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 74:sc= 0.797 USER MOD Single : A 701 MET CE :methyl 154:sc= -0.183 (180deg=-1.1) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 131 N LEU A 694 17.011 6.080 -1.077 1.00 1.00 N ATOM 132 CA LEU A 694 17.561 5.543 0.167 1.00 1.00 C ATOM 133 C LEU A 694 17.908 4.063 0.030 1.00 1.00 C ATOM 134 O LEU A 694 18.937 3.610 0.527 1.00 1.00 O ATOM 135 CB LEU A 694 16.548 5.723 1.307 1.00 1.00 C ATOM 136 CG LEU A 694 16.599 7.162 1.848 1.00 1.00 C ATOM 137 CD1 LEU A 694 17.935 7.422 2.554 1.00 1.00 C ATOM 138 CD2 LEU A 694 16.432 8.155 0.692 1.00 1.00 C ATOM 0 HA LEU A 694 18.476 6.092 0.391 1.00 1.00 H new ATOM 0 HB2 LEU A 694 15.544 5.498 0.948 1.00 1.00 H new ATOM 0 HB3 LEU A 694 16.765 5.018 2.110 1.00 1.00 H new ATOM 0 HG LEU A 694 15.789 7.293 2.565 1.00 1.00 H new ATOM 0 HD11 LEU A 694 17.954 8.445 2.931 1.00 1.00 H new ATOM 0 HD12 LEU A 694 18.048 6.727 3.386 1.00 1.00 H new ATOM 0 HD13 LEU A 694 18.753 7.280 1.848 1.00 1.00 H new ATOM 0 HD21 LEU A 694 16.469 9.173 1.079 1.00 1.00 H new ATOM 0 HD22 LEU A 694 17.236 8.012 -0.030 1.00 1.00 H new ATOM 0 HD23 LEU A 694 15.472 7.987 0.204 1.00 1.00 H new ATOM 150 N VAL A 695 17.047 3.311 -0.636 1.00 1.00 N ATOM 151 CA VAL A 695 17.268 1.883 -0.824 1.00 1.00 C ATOM 152 C VAL A 695 18.537 1.633 -1.632 1.00 1.00 C ATOM 153 O VAL A 695 19.312 0.724 -1.334 1.00 1.00 O ATOM 154 CB VAL A 695 16.075 1.268 -1.546 1.00 1.00 C ATOM 155 CG1 VAL A 695 16.383 -0.187 -1.891 1.00 1.00 C ATOM 156 CG2 VAL A 695 14.849 1.331 -0.635 1.00 1.00 C ATOM 0 H VAL A 695 16.187 3.664 -1.056 1.00 1.00 H new ATOM 0 HA VAL A 695 17.383 1.421 0.156 1.00 1.00 H new ATOM 0 HB VAL A 695 15.876 1.821 -2.464 1.00 1.00 H new ATOM 0 HG11 VAL A 695 15.530 -0.627 -2.407 1.00 1.00 H new ATOM 0 HG12 VAL A 695 17.260 -0.230 -2.537 1.00 1.00 H new ATOM 0 HG13 VAL A 695 16.580 -0.744 -0.975 1.00 1.00 H new ATOM 0 HG21 VAL A 695 13.992 0.892 -1.147 1.00 1.00 H new ATOM 0 HG22 VAL A 695 15.048 0.775 0.281 1.00 1.00 H new ATOM 0 HG23 VAL A 695 14.631 2.370 -0.389 1.00 1.00 H new ATOM 166 N VAL A 696 18.735 2.452 -2.656 1.00 1.00 N ATOM 167 CA VAL A 696 19.908 2.317 -3.511 1.00 1.00 C ATOM 168 C VAL A 696 21.195 2.513 -2.715 1.00 1.00 C ATOM 169 O VAL A 696 22.148 1.747 -2.852 1.00 1.00 O ATOM 170 CB VAL A 696 19.849 3.357 -4.628 1.00 1.00 C ATOM 171 CG1 VAL A 696 21.177 3.370 -5.384 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.718 3.006 -5.595 1.00 1.00 C ATOM 0 H VAL A 696 18.105 3.211 -2.914 1.00 1.00 H new ATOM 0 HA VAL A 696 19.908 1.311 -3.931 1.00 1.00 H new ATOM 0 HB VAL A 696 19.666 4.341 -4.196 1.00 1.00 H new ATOM 0 HG11 VAL A 696 21.135 4.112 -6.181 1.00 1.00 H new ATOM 0 HG12 VAL A 696 21.985 3.621 -4.697 1.00 1.00 H new ATOM 0 HG13 VAL A 696 21.360 2.385 -5.814 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.677 3.749 -6.392 1.00 1.00 H new ATOM 0 HG22 VAL A 696 18.900 2.021 -6.026 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.770 2.997 -5.058 1.00 1.00 H new ATOM 182 N LEU A 697 21.220 3.564 -1.905 1.00 1.00 N ATOM 183 CA LEU A 697 22.412 3.866 -1.118 1.00 1.00 C ATOM 