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 94:sc= 1.28 USER MOD Single : A 701 MET CE :methyl 158:sc= -0.0815 (180deg=-0.776) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 131 N LEU A 694 17.022 5.873 -0.754 1.00 1.00 N ATOM 132 CA LEU A 694 17.706 5.243 0.369 1.00 1.00 C ATOM 133 C LEU A 694 18.054 3.794 0.067 1.00 1.00 C ATOM 134 O LEU A 694 19.134 3.325 0.424 1.00 1.00 O ATOM 135 CB LEU A 694 16.820 5.294 1.617 1.00 1.00 C ATOM 136 CG LEU A 694 16.625 6.749 2.060 1.00 1.00 C ATOM 137 CD1 LEU A 694 15.624 6.793 3.218 1.00 1.00 C ATOM 138 CD2 LEU A 694 17.956 7.355 2.523 1.00 1.00 C ATOM 0 HA LEU A 694 18.631 5.794 0.543 1.00 1.00 H new ATOM 0 HB2 LEU A 694 15.853 4.836 1.406 1.00 1.00 H new ATOM 0 HB3 LEU A 694 17.277 4.718 2.422 1.00 1.00 H new ATOM 0 HG LEU A 694 16.250 7.326 1.215 1.00 1.00 H new ATOM 0 HD11 LEU A 694 15.482 7.826 3.537 1.00 1.00 H new ATOM 0 HD12 LEU A 694 14.670 6.380 2.890 1.00 1.00 H new ATOM 0 HD13 LEU A 694 16.007 6.205 4.052 1.00 1.00 H new ATOM 0 HD21 LEU A 694 17.797 8.388 2.833 1.00 1.00 H new ATOM 0 HD22 LEU A 694 18.345 6.779 3.363 1.00 1.00 H new ATOM 0 HD23 LEU A 694 18.673 7.329 1.702 1.00 1.00 H new ATOM 150 N VAL A 695 17.139 3.077 -0.580 1.00 1.00 N ATOM 151 CA VAL A 695 17.363 1.677 -0.902 1.00 1.00 C ATOM 152 C VAL A 695 18.589 1.503 -1.788 1.00 1.00 C ATOM 153 O VAL A 695 19.399 0.602 -1.570 1.00 1.00 O ATOM 154 CB VAL A 695 16.139 1.099 -1.619 1.00 1.00 C ATOM 155 CG1 VAL A 695 16.468 -0.304 -2.126 1.00 1.00 C ATOM 156 CG2 VAL A 695 14.958 1.024 -0.649 1.00 1.00 C ATOM 0 H VAL A 695 16.239 3.444 -0.889 1.00 1.00 H new ATOM 0 HA VAL A 695 17.530 1.144 0.034 1.00 1.00 H new ATOM 0 HB VAL A 695 15.875 1.742 -2.458 1.00 1.00 H new ATOM 0 HG11 VAL A 695 15.599 -0.719 -2.637 1.00 1.00 H new ATOM 0 HG12 VAL A 695 17.307 -0.253 -2.820 1.00 1.00 H new ATOM 0 HG13 VAL A 695 16.733 -0.943 -1.283 1.00 1.00 H new ATOM 0 HG21 VAL A 695 14.090 0.612 -1.164 1.00 1.00 H new ATOM 0 HG22 VAL A 695 15.219 0.382 0.193 1.00 1.00 H new ATOM 0 HG23 VAL A 695 14.723 2.024 -0.284 1.00 1.00 H new ATOM 166 N VAL A 696 18.723 2.368 -2.786 1.00 1.00 N ATOM 167 CA VAL A 696 19.862 2.280 -3.687 1.00 1.00 C ATOM 168 C VAL A 696 21.164 2.520 -2.939 1.00 1.00 C ATOM 169 O VAL A 696 22.123 1.763 -3.084 1.00 1.00 O ATOM 170 CB VAL A 696 19.727 3.308 -4.808 1.00 1.00 C ATOM 171 CG1 VAL A 696 21.015 3.333 -5.629 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.549 2.930 -5.707 1.00 1.00 C ATOM 0 H VAL A 696 18.070 3.125 -2.989 1.00 1.00 H new ATOM 0 HA VAL A 696 19.879 1.276 -4.112 1.00 1.00 H new ATOM 0 HB VAL A 696 19.551 4.295 -4.381 1.00 1.00 H new ATOM 0 HG11 VAL A 696 20.922 4.066 -6.430 1.00 1.00 H new ATOM 0 HG12 VAL A 696 21.852 3.604 -4.985 1.00 1.00 H new ATOM 0 HG13 VAL A 696 21.192 2.347 -6.058 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.452 3.664 -6.507 1.00 1.00 H new ATOM 0 HG22 VAL A 696 18.722 1.944 -6.138 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.632 2.913 -5.118 1.00 1.00 H new ATOM 182 N LEU A 697 21.190 3.583 -2.140 1.00 1.00 N ATOM 183 CA LEU A 697 22.389 3.911 -1.380 1.00 1.00 C ATOM 184 C