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 77:sc= 0.628 USER MOD Single : A 701 MET CE :methyl 154:sc= -0.114 (180deg=-0.921) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 131 N LEU A 694 16.924 5.979 -0.999 1.00 1.00 N ATOM 132 CA LEU A 694 17.380 5.395 0.260 1.00 1.00 C ATOM 133 C LEU A 694 17.746 3.928 0.071 1.00 1.00 C ATOM 134 O LEU A 694 18.752 3.456 0.598 1.00 1.00 O ATOM 135 CB LEU A 694 16.274 5.489 1.315 1.00 1.00 C ATOM 136 CG LEU A 694 15.974 6.953 1.652 1.00 1.00 C ATOM 137 CD1 LEU A 694 14.832 7.007 2.668 1.00 1.00 C ATOM 138 CD2 LEU A 694 17.214 7.622 2.249 1.00 1.00 C ATOM 0 HA LEU A 694 18.259 5.950 0.589 1.00 1.00 H new ATOM 0 HB2 LEU A 694 15.371 5.002 0.947 1.00 1.00 H new ATOM 0 HB3 LEU A 694 16.578 4.957 2.217 1.00 1.00 H new ATOM 0 HG LEU A 694 15.691 7.480 0.741 1.00 1.00 H new ATOM 0 HD11 LEU A 694 14.612 8.046 2.913 1.00 1.00 H new ATOM 0 HD12 LEU A 694 13.944 6.539 2.243 1.00 1.00 H new ATOM 0 HD13 LEU A 694 15.125 6.475 3.573 1.00 1.00 H new ATOM 0 HD21 LEU A 694 16.989 8.662 2.484 1.00 1.00 H new ATOM 0 HD22 LEU A 694 17.507 7.099 3.159 1.00 1.00 H new ATOM 0 HD23 LEU A 694 18.031 7.582 1.529 1.00 1.00 H new ATOM 150 N VAL A 695 16.913 3.209 -0.675 1.00 1.00 N ATOM 151 CA VAL A 695 17.135 1.790 -0.926 1.00 1.00 C ATOM 152 C VAL A 695 18.418 1.565 -1.721 1.00 1.00 C ATOM 153 O VAL A 695 19.189 0.649 -1.437 1.00 1.00 O ATOM 154 CB VAL A 695 15.948 1.210 -1.700 1.00 1.00 C ATOM 155 CG1 VAL A 695 16.242 -0.243 -2.071 1.00 1.00 C ATOM 156 CG2 VAL A 695 14.689 1.265 -0.833 1.00 1.00 C ATOM 0 H VAL A 695 16.076 3.588 -1.117 1.00 1.00 H new ATOM 0 HA VAL A 695 17.233 1.287 0.036 1.00 1.00 H new ATOM 0 HB VAL A 695 15.790 1.795 -2.606 1.00 1.00 H new ATOM 0 HG11 VAL A 695 15.397 -0.656 -2.622 1.00 1.00 H new ATOM 0 HG12 VAL A 695 17.136 -0.286 -2.693 1.00 1.00 H new ATOM 0 HG13 VAL A 695 16.403 -0.825 -1.163 1.00 1.00 H new ATOM 0 HG21 VAL A 695 13.847 0.851 -1.388 1.00 1.00 H new ATOM 0 HG22 VAL A 695 14.847 0.683 0.075 1.00 1.00 H new ATOM 0 HG23 VAL A 695 14.475 2.300 -0.567 1.00 1.00 H new ATOM 166 N VAL A 696 18.634 2.411 -2.721 1.00 1.00 N ATOM 167 CA VAL A 696 19.824 2.299 -3.556 1.00 1.00 C ATOM 168 C VAL A 696 21.090 2.495 -2.724 1.00 1.00 C ATOM 169 O VAL A 696 22.044 1.723 -2.827 1.00 1.00 O ATOM 170 CB VAL A 696 19.762 3.350 -4.669 1.00 1.00 C ATOM 171 CG1 VAL A 696 21.097 3.402 -5.413 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.642 2.994 -5.656 1.00 1.00 C ATOM 0 H VAL A 696 18.007 3.176 -2.972 1.00 1.00 H new ATOM 0 HA VAL A 696 19.855 1.301 -3.994 1.00 1.00 H new ATOM 0 HB VAL A 696 19.560 4.324 -4.225 1.00 1.00 H new ATOM 0 HG11 VAL A 696 21.045 4.152 -6.203 1.00 1.00 H new ATOM 0 HG12 VAL A 696 21.892 3.665 -4.715 1.00 1.00 H new ATOM 0 HG13 VAL A 696 21.307 2.427 -5.852 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.601 3.744 -6.446 1.00 1.00 H new ATOM 0 HG22 VAL A 696 18.840 2.016 -6.094 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.688 2.969 -5.130 1.00 1.00 H new ATOM 182 N LEU A 697 21.090 3.536 -1.901 1.00 1.00 N ATOM 183 CA LEU A 697 22.250 3.822 -1.063 1.00 1.00 C ATOM 184 C