712 38.678 -8.767 2.930 1.00 1.00 H new ATOM 0 HA LEU A 712 41.342 -8.990 3.808 1.00 1.00 H new ATOM 0 HB2 LEU A 712 38.649 -9.023 5.259 1.00 1.00 H new ATOM 0 HB3 LEU A 712 40.180 -8.992 6.111 1.00 1.00 H new ATOM 0 HG LEU A 712 39.369 -6.942 4.002 1.00 1.00 H new ATOM 0 HD11 LEU A 712 38.997 -5.414 5.939 1.00 1.00 H new ATOM 0 HD12 LEU A 712 37.904 -6.817 6.007 1.00 1.00 H new ATOM 0 HD13 LEU A 712 39.341 -6.756 7.055 1.00 1.00 H new ATOM 0 HD21 LEU A 712 41.253 -5.625 4.937 1.00 1.00 H new ATOM 0 HD22 LEU A 712 41.628 -6.960 6.053 1.00 1.00 H new ATOM 0 HD23 LEU A 712 41.811 -7.190 4.298 1.00 1.00 H new ATOM 422 N LEU A 713 39.487 -11.694 4.199 1.00 1.00 N ATOM 423 CA LEU A 713 39.546 -13.116 4.538 1.00 1.00 C ATOM 424 C LEU A 713 40.544 -13.887 3.688 1.00 1.00 C ATOM 425 O LEU A 713 41.314 -14.699 4.199 1.00 1.00 O ATOM 426 CB LEU A 713 38.166 -13.750 4.363 1.00 1.00 C ATOM 427 CG LEU A 713 37.226 -13.247 5.462 1.00 1.00 C ATOM 428 CD1 LEU A 713 35.794 -13.680 5.140 1.00 1.00 C ATOM 429 CD2 LEU A 713 37.645 -13.823 6.826 1.00 1.00 C ATOM 0 H LEU A 713 38.582 -11.377 3.853 1.00 1.00 H new ATOM 0 HA LEU A 713 39.875 -13.174 5.576 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.762 -13.500 3.382 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.245 -14.836 4.408 1.00 1.00 H new ATOM 0 HG LEU A 713 37.281 -12.159 5.508 1.00 1.00 H new ATOM 0 HD11 LEU A 713 35.122 -13.324 5.921 1.00 1.00 H new ATOM 0 HD12 LEU A 713 35.493 -13.258 4.181 1.00 1.00 H new ATOM 0 HD13 LEU A 713 35.746 -14.768 5.088 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.969 -13.458 7.599 1.00 1.00 H new ATOM 0 HD22 LEU A 713 37.601 -14.912 6.790 1.00 1.00 H new ATOM 0 HD23 LEU A 713 38.663 -13.509 7.057 1.00 1.00 H new ATOM 441 N ILE A 714 40.540 -13.615 2.392 1.00 1.00 N ATOM 442 CA ILE A 714 41.467 -14.280 1.490 1.00 1.00 C ATOM 443 C ILE A 714 42.891 -13.901 1.870 1.00 1.00 C ATOM 444 O ILE A 714 43.783 -14.744 1.915 1.00 1.00 O ATOM 445 CB ILE A 714 41.177 -13.864 0.052 1.00 1.00 C ATOM 446 CG1 ILE A 714 39.826 -14.443 -0.377 1.00 1.00 C ATOM 447 CG2 ILE A 714 42.279 -14.397 -0.861 1.00 1.00 C ATOM 448 CD1 ILE A 714 39.384 -13.801 -1.693 1.00 1.00 C ATOM 0 H ILE A 714 39.913 -12.946 1.945 1.00 1.00 H new ATOM 0 HA ILE A 714 41.348 -15.360 1.571 1.00 1.00 H new ATOM 0 HB ILE A 714 41.145 -12.777 -0.019 1.00 1.00 H new ATOM 0 HG12 ILE A 714 39.904 -15.524 -0.497 1.00 1.00 H new ATOM 0 HG13 ILE A 714 39.080 -14.261 0.396 1.00 1.00 H new ATOM 0 HG21 ILE A 714 42.074 -14.101 -1.890 1.00 1.00 H new ATOM 0 HG22 ILE A 714 43.240 -13.986 -0.550 1.00 1.00 H new ATOM 0 HG23 ILE A 714 42.311 -15.485 -0.796 1.00 1.00 H new ATOM 0 HD11 ILE A 714 38.422 -14.216 -1.995 1.00 1.00 H new ATOM 0 HD12 ILE A 714 39.289 -12.724 -1.558 1.00 1.00 H new ATOM 0 HD13 ILE A 714 40.126 -14.006 -2.465 1.00 1.00 H new ATOM 460 N TRP A 715 43.077 -12.620 2.155 1.00 1.00 N ATOM 461 CA TRP A 715 44.403 -12.167 2.548 1.00 1.00 C ATOM 462 C TRP A 