LEU A 697 22.711 2.796 -0.386 1.00 1.00 C ATOM 185 O LEU A 697 23.871 2.422 -0.209 1.00 1.00 O ATOM 186 CB LEU A 697 22.188 5.226 -0.620 1.00 1.00 C ATOM 187 CG LEU A 697 22.113 6.404 -1.599 1.00 1.00 C ATOM 188 CD1 LEU A 697 21.749 7.676 -0.830 1.00 1.00 C ATOM 189 CD2 LEU A 697 23.461 6.608 -2.300 1.00 1.00 C ATOM 0 H LEU A 697 20.407 4.222 -2.004 1.00 1.00 H new ATOM 0 HA LEU A 697 23.219 4.019 -2.078 1.00 1.00 H new ATOM 0 HB2 LEU A 697 21.273 5.176 -0.030 1.00 1.00 H new ATOM 0 HB3 LEU A 697 23.010 5.378 0.080 1.00 1.00 H new ATOM 0 HG LEU A 697 21.354 6.188 -2.351 1.00 1.00 H new ATOM 0 HD11 LEU A 697 21.695 8.516 -1.522 1.00 1.00 H new ATOM 0 HD12 LEU A 697 20.783 7.543 -0.344 1.00 1.00 H new ATOM 0 HD13 LEU A 697 22.510 7.876 -0.076 1.00 1.00 H new ATOM 0 HD21 LEU A 697 23.388 7.448 -2.991 1.00 1.00 H new ATOM 0 HD22 LEU A 697 24.230 6.815 -1.556 1.00 1.00 H new ATOM 0 HD23 LEU A 697 23.724 5.706 -2.852 1.00 1.00 H new ATOM 201 N LEU A 698 21.672 2.275 0.263 1.00 1.00 N ATOM 202 CA LEU A 698 21.841 1.205 1.242 1.00 1.00 C ATOM 203 C LEU A 698 22.423 -0.045 0.594 1.00 1.00 C ATOM 204 O LEU A 698 23.293 -0.706 1.161 1.00 1.00 O ATOM 205 CB LEU A 698 20.492 0.856 1.871 1.00 1.00 C ATOM 206 CG LEU A 698 20.143 1.869 2.965 1.00 1.00 C ATOM 207 CD1 LEU A 698 18.677 1.688 3.352 1.00 1.00 C ATOM 208 CD2 LEU A 698 21.028 1.644 4.203 1.00 1.00 C ATOM 0 H LEU A 698 20.707 2.576 0.129 1.00 1.00 H new ATOM 0 HA LEU A 698 22.531 1.559 2.008 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.715 0.853 1.106 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.528 -0.148 2.293 1.00 1.00 H new ATOM 0 HG LEU A 698 20.314 2.878 2.590 1.00 1.00 H new ATOM 0 HD11 LEU A 698 18.415 2.404 4.131 1.00 1.00 H new ATOM 0 HD12 LEU A 698 18.047 1.856 2.479 1.00 1.00 H new ATOM 0 HD13 LEU A 698 18.521 0.675 3.723 1.00 1.00 H new ATOM 0 HD21 LEU A 698 20.769 2.371 4.973 1.00 1.00 H new ATOM 0 HD22 LEU A 698 20.867 0.637 4.587 1.00 1.00 H new ATOM 0 HD23 LEU A 698 22.076 1.765 3.928 1.00 1.00 H new ATOM 220 N SER A 699 21.946 -0.352 -0.606 1.00 1.00 N ATOM 221 CA SER A 699 22.424 -1.510 -1.344 1.00 1.00 C ATOM 222 C SER A 699 23.883 -1.312 -1.730 1.00 1.00 C ATOM 223 O SER A 699 24.676 -2.252 -1.691 1.00 1.00 O ATOM 224 CB SER A 699 21.570 -1.724 -2.596 1.00 1.00 C ATOM 225 OG SER A 699 20.197 -1.798 -2.222 1.00 1.00 O ATOM 0 H SER A 699 21.227 0.187 -1.088 1.00 1.00 H new ATOM 0 HA SER A 699 22.343 -2.393 -0.711 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.724 -0.906 -3.299 1.00 1.00 H new ATOM 0 HB3 SER A 699 21.871 -2.641 -3.103 1.00 1.00 H new ATOM 0 HG SER A 699 19.789 -0.910 -2.296 1.00 1.00 H new ATOM 231 N VAL A 700 24.224 -0.078 -2.103 1.00 1.00 N ATOM 232 CA VAL A 700 25.591 0.239 -2.499 1.00 1.00 C ATOM 233 C VAL A 700 26.559 0.036 -1.335 1.00 1.00 C ATOM 234 O VAL A 700 27.627 -0.553 -1.507 1.00 1.00 O ATOM 235 CB VAL A 700 25.666 1.689 -2.990 1.00 1.00 C ATOM 236 CG1 VAL A 700 27.131 2.111 -3.127 1.00 1.00 C ATOM 237 CG2 VAL A 700 24.983 1.808 -4.357 1.00 1.00 C ATOM 0 H VAL A 700 23.577 0.710 -2.138 1.00 1.00 H new ATOM 0 HA VAL A 700 25.879 -0.435 -3.306 1.00 1.00 