LEU A 697 22.512 2.684 -0.082 1.00 1.00 C ATOM 185 O LEU A 697 23.658 2.298 0.147 1.00 1.00 O ATOM 186 CB LEU A 697 22.021 5.120 -0.282 1.00 1.00 C ATOM 187 CG LEU A 697 22.040 6.319 -1.235 1.00 1.00 C ATOM 188 CD1 LEU A 697 21.629 7.574 -0.466 1.00 1.00 C ATOM 189 CD2 LEU A 697 23.445 6.517 -1.820 1.00 1.00 C ATOM 0 H LEU A 697 20.313 4.188 -1.795 1.00 1.00 H new ATOM 0 HA LEU A 697 23.118 3.929 -1.713 1.00 1.00 H new ATOM 0 HB2 LEU A 697 21.065 5.076 0.240 1.00 1.00 H new ATOM 0 HB3 LEU A 697 22.794 5.237 0.478 1.00 1.00 H new ATOM 0 HG LEU A 697 21.343 6.135 -2.053 1.00 1.00 H new ATOM 0 HD11 LEU A 697 21.640 8.432 -1.138 1.00 1.00 H new ATOM 0 HD12 LEU A 697 20.625 7.441 -0.063 1.00 1.00 H new ATOM 0 HD13 LEU A 697 22.329 7.745 0.352 1.00 1.00 H new ATOM 0 HD21 LEU A 697 23.441 7.373 -2.495 1.00 1.00 H new ATOM 0 HD22 LEU A 697 24.154 6.696 -1.012 1.00 1.00 H new ATOM 0 HD23 LEU A 697 23.740 5.623 -2.370 1.00 1.00 H new ATOM 201 N LEU A 698 21.442 2.158 0.507 1.00 1.00 N ATOM 202 CA LEU A 698 21.562 1.075 1.472 1.00 1.00 C ATOM 203 C LEU A 698 22.166 -0.178 0.836 1.00 1.00 C ATOM 204 O LEU A 698 23.008 -0.846 1.438 1.00 1.00 O ATOM 205 CB LEU A 698 20.180 0.742 2.041 1.00 1.00 C ATOM 206 CG LEU A 698 19.765 1.804 3.067 1.00 1.00 C ATOM 207 CD1 LEU A 698 18.296 1.592 3.440 1.00 1.00 C ATOM 208 CD2 LEU A 698 20.628 1.698 4.334 1.00 1.00 C ATOM 0 H LEU A 698 20.485 2.465 0.332 1.00 1.00 H new ATOM 0 HA LEU A 698 22.228 1.405 2.270 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.447 0.697 1.235 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.198 -0.242 2.511 1.00 1.00 H new ATOM 0 HG LEU A 698 19.905 2.792 2.629 1.00 1.00 H new ATOM 0 HD11 LEU A 698 17.994 2.344 4.169 1.00 1.00 H new ATOM 0 HD12 LEU A 698 17.677 1.683 2.547 1.00 1.00 H new ATOM 0 HD13 LEU A 698 18.169 0.598 3.869 1.00 1.00 H new ATOM 0 HD21 LEU A 698 20.319 2.460 5.050 1.00 1.00 H new ATOM 0 HD22 LEU A 698 20.503 0.710 4.778 1.00 1.00 H new ATOM 0 HD23 LEU A 698 21.676 1.849 4.074 1.00 1.00 H new ATOM 220 N SER A 699 21.742 -0.481 -0.391 1.00 1.00 N ATOM 221 CA SER A 699 22.250 -1.645 -1.117 1.00 1.00 C ATOM 222 C SER A 699 23.711 -1.443 -1.505 1.00 1.00 C ATOM 223 O SER A 699 24.501 -2.388 -1.498 1.00 1.00 O ATOM 224 CB SER A 699 21.406 -1.899 -2.369 1.00 1.00 C ATOM 225 OG SER A 699 20.053 -2.098 -1.986 1.00 1.00 O ATOM 0 H SER A 699 21.048 0.064 -0.903 1.00 1.00 H new ATOM 0 HA SER A 699 22.182 -2.513 -0.461 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.483 -1.053 -3.052 1.00 1.00 H new ATOM 0 HB3 SER A 699 21.778 -2.774 -2.902 1.00 1.00 H new ATOM 0 HG SER A 699 19.644 -1.234 -1.770 1.00 1.00 H new ATOM 231 N VAL A 700 24.058 -0.210 -1.857 1.00 1.00 N ATOM 232 CA VAL A 700 25.426 0.094 -2.259 1.00 1.00 C ATOM 233 C VAL A 700 26.396 -0.109 -1.097 1.00 1.00 C ATOM 234 O VAL A 700 27.477 -0.673 -1.274 1.00 1.00 O ATOM 235 CB VAL A 700 25.514 1.534 -2.760 1.00 1.00 C ATOM 236 CG1 VAL A 700 26.980 1.907 -2.971 1.00 1.00 C ATOM 237 CG2 VAL A 700 24.762 1.656 -4.089 1.00 1.00 C ATOM 0 H VAL A 700 23.420 0.586 -1.872 1.00 1.00 H new ATOM 0 HA VAL A 700 25.704 -0.588 -3.062 1.00 1.00 