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 78:sc= 0.799 USER MOD Single : A 701 MET CE :methyl 153:sc= -0.147 (180deg=-1.06) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 131 N LEU A 694 17.092 5.952 -0.917 1.00 1.00 N ATOM 132 CA LEU A 694 17.707 5.307 0.236 1.00 1.00 C ATOM 133 C LEU A 694 18.080 3.862 -0.074 1.00 1.00 C ATOM 134 O LEU A 694 19.140 3.386 0.327 1.00 1.00 O ATOM 135 CB LEU A 694 16.737 5.321 1.421 1.00 1.00 C ATOM 136 CG LEU A 694 16.574 6.748 1.951 1.00 1.00 C ATOM 137 CD1 LEU A 694 15.461 6.769 2.998 1.00 1.00 C ATOM 138 CD2 LEU A 694 17.882 7.232 2.588 1.00 1.00 C ATOM 0 HA LEU A 694 18.613 5.861 0.483 1.00 1.00 H new ATOM 0 HB2 LEU A 694 15.769 4.926 1.113 1.00 1.00 H new ATOM 0 HB3 LEU A 694 17.109 4.671 2.213 1.00 1.00 H new ATOM 0 HG LEU A 694 16.320 7.410 1.123 1.00 1.00 H new ATOM 0 HD11 LEU A 694 15.340 7.783 3.380 1.00 1.00 H new ATOM 0 HD12 LEU A 694 14.527 6.438 2.543 1.00 1.00 H new ATOM 0 HD13 LEU A 694 15.721 6.101 3.819 1.00 1.00 H new ATOM 0 HD21 LEU A 694 17.751 8.248 2.960 1.00 1.00 H new ATOM 0 HD22 LEU A 694 18.149 6.574 3.415 1.00 1.00 H new ATOM 0 HD23 LEU A 694 18.677 7.218 1.842 1.00 1.00 H new ATOM 150 N VAL A 695 17.192 3.161 -0.770 1.00 1.00 N ATOM 151 CA VAL A 695 17.409 1.761 -1.111 1.00 1.00 C ATOM 152 C VAL A 695 18.642 1.565 -1.981 1.00 1.00 C ATOM 153 O VAL A 695 19.439 0.660 -1.736 1.00 1.00 O ATOM 154 CB VAL A 695 16.188 1.240 -1.858 1.00 1.00 C ATOM 155 CG1 VAL A 695 16.490 -0.151 -2.418 1.00 1.00 C ATOM 156 CG2 VAL A 695 14.998 1.165 -0.900 1.00 1.00 C ATOM 0 H VAL A 695 16.310 3.543 -1.111 1.00 1.00 H new ATOM 0 HA VAL A 695 17.566 1.212 -0.183 1.00 1.00 H new ATOM 0 HB VAL A 695 15.946 1.914 -2.679 1.00 1.00 H new ATOM 0 HG11 VAL A 695 15.617 -0.525 -2.953 1.00 1.00 H new ATOM 0 HG12 VAL A 695 17.337 -0.092 -3.102 1.00 1.00 H new ATOM 0 HG13 VAL A 695 16.732 -0.828 -1.599 1.00 1.00 H new ATOM 0 HG21 VAL A 695 14.124 0.792 -1.434 1.00 1.00 H new ATOM 0 HG22 VAL A 695 15.235 0.491 -0.077 1.00 1.00 H new ATOM 0 HG23 VAL A 695 14.786 2.159 -0.505 1.00 1.00 H new ATOM 166 N VAL A 696 18.797 2.409 -2.992 1.00 1.00 N ATOM 167 CA VAL A 696 19.950 2.283 -3.868 1.00 1.00 C ATOM 168 C VAL A 696 21.227 2.490 -3.066 1.00 1.00 C ATOM 169 