H new ATOM 0 HB VAL A 700 25.162 2.334 -2.270 1.00 1.00 H new ATOM 0 HG11 VAL A 700 27.181 3.142 -3.476 1.00 1.00 H new ATOM 0 HG12 VAL A 700 27.625 2.031 -2.158 1.00 1.00 H new ATOM 0 HG13 VAL A 700 27.632 1.460 -3.844 1.00 1.00 H new ATOM 0 HG21 VAL A 700 25.038 2.840 -4.703 1.00 1.00 H new ATOM 0 HG22 VAL A 700 25.486 1.158 -5.073 1.00 1.00 H new ATOM 0 HG23 VAL A 700 23.938 1.510 -4.269 1.00 1.00 H new ATOM 247 N MET A 701 26.196 0.552 -0.159 1.00 1.00 N ATOM 248 CA MET A 701 27.062 0.446 1.016 1.00 1.00 C ATOM 249 C MET A 701 27.280 -1.005 1.438 1.00 1.00 C ATOM 250 O MET A 701 28.393 -1.389 1.801 1.00 1.00 O ATOM 251 CB MET A 701 26.454 1.219 2.194 1.00 1.00 C ATOM 252 CG MET A 701 26.659 2.724 2.001 1.00 1.00 C ATOM 253 SD MET A 701 25.773 3.633 3.296 1.00 1.00 S ATOM 254 CE MET A 701 26.758 3.089 4.717 1.00 1.00 C ATOM 0 H MET A 701 25.317 1.043 0.004 1.00 1.00 H new ATOM 0 HA MET A 701 28.026 0.873 0.741 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.390 0.997 2.274 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.917 0.898 3.127 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.722 2.964 2.037 1.00 1.00 H new ATOM 0 HG3 MET A 701 26.297 3.027 1.018 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.646 3.804 5.532 1.00 1.00 H new ATOM 0 HE2 MET A 701 26.413 2.108 5.045 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.808 3.027 4.430 1.00 1.00 H new ATOM 264 N GLY A 702 26.221 -1.807 1.405 1.00 1.00 N ATOM 265 CA GLY A 702 26.327 -3.204 1.808 1.00 1.00 C ATOM 266 C GLY A 702 27.217 -3.998 0.860 1.00 1.00 C ATOM 267 O GLY A 702 28.034 -4.805 1.301 1.00 1.00 O ATOM 0 H GLY A 702 25.289 -1.518 1.107 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.730 -3.261 2.819 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.333 -3.651 1.835 1.00 1.00 H new ATOM 271 N ALA A 703 27.035 -3.794 -0.439 1.00 1.00 N ATOM 272 CA ALA A 703 27.806 -4.528 -1.436 1.00 1.00 C ATOM 273 C ALA A 703 29.302 -4.280 -1.301 1.00 1.00 C ATOM 274 O ALA A 703 30.109 -5.205 -1.403 1.00 1.00 O ATOM 275 CB ALA A 703 27.348 -4.116 -2.835 1.00 1.00 C ATOM 0 H ALA A 703 26.364 -3.130 -0.826 1.00 1.00 H new ATOM 0 HA ALA A 703 27.631 -5.591 -1.274 1.00 1.00 H new ATOM 0 HB1 ALA A 703 27.923 -4.663 -3.582 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.289 -4.345 -2.953 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.505 -3.046 -2.969 1.00 1.00 H new ATOM 281 N ILE A 704 29.659 -3.024 -1.069 1.00 1.00 N ATOM 282 CA ILE A 704 31.058 -2.653 -0.915 1.00 1.00 C ATOM 283 C ILE A 704 31.656 -3.298 0.333 1.00 1.00 C ATOM 284 O ILE A 704 32.775 -3.807 0.307 1.00 1.00 O ATOM 285 CB ILE A 704 31.162 -1.137 -0.811 1.00 1.00 C ATOM 286 CG1 ILE A 704 30.782 -0.514 -2.155 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.594 -0.741 -0.449 1.00 1.00 C ATOM 288 CD1 ILE A 704 30.513 0.978 -1.967 1.00 1.00 C ATOM 0 H ILE A 704 29.002 -2.248 -0.984 1.00 1.00 H new ATOM 0 HA ILE A 704 31.615 -3.007 -1.782 1.00 1.00 H new ATOM 0 HB ILE A 704 30.485 -0.778 -0.035 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.586 -0.661 -2.876 1.00 1.00 H new ATOM 0 HG13 ILE A 704 