184 C LEU A 697 22.719 2.742 -0.131 1.00 1.00 C ATOM 185 O LEU A 697 23.876 2.362 0.047 1.00 1.00 O ATOM 186 CB LEU A 697 22.214 5.177 -0.358 1.00 1.00 C ATOM 187 CG LEU A 697 22.135 6.341 -1.354 1.00 1.00 C ATOM 188 CD1 LEU A 697 21.714 7.614 -0.619 1.00 1.00 C ATOM 189 CD2 LEU A 697 23.496 6.575 -2.023 1.00 1.00 C ATOM 0 H LEU A 697 20.443 4.213 -1.776 1.00 1.00 H new ATOM 0 HA LEU A 697 23.255 3.962 -1.802 1.00 1.00 H new ATOM 0 HB2 LEU A 697 21.301 5.131 0.236 1.00 1.00 H new ATOM 0 HB3 LEU A 697 23.039 5.335 0.337 1.00 1.00 H new ATOM 0 HG LEU A 697 21.402 6.091 -2.121 1.00 1.00 H new ATOM 0 HD11 LEU A 697 21.658 8.441 -1.327 1.00 1.00 H new ATOM 0 HD12 LEU A 697 20.737 7.463 -0.160 1.00 1.00 H new ATOM 0 HD13 LEU A 697 22.446 7.847 0.154 1.00 1.00 H new ATOM 0 HD21 LEU A 697 23.418 7.405 -2.726 1.00 1.00 H new ATOM 0 HD22 LEU A 697 24.239 6.812 -1.262 1.00 1.00 H new ATOM 0 HD23 LEU A 697 23.798 5.674 -2.557 1.00 1.00 H new ATOM 201 N LEU A 698 21.680 2.214 0.509 1.00 1.00 N ATOM 202 CA LEU A 698 21.853 1.132 1.478 1.00 1.00 C ATOM 203 C LEU A 698 22.420 -0.119 0.809 1.00 1.00 C ATOM 204 O LEU A 698 23.277 -0.799 1.373 1.00 1.00 O ATOM 205 CB LEU A 698 20.521 0.804 2.170 1.00 1.00 C ATOM 206 CG LEU A 698 20.355 1.635 3.459 1.00 1.00 C ATOM 207 CD1 LEU A 698 21.259 1.075 4.563 1.00 1.00 C ATOM 208 CD2 LEU A 698 20.717 3.105 3.215 1.00 1.00 C ATOM 0 H LEU A 698 20.714 2.514 0.377 1.00 1.00 H new ATOM 0 HA LEU A 698 22.564 1.471 2.231 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.693 1.008 1.491 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.482 -0.259 2.409 1.00 1.00 H new ATOM 0 HG LEU A 698 19.311 1.574 3.766 1.00 1.00 H new ATOM 0 HD11 LEU A 698 21.136 1.667 5.470 1.00 1.00 H new ATOM 0 HD12 LEU A 698 20.986 0.039 4.766 1.00 1.00 H new ATOM 0 HD13 LEU A 698 22.299 1.119 4.239 1.00 1.00 H new ATOM 0 HD21 LEU A 698 20.591 3.669 4.139 1.00 1.00 H new ATOM 0 HD22 LEU A 698 21.754 3.175 2.885 1.00 1.00 H new ATOM 0 HD23 LEU A 698 20.064 3.518 2.447 1.00 1.00 H new ATOM 220 N SER A 699 21.953 -0.399 -0.405 1.00 1.00 N ATOM 221 CA SER A 699 22.431 -1.550 -1.162 1.00 1.00 C ATOM 222 C SER A 699 23.888 -1.348 -1.534 1.00 1.00 C ATOM 223 O SER A 699 24.687 -2.285 -1.509 1.00 1.00 O ATOM 224 CB SER A 699 21.600 -1.725 -2.431 1.00 1.00 C ATOM 225 OG SER A 699 20.237 -1.906 -2.078 1.00 1.00 O ATOM 0 H SER A 699 21.244 0.156 -0.885 1.00 1.00 H new ATOM 0 HA SER A 699 22.333 -2.444 -0.546 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.708 -0.851 -3.074 1.00 1.00 H new ATOM 0 HB3 SER A 699 21.958 -2.584 -2.998 1.00 1.00 H new ATOM 0 HG SER A 699 19.856 -1.049 -1.794 1.00 1.00 H new ATOM 231 N VAL A 700 24.226 -0.110 -1.870 1.00 1.00 N ATOM 232 CA VAL A 700 25.592 0.215 -2.235 1.00 1.00 C ATOM 233 C VAL A 700 26.514 -0.017 -1.049 1.00 1.00 C ATOM 234 O VAL A 700 27.594 -0.591 -1.194 1.00 1.00 O ATOM 235 CB VAL A 700 25.682 1.676 -2.675 1.00 1.00 C ATOM 236 CG1 VAL A 700 27.150 2.062 -2.853 1.00 1.00 C ATOM 237 CG2 VAL A 700 24.948 1.852 -4.006 1.00 1.00 C ATOM 0 H VAL A 700 23.577 0.677 -1.896 1.00 1.00 H new ATOM 0 HA VAL A 700 25.898 -0.428 -3.060 1.00 1.00 H new ATOM 0 HB VAL A 700 25.225 2.313 -1.918 1.00 1.00 H new ATOM 0 HG11 VAL A 700 27.217 3.104 -3.167 1.00 1.00 H new ATOM 0 HG12 VAL A 700 27.677 1.933 -1.908 1.00 1.00 H new ATOM 0 HG13 VAL A 700 27.604 1.425 -3.612 1.00 1.00 H new ATOM 0 HG21 VAL A 700 25.011 2.893 -4.321 1.00 1.00 H new ATOM 0 HG22 VAL A 700 25.408 1.215 -4.762 1.00 1.00 H new ATOM 0 HG23 VAL A 700 23.901 1.573 -3.884 1.00 1.00 H new ATOM 247 N MET A 701 26.089 0.459 0.121 1.00 1.00 N ATOM 248 CA MET A 701 26.889 0.332 1.331 1.00 1.00 C ATOM 249 C MET A 701 27.128 -1.130 1.696 1.00 1.00 C ATOM 250 O MET A 701 28.230 -1.497 2.094 1.00 1.00 O ATOM 251 CB MET A 701 26.185 1.040 2.493 1.00 1.00 C ATOM 252 CG MET A 701 26.323 2.556 2.327 1.00 1.00 C ATOM 253 SD MET A 701 25.401 3.397 3.639 1.00 1.00 S ATOM 254 CE MET A 701 26.412 2.840 5.034 1.00 1.00 C ATOM 0 H MET A 701 25.196 0.935 0.253 1.00 1.00 H new ATOM 0 HA MET A 701 27.857 0.796 1.142 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.132 0.761 2.518 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.621 0.726 3.442 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.374 2.842 2.366 1.00 1.00 H new ATOM 0 HG3 MET A 701 25.946 2.861 1.351 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.337 3.560 5.849 1.00 1.00 H new ATOM 0 HE2 MET A 701 26.057 1.868 5.375 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.452 2.756 4.719 1.00 1.00 H new ATOM 264 N GLY A 702 26.101 -1.962 1.569 1.00 1.00 N ATOM 265 CA GLY A 702 26.243 -3.374 1.904 1.00 1.00 C ATOM 266 C GLY A 702 27.143 -4.105 0.907 1.00 1.00 C ATOM 267 O GLY A 702 27.998 -4.900 1.296 1.00 1.00 O ATOM 0 H GLY A 702 25.174 -1.689 1.242 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.658 -3.470 2.907 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.260 -3.845 1.920 1.00 1.00 H new ATOM 271 N ALA A 703 26.916 -3.854 -0.378 1.00 1.00 N ATOM 272 CA ALA A 703 27.675 -4.516 -1.437 1.00 1.00 C ATOM 273 C ALA A 703 29.183 -4.277 -1.333 1.00 1.00 C ATOM 274 O ALA A 703 29.971 -5.220 -1.400 1.00 1.00 O ATOM 275 CB ALA A 703 27.178 -4.020 -2.798 1.00 1.00 C ATOM 0 H ALA A 703 26.212 -3.196 -0.713 1.00 1.00 H new ATOM 0 HA ALA A 703 27.512 -5.588 -1.327 1.00 1.00 H new ATOM 0 HB1 ALA A 703 27.741 -4.511 -3.592 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.119 -4.254 -2.906 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.320 -2.941 -2.866 1.00 1.00 H new ATOM 281 N ILE A 704 29.580 -3.014 -1.176 1.00 1.00 N ATOM 282 CA ILE A 704 31.002 -2.693 -1.080 1.00 1.00 C ATOM 283 C ILE A 704 31.598 -3.285 0.195 1.00 1.00 C ATOM 284 O ILE A 704 32.714 -3.804 0.189 1.00 1.00 O ATOM 285 CB ILE A 704 31.226 -1.177 -1.116 1.00 1.00 C ATOM 286 CG1 ILE A 704 32.724 -0.888 -1.300 1.00 1.00 C ATOM 287 CG2 ILE A 704 30.745 -0.546 0.190 1.00 1.00 C ATOM 288 CD1 ILE A 704 32.932 0.593 -1.618 1.00 1.00 C ATOM 0 H ILE A 704 28.952 -2.213 -1.114 1.00 1.00 H new ATOM 0 HA ILE A 704 31.506 -3.133 -1.940 1.00 1.00 H new ATOM 0 HB ILE A 704 30.663 -0.752 -1.947 1.00 1.00 H new ATOM 0 HG12 ILE A 704 33.269 -1.155 -0.394 1.00 1.00 H new ATOM 0 HG13 ILE A 704 33.126 -1.502 -2.106 1.00 1.00 H new ATOM 0 HG21 ILE A 704 30.908 0.531 0.155 1.00 1.00 H new ATOM 0 HG22 ILE A 704 29.682 -0.748 0.322 1.00 1.00 H new ATOM 0 HG23 ILE A 704 31.301 -0.970 1.026 1.00 1.00 H new ATOM 0 HD11 ILE A 704 33.996 0.791 -1.747 1.00 1.00 H new ATOM 0 HD12 ILE A 704 32.402 0.846 -2.536 1.00 1.00 H new ATOM 0 HD13 ILE A 704 32.547 1.199 -0.798 1.00 1.00 H new ATOM 300 N LEU A 705 30.856 -3.200 1.290 1.00 1.00 N ATOM 301 CA LEU A 705 31.336 -3.730 2.557 1.00 1.00 C ATOM 302 C LEU A 705 31.472 -5.245 2.511 1.00 1.00 C ATOM 303 O LEU A 705 32.423 -5.799 3.055 1.00 1.00 O ATOM 304 CB LEU A 705 30.396 -3.327 3.700 1.00 1.00 C ATOM 305 CG LEU A 705 30.514 -1.819 3.957 1.00 1.00 C ATOM 306 CD1 LEU A 705 29.443 -1.382 4.958 1.00 1.00 C ATOM 307 CD2 LEU A 705 31.899 -1.480 4.521 1.00 1.00 C ATOM 0 H LEU A 705 29.930 -2.774 1.327 1.00 1.00 H new ATOM 0 HA LEU A 705 32.323 -3.304 2.737 1.00 1.00 H new ATOM 0 HB2 LEU A 705 29.368 -3.583 3.446 1.00 1.00 H new ATOM 0 HB3 LEU A 705 30.648 -3.881 4.604 1.00 1.00 H new ATOM 0 HG LEU A 705 30.375 -1.293 3.013 1.00 1.00 H new ATOM 0 HD11 LEU A 705 29.529 -0.311 5.139 1.00 1.00 H new ATOM 0 HD12 LEU A 705 28.455 -1.603 4.554 1.00 1.00 H new ATOM 0 HD13 LEU A 705 29.580 -1.920 5.896 1.00 1.00 H new ATOM 0 HD21 LEU A 705 31.967 -0.407 4.698 1.00 1.00 H new ATOM 0 HD22 LEU A 705 32.050 -2.013 5.460 1.00 1.00 H new ATOM 0 HD23 LEU A 705 32.666 -1.779 3.807 1.00 1.00 H new ATOM 319 N LEU A 706 30.519 -5.924 1.886 1.00 1.00 N ATOM 320 CA LEU A 706 30.555 -7.380 1.828 1.00 1.00 C ATOM 321 C LEU A 706 31.781 -7.909 1.091 1.00 1.00 C ATOM 322 O LEU A 706 32.422 -8.857 1.544 1.00 1.00 O ATOM 323 CB LEU A 706 29.292 -7.902 1.144 1.00 1.00 C ATOM 324 CG LEU A 706 28.123 -7.879 2.132 1.00 1.00 C ATOM 325 CD1 LEU A 706 26.824 -8.152 1.374 1.00 1.00 C ATOM 326 CD2 LEU A 706 28.316 -8.953 3.215 1.00 1.00 C ATOM 0 H LEU A 706 29.720 -5.497 1.417 1.00 1.00 H new ATOM 0 HA LEU A 706 30.610 -7.738 2.856 1.00 1.00 H new ATOM 0 HB2 LEU A 706 29.058 -7.288 0.274 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.456 -8.917 0.783 1.00 1.00 H new ATOM 0 HG LEU A 706 28.080 -6.901 2.611 1.00 1.00 H new ATOM 0 HD11 LEU A 706 25.986 -8.137 2.071 1.00 1.00 H new ATOM 0 HD12 LEU A 706 26.678 -7.384 0.614 1.00 1.00 H new ATOM 0 HD13 LEU A 706 26.881 -9.130 0.895 1.00 1.00 H new ATOM 0 HD21 LEU A 706 27.477 -8.924 3.910 1.00 1.00 H new ATOM 0 HD22 LEU A 706 28.366 -9.936 2.747 1.00 1.00 H new ATOM 0 HD23 LEU A 706 29.242 -8.761 3.757 1.00 1.00 H new ATOM 338 N ILE A 707 32.116 -7.288 -0.038 1.00 1.00 N ATOM 339 CA ILE A 707 33.286 -7.721 -0.794 1.00 1.00 C ATOM 340 C ILE A 707 34.552 -7.446 0.008 1.00 1.00 C ATOM 341 O ILE A 707 35.516 -8.208 -0.054 1.00 1.00 O ATOM 342 CB ILE A 707 33.350 -7.031 -2.163 1.00 1.00 C ATOM 343 CG1 ILE A 707 34.642 -7.427 -2.890 1.00 1.00 C ATOM 344 CG2 ILE A 707 33.312 -5.521 -1.983 1.00 1.00 C ATOM 345 CD1 ILE A 707 34.556 -6.998 -4.359 1.00 1.00 C ATOM 0 H ILE A 707 31.607 -6.502 -0.441 1.00 1.00 H new ATOM 0 HA ILE A 707 33.204 -8.794 -0.970 1.00 1.00 H new ATOM 0 HB ILE A 707 32.492 -7.346 -2.757 1.00 