O VAL A 696 22.181 1.721 -3.178 1.00 1.00 O ATOM 170 CB VAL A 696 19.878 3.304 -5.007 1.00 1.00 C ATOM 171 CG1 VAL A 696 21.204 3.302 -5.770 1.00 1.00 C ATOM 172 CG2 VAL A 696 18.744 2.924 -5.963 1.00 1.00 C ATOM 0 H VAL A 696 18.157 3.169 -3.221 1.00 1.00 H new ATOM 0 HA VAL A 696 19.951 1.283 -4.302 1.00 1.00 H new ATOM 0 HB VAL A 696 19.691 4.296 -4.596 1.00 1.00 H new ATOM 0 HG11 VAL A 696 21.158 4.028 -6.582 1.00 1.00 H new ATOM 0 HG12 VAL A 696 22.015 3.568 -5.092 1.00 1.00 H new ATOM 0 HG13 VAL A 696 21.386 2.309 -6.181 1.00 1.00 H new ATOM 0 HG21 VAL A 696 18.693 3.651 -6.774 1.00 1.00 H new ATOM 0 HG22 VAL A 696 18.933 1.933 -6.376 1.00 1.00 H new ATOM 0 HG23 VAL A 696 17.798 2.917 -5.421 1.00 1.00 H new ATOM 182 N LEU A 697 21.234 3.542 -2.254 1.00 1.00 N ATOM 183 CA LEU A 697 22.401 3.846 -1.435 1.00 1.00 C ATOM 184 C LEU A 697 22.653 2.735 -0.408 1.00 1.00 C ATOM 185 O LEU A 697 23.798 2.342 -0.185 1.00 1.00 O ATOM 186 CB LEU A 697 22.207 5.190 -0.725 1.00 1.00 C ATOM 187 CG LEU A 697 22.193 6.328 -1.759 1.00 1.00 C ATOM 188 CD1 LEU A 697 21.838 7.646 -1.067 1.00 1.00 C ATOM 189 CD2 LEU A 697 23.568 6.465 -2.425 1.00 1.00 C ATOM 0 H LEU A 697 20.455 4.191 -2.146 1.00 1.00 H new ATOM 0 HA LEU A 697 23.272 3.910 -2.087 1.00 1.00 H new ATOM 0 HB2 LEU A 697 21.272 5.184 -0.165 1.00 1.00 H new ATOM 0 HB3 LEU A 697 23.009 5.350 -0.005 1.00 1.00 H new ATOM 0 HG LEU A 697 21.449 6.096 -2.521 1.00 1.00 H new ATOM 0 HD11 LEU A 697 21.829 8.451 -1.801 1.00 1.00 H new ATOM 0 HD12 LEU A 697 20.853 7.562 -0.608 1.00 1.00 H new ATOM 0 HD13 LEU A 697 22.579 7.865 -0.298 1.00 1.00 H new ATOM 0 HD21 LEU A 697 23.540 7.275 -3.154 1.00 1.00 H new ATOM 0 HD22 LEU A 697 24.319 6.685 -1.667 1.00 1.00 H new ATOM 0 HD23 LEU A 697 23.823 5.532 -2.928 1.00 1.00 H new ATOM 201 N LEU A 698 21.583 2.232 0.219 1.00 1.00 N ATOM 202 CA LEU A 698 21.724 1.168 1.217 1.00 1.00 C ATOM 203 C LEU A 698 22.314 -0.082 0.576 1.00 1.00 C ATOM 204 O LEU A 698 23.161 -0.757 1.162 1.00 1.00 O ATOM 205 CB LEU A 698 20.369 0.821 1.852 1.00 1.00 C ATOM 206 CG LEU A 698 19.998 1.874 2.908 1.00 1.00 C ATOM 207 CD1 LEU A 698 18.553 1.656 3.359 1.00 1.00 C ATOM 208 CD2 LEU A 698 20.921 1.763 4.131 1.00 1.00 C ATOM 0 H LEU A 698 20.624 2.540 