29.897 -1.006 -2.559 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.664 0.344 -0.376 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.864 -1.188 0.508 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.276 -1.097 -1.221 1.00 1.00 H new ATOM 0 HD11 ILE A 704 30.242 1.422 -2.925 1.00 1.00 H new ATOM 0 HD12 ILE A 704 29.695 1.114 -1.260 1.00 1.00 H new ATOM 0 HD13 ILE A 704 31.410 1.464 -1.582 1.00 1.00 H new ATOM 300 N LEU A 705 30.906 -3.257 1.431 1.00 1.00 N ATOM 301 CA LEU A 705 31.380 -3.823 2.690 1.00 1.00 C ATOM 302 C LEU A 705 31.577 -5.334 2.582 1.00 1.00 C ATOM 303 O LEU A 705 32.562 -5.871 3.087 1.00 1.00 O ATOM 304 CB LEU A 705 30.376 -3.512 3.810 1.00 1.00 C ATOM 305 CG LEU A 705 30.849 -4.117 5.141 1.00 1.00 C ATOM 306 CD1 LEU A 705 32.245 -3.595 5.495 1.00 1.00 C ATOM 307 CD2 LEU A 705 29.869 -3.719 6.245 1.00 1.00 C ATOM 0 H LEU A 705 29.975 -2.842 1.475 1.00 1.00 H new ATOM 0 HA LEU A 705 32.344 -3.370 2.922 1.00 1.00 H new ATOM 0 HB2 LEU A 705 30.262 -2.433 3.915 1.00 1.00 H new ATOM 0 HB3 LEU A 705 29.396 -3.913 3.550 1.00 1.00 H new ATOM 0 HG LEU A 705 30.890 -5.202 5.046 1.00 1.00 H new ATOM 0 HD11 LEU A 705 32.568 -4.032 6.440 1.00 1.00 H new ATOM 0 HD12 LEU A 705 32.947 -3.872 4.709 1.00 1.00 H new ATOM 0 HD13 LEU A 705 32.215 -2.509 5.588 1.00 1.00 H new ATOM 0 HD21 LEU A 705 30.197 -4.144 7.193 1.00 1.00 H new ATOM 0 HD22 LEU A 705 29.835 -2.633 6.327 1.00 1.00 H new ATOM 0 HD23 LEU A 705 28.875 -4.096 6.003 1.00 1.00 H new ATOM 319 N LEU A 706 30.639 -6.025 1.944 1.00 1.00 N ATOM 320 CA LEU A 706 30.736 -7.476 1.815 1.00 1.00 C ATOM 321 C LEU A 706 31.973 -7.891 1.020 1.00 1.00 C ATOM 322 O LEU A 706 32.666 -8.847 1.371 1.00 1.00 O ATOM 323 CB LEU A 706 29.487 -8.031 1.122 1.00 1.00 C ATOM 324 CG LEU A 706 28.262 -7.880 2.034 1.00 1.00 C ATOM 325 CD1 LEU A 706 26.994 -8.206 1.241 1.00 1.00 C ATOM 326 CD2 LEU A 706 28.358 -8.835 3.233 1.00 1.00 C ATOM 0 H LEU A 706 29.812 -5.611 1.513 1.00 1.00 H new ATOM 0 HA LEU A 706 30.818 -7.886 2.822 1.00 1.00 H new ATOM 0 HB2 LEU A 706 29.318 -7.503 0.184 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.637 -9.082 0.874 1.00 1.00 H new ATOM 0 HG LEU A 706 28.226 -6.853 2.399 1.00 1.00 H new ATOM 0 HD11 LEU A 706 26.123 -8.099 1.888 1.00 1.00 H new ATOM 0 HD12 LEU A 706 26.906 -7.521 0.398 1.00 1.00 H new ATOM 0 HD13 LEU A 706 27.049 -9.230 0.872 1.00 1.00 H new ATOM 0 HD21 LEU A 706 27.480 -8.712 3.867 1.00 1.00 H new ATOM 0 HD22 LEU A 706 28.407 -9.864 2.876 1.00 1.00 H new ATOM 0 HD23 LEU A 706 29.256 -8.608 3.808 1.00 1.00 H new ATOM 338 N ILE A 707 32.243 -7.148 -0.050 1.00 1.00 N ATOM 339 CA ILE A 707 33.404 -7.425 -0.890 1.00 1.00 C ATOM 340 C ILE A 707 34.684 -7.255 -0.082 1.00 1.00 C ATOM 341 O ILE A 707 35.607 -8.064 -0.173 1.00 1.00 O ATOM 342 CB ILE A 707 33.429 -6.464 -2.081 1.00 1.00 C ATOM 343 CG1 ILE A 707 32.283 -6.806 -3.046 1.00 1.00 C ATOM 344 CG2 ILE A 707 34.776 -6.573 -2.802 1.00 1.00 C ATOM 345 CD1 ILE A 707 32.749 -7.840 -4.074 1.00 1.00 C ATOM 0 H ILE A 707 31.678 -6.355 -0.354 1.00 1.00 H new ATOM 0 HA ILE A 707 33.336 -8.451 -1.252 1.00 1.00 H new ATOM 0 