H new ATOM 0 HB VAL A 700 25.068 2.205 -2.026 1.00 1.00 H new ATOM 0 HG11 VAL A 700 27.046 2.935 -3.329 1.00 1.00 H new ATOM 0 HG12 VAL A 700 27.518 1.816 -2.027 1.00 1.00 H new ATOM 0 HG13 VAL A 700 27.423 1.237 -3.708 1.00 1.00 H new ATOM 0 HG21 VAL A 700 24.823 2.683 -4.449 1.00 1.00 H new ATOM 0 HG22 VAL A 700 25.210 0.987 -4.823 1.00 1.00 H new ATOM 0 HG23 VAL A 700 23.717 1.385 -3.942 1.00 1.00 H new ATOM 247 N MET A 701 26.019 0.389 0.078 1.00 1.00 N ATOM 248 CA MET A 701 26.877 0.295 1.258 1.00 1.00 C ATOM 249 C MET A 701 27.111 -1.151 1.675 1.00 1.00 C ATOM 250 O MET A 701 28.224 -1.524 2.031 1.00 1.00 O ATOM 251 CB MET A 701 26.248 1.070 2.418 1.00 1.00 C ATOM 252 CG MET A 701 26.415 2.571 2.170 1.00 1.00 C ATOM 253 SD MET A 701 25.588 3.508 3.483 1.00 1.00 S ATOM 254 CE MET A 701 26.675 3.031 4.852 1.00 1.00 C ATOM 0 H MET A 701 25.129 0.860 0.239 1.00 1.00 H new ATOM 0 HA MET A 701 27.843 0.729 1.001 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.191 0.820 2.508 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.723 0.790 3.358 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.474 2.828 2.139 1.00 1.00 H new ATOM 0 HG3 MET A 701 25.994 2.837 1.200 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.655 3.805 5.619 1.00 1.00 H new ATOM 0 HE2 MET A 701 26.331 2.089 5.279 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.694 2.912 4.483 1.00 1.00 H new ATOM 264 N GLY A 702 26.069 -1.965 1.641 1.00 1.00 N ATOM 265 CA GLY A 702 26.217 -3.358 2.034 1.00 1.00 C ATOM 266 C GLY A 702 27.109 -4.110 1.052 1.00 1.00 C ATOM 267 O GLY A 702 27.945 -4.913 1.454 1.00 1.00 O ATOM 0 H GLY A 702 25.129 -1.694 1.352 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.644 -3.414 3.035 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.237 -3.833 2.078 1.00 1.00 H new ATOM 271 N ALA A 703 26.905 -3.870 -0.238 1.00 1.00 N ATOM 272 CA ALA A 703 27.674 -4.561 -1.269 1.00 1.00 C ATOM 273 C ALA A 703 29.172 -4.278 -1.186 1.00 1.00 C ATOM 274 O ALA A 703 29.989 -5.192 -1.294 1.00 1.00 O ATOM 275 CB ALA A 703 27.179 -4.147 -2.650 1.00 1.00 C ATOM 0 H ALA A 703 26.218 -3.206 -0.595 1.00 1.00 H new ATOM 0 HA ALA A 703 27.525 -5.628 -1.102 1.00 1.00 H new ATOM 0 HB1 ALA A 703 27.757 -4.666 -3.414 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.126 -4.408 -2.752 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.300 -3.071 -2.772 1.00 1.00 H new ATOM 281 N ILE A 704 29.529 -3.011 -1.005 1.00 1.00 N ATOM 282 CA ILE A 704 30.937 -2.636 -0.927 1.00 1.00 C ATOM 283 C ILE A 704 31.591 -3.290 0.282 1.00 1.00 C ATOM 284 O ILE A 704 32.710 -3.801 0.201 1.00 1.00 O ATOM 285 CB ILE A 704 31.082 -1.123 -0.802 1.00 1.00 C ATOM 286 CG1 ILE A 704 30.619 -0.437 -2.091 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.553 -0.790 -0.562 1.00 1.00 C ATOM 288 CD1 ILE A 704 30.463 1.066 -1.839 1.00 1.00 C ATOM 0 H ILE A 704 28.873 -2.235 -0.911 1.00 1.00 H new ATOM 0 HA ILE A 704 31.426 -2.975 -1.840 1.00 1.00 H new ATOM 0 HB ILE A 704 30.469 -0.770 0.028 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.342 -0.610 -2.888 1.00 1.00 H new ATOM 0 HG13 ILE A 704 