0.056 1.00 1.00 H new ATOM 0 HA LEU A 698 22.394 1.531 1.997 1.00 1.00 H new ATOM 0 HB2 LEU A 698 19.598 0.778 1.083 1.00 1.00 H new ATOM 0 HB3 LEU A 698 20.416 -0.166 2.312 1.00 1.00 H new ATOM 0 HG LEU A 698 20.111 2.863 2.464 1.00 1.00 H new ATOM 0 HD11 LEU A 698 18.289 2.403 4.108 1.00 1.00 H new ATOM 0 HD12 LEU A 698 17.886 1.750 2.502 1.00 1.00 H new ATOM 0 HD13 LEU A 698 18.452 0.659 3.789 1.00 1.00 H new ATOM 0 HD21 LEU A 698 20.642 2.517 4.867 1.00 1.00 H new ATOM 0 HD22 LEU A 698 20.823 0.771 4.572 1.00 1.00 H new ATOM 0 HD23 LEU A 698 21.954 1.922 3.823 1.00 1.00 H new ATOM 220 N SER A 699 21.874 -0.370 -0.647 1.00 1.00 N ATOM 221 CA SER A 699 22.371 -1.523 -1.381 1.00 1.00 C ATOM 222 C SER A 699 23.848 -1.334 -1.700 1.00 1.00 C ATOM 223 O SER A 699 24.636 -2.277 -1.622 1.00 1.00 O ATOM 224 CB SER A 699 21.582 -1.705 -2.680 1.00 1.00 C ATOM 225 OG SER A 699 20.227 -2.006 -2.373 1.00 1.00 O ATOM 0 H SER A 699 21.176 0.180 -1.147 1.00 1.00 H new ATOM 0 HA SER A 699 22.245 -2.413 -0.764 1.00 1.00 H new ATOM 0 HB2 SER A 699 21.637 -0.798 -3.282 1.00 1.00 H new ATOM 0 HB3 SER A 699 22.019 -2.508 -3.274 1.00 1.00 H new ATOM 0 HG SER A 699 19.759 -1.184 -2.116 1.00 1.00 H new ATOM 231 N VAL A 700 24.211 -0.105 -2.058 1.00 1.00 N ATOM 232 CA VAL A 700 25.595 0.206 -2.388 1.00 1.00 C ATOM 233 C VAL A 700 26.508 0.011 -1.181 1.00 1.00 C ATOM 234 O VAL A 700 27.582 -0.579 -1.298 1.00 1.00 O ATOM 235 CB VAL A 700 25.695 1.650 -2.878 1.00 1.00 C ATOM 236 CG1 VAL A 700 27.166 2.048 -3.007 1.00 1.00 C ATOM 237 CG2 VAL A 700 25.013 1.766 -4.244 1.00 1.00 C ATOM 0 H VAL A 700 23.570 0.685 -2.126 1.00 1.00 H new ATOM 0 HA VAL A 700 25.918 -0.475 -3.175 1.00 1.00 H new ATOM 0 HB VAL A 700 25.204 2.312 -2.165 1.00 1.00 H new ATOM 0 HG11 VAL A 700 27.235 3.078 -3.357 1.00 1.00 H new ATOM 0 HG12 VAL A 700 27.653 1.961 -2.036 1.00 1.00 H new ATOM 0 HG13 VAL A 700 27.660 1.389 -3.721 1.00 1.00 H new ATOM 0 HG21 VAL A 700 25.081 2.794 -4.599 1.00 1.00 H new ATOM 0 HG22 VAL A 700 25.507 1.104 -4.955 1.00 1.00 H new ATOM 0 HG23 VAL A 700 23.964 1.483 -4.152 1.00 1.00 H new ATOM 247 N MET A 701 26.095 0.541 -0.032 1.00 1.00 N ATOM 248 CA MET A 701 26.906 0.451 1.178 1.00 1.00 C ATOM 249 C MET A 701 27.112 -0.994 