HB ILE A 707 33.299 -5.442 -1.725 1.00 1.00 H new ATOM 0 HG12 ILE A 707 31.432 -7.195 -2.488 1.00 1.00 H new ATOM 0 HG13 ILE A 707 31.945 -5.903 -3.555 1.00 1.00 H new ATOM 0 HG21 ILE A 707 34.791 -5.888 -3.650 1.00 1.00 H new ATOM 0 HG22 ILE A 707 35.580 -6.315 -2.112 1.00 1.00 H new ATOM 0 HG23 ILE A 707 34.917 -7.594 -3.158 1.00 1.00 H new ATOM 0 HD11 ILE A 707 31.928 -8.074 -4.752 1.00 1.00 H new ATOM 0 HD12 ILE A 707 33.586 -7.436 -4.643 1.00 1.00 H new ATOM 0 HD13 ILE A 707 33.065 -8.748 -3.560 1.00 1.00 H new ATOM 357 N GLY A 708 34.722 -6.187 0.707 1.00 1.00 N ATOM 358 CA GLY A 708 35.891 -5.905 1.533 1.00 1.00 C ATOM 359 C GLY A 708 36.165 -7.049 2.503 1.00 1.00 C ATOM 360 O GLY A 708 37.315 -7.434 2.713 1.00 1.00 O ATOM 0 H GLY A 708 33.965 -5.508 0.792 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.761 -5.748 0.896 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.733 -4.982 2.090 1.00 1.00 H new ATOM 364 N LEU A 709 35.100 -7.592 3.092 1.00 1.00 N ATOM 365 CA LEU A 709 35.254 -8.694 4.040 1.00 1.00 C ATOM 366 C LEU A 709 35.843 -9.917 3.342 1.00 1.00 C ATOM 367 O LEU A 709 36.740 -10.573 3.871 1.00 1.00 O ATOM 368 CB LEU A 709 33.900 -9.058 4.666 1.00 1.00 C ATOM 369 CG LEU A 709 33.419 -7.925 5.584 1.00 1.00 C ATOM 370 CD1 LEU A 709 32.005 -8.233 6.077 1.00 1.00 C ATOM 371 CD2 LEU A 709 34.353 -7.784 6.795 1.00 1.00 C ATOM 0 H LEU A 709 34.138 -7.293 2.933 1.00 1.00 H new ATOM 0 HA LEU A 709 35.934 -8.372 4.829 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.165 -9.237 3.882 1.00 1.00 H new ATOM 0 HB3 LEU A 709 33.991 -9.983 5.235 1.00 1.00 H new ATOM 0 HG LEU A 709 33.423 -6.993 5.019 1.00 1.00 H new ATOM 0 HD11 LEU A 709 31.664 -7.429 6.729 1.00 1.00 H new ATOM 0 HD12 LEU A 709 31.333 -8.319 5.223 1.00 1.00 H new ATOM 0 HD13 LEU A 709 32.009 -9.172 6.631 1.00 1.00 H new ATOM 0 HD21 LEU A 709 33.998 -6.977 7.436 1.00 1.00 H new ATOM 0 HD22 LEU A 709 34.362 -8.717 7.358 1.00 1.00 H new ATOM 0 HD23 LEU A 709 35.362 -7.558 6.452 1.00 1.00 H new ATOM 383 N ALA A 710 35.346 -10.212 2.145 1.00 1.00 N ATOM 384 CA ALA A 710 35.855 -11.352 1.391 1.00 1.00 C ATOM 385 C ALA A 710 37.321 -11.122 1.037 1.00 1.00 C ATOM 386 O ALA A 710 38.128 -12.051 1.054 1.00 1.00 O ATOM 387 CB ALA A 710 35.040 -11.551 0.110 1.00 1.00 C ATOM 0 H ALA A 710 34.604 -9.687 1.682 1.00 1.00 H new ATOM 0 HA ALA A 710 35.766 -12.247 2.006 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.432 -12.405 -0.442 1.00 1.00 H new ATOM 0 HB2 ALA A 710 33.997 -11.733 0.367 1.00 1.00 H new ATOM 0 HB3 ALA A 710 35.110 -10.656 -0.509 1.00 1.00 H new ATOM 393 N ALA A 711 37.655 -9.874 0.723 1.00 1.00 N ATOM 394 CA ALA A 711 39.029 -9.536 0.372 1.00 1.00 C ATOM 395 C ALA A 711 39.967 -9.810 1.546 1.00 1.00 C ATOM 396 O ALA A 711 41.030 -10.406 1.378 1.00 1.00 O ATOM 397 CB ALA A 711 39.119 -8.060 -0.026 1.00 1.00 C ATOM 0 H ALA A 711 37.003 -9.090 0.704 1.00 1.00 H new ATOM 0 HA ALA A 711 39.332 -10.157 -0.471 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.149 -7.816 -0.287 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.474 -7.875 -0.885 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.799 -7.438 0.810 1.00 1.00 H new ATOM 403 N LEU A 712 39.573 -9.353 2.732 1.00 1.00 N ATOM 404 CA LEU A 712 40.386 -9.534 3.932 1.00 1.00 C ATOM 405 C LEU A 712 40.534 -11.007 4.306 1.00 1.00 C ATOM 406 O LEU A 712 41.594 -11.438 4.762 1.00 1.00 O ATOM 407 CB LEU A 712 39.757 -8.784 5.109 1.00 1.00 C ATOM 408 CG LEU A 712 39.851 -7.273 4.876 1.00 1.00 C ATOM 409 CD1 LEU A 712 39.076 -6.547 5.973 1.00 1.00 C ATOM 410 CD2 LEU A 712 41.319 -6.820 4.901 1.00 1.00 C ATOM 0 H LEU A 712 38.697 -8.855 2.888 1.00 1.00 H new ATOM 0 HA LEU A 712 41.376 -9.135 3.713 1.00 1.00 H new ATOM 0 HB2 LEU A 712 38.714 -9.079 5.223 1.00 1.00 H new ATOM 0 HB3 LEU A 712 40.267 -9.050 6.035 1.00 1.00 H new ATOM 0 HG LEU A 712 39.426 -7.035 3.901 1.00 1.00 H new ATOM 0 HD11 LEU A 712 39.140 -5.471 5.812 1.00 1.00 H new ATOM 0 HD12 LEU A 712 38.031 -6.857 5.946 1.00 1.00 H new ATOM 0 HD13 LEU A 712 39.503 -6.794 6.945 1.00 1.00 H new ATOM 0 HD21 LEU A 712 41.371 -5.744 4.734 1.00 1.00 H new ATOM 0 HD22 LEU A 712 41.757 -7.058 5.870 1.00 1.00 H new ATOM 0 HD23 LEU A 712 41.872 -7.336 4.116 1.00 1.00 H new ATOM 422 N LEU A 713 39.450 -11.760 4.159 1.00 1.00 N ATOM 423 CA LEU A 713 39.451 -13.170 4.530 1.00 1.00 C ATOM 424 C LEU A 713 40.451 -13.974 3.706 1.00 1.00 C ATOM 425 O LEU A 713 41.196 -14.791 4.243 1.00 1.00 O ATOM 426 CB LEU A 713 38.048 -13.751 4.336 1.00 1.00 C ATOM 427 CG LEU A 713 37.126 -13.284 5.471 1.00 1.00 C ATOM 428 CD1 LEU A 713 35.672 -13.584 5.100 1.00 1.00 C ATOM 429 CD2 LEU A 713 37.473 -14.007 6.783 1.00 1.00 C ATOM 0 H LEU A 713 38.563 -11.420 3.787 1.00 1.00 H new ATOM 0 HA LEU A 713 39.748 -13.239 5.577 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.644 -13.435 3.374 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.095 -14.840 4.319 1.00 1.00 H new ATOM 0 HG LEU A 713 37.263 -12.212 5.613 1.00 1.00 H new ATOM 0 HD11 LEU A 713 35.015 -13.253 5.905 1.00 1.00 H new ATOM 0 HD12 LEU A 713 35.415 -13.056 4.182 1.00 1.00 H new ATOM 0 HD13 LEU A 713 35.549 -14.656 4.949 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.808 -13.662 7.575 1.00 1.00 H new ATOM 0 HD22 LEU A 713 37.351 -15.082 6.649 1.00 1.00 H new ATOM 0 HD23 LEU A 713 38.506 -13.790 7.056 1.00 1.00 H new ATOM 441 N ILE A 714 40.484 -13.713 2.401 1.00 1.00 N ATOM 442 CA ILE A 714 41.422 -14.402 1.527 1.00 1.00 C ATOM 443 C ILE A 714 42.839 -14.032 1.947 1.00 1.00 C ATOM 444 O ILE A 714 43.724 -14.883 2.031 1.00 1.00 O ATOM 445 CB ILE A 714 41.193 -13.971 0.073 1.00 1.00 C ATOM 446 CG1 ILE A 714 39.826 -14.468 -0.408 1.00 1.00 C ATOM 447 CG2 ILE A 714 42.282 -14.571 -0.820 1.00 1.00 C ATOM 448 CD1 ILE A 714 39.456 -13.746 -1.706 1.00 1.00 C ATOM 0 H ILE A 714 39.879 -13.038 1.933 1.00 1.00 H new ATOM 0 HA ILE A 714 41.275 -15.479 1.605 1.00 1.00 H new ATOM 0 HB ILE A 714 41.227 -12.883 0.018 1.00 1.00 H new ATOM 0 HG12 ILE A 714 39.855 -15.545 -0.572 1.00 1.00 H new ATOM 0 HG13 ILE A 714 39.069 -14.282 0.354 1.00 1.00 H new ATOM 0 HG21 ILE A 714 42.117 -14.263 -1.852 1.00 1.00 H new ATOM 0 HG22 ILE A 714 43.259 -14.219 -0.489 1.00 1.00 H new ATOM 0 HG23 ILE A 714 42.247 -15.659 -0.756 1.00 1.00 H new ATOM 0 HD11 ILE A 714 38.484 -14.096 -2.053 1.00 1.00 H new ATOM 0 HD12 ILE A 714 39.412 -12.672 -1.525 1.00 1.00 H new ATOM 0 HD13 ILE A 714 40.209 -13.955 -2.466 1.00 1.00 H new ATOM 460 N TRP A 715 43.032 -12.746 2.213 1.00 1.00 N ATOM 461 CA TRP A 715 44.349 -12.289 2.626 1.00 1.00 C ATOM 462 C TRP A 715 44.798 -13.101 3.842 1.00 1.00 C ATOM 463 O TRP A 715 45.904 -13.645 3.870 1.00 1.00 O ATOM 464 CB TRP A 715 44.285 -10.795 2.976 1.00 1.00 C ATOM 465 CG TRP A 715 45.644 -10.254 3.329 1.00 1.00 C ATOM 466 CD1 TRP A 715 46.831 -10.899 3.175 1.00 1.00 C ATOM 467 CD2 TRP A 715 45.969 -8.943 3.887 1.00 1.00 C ATOM 468 NE1 TRP A 715 47.850 -10.070 3.605 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.372 -8.857 4.052 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.191 -7.831 4.264 1.00 1.00 C ATOM 471 CZ2 TRP A 715 47.982 -7.715 4.570 1.00 1.00 C ATOM 472 CZ3 TRP A 715 45.803 -6.679 4.786 1.00 1.00 C ATOM 473 CH2 TRP A 715 47.195 -6.622 4.938 1.00 1.00 C ATOM 0 H TRP A 715 42.316 -12.022 2.153 1.00 1.00 H new ATOM 0 HA TRP A 715 45.065 -12.429 1.817 1.00 1.00 H new ATOM 0 HB2 TRP A 715 43.879 -10.239 2.131 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.603 -10.645 3.813 1.00 1.00 H new ATOM 0 HD1 TRP A 715 46.957 -11.897 2.781 1.00 1.00 H new ATOM 0 HE1 TRP A 715 48.837 -10.325 3.593 1.00 1.00 H new ATOM 0 HE3 TRP A 715 44.117 -7.864 4.151 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 49.055 -7.676 4.686 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 45.197 -5.832 5.072 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.659 -5.733 5.340 1.00 1.00 H new ATOM 484 N LYS A 716 43.924 -13.183 4.844 1.00 1.00 N ATOM 485 CA LYS A 716 44.236 -13.929 6.057 1.00 1.00 C ATOM 486 C LYS A 716 44.494 -15.392 5.711 1.00 1.00 C ATOM 487 O LYS A 716 45.363 -16.034 6.302 1.00 1.00 O ATOM 488 CB LYS A 716 43.062 -13.845 7.054 1.00 1.00 C ATOM 489 CG LYS A 716 43.392 -14.497 8.422 1.00 1.00 C ATOM 490 CD LYS A 716 44.186 -13.581 9.394 1.00 1.00 C ATOM 491 CE LYS A 716 45.626 -13.307 8.960 1.00 1.00 C ATOM 492 NZ LYS A 716 46.381 -12.788 10.133 1.00 1.00 N ATOM 0 H LYS A 716 43.003 -12.745 4.839 1.00 1.00 H new ATOM 0 HA LYS A 716 45.126 -13.495 6.513 1.00 1.00 H new ATOM 0 HB2 LYS A 716 42.796 -12.799 7.209 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.189 -14.335 6.623 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.460 -14.796 8.903 1.00 1.00 H new ATOM 0 HG3 LYS A 716 43.967 -15.407 8.248 1.00 1.00 H new ATOM 0 HD2 LYS A 716 43.661 -12.631 9.491 1.00 1.00 H new ATOM 0 HD3 LYS A 716 44.197 -14.041 10.382 1.00 1.00 H new ATOM 0 HE2 LYS A 716 46.089 -14.220 8.585 1.00 1.00 H new ATOM 0 HE3 LYS A 716 45.645 -12.582 8.146 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.365 -12.596 9.855 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 45.938 -11.909 10.470 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.368 -13.496 10.895 1.00 1.00 H new ATOM 506 N LEU A 717 43.731 -15.912 4.755 1.00 1.00 N ATOM 507 CA LEU A 717 43.890 -17.300 4.338 1.00 1.00 C ATOM 508 C LEU A 717 45.281 -17.505 3.735 1.00 