1.00 H new ATOM 0 HG12 ILE A 707 35.500 -6.954 -2.412 1.00 1.00 H new ATOM 0 HG13 ILE A 707 34.793 -8.504 -2.823 1.00 1.00 H new ATOM 0 HG21 ILE A 707 33.358 -5.037 -2.959 1.00 1.00 H new ATOM 0 HG22 ILE A 707 32.387 -5.238 -1.480 1.00 1.00 H new ATOM 0 HG23 ILE A 707 34.164 -5.205 -1.381 1.00 1.00 H new ATOM 0 HD11 ILE A 707 35.474 -7.280 -4.875 1.00 1.00 H new ATOM 0 HD12 ILE A 707 33.708 -7.491 -4.833 1.00 1.00 H new ATOM 0 HD13 ILE A 707 34.425 -5.917 -4.415 1.00 1.00 H new ATOM 357 N GLY A 708 34.547 -6.354 0.770 1.00 1.00 N ATOM 358 CA GLY A 708 35.705 -6.003 1.583 1.00 1.00 C ATOM 359 C GLY A 708 36.033 -7.133 2.550 1.00 1.00 C ATOM 360 O GLY A 708 37.195 -7.492 2.730 1.00 1.00 O ATOM 0 H GLY A 708 33.763 -5.705 0.840 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.563 -5.805 0.940 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.504 -5.087 2.138 1.00 1.00 H new ATOM 364 N LEU A 709 35.000 -7.698 3.165 1.00 1.00 N ATOM 365 CA LEU A 709 35.215 -8.792 4.103 1.00 1.00 C ATOM 366 C LEU A 709 35.815 -9.988 3.377 1.00 1.00 C ATOM 367 O LEU A 709 36.738 -10.628 3.876 1.00 1.00 O ATOM 368 CB LEU A 709 33.899 -9.209 4.769 1.00 1.00 C ATOM 369 CG LEU A 709 33.630 -8.358 6.015 1.00 1.00 C ATOM 370 CD1 LEU A 709 33.298 -6.923 5.612 1.00 1.00 C ATOM 371 CD2 LEU A 709 32.443 -8.954 6.770 1.00 1.00 C ATOM 0 H LEU A 709 34.026 -7.424 3.035 1.00 1.00 H new ATOM 0 HA LEU A 709 35.903 -8.447 4.875 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.077 -9.098 4.062 1.00 1.00 H new ATOM 0 HB3 LEU A 709 33.943 -10.263 5.044 1.00 1.00 H new ATOM 0 HG LEU A 709 34.518 -8.352 6.647 1.00 1.00 H new ATOM 0 HD11 LEU A 709 33.109 -6.329 6.506 1.00 1.00 H new ATOM 0 HD12 LEU A 709 34.137 -6.496 5.063 1.00 1.00 H new ATOM 0 HD13 LEU A 709 32.411 -6.919 4.979 1.00 1.00 H new ATOM 0 HD21 LEU A 709 32.241 -8.357 7.660 1.00 1.00 H new ATOM 0 HD22 LEU A 709 31.564 -8.953 6.125 1.00 1.00 H new ATOM 0 HD23 LEU A 709 32.676 -9.977 7.065 1.00 1.00 H new ATOM 383 N ALA A 710 35.293 -10.280 2.191 1.00 1.00 N ATOM 384 CA ALA A 710 35.803 -11.400 1.409 1.00 1.00 C ATOM 385 C ALA A 710 37.271 -11.168 1.069 1.00 1.00 C ATOM 386 O ALA A 710 38.072 -12.103 1.058 1.00 1.00 O ATOM 387 CB ALA A 710 34.996 -11.553 0.116 1.00 1.00 C ATOM 0 H ALA A 710 34.528 -9.765 1.755 1.00 1.00 H new ATOM 0 HA ALA A 710 35.707 -12.312 1.999 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.386 -12.392 -0.459 1.00 1.00 H new ATOM 0 HB2 ALA A 710 33.949 -11.735 0.360 1.00 1.00 H new ATOM 0 HB3 ALA A 710 35.077 -10.640 -0.474 1.00 1.00 H new ATOM 393 N ALA A 711 37.613 -9.912 0.792 1.00 1.00 N ATOM 394 CA ALA A 711 38.990 -9.567 0.450 1.00 1.00 C ATOM 395 C ALA A 711 39.935 -9.834 1.621 1.00 1.00 C ATOM 396 O ALA A 711 40.997 -10.436 1.449 1.00 1.00 O ATOM 397 CB ALA A 711 39.068 -8.095 0.048 1.00 1.00 C ATOM 0 H ALA A 711 36.964 -9.125 0.797 1.00 1.00 H new ATOM 0 HA ALA A 711 39.300 -10.194 -0.386 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.097 -7.841 -0.206 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.427 -7.919 -0.816 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.736 -7.473 0.879 1.00 1.00 H new ATOM 403 N LEU A 712 39.553 -9.375 2.809 1.00 1.00 N ATOM 404 CA LEU A 712 40.382 -9.563 4.001 1.00 1.00 C ATOM 405 C LEU A 712 40.551 -11.040 4.341 1.00 1.00 C ATOM 406 O LEU A 712 41.612 -11.463 4.797 1.00 1.00 O ATOM 407 CB LEU A 712 39.768 -8.838 5.207 1.00 1.00 C ATOM 408 CG LEU A 712 40.302 -7.402 5.313 1.00 1.00 C ATOM 409 CD1 LEU A 712 39.853 -6.574 4.109 1.00 1.00 C ATOM 410 CD2 LEU A 712 39.763 -6.757 6.594 1.00 1.00 C ATOM 0 H LEU A 712 38.681 -8.873 2.974 1.00 1.00 H new ATOM 0 HA LEU A 712 41.362 -9.141 3.778 1.00 1.00 H new ATOM 0 HB2 LEU A 712 38.682 -8.820 5.112 1.00 1.00 H new ATOM 0 HB3 LEU A 712 39.999 -9.385 6.121 1.00 1.00 H new ATOM 0 HG LEU A 712 41.391 -7.432 5.336 1.00 1.00 H new ATOM 0 HD11 LEU A 712 40.240 -5.559 4.200 1.00 1.00 H new ATOM 0 HD12 LEU A 712 40.234 -7.027 3.194 1.00 1.00 H new ATOM 0 HD13 LEU A 712 38.764 -6.545 4.073 1.00 1.00 H new ATOM 0 HD21 LEU A 712 40.139 -5.737 6.674 1.00 1.00 H new ATOM 0 HD22 LEU A 712 38.674 -6.740 6.562 1.00 1.00 H new ATOM 0 HD23 LEU A 712 40.092 -7.334 7.458 1.00 1.00 H new ATOM 422 N LEU A 713 39.481 -11.805 4.162 1.00 1.00 N ATOM 423 CA LEU A 713 39.486 -13.225 4.494 1.00 1.00 C ATOM 424 C LEU A 713 40.499 -14.015 3.663 1.00 1.00 C ATOM 425 O LEU A 713 41.247 -14.840 4.187 1.00 1.00 O ATOM 426 CB LEU A 713 38.082 -13.785 4.262 1.00 1.00 C ATOM 427 CG LEU A 713 37.158 -13.315 5.393 1.00 1.00 C ATOM 428 CD1 LEU A 713 35.703 -13.625 5.030 1.00 1.00 C ATOM 429 CD2 LEU A 713 37.517 -14.019 6.711 1.00 1.00 C ATOM 0 H LEU A 713 38.596 -11.464 3.787 1.00 1.00 H new ATOM 0 HA LEU A 713 39.780 -13.328 5.539 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.698 -13.449 3.299 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.113 -14.874 4.230 1.00 1.00 H new ATOM 0 HG LEU A 713 37.285 -12.240 5.523 1.00 1.00 H new ATOM 0 HD11 LEU A 713 35.048 -13.290 5.835 1.00 1.00 H new ATOM 0 HD12 LEU A 713 35.440 -13.106 4.108 1.00 1.00 H new ATOM 0 HD13 LEU A 713 35.584 -14.699 4.888 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.851 -13.673 7.501 1.00 1.00 H new ATOM 0 HD22 LEU A 713 37.407 -15.097 6.590 1.00 1.00 H new ATOM 0 HD23 LEU A 713 38.548 -13.787 6.978 1.00 1.00 H new ATOM 441 N ILE A 714 40.528 -13.736 2.364 1.00 1.00 N ATOM 442 CA ILE A 714 41.467 -14.394 1.460 1.00 1.00 C ATOM 443 C ILE A 714 42.898 -13.995 1.826 1.00 1.00 C ATOM 444 O ILE A 714 43.801 -14.829 1.849 1.00 1.00 O ATOM 445 CB ILE A 714 41.138 -13.996 0.013 1.00 1.00 C ATOM 446 CG1 ILE A 714 39.778 -14.601 -0.401 1.00 1.00 C ATOM 447 CG2 ILE A 714 42.242 -14.464 -0.944 1.00 1.00 C ATOM 448 CD1 ILE A 714 39.803 -16.140 -0.328 1.00 1.00 C ATOM 0 H ILE A 714 39.913 -13.059 1.913 1.00 1.00 H new ATOM 0 HA ILE A 714 41.380 -15.477 1.553 1.00 1.00 H new ATOM 0 HB ILE A 714 41.077 -12.909 -0.044 1.00 1.00 H new ATOM 0 HG12 ILE A 714 38.993 -14.217 0.251 1.00 1.00 H new ATOM 0 HG13 ILE A 714 39.532 -14.287 -1.415 1.00 1.00 H new ATOM 0 HG21 ILE A 714 41.988 -14.172 -1.963 1.00 1.00 H new ATOM 0 HG22 ILE A 714 43.189 -14.005 -0.660 1.00 1.00 H new ATOM 0 HG23 ILE A 714 42.334 -15.549 -0.890 1.00 