1.619 1.00 1.00 C ATOM 250 O MET A 701 28.215 -1.373 2.014 1.00 1.00 O ATOM 251 CB MET A 701 26.235 1.238 2.304 1.00 1.00 C ATOM 252 CG MET A 701 26.456 2.734 2.075 1.00 1.00 C ATOM 253 SD MET A 701 25.600 3.682 3.361 1.00 1.00 S ATOM 254 CE MET A 701 26.614 3.152 4.764 1.00 1.00 C ATOM 0 H MET A 701 25.210 1.034 0.086 1.00 1.00 H new ATOM 0 HA MET A 701 27.885 0.874 0.954 1.00 1.00 H new ATOM 0 HB2 MET A 701 25.168 1.016 2.333 1.00 1.00 H new ATOM 0 HB3 MET A 701 26.648 0.941 3.268 1.00 1.00 H new ATOM 0 HG2 MET A 701 27.522 2.961 2.091 1.00 1.00 H new ATOM 0 HG3 MET A 701 26.085 3.020 1.091 1.00 1.00 H new ATOM 0 HE1 MET A 701 26.602 3.924 5.534 1.00 1.00 H new ATOM 0 HE2 MET A 701 26.213 2.225 5.173 1.00 1.00 H new ATOM 0 HE3 MET A 701 27.639 2.988 4.431 1.00 1.00 H new ATOM 264 N GLY A 702 26.055 -1.797 1.554 1.00 1.00 N ATOM 265 CA GLY A 702 26.154 -3.194 1.962 1.00 1.00 C ATOM 266 C GLY A 702 27.053 -3.986 1.018 1.00 1.00 C ATOM 267 O GLY A 702 27.863 -4.802 1.459 1.00 1.00 O ATOM 0 H GLY A 702 25.132 -1.510 1.228 1.00 1.00 H new ATOM 0 HA2 GLY A 702 26.548 -3.251 2.976 1.00 1.00 H new ATOM 0 HA3 GLY A 702 25.160 -3.641 1.981 1.00 1.00 H new ATOM 271 N ALA A 703 26.882 -3.767 -0.281 1.00 1.00 N ATOM 272 CA ALA A 703 27.659 -4.492 -1.279 1.00 1.00 C ATOM 273 C ALA A 703 29.162 -4.302 -1.088 1.00 1.00 C ATOM 274 O ALA A 703 29.933 -5.261 -1.124 1.00 1.00 O ATOM 275 CB ALA A 703 27.267 -4.011 -2.677 1.00 1.00 C ATOM 0 H ALA A 703 26.216 -3.097 -0.666 1.00 1.00 H new ATOM 0 HA ALA A 703 27.438 -5.553 -1.161 1.00 1.00 H new ATOM 0 HB1 ALA A 703 27.847 -4.552 -3.424 1.00 1.00 H new ATOM 0 HB2 ALA A 703 26.205 -4.194 -2.840 1.00 1.00 H new ATOM 0 HB3 ALA A 703 27.469 -2.943 -2.764 1.00 1.00 H new ATOM 281 N ILE A 704 29.561 -3.051 -0.896 1.00 1.00 N ATOM 282 CA ILE A 704 30.972 -2.725 -0.711 1.00 1.00 C ATOM 283 C ILE A 704 31.528 -3.377 0.557 1.00 1.00 C ATOM 284 O ILE A 704 32.640 -3.907 0.554 1.00 1.00 O ATOM 285 CB ILE A 704 31.149 -1.206 -0.624 1.00 1.00 C ATOM 286 CG1 ILE A 704 30.796 -0.577 -1.977 1.00 1.00 C ATOM 287 CG2 ILE A 704 32.604 -0.878 -0.276 1.00 1.00 C ATOM 288 CD1 ILE A 704 30.706 0.944 -1.832 1.00 1.00 C ATOM 0 H ILE A 704 28.932 -2.248 -0.864 1.00 1.00 H new ATOM 0 HA ILE A 704 