1.00 C ATOM 509 O LEU A 717 45.908 -18.538 3.969 1.00 1.00 O ATOM 510 CB LEU A 717 42.803 -17.676 3.321 1.00 1.00 C ATOM 511 CG LEU A 717 42.976 -19.130 2.865 1.00 1.00 C ATOM 512 CD1 LEU A 717 42.905 -20.070 4.070 1.00 1.00 C ATOM 513 CD2 LEU A 717 41.859 -19.488 1.881 1.00 1.00 C ATOM 0 H LEU A 717 43.003 -15.399 4.258 1.00 1.00 H new ATOM 0 HA LEU A 717 43.786 -17.948 5.209 1.00 1.00 H new ATOM 0 HB2 LEU A 717 41.817 -17.543 3.767 1.00 1.00 H new ATOM 0 HB3 LEU A 717 42.856 -17.010 2.460 1.00 1.00 H new ATOM 0 HG LEU A 717 43.947 -19.239 2.382 1.00 1.00 H new ATOM 0 HD11 LEU A 717 43.029 -21.100 3.736 1.00 1.00 H new ATOM 0 HD12 LEU A 717 43.698 -19.819 4.774 1.00 1.00 H new ATOM 0 HD13 LEU A 717 41.937 -19.961 4.560 1.00 1.00 H new ATOM 0 HD21 LEU A 717 41.979 -20.521 1.555 1.00 1.00 H new ATOM 0 HD22 LEU A 717 40.892 -19.372 2.370 1.00 1.00 H new ATOM 0 HD23 LEU A 717 41.910 -18.826 1.016 1.00 1.00 H new ATOM 525 N LEU A 718 45.751 -16.553 2.935 1.00 1.00 N ATOM 526 CA LEU A 718 47.057 -16.711 2.294 1.00 1.00 C ATOM 527 C LEU A 718 48.172 -16.816 3.328 1.00 1.00 C ATOM 528 O LEU A 718 49.046 -17.679 3.238 1.00 1.00 O ATOM 529 CB LEU A 718 47.337 -15.524 1.367 1.00 1.00 C ATOM 530 CG LEU A 718 46.383 -15.560 0.166 1.00 1.00 C ATOM 531 CD1 LEU A 718 46.494 -14.242 -0.599 1.00 1.00 C ATOM 532 CD2 LEU A 718 46.741 -16.723 -0.774 1.00 1.00 C ATOM 0 H LEU A 718 45.264 -15.684 2.717 1.00 1.00 H new ATOM 0 HA LEU A 718 47.032 -17.634 1.714 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.213 -14.589 1.913 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.370 -15.557 1.022 1.00 1.00 H new ATOM 0 HG LEU A 718 45.365 -15.702 0.528 1.00 1.00 H new ATOM 0 HD11 LEU A 718 45.819 -14.260 -1.454 1.00 1.00 H new ATOM 0 HD12 LEU A 718 46.225 -13.416 0.059 1.00 1.00 H new ATOM 0 HD13 LEU A 718 47.518 -14.109 -0.948 1.00 1.00 H new ATOM 0 HD21 LEU A 718 46.053 -16.732 -1.620 1.00 1.00 H new ATOM 0 HD22 LEU A 718 47.761 -16.597 -1.137 1.00 1.00 H new ATOM 0 HD23 LEU A 718 46.663 -17.666 -0.233 1.00 1.00 H new ATOM 544 N ILE A 719 48.149 -15.902 4.289 1.00 1.00 N ATOM 545 CA ILE A 719 49.160 -15.845 5.337 1.00 1.00 C ATOM 546 C ILE A 719 49.078 -17.022 6.299 1.00 1.00 C ATOM 547 O ILE A 719 50.106 -17.593 6.661 1.00 1.00 O ATOM 548 CB ILE A 719 48.997 -14.537 6.113 1.00 1.00 C ATOM 549 CG1 ILE A 719 49.337 -13.370 5.183 1.00 1.00 C ATOM 550 CG2 ILE A 719 49.946 -14.522 7.316 1.00 1.00 C ATOM 551 CD1 ILE A 719 48.880 -12.054 5.817 1.00 1.00 C ATOM 0 H ILE A 719 47.431 -15.181 4.364 1.00 1.00 H new ATOM 0 HA ILE A 719 50.137 -15.894 4.856 1.00 1.00 H new ATOM 0 HB ILE A 719 47.971 -14.447 6.470 1.00 1.00 H new ATOM 0 HG12 ILE A 719 50.411 -13.342 4.997 1.00 1.00 H new ATOM 0 HG13 ILE A 719 48.850 -13.508 4.218 1.00 1.00 H new ATOM 0 HG21 ILE A 719 49.824 -13.588 7.864 1.00 1.00 H new ATOM 0 HG22 ILE A 719 49.714 -15.360 7.973 1.00 1.00 H new ATOM 0 HG23 ILE A 719 50.976 -14.607 6.968 1.00 1.00 H new ATOM 0 HD11 ILE A 719 49.124 -11.226 5.152 1.00 1.00 H new ATOM 0 HD12 ILE A 719 47.803 -12.083 5.980 1.00 1.00 H new ATOM 0 HD13 ILE A 719 49.388 -11.914 6.771 1.00 1.00 H new