29.671 -0.862 -2.422 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.671 0.290 -0.471 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.890 -1.271 0.356 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.149 -1.151 -1.400 1.00 1.00 H new ATOM 0 HD11 ILE A 704 30.134 1.556 -2.755 1.00 1.00 H new ATOM 0 HD12 ILE A 704 29.724 1.229 -1.054 1.00 1.00 H new ATOM 0 HD13 ILE A 704 31.420 1.484 -1.528 1.00 1.00 H new ATOM 300 N LEU A 705 30.886 -3.257 1.405 1.00 1.00 N ATOM 301 CA LEU A 705 31.398 -3.835 2.642 1.00 1.00 C ATOM 302 C LEU A 705 31.584 -5.348 2.519 1.00 1.00 C ATOM 303 O LEU A 705 32.578 -5.892 3.001 1.00 1.00 O ATOM 304 CB LEU A 705 30.446 -3.530 3.806 1.00 1.00 C ATOM 305 CG LEU A 705 30.817 -2.208 4.511 1.00 1.00 C ATOM 306 CD1 LEU A 705 32.113 -2.384 5.309 1.00 1.00 C ATOM 307 CD2 LEU A 705 31.003 -1.077 3.490 1.00 1.00 C ATOM 0 H LEU A 705 29.960 -2.837 1.486 1.00 1.00 H new ATOM 0 HA LEU A 705 32.371 -3.384 2.837 1.00 1.00 H new ATOM 0 HB2 LEU A 705 29.423 -3.470 3.434 1.00 1.00 H new ATOM 0 HB3 LEU A 705 30.476 -4.348 4.526 1.00 1.00 H new ATOM 0 HG LEU A 705 30.002 -1.945 5.185 1.00 1.00 H new ATOM 0 HD11 LEU A 705 32.366 -1.446 5.803 1.00 1.00 H new ATOM 0 HD12 LEU A 705 31.976 -3.163 6.059 1.00 1.00 H new ATOM 0 HD13 LEU A 705 32.920 -2.668 4.634 1.00 1.00 H new ATOM 0 HD21 LEU A 705 31.264 -0.156 4.011 1.00 1.00 H new ATOM 0 HD22 LEU A 705 31.802 -1.340 2.797 1.00 1.00 H new ATOM 0 HD23 LEU A 705 30.076 -0.930 2.936 1.00 1.00 H new ATOM 319 N LEU A 706 30.632 -6.034 1.890 1.00 1.00 N ATOM 320 CA LEU A 706 30.727 -7.484 1.744 1.00 1.00 C ATOM 321 C LEU A 706 31.934 -7.889 0.904 1.00 1.00 C ATOM 322 O LEU A 706 32.656 -8.828 1.236 1.00 1.00 O ATOM 323 CB LEU A 706 29.451 -8.032 1.100 1.00 1.00 C ATOM 324 CG LEU A 706 28.288 -7.927 2.097 1.00 1.00 C ATOM 325 CD1 LEU A 706 26.968 -8.195 1.374 1.00 1.00 C ATOM 326 CD2 LEU A 706 28.463 -8.944 3.236 1.00 1.00 C ATOM 0 H LEU A 706 29.797 -5.616 1.479 1.00 1.00 H new ATOM 0 HA LEU A 706 30.850 -7.907 2.741 1.00 1.00 H new ATOM 0 HB2 LEU A 706 29.219 -7.472 0.194 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.598 -9.071 0.804 1.00 1.00 H new ATOM 0 HG LEU A 706 28.279 -6.922 2.520 1.00 1.00 H new ATOM 0 HD11 LEU A 706 26.143 -8.120 2.083 1.00 1.00 H new ATOM 0 HD12 LEU A 706 26.832 -7.460 0.580 1.00 1.00 H new ATOM 0 HD13 LEU A 706 26.986 -9.196 0.943 1.00 1.00 H new ATOM 0 HD21 LEU A 706 27.630 -8.856 3.934 1.00 1.00 H new ATOM 0 HD22 LEU A 706 28.485 -9.952 2.823 1.00 1.00 H new ATOM 0 HD23 LEU A 706 29.398 -8.746 3.760 1.00 1.00 H new ATOM 338 N ILE A 707 32.151 -7.153 -0.184 1.00 1.00 N ATOM 339 CA ILE A 707 33.284 -7.425 -1.057 1.00 1.00 C ATOM 340 C ILE A 707 34.589 -7.190 -0.303 1.00 1.00 C ATOM 341 O ILE A 707 35.532 -7.974 -0.404 1.00 1.00 O ATOM 342 CB ILE A 707 33.226 -6.539 -2.303 1.00 1.00 C ATOM 343 CG1 ILE A 707 32.035 -6.972 -3.165 1.00 1.00 C ATOM 344 CG2 ILE A 707 34.526 -6.705 -3.093 1.00 1.00 C ATOM 345 CD1 ILE A 707 31.763 -5.931 -4.255 1.00 1.00 C ATOM 0 H ILE A 707 31.563 -6.373 -0.478 1.00 1.00 H new ATOM 0 HA ILE A 707 33.239 -8.467 -1.374 1.00 1.00 H new ATOM 0 