715 44.861 -13.002 3.745 1.00 1.00 C ATOM 463 O TRP A 715 45.972 -13.531 3.768 1.00 1.00 O ATOM 464 CB TRP A 715 44.337 -10.679 2.913 1.00 1.00 C ATOM 465 CG TRP A 715 45.676 -10.138 3.330 1.00 1.00 C ATOM 466 CD1 TRP A 715 46.874 -10.763 3.201 1.00 1.00 C ATOM 467 CD2 TRP A 715 45.957 -8.849 3.946 1.00 1.00 C ATOM 468 NE1 TRP A 715 47.865 -9.934 3.700 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.349 -8.744 4.171 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.140 -7.771 4.329 1.00 1.00 C ATOM 471 CZ2 TRP A 715 47.912 -7.608 4.753 1.00 1.00 C ATOM 472 CZ3 TRP A 715 45.701 -6.627 4.914 1.00 1.00 C ATOM 473 CH2 TRP A 715 47.084 -6.544 5.126 1.00 1.00 C ATOM 0 H TRP A 715 42.356 -11.899 2.124 1.00 1.00 H new ATOM 0 HA TRP A 715 45.115 -12.290 1.732 1.00 1.00 H new ATOM 0 HB2 TRP A 715 43.968 -10.113 2.058 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.621 -10.536 3.722 1.00 1.00 H new ATOM 0 HD1 TRP A 715 47.029 -11.745 2.779 1.00 1.00 H new ATOM 0 HE1 TRP A 715 48.856 -10.174 3.717 1.00 1.00 H new ATOM 0 HE3 TRP A 715 44.073 -7.824 4.172 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 48.978 -7.550 4.914 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 45.063 -5.805 5.203 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.510 -5.660 5.577 1.00 1.00 H new ATOM 484 N LYS A 716 43.981 -13.126 4.735 1.00 1.00 N ATOM 485 CA LYS A 716 44.289 -13.907 5.931 1.00 1.00 C ATOM 486 C LYS A 716 44.558 -15.364 5.549 1.00 1.00 C ATOM 487 O LYS A 716 45.469 -15.995 6.083 1.00 1.00 O ATOM 488 CB LYS A 716 43.097 -13.867 6.907 1.00 1.00 C ATOM 489 CG LYS A 716 43.421 -14.518 8.274 1.00 1.00 C ATOM 490 CD LYS A 716 44.118 -13.563 9.283 1.00 1.00 C ATOM 491 CE LYS A 716 45.501 -13.083 8.844 1.00 1.00 C ATOM 492 NZ LYS A 716 46.188 -12.475 10.016 1.00 1.00 N ATOM 0 H LYS A 716 43.055 -12.699 4.734 1.00 1.00 H new ATOM 0 HA LYS A 716 45.172 -13.479 6.406 1.00 1.00 H new ATOM 0 HB2 LYS A 716 42.797 -12.831 7.065 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.247 -14.380 6.457 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.496 -14.885 8.718 1.00 1.00 H new ATOM 0 HG3 LYS A 716 44.061 -15.385 8.109 1.00 1.00 H new ATOM 0 HD2 LYS A 716 43.479 -12.695 9.444 1.00 1.00 H new ATOM 0 HD3 LYS A 716 44.211 -14.072 10.242 1.00 1.00 H new ATOM 0 HE2 LYS A 716 46.085 -13.917 8.454 1.00 1.00 H new ATOM 0 HE3 LYS A 716 45.410 -12.354 8.039 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.132 -12.143 9.732 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 45.630 -11.671 10.367 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.283 -13.185 10.770 1.00 1.00 H new ATOM 506 N LEU A 717 43.757 -15.890 4.625 1.00 1.00 N ATOM 507 CA LEU A 717 43.926 -17.272 4.187 1.00 1.00 C ATOM 508 C LEU A 717 45.326 -17.450 3.603 1.00 1.00 C ATOM 509 O LEU A 717 45.966 -18.472 3.845 1.00 1.00 O ATOM 510 CB LEU A 717 42.863 -17.628 3.135 1.00 1.00 C ATOM 511 CG LEU A 717 43.048 -19.076 2.650 1.00 1.00 