31.523 -3.112 -1.568 1.00 1.00 H new ATOM 0 HB ILE A 704 30.493 -0.807 0.149 1.00 1.00 H new ATOM 0 HG12 ILE A 704 31.552 -0.837 -2.718 1.00 1.00 H new ATOM 0 HG13 ILE A 704 29.847 -0.974 -2.337 1.00 1.00 H new ATOM 0 HG21 ILE A 704 32.729 0.203 -0.214 1.00 1.00 H new ATOM 0 HG22 ILE A 704 32.859 -1.328 0.684 1.00 1.00 H new ATOM 0 HG23 ILE A 704 33.262 -1.276 -1.049 1.00 1.00 H new ATOM 0 HD11 ILE A 704 30.455 1.387 -2.796 1.00 1.00 H new ATOM 0 HD12 ILE A 704 29.934 1.195 -1.105 1.00 1.00 H new ATOM 0 HD13 ILE A 704 31.665 1.334 -1.492 1.00 1.00 H new ATOM 300 N LEU A 705 30.757 -3.324 1.642 1.00 1.00 N ATOM 301 CA LEU A 705 31.195 -3.895 2.917 1.00 1.00 C ATOM 302 C LEU A 705 31.392 -5.408 2.825 1.00 1.00 C ATOM 303 O LEU A 705 32.396 -5.932 3.305 1.00 1.00 O ATOM 304 CB LEU A 705 30.157 -3.577 4.005 1.00 1.00 C ATOM 305 CG LEU A 705 30.615 -4.110 5.373 1.00 1.00 C ATOM 306 CD1 LEU A 705 31.939 -3.460 5.781 1.00 1.00 C ATOM 307 CD2 LEU A 705 29.555 -3.776 6.425 1.00 1.00 C ATOM 0 H LEU A 705 29.832 -2.895 1.666 1.00 1.00 H new ATOM 0 HA LEU A 705 32.156 -3.448 3.171 1.00 1.00 H new ATOM 0 HB2 LEU A 705 30.003 -2.499 4.063 1.00 1.00 H new ATOM 0 HB3 LEU A 705 29.198 -4.022 3.739 1.00 1.00 H new ATOM 0 HG LEU A 705 30.752 -5.189 5.303 1.00 1.00 H new ATOM 0 HD11 LEU A 705 32.251 -3.847 6.751 1.00 1.00 H new ATOM 0 HD12 LEU A 705 32.702 -3.690 5.037 1.00 1.00 H new ATOM 0 HD13 LEU A 705 31.809 -2.380 5.846 1.00 1.00 H new ATOM 0 HD21 LEU A 705 29.875 -4.152 7.397 1.00 1.00 H new ATOM 0 HD22 LEU A 705 29.424 -2.695 6.479 1.00 1.00 H new ATOM 0 HD23 LEU A 705 28.609 -4.243 6.149 1.00 1.00 H new ATOM 319 N LEU A 706 30.444 -6.114 2.219 1.00 1.00 N ATOM 320 CA LEU A 706 30.564 -7.563 2.103 1.00 1.00 C ATOM 321 C LEU A 706 31.755 -7.970 1.237 1.00 1.00 C ATOM 322 O LEU A 706 32.491 -8.902 1.563 1.00 1.00 O ATOM 323 CB LEU A 706 29.274 -8.175 1.537 1.00 1.00 C ATOM 324 CG LEU A 706 28.321 -8.568 2.682 1.00 1.00 C ATOM 325 CD1 LEU A 706 28.894 -9.762 3.457 1.00 1.00 C ATOM 326 CD2 LEU A 706 28.136 -7.393 3.646 1.00 1.00 C ATOM 0 H LEU A 706 29.599 -5.717 1.808 1.00 1.00 H new ATOM 0 HA LEU A 706 30.732 -7.949 3.108 1.00 1.00 H new ATOM 0 HB2 LEU A 706 28.784 -7.460 0.876 1.00 1.00 H new ATOM 0 HB3 LEU A 706 