1.00 H new ATOM 0 HD11 ILE A 714 38.831 -16.534 -0.625 1.00 1.00 H new ATOM 0 HD12 ILE A 714 40.571 -16.524 -0.999 1.00 1.00 H new ATOM 0 HD13 ILE A 714 40.024 -16.452 0.693 1.00 1.00 H new ATOM 460 N TRP A 715 43.089 -12.711 2.109 1.00 1.00 N ATOM 461 CA TRP A 715 44.427 -12.251 2.477 1.00 1.00 C ATOM 462 C TRP A 715 44.930 -13.069 3.672 1.00 1.00 C ATOM 463 O TRP A 715 46.041 -13.601 3.660 1.00 1.00 O ATOM 464 CB TRP A 715 44.381 -10.763 2.843 1.00 1.00 C ATOM 465 CG TRP A 715 45.743 -10.244 3.218 1.00 1.00 C ATOM 466 CD1 TRP A 715 46.931 -10.883 3.038 1.00 1.00 C ATOM 467 CD2 TRP A 715 46.064 -8.970 3.847 1.00 1.00 C ATOM 468 NE1 TRP A 715 47.948 -10.075 3.515 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.466 -8.888 4.024 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.276 -7.889 4.277 1.00 1.00 C ATOM 471 CZ2 TRP A 715 48.065 -7.768 4.606 1.00 1.00 C ATOM 472 CZ3 TRP A 715 45.876 -6.762 4.863 1.00 1.00 C ATOM 473 CH2 TRP A 715 47.267 -6.702 5.028 1.00 1.00 C ATOM 0 H TRP A 715 42.366 -11.992 2.093 1.00 1.00 H new ATOM 0 HA TRP A 715 45.105 -12.386 1.634 1.00 1.00 H new ATOM 0 HB2 TRP A 715 43.993 -10.192 2.000 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.692 -10.613 3.674 1.00 1.00 H new ATOM 0 HD1 TRP A 715 47.059 -11.860 2.596 1.00 1.00 H new ATOM 0 HE1 TRP A 715 48.936 -10.327 3.493 1.00 1.00 H new ATOM 0 HE3 TRP A 715 44.203 -7.925 4.156 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 49.137 -7.727 4.729 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 45.261 -5.936 5.189 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.721 -5.833 5.481 1.00 1.00 H new ATOM 484 N LYS A 716 44.094 -13.163 4.701 1.00 1.00 N ATOM 485 CA LYS A 716 44.445 -13.909 5.908 1.00 1.00 C ATOM 486 C LYS A 716 44.690 -15.384 5.570 1.00 1.00 C ATOM 487 O LYS A 716 45.590 -16.015 6.128 1.00 1.00 O ATOM 488 CB LYS A 716 43.294 -13.792 6.923 1.00 1.00 C ATOM 489 CG LYS A 716 43.616 -14.442 8.289 1.00 1.00 C ATOM 490 CD LYS A 716 44.446 -13.541 9.249 1.00 1.00 C ATOM 491 CE LYS A 716 45.906 -13.352 8.830 1.00 1.00 C ATOM 492 NZ LYS A 716 46.668 -12.811 9.993 1.00 1.00 N ATOM 0 H LYS A 716 43.169 -12.733 4.725 1.00 1.00 H new ATOM 0 HA LYS A 716 45.358 -13.494 6.335 1.00 1.00 H new ATOM 0 HB2 LYS A 716 43.059 -12.739 7.076 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.402 -14.260 6.507 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.680 -14.710 8.780 1.00 1.00 H new ATOM 0 HG3 LYS A 716 44.163 -15.369 8.117 1.00 1.00 H new ATOM 0 HD2 LYS A 716 43.969 -12.563 9.314 1.00 1.00 H new ATOM 0 HD3 LYS A 716 44.420 -13.975 10.249 1.00 1.00 H new ATOM 0 HE2 LYS A 716 46.333 -14.301 8.507 1.00 1.00 H new ATOM 0 HE3 LYS A 716 45.971 -12.668 7.984 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.664 -12.677 9.724 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 46.261 -11.898 10.280 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.611 -13.480 10.787 1.00 1.00 H new ATOM 506 N LEU A 717 43.886 -15.919 4.653 1.00 1.00 N ATOM 507 CA LEU A 717 44.019 -17.316 4.238 1.00 1.00 C ATOM 508 C LEU A 717 45.412 -17.530 3.653 1.00 1.00 C