C ATOM 512 CD1 LEU A 717 42.964 -20.047 3.832 1.00 1.00 C ATOM 513 CD2 LEU A 717 41.944 -19.424 1.644 1.00 1.00 C ATOM 0 H LEU A 717 42.994 -15.388 4.171 1.00 1.00 H new ATOM 0 HA LEU A 717 43.804 -17.939 5.041 1.00 1.00 H new ATOM 0 HB2 LEU A 717 41.867 -17.505 3.560 1.00 1.00 H new ATOM 0 HB3 LEU A 717 42.936 -16.943 2.290 1.00 1.00 H new ATOM 0 HG LEU A 717 44.027 -19.164 2.179 1.00 1.00 H new ATOM 0 HD11 LEU A 717 43.097 -21.068 3.474 1.00 1.00 H new ATOM 0 HD12 LEU A 717 43.746 -19.811 4.553 1.00 1.00 H new ATOM 0 HD13 LEU A 717 41.989 -19.954 4.311 1.00 1.00 H new ATOM 0 HD21 LEU A 717 42.075 -20.450 1.300 1.00 1.00 H new ATOM 0 HD22 LEU A 717 40.970 -19.323 2.123 1.00 1.00 H new ATOM 0 HD23 LEU A 717 42.001 -18.746 0.792 1.00 1.00 H new ATOM 525 N LEU A 718 45.794 -16.490 2.815 1.00 1.00 N ATOM 526 CA LEU A 718 47.108 -16.633 2.202 1.00 1.00 C ATOM 527 C LEU A 718 48.211 -16.713 3.245 1.00 1.00 C ATOM 528 O LEU A 718 49.097 -17.561 3.164 1.00 1.00 O ATOM 529 CB LEU A 718 47.381 -15.464 1.259 1.00 1.00 C ATOM 530 CG LEU A 718 46.465 -15.576 0.036 1.00 1.00 C ATOM 531 CD1 LEU A 718 46.563 -14.292 -0.785 1.00 1.00 C ATOM 532 CD2 LEU A 718 46.880 -16.771 -0.838 1.00 1.00 C ATOM 0 H LEU A 718 45.299 -15.627 2.590 1.00 1.00 H new ATOM 0 HA LEU A 718 47.105 -17.566 1.639 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.207 -14.519 1.773 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.425 -15.469 0.947 1.00 1.00 H new ATOM 0 HG LEU A 718 45.440 -15.726 0.375 1.00 1.00 H new ATOM 0 HD11 LEU A 718 45.913 -14.367 -1.657 1.00 1.00 H new ATOM 0 HD12 LEU A 718 46.254 -13.445 -0.173 1.00 1.00 H new ATOM 0 HD13 LEU A 718 47.593 -14.147 -1.112 1.00 1.00 H new ATOM 0 HD21 LEU A 718 46.219 -16.836 -1.702 1.00 1.00 H new ATOM 0 HD22 LEU A 718 47.907 -16.635 -1.176 1.00 1.00 H new ATOM 0 HD23 LEU A 718 46.808 -17.690 -0.256 1.00 1.00 H new ATOM 544 N ILE A 719 48.178 -15.804 4.204 1.00 1.00 N ATOM 545 CA ILE A 719 49.196 -15.759 5.243 1.00 1.00 C ATOM 546 C ILE A 719 49.088 -16.904 6.245 1.00 1.00 C ATOM 547 O ILE A 719 50.103 -17.473 6.646 1.00 1.00 O ATOM 548 CB ILE A 719 49.104 -14.442 6.001 1.00 1.00 C ATOM 549 CG1 ILE A 719 49.477 -13.290 5.070 1.00 1.00 C ATOM 550 CG2 ILE A 719 50.078 -14.479 7.180 1.00 1.00 C ATOM 551 CD1 ILE A 719 49.045 -11.969 5.709 1.00 1.00 C ATOM 0 H ILE A 719 47.458 -15.086 4.286 1.00 1.00 H new ATOM 0 HA ILE A 719 50.155 -15.855 4.734 1.00 1.00 H new ATOM 0 HB ILE A 719 48.087 -14.296 6.365 1.00 1.00 H new ATOM 0 HG12 ILE A 719 50.552 -13.286 4.889 1.00 1.00 H new ATOM 0 HG13 ILE A 719 48.991 -13.416 4.102 1.00 1.00 H new ATOM 0 HG21 ILE A 719 50.020 -13.540 7.730 1.00 1.00 H new ATOM 0 HG22 ILE A 719 49.816 -15.304 7.843 1.00 1.00 H new ATOM 0 HG23 ILE A 719 51.093 -14.620 6.809 1.00 1.00 H new ATOM 0 HD11 ILE A 719 49.309 -11.142 5.049 1.00 1.00 H new ATOM 0 HD12 ILE A 719 47.967 -11.977 5.868 1.00 1.00 H new ATOM 0 HD13 ILE A 719 49.552 -11.845 6.666 1.00 1.00 H new