29.513 -9.053 0.936 1.00 1.00 H new ATOM 0 HG LEU A 706 27.358 -8.838 2.249 1.00 1.00 H new ATOM 0 HD11 LEU A 706 28.213 -10.032 4.264 1.00 1.00 H new ATOM 0 HD12 LEU A 706 29.012 -10.610 2.783 1.00 1.00 H new ATOM 0 HD13 LEU A 706 29.864 -9.493 3.875 1.00 1.00 H new ATOM 0 HD21 LEU A 706 27.460 -7.685 4.450 1.00 1.00 H new ATOM 0 HD22 LEU A 706 29.101 -7.112 4.067 1.00 1.00 H new ATOM 0 HD23 LEU A 706 27.714 -6.544 3.108 1.00 1.00 H new ATOM 338 N ILE A 707 31.937 -7.248 0.137 1.00 1.00 N ATOM 339 CA ILE A 707 33.047 -7.521 -0.770 1.00 1.00 C ATOM 340 C ILE A 707 34.386 -7.272 -0.068 1.00 1.00 C ATOM 341 O ILE A 707 35.324 -8.057 -0.191 1.00 1.00 O ATOM 342 CB ILE A 707 32.939 -6.626 -2.004 1.00 1.00 C ATOM 343 CG1 ILE A 707 31.708 -7.032 -2.817 1.00 1.00 C ATOM 344 CG2 ILE A 707 34.193 -6.798 -2.858 1.00 1.00 C ATOM 345 CD1 ILE A 707 31.350 -5.921 -3.807 1.00 1.00 C ATOM 0 H ILE A 707 31.336 -6.475 -0.147 1.00 1.00 H new ATOM 0 HA ILE A 707 32.999 -8.567 -1.074 1.00 1.00 H new ATOM 0 HB ILE A 707 32.844 -5.584 -1.698 1.00 1.00 H new ATOM 0 HG12 ILE A 707 31.905 -7.960 -3.354 1.00 1.00 H new ATOM 0 HG13 ILE A 707 30.867 -7.222 -2.150 1.00 1.00 H new ATOM 0 HG21 ILE A 707 34.122 -6.162 -3.740 1.00 1.00 H new ATOM 0 HG22 ILE A 707 35.071 -6.516 -2.277 1.00 1.00 H new ATOM 0 HG23 ILE A 707 34.282 -7.839 -3.168 1.00 1.00 H new ATOM 0 HD11 ILE A 707 30.473 -6.216 -4.383 1.00 1.00 H new ATOM 0 HD12 ILE A 707 31.134 -5.003 -3.261 1.00 1.00 H new ATOM 0 HD13 ILE A 707 32.188 -5.752 -4.483 1.00 1.00 H new ATOM 357 N GLY A 708 34.451 -6.165 0.669 1.00 1.00 N ATOM 358 CA GLY A 708 35.671 -5.813 1.396 1.00 1.00 C ATOM 359 C GLY A 708 36.022 -6.910 2.403 1.00 1.00 C ATOM 360 O GLY A 708 37.190 -7.253 2.586 1.00 1.00 O ATOM 0 H GLY A 708 33.683 -5.502 0.779 1.00 1.00 H new ATOM 0 HA2 GLY A 708 36.494 -5.676 0.695 1.00 1.00 H new ATOM 0 HA3 GLY A 708 35.533 -4.864 1.914 1.00 1.00 H new ATOM 364 N LEU A 709 34.993 -7.444 3.050 1.00 1.00 N ATOM 365 CA LEU A 709 35.190 -8.497 4.044 1.00 1.00 C ATOM 366 C LEU A 709 35.813 -9.726 3.388 1.00 1.00 C ATOM 367 O LEU A 709 36.719 -10.345 3.944 1.00 1.00 O ATOM 368 CB LEU A 709 33.840 -8.871 4.674 1.00 1.00 C ATOM 369 CG LEU A 709 34.032 -9.953 5.748 1.00 1.00 C ATOM 370 