HB ILE A 707 33.107 -5.494 -2.018 1.00 1.00 H new ATOM 0 HG12 ILE A 707 32.240 -7.941 -3.621 1.00 1.00 H new ATOM 0 HG13 ILE A 707 31.150 -7.094 -2.540 1.00 1.00 H new ATOM 0 HG21 ILE A 707 34.494 -6.077 -3.983 1.00 1.00 H new ATOM 0 HG22 ILE A 707 35.370 -6.409 -2.471 1.00 1.00 H new ATOM 0 HG23 ILE A 707 34.641 -7.748 -3.389 1.00 1.00 H new ATOM 0 HD11 ILE A 707 30.915 -6.251 -4.860 1.00 1.00 H new ATOM 0 HD12 ILE A 707 31.537 -4.970 -3.792 1.00 1.00 H new ATOM 0 HD13 ILE A 707 32.644 -5.830 -4.889 1.00 1.00 H new ATOM 357 N GLY A 708 34.625 -6.098 0.456 1.00 1.00 N ATOM 358 CA GLY A 708 35.813 -5.761 1.234 1.00 1.00 C ATOM 359 C GLY A 708 36.168 -6.905 2.177 1.00 1.00 C ATOM 360 O GLY A 708 37.339 -7.240 2.354 1.00 1.00 O ATOM 0 H GLY A 708 33.853 -5.437 0.549 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.649 -5.559 0.565 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.635 -4.850 1.806 1.00 1.00 H new ATOM 364 N LEU A 709 35.144 -7.494 2.781 1.00 1.00 N ATOM 365 CA LEU A 709 35.357 -8.602 3.708 1.00 1.00 C ATOM 366 C LEU A 709 35.994 -9.785 2.978 1.00 1.00 C ATOM 367 O LEU A 709 36.930 -10.398 3.479 1.00 1.00 O ATOM 368 CB LEU A 709 34.018 -9.030 4.324 1.00 1.00 C ATOM 369 CG LEU A 709 34.225 -10.168 5.334 1.00 1.00 C ATOM 370 CD1 LEU A 709 35.073 -9.680 6.514 1.00 1.00 C ATOM 371 CD2 LEU A 709 32.865 -10.633 5.856 1.00 1.00 C ATOM 0 H LEU A 709 34.168 -7.228 2.649 1.00 1.00 H new ATOM 0 HA LEU A 709 36.029 -8.274 4.501 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.551 -8.178 4.819 1.00 1.00 H new ATOM 0 HB3 LEU A 709 33.337 -9.355 3.537 1.00 1.00 H new ATOM 0 HG LEU A 709 34.739 -10.992 4.839 1.00 1.00 H new ATOM 0 HD11 LEU A 709 35.213 -10.496 7.223 1.00 1.00 H new ATOM 0 HD12 LEU A 709 36.044 -9.345 6.150 1.00 1.00 H new ATOM 0 HD13 LEU A 709 34.566 -8.852 7.009 1.00 1.00 H new ATOM 0 HD21 LEU A 709 33.008 -11.441 6.573 1.00 1.00 H new ATOM 0 HD22 LEU A 709 32.358 -9.800 6.343 1.00 1.00 H new ATOM 0 HD23 LEU A 709 32.258 -10.990 5.024 1.00 1.00 H new ATOM 383 N ALA A 710 35.490 -10.092 1.790 1.00 1.00 N ATOM 384 CA ALA A 710 36.036 -11.205 1.018 1.00 1.00 C ATOM 385 C ALA A 710 37.515 -10.967 0.730 1.00 1.00 C ATOM 386 O ALA A 710 38.318 -11.901 0.721 1.00 1.00 O ATOM 387 CB ALA A 710 35.283 -11.360 -0.305 1.00 1.00 C ATOM 0 H ALA A 710 34.717 -9.597 1.344 1.00 1.00 H new ATOM 0 HA ALA A 710 35.920 -12.117 1.604 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.703 -12.194 -0.867 1.00 1.00 H new ATOM 0 HB2 ALA A 710 34.229 -11.552 -0.103 1.00 1.00 H new ATOM 0 HB3 ALA A 710 35.379 -10.444 -0.888 1.00 1.00 H new ATOM 393 N ALA A 711 37.861 -9.710 0.497 1.00 1.00 N ATOM 394 CA ALA A 711 39.249 -9.363 0.211 1.00 1.00 C ATOM 395 C ALA A 711 40.145 -9.662 1.411 1.00 1.00 C ATOM 396 O ALA A 711 41.223 -10.240 1.268 1.00 1.00 O ATOM 397 CB ALA A 711 39.348 -7.878 -0.138 1.00 1.00 C ATOM 0 H ALA A 711 37.213 -8.922 0.499 1.00 1.00 H new ATOM 0 HA ALA A 711 39.585 -9.965 -0.633 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.386 -7.623 -0.351 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.736 -7.669 -1.015 