ATOM 509 O LEU A 717 46.045 -18.556 3.911 1.00 1.00 O ATOM 510 CB LEU A 717 42.950 -17.640 3.184 1.00 1.00 C ATOM 511 CG LEU A 717 42.945 -19.140 2.851 1.00 1.00 C ATOM 512 CD1 LEU A 717 42.511 -19.958 4.072 1.00 1.00 C ATOM 513 CD2 LEU A 717 41.956 -19.391 1.709 1.00 1.00 C ATOM 0 H LEU A 717 43.138 -15.409 4.184 1.00 1.00 H new ATOM 0 HA LEU A 717 43.882 -17.974 5.096 1.00 1.00 H new ATOM 0 HB2 LEU A 717 41.968 -17.342 3.552 1.00 1.00 H new ATOM 0 HB3 LEU A 717 43.139 -17.063 2.279 1.00 1.00 H new ATOM 0 HG LEU A 717 43.951 -19.443 2.560 1.00 1.00 H new ATOM 0 HD11 LEU A 717 42.513 -21.018 3.819 1.00 1.00 H new ATOM 0 HD12 LEU A 717 43.204 -19.780 4.894 1.00 1.00 H new ATOM 0 HD13 LEU A 717 41.507 -19.658 4.372 1.00 1.00 H new ATOM 0 HD21 LEU A 717 41.945 -20.453 1.464 1.00 1.00 H new ATOM 0 HD22 LEU A 717 40.958 -19.079 2.017 1.00 1.00 H new ATOM 0 HD23 LEU A 717 42.261 -18.820 0.832 1.00 1.00 H new ATOM 525 N LEU A 718 45.885 -16.584 2.847 1.00 1.00 N ATOM 526 CA LEU A 718 47.197 -16.736 2.230 1.00 1.00 C ATOM 527 C LEU A 718 48.292 -16.827 3.287 1.00 1.00 C ATOM 528 O LEU A 718 49.137 -17.721 3.247 1.00 1.00 O ATOM 529 CB LEU A 718 47.491 -15.548 1.310 1.00 1.00 C ATOM 530 CG LEU A 718 46.541 -15.561 0.108 1.00 1.00 C ATOM 531 CD1 LEU A 718 46.728 -14.271 -0.693 1.00 1.00 C ATOM 532 CD2 LEU A 718 46.836 -16.769 -0.795 1.00 1.00 C ATOM 0 H LEU A 718 45.392 -15.723 2.610 1.00 1.00 H new ATOM 0 HA LEU A 718 47.185 -17.659 1.650 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.378 -14.615 1.862 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.524 -15.592 0.966 1.00 1.00 H new ATOM 0 HG LEU A 718 45.514 -15.633 0.467 1.00 1.00 H new ATOM 0 HD11 LEU A 718 46.055 -14.274 -1.550 1.00 1.00 H new ATOM 0 HD12 LEU A 718 46.504 -13.413 -0.059 1.00 1.00 H new ATOM 0 HD13 LEU A 718 47.759 -14.205 -1.042 1.00 1.00 H new ATOM 0 HD21 LEU A 718 46.153 -16.764 -1.644 1.00 1.00 H new ATOM 0 HD22 LEU A 718 47.863 -16.712 -1.155 1.00 1.00 H new ATOM 0 HD23 LEU A 718 46.702 -17.689 -0.227 1.00 1.00 H new ATOM 544 N ILE A 719 48.284 -15.873 4.213 1.00 1.00 N ATOM 545 CA ILE A 719 49.285 -15.802 5.269 1.00 1.00 C ATOM 546 C ILE A 719 49.190 -16.962 6.259 1.00 1.00 C ATOM 547 O ILE A 719 50.212 -17.541 6.625 1.00 1.00 O ATOM 548 CB ILE A 719 49.115 -14.488 6.035 1.00 1.00 C ATOM 549 CG1 ILE A 719 49.460 -13.308 5.120 1.00 1.00 C ATOM 550 CG2 ILE A 719 50.052 -14.481 7.243 1.00 1.00 C ATOM 551 CD1 ILE A 719 48.988 -12.003 5.768 1.00 1.00 C ATOM 0 H ILE A 719 47.586 -15.131 4.252 1.00 1.00 H new ATOM 0 HA ILE A 719 50.262 -15.860 4.788 1.00 1.00 H new ATOM 0 HB ILE A 719 48.082 -14.397 6.370 1.00 1.00 H new ATOM 0 HG12 ILE A 719 50.535 -13.272 4.946 1.00 1.00 H new ATOM 0 HG13 ILE A 719 48.984 -13.437 4.148 1.00 1.00 H new ATOM 0 HG21 ILE A 719 49.933 -13.546 7.790 1.00 1.00 H new ATOM 0 HG22 ILE A 719 49.808 -15.318 7.897 1.00 1.00 H new ATOM 0 HG23 ILE A 719 51.084 -14.574 6.904 1.00 1.00 H new ATOM 0 HD11 ILE A 719 49.234 -11.164 5.117 1.00 1.00 H new ATOM 0 HD12 ILE A 719 47.909 -12.041 5.919 1.00 1.00 H new ATOM 0 HD13 ILE A 719 49.485 -11.874 6.730 1.00 1.00 H new