CD1 LEU A 709 34.907 -9.415 6.885 1.00 1.00 C ATOM 371 CD2 LEU A 709 32.666 -10.357 6.313 1.00 1.00 C ATOM 0 H LEU A 709 34.021 -7.170 2.908 1.00 1.00 H new ATOM 0 HA LEU A 709 35.862 -8.133 4.821 1.00 1.00 H new ATOM 0 HB2 LEU A 709 33.381 -7.987 5.117 1.00 1.00 H new ATOM 0 HB3 LEU A 709 33.159 -9.232 3.903 1.00 1.00 H new ATOM 0 HG LEU A 709 34.519 -10.818 5.298 1.00 1.00 H new ATOM 0 HD11 LEU A 709 35.037 -10.189 7.641 1.00 1.00 H new ATOM 0 HD12 LEU A 709 35.881 -9.127 6.489 1.00 1.00 H new ATOM 0 HD13 LEU A 709 34.426 -8.546 7.334 1.00 1.00 H new ATOM 0 HD21 LEU A 709 32.800 -11.125 7.075 1.00 1.00 H new ATOM 0 HD22 LEU A 709 32.184 -9.486 6.756 1.00 1.00 H new ATOM 0 HD23 LEU A 709 32.041 -10.748 5.510 1.00 1.00 H new ATOM 383 N ALA A 710 35.323 -10.068 2.205 1.00 1.00 N ATOM 384 CA ALA A 710 35.841 -11.228 1.484 1.00 1.00 C ATOM 385 C ALA A 710 37.327 -11.053 1.191 1.00 1.00 C ATOM 386 O ALA A 710 38.097 -12.013 1.234 1.00 1.00 O ATOM 387 CB ALA A 710 35.081 -11.405 0.166 1.00 1.00 C ATOM 0 H ALA A 710 34.575 -9.567 1.726 1.00 1.00 H new ATOM 0 HA ALA A 710 35.703 -12.112 2.107 1.00 1.00 H new ATOM 0 HB1 ALA A 710 35.473 -12.272 -0.366 1.00 1.00 H new ATOM 0 HB2 ALA A 710 34.022 -11.555 0.374 1.00 1.00 H new ATOM 0 HB3 ALA A 710 35.207 -10.514 -0.449 1.00 1.00 H new ATOM 393 N ALA A 711 37.714 -9.823 0.884 1.00 1.00 N ATOM 394 CA ALA A 711 39.111 -9.533 0.566 1.00 1.00 C ATOM 395 C ALA A 711 40.049 -9.837 1.742 1.00 1.00 C ATOM 396 O ALA A 711 41.099 -10.453 1.560 1.00 1.00 O ATOM 397 CB ALA A 711 39.253 -8.063 0.171 1.00 1.00 C ATOM 0 H ALA A 711 37.091 -9.016 0.848 1.00 1.00 H new ATOM 0 HA ALA A 711 39.399 -10.179 -0.263 1.00 1.00 H new ATOM 0 HB1 ALA A 711 40.295 -7.849 -0.066 1.00 1.00 H new ATOM 0 HB2 ALA A 711 38.633 -7.859 -0.702 1.00 1.00 H new ATOM 0 HB3 ALA A 711 38.932 -7.431 0.999 1.00 1.00 H new ATOM 403 N LEU A 712 39.677 -9.388 2.942 1.00 1.00 N ATOM 404 CA LEU A 712 40.514 -9.606 4.129 1.00 1.00 C ATOM 405 C LEU A 712 40.668 -11.085 4.475 1.00 1.00 C ATOM 406 O LEU A 712 41.754 -11.531 4.848 1.00 1.00 O ATOM 407 CB LEU A 712 39.934 -8.864 5.337 1.00 1.00 C ATOM 408 CG LEU A 712 40.480 -7.433 5.388 1.00 1.00 C ATOM 409 CD1 LEU A 712 40.220 -6.724 4.059 1.00 1.00 C ATOM 410 CD2 