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.993 -7.282 0.703 1.00 1.00 H new ATOM 403 N LEU A 712 39.700 -9.241 2.588 1.00 1.00 N ATOM 404 CA LEU A 712 40.461 -9.431 3.819 1.00 1.00 C ATOM 405 C LEU A 712 40.650 -10.913 4.158 1.00 1.00 C ATOM 406 O LEU A 712 41.720 -11.321 4.614 1.00 1.00 O ATOM 407 CB LEU A 712 39.729 -8.726 4.969 1.00 1.00 C ATOM 408 CG LEU A 712 40.527 -8.837 6.275 1.00 1.00 C ATOM 409 CD1 LEU A 712 41.896 -8.166 6.121 1.00 1.00 C ATOM 410 CD2 LEU A 712 39.749 -8.137 7.393 1.00 1.00 C ATOM 0 H LEU A 712 38.809 -8.762 2.718 1.00 1.00 H new ATOM 0 HA LEU A 712 41.453 -9.003 3.675 1.00 1.00 H new ATOM 0 HB2 LEU A 712 39.577 -7.676 4.719 1.00 1.00 H new ATOM 0 HB3 LEU A 712 38.742 -9.168 5.103 1.00 1.00 H new ATOM 0 HG LEU A 712 40.674 -9.890 6.516 1.00 1.00 H new ATOM 0 HD11 LEU A 712 42.451 -8.253 7.055 1.00 1.00 H new ATOM 0 HD12 LEU A 712 42.453 -8.655 5.322 1.00 1.00 H new ATOM 0 HD13 LEU A 712 41.759 -7.113 5.876 1.00 1.00 H new ATOM 0 HD21 LEU A 712 40.308 -8.210 8.326 1.00 1.00 H new ATOM 0 HD22 LEU A 712 39.608 -7.087 7.136 1.00 1.00 H new ATOM 0 HD23 LEU A 712 38.777 -8.615 7.514 1.00 1.00 H new ATOM 422 N LEU A 713 39.595 -11.706 3.979 1.00 1.00 N ATOM 423 CA LEU A 713 39.650 -13.131 4.315 1.00 1.00 C ATOM 424 C LEU A 713 40.666 -13.902 3.480 1.00 1.00 C ATOM 425 O LEU A 713 41.410 -14.731 4.006 1.00 1.00 O ATOM 426 CB LEU A 713 38.266 -13.778 4.156 1.00 1.00 C ATOM 427 CG LEU A 713 37.456 -13.684 5.466 1.00 1.00 C ATOM 428 CD1 LEU A 713 37.968 -14.716 6.478 1.00 1.00 C ATOM 429 CD2 LEU A 713 37.569 -12.285 6.085 1.00 1.00 C ATOM 0 H LEU A 713 38.699 -11.392 3.607 1.00 1.00 H new ATOM 0 HA LEU A 713 39.971 -13.185 5.355 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.721 -13.285 3.351 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.380 -14.823 3.870 1.00 1.00 H new ATOM 0 HG LEU A 713 36.412 -13.883 5.226 1.00 1.00 H new ATOM 0 HD11 LEU A 713 37.389 -14.641 7.399 1.00 1.00 H new ATOM 0 HD12 LEU A 713 37.860 -15.718 6.062 1.00 1.00 H new ATOM 0 HD13 LEU A 713 39.019 -14.524 6.693 1.00 1.00 H new ATOM 0 HD21 LEU A 713 36.989 -12.247 7.007 1.00 1.00 H new ATOM 0 HD22 LEU A 713 38.614 -12.068 6.305 1.00 1.00 H new ATOM 0 HD23 LEU A 713 37.185 -11.545 5.384 1.00 1.00 H new ATOM 441 N ILE A 714 40.716 -13.621 2.184 1.00 1.00 N ATOM 442 CA ILE A 714 41.673 -14.297 1.319 1.00 1.00 C ATOM 443 C ILE A 714 43.089 -13.944 1.767 1.00 1.00 C ATOM 444 O ILE A 714 43.968 -14.803 1.842 1.00 1.00 O ATOM 445 CB ILE A 714 41.457 -13.867 -0.131 1.00 1.00 C ATOM 446 CG1 ILE A 714 40.114 -14.414 -0.615 1.00 1.00 C ATOM 447 CG2 ILE A 714 42.579 -14.425 -1.009 1.00 1.00 C ATOM 448 CD1 ILE A 714 39.722 -13.740 -1.931 1.00 1.00 C ATOM 0 H ILE A 714 40.116 -12.942 1.715 1.00 1.00 H new ATOM 0 HA ILE A 714 41.530 -15.375 1.387 1.00 1.00 H new ATOM 0 HB ILE A 714 41.461 -12.779 -0.195 1.00 1.00 H new ATOM 0 HG12 ILE A 714 40.180 -15.493 -0.754 1.00 1.00 H new ATOM 0 HG13 ILE A 714 39.346 -14.236 0.138 1.00 1.00 H new ATOM 0 HG21 ILE A 714 42.421 -14.116 -2.042 1.00 1.00 H new ATOM 0 HG22 ILE A 714 43.538 -14.044 -0.659 1.00 1.00 H new ATOM 0 HG23 ILE A 714 42.578 -15.514 -0.952 1.00 1.00 H new ATOM 0 HD11 ILE A 714 38.764 -14.134 -2.270 1.00 1.00 H new ATOM 0 HD12 ILE A 714 39.638 -12.664 -1.778 1.00 1.00 H new ATOM 0 HD13 ILE A 714 40.484 -13.941 -2.684 1.00 1.00 H new ATOM 460 N TRP A 715 43.285 -12.668 2.078 1.00 1.00 N ATOM 461 CA TRP A 715 44.606 -12.241 2.532 1.00 1.00 C ATOM 462 C TRP A 715 45.030 -13.094 3.727 1.00 1.00 C ATOM 463 O TRP A 715 46.141 -13.624 3.772 1.00 1.00 O ATOM 464 CB TRP A 715 44.566 -10.762 2.944 1.00 1.00 C ATOM 465 CG TRP A 715 45.928 -10.269 3.376 1.00 1.00 C ATOM 466 CD1 TRP A 715 47.112 -10.921 3.214 1.00 1.00 C ATOM 467 CD2 TRP A 715 46.252 -9.012 4.049 1.00 1.00 C ATOM 468 NE1 TRP A 715 48.128 -10.142 3.738 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.650 -8.959 4.263 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.475 -7.923 4.486 1.00 1.00 C ATOM 471 CZ2 TRP A 715 48.255 -7.868 4.891 1.00 1.00 C ATOM 472 CZ3 TRP A 715 46.081 -6.822 5.118 1.00 1.00 C ATOM 473 CH2 TRP A 715 47.469 -6.796 5.318 1.00 1.00 C ATOM 0 H TRP A 715 42.578 -11.935 2.028 1.00 1.00 H new ATOM 0 HA TRP A 715 45.323 -12.364 1.720 1.00 1.00 H new ATOM 0 HB2 TRP A 715 44.209 -10.160 2.108 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.855 -10.630 3.759 1.00 1.00 H new ATOM 0 HD1 TRP A 715 47.238 -11.889 2.752 1.00 1.00 H new ATOM 0 HE1 TRP A 715 49.112 -10.410 3.736 1.00 1.00 H new ATOM 0 HE3 TRP A 715 44.406 -7.933 4.335 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 49.324 -7.854 5.045 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 45.475 -5.993 5.451 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.929 -5.947 5.802 1.00 1.00 H new ATOM 484 N LYS A 716 44.134 -13.218 4.700 1.00 1.00 N ATOM 485 CA LYS A 716 44.420 -14.000 5.899 1.00 1.00 C ATOM 486 C LYS A 716 44.694 -15.455 5.535 1.00 1.00 C ATOM 487 O LYS A 716 45.587 -16.083 6.104 1.00 1.00 O ATOM 488 CB LYS A 716 43.224 -13.920 6.866 1.00 1.00 C ATOM 489 CG LYS A 716 43.493 -14.631 8.213 1.00 1.00 C ATOM 490 CD LYS A 716 44.281 -13.771 9.234 1.00 1.00 C ATOM 491 CE LYS A 716 45.749 -13.551 8.862 1.00 1.00 C ATOM 492 NZ LYS A 716 46.472 -13.057 10.067 1.00 1.00 N ATOM 0 H LYS A 716 43.208 -12.790 4.683 1.00 1.00 H new ATOM 0 HA LYS A 716 45.307 -13.590 6.382 1.00 1.00 H new ATOM 0 HB2 LYS A 716 42.984 -12.873 7.054 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.350 -14.367 6.393 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.540 -14.920 8.656 1.00 1.00 H new ATOM 0 HG3 LYS A 716 44.048 -15.550 8.023 1.00 1.00 H new ATOM 0 HD2 LYS A 716 43.792 -12.802 9.330 1.00 1.00 H new ATOM 0 HD3 LYS A 716 44.233 -14.251 10.211 1.00 1.00 H new ATOM 0 HE2 LYS A 716 46.194 -14.481 8.508 1.00 1.00 H new ATOM 0 HE3 LYS A 716 45.830 -12.829 8.049 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.473 -12.902 9.832 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 46.048 -12.162 10.384 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.400 -13.762 10.828 1.00 1.00 H new ATOM 506 N LEU A 717 43.935 -15.979 4.583 1.00 1.00 N ATOM 507 CA LEU A 717 44.129 -17.359 4.154 1.00 1.00 C ATOM 508 C LEU A 717 45.537 -17.523 3.595 1.00 