LEU A 712 39.778 -6.664 6.511 1.00 1.00 C ATOM 0 H LEU A 712 38.812 -8.877 3.120 1.00 1.00 H new ATOM 0 HA LEU A 712 41.502 -9.214 3.888 1.00 1.00 H new ATOM 0 HB2 LEU A 712 38.846 -8.844 5.273 1.00 1.00 H new ATOM 0 HB3 LEU A 712 40.190 -9.392 6.255 1.00 1.00 H new ATOM 0 HG LEU A 712 41.554 -7.468 5.573 1.00 1.00 H new ATOM 0 HD11 LEU A 712 40.612 -5.708 4.106 1.00 1.00 H new ATOM 0 HD12 LEU A 712 40.715 -7.267 3.254 1.00 1.00 H new ATOM 0 HD13 LEU A 712 39.147 -6.691 3.868 1.00 1.00 H new ATOM 0 HD21 LEU A 712 40.164 -5.645 6.551 1.00 1.00 H new ATOM 0 HD22 LEU A 712 38.705 -6.639 6.319 1.00 1.00 H new ATOM 0 HD23 LEU A 712 39.965 -7.160 7.464 1.00 1.00 H new ATOM 422 N LEU A 713 39.578 -11.844 4.369 1.00 1.00 N ATOM 423 CA LEU A 713 39.626 -13.264 4.701 1.00 1.00 C ATOM 424 C LEU A 713 40.574 -14.030 3.793 1.00 1.00 C ATOM 425 O LEU A 713 41.372 -14.843 4.258 1.00 1.00 O ATOM 426 CB LEU A 713 38.226 -13.879 4.619 1.00 1.00 C ATOM 427 CG LEU A 713 37.539 -13.792 5.986 1.00 1.00 C ATOM 428 CD1 LEU A 713 37.577 -12.355 6.509 1.00 1.00 C ATOM 429 CD2 LEU A 713 36.083 -14.241 5.845 1.00 1.00 C ATOM 0 H LEU A 713 38.666 -11.506 4.061 1.00 1.00 H new ATOM 0 HA LEU A 713 40.002 -13.343 5.721 1.00 1.00 H new ATOM 0 HB2 LEU A 713 37.632 -13.355 3.870 1.00 1.00 H new ATOM 0 HB3 LEU A 713 38.294 -14.920 4.302 1.00 1.00 H new ATOM 0 HG LEU A 713 38.063 -14.438 6.690 1.00 1.00 H new ATOM 0 HD11 LEU A 713 37.085 -12.308 7.481 1.00 1.00 H new ATOM 0 HD12 LEU A 713 38.613 -12.032 6.611 1.00 1.00 H new ATOM 0 HD13 LEU A 713 37.060 -11.699 5.809 1.00 1.00 H new ATOM 0 HD21 LEU A 713 35.588 -14.181 6.814 1.00 1.00 H new ATOM 0 HD22 LEU A 713 35.569 -13.593 5.135 1.00 1.00 H new ATOM 0 HD23 LEU A 713 36.053 -15.269 5.485 1.00 1.00 H new ATOM 441 N ILE A 714 40.510 -13.741 2.497 1.00 1.00 N ATOM 442 CA ILE A 714 41.406 -14.391 1.556 1.00 1.00 C ATOM 443 C ILE A 714 42.840 -13.988 1.885 1.00 1.00 C ATOM 444 O ILE A 714 43.740 -14.823 1.906 1.00 1.00 O ATOM 445 CB ILE A 714 41.074 -13.986 0.115 1.00 1.00 C ATOM 446 CG1 ILE A 714 39.712 -14.563 -0.291 1.00 1.00 C ATOM 447 CG2 ILE A 714 42.162 -14.532 -0.814 1.00 1.00 C ATOM 448 CD1 ILE A 714 39.276 -13.964 -1.634 1.00 1.00 C ATOM 0 H ILE A 714 39.859 -13.074 2.083 1.00 