1.00 C ATOM 509 O LEU A 717 46.174 -18.546 3.827 1.00 1.00 O ATOM 510 CB LEU A 717 43.070 -17.754 3.116 1.00 1.00 C ATOM 511 CG LEU A 717 41.712 -17.927 3.820 1.00 1.00 C ATOM 512 CD1 LEU A 717 40.594 -18.008 2.780 1.00 1.00 C ATOM 513 CD2 LEU A 717 41.700 -19.213 4.664 1.00 1.00 C ATOM 0 H LEU A 717 43.189 -15.479 4.098 1.00 1.00 H new ATOM 0 HA LEU A 717 44.014 -18.024 5.010 1.00 1.00 H new ATOM 0 HB2 LEU A 717 42.998 -16.989 2.343 1.00 1.00 H new ATOM 0 HB3 LEU A 717 43.357 -18.681 2.620 1.00 1.00 H new ATOM 0 HG LEU A 717 41.554 -17.068 4.472 1.00 1.00 H new ATOM 0 HD11 LEU A 717 39.636 -18.130 3.285 1.00 1.00 H new ATOM 0 HD12 LEU A 717 40.579 -17.092 2.190 1.00 1.00 H new ATOM 0 HD13 LEU A 717 40.769 -18.860 2.123 1.00 1.00 H new ATOM 0 HD21 LEU A 717 40.732 -19.318 5.154 1.00 1.00 H new ATOM 0 HD22 LEU A 717 41.875 -20.074 4.018 1.00 1.00 H new ATOM 0 HD23 LEU A 717 42.485 -19.160 5.419 1.00 1.00 H new ATOM 525 N LEU A 718 46.024 -16.532 2.854 1.00 1.00 N ATOM 526 CA LEU A 718 47.366 -16.635 2.281 1.00 1.00 C ATOM 527 C LEU A 718 48.430 -16.748 3.378 1.00 1.00 C ATOM 528 O LEU A 718 49.266 -17.650 3.357 1.00 1.00 O ATOM 529 CB LEU A 718 47.657 -15.405 1.415 1.00 1.00 C ATOM 530 CG LEU A 718 46.758 -15.417 0.171 1.00 1.00 C ATOM 531 CD1 LEU A 718 46.902 -14.089 -0.577 1.00 1.00 C ATOM 532 CD2 LEU A 718 47.158 -16.564 -0.768 1.00 1.00 C ATOM 0 H LEU A 718 45.526 -15.668 2.639 1.00 1.00 H new ATOM 0 HA LEU A 718 47.403 -17.536 1.669 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.484 -14.495 1.990 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.705 -15.399 1.117 1.00 1.00 H new ATOM 0 HG LEU A 718 45.725 -15.558 0.489 1.00 1.00 H new ATOM 0 HD11 LEU A 718 46.263 -14.098 -1.460 1.00 1.00 H new ATOM 0 HD12 LEU A 718 46.605 -13.269 0.077 1.00 1.00 H new ATOM 0 HD13 LEU A 718 47.940 -13.953 -0.881 1.00 1.00 H new ATOM 0 HD21 LEU A 718 46.511 -16.559 -1.645 1.00 1.00 H new ATOM 0 HD22 LEU A 718 48.194 -16.434 -1.081 1.00 1.00 H new ATOM 0 HD23 LEU A 718 47.053 -17.515 -0.246 1.00 1.00 H new ATOM 544 N ILE A 719 48.408 -15.808 4.317 1.00 1.00 N ATOM 545 CA ILE A 719 49.375 -15.772 5.417 1.00 1.00 C ATOM 546 C ILE A 719 49.168 -16.893 6.440 1.00 1.00 C ATOM 547 O ILE A 719 50.138 -17.496 6.897 1.00 1.00 O ATOM 548 CB ILE A 719 49.298 -14.416 6.128 1.00 1.00 C ATOM 549 CG1 ILE A 719 49.841 -13.322 5.203 1.00 1.00 C ATOM 550 CG2 ILE A 719 50.130 -14.450 7.414 1.00 1.00 C ATOM 551 CD1 ILE A 719 49.467 -11.946 5.762 1.00 1.00 C ATOM 0 H ILE A 719 47.724 -15.051 4.341 1.00 1.00 H new ATOM 0 HA ILE A 719 50.359 -15.921 4.974 1.00 1.00 H new ATOM 0 HB ILE A 719 48.258 -14.205 6.378 1.00 1.00 H new ATOM 0 HG12 ILE A 719 50.924 -13.409 5.117 1.00 1.00 H new ATOM 0 HG13 ILE A 719 49.431 -13.442 4.200 1.00 1.00 H new ATOM 0 HG21 ILE A 719 50.069 -13.482 7.912 1.00 1.00 H new ATOM 0 HG22 ILE A 719 49.744 -15.224 8.077 1.00 1.00 H new ATOM 0 HG23 ILE A 719 51.170 -14.667 7.169 1.00 1.00 H new ATOM 0 HD11 ILE A 719 49.854 -11.168 5.103 1.00 1.00 H new ATOM 0 HD12 ILE A 719 48.382 -11.862 5.825 1.00 1.00 H new ATOM 0 HD13 ILE A 719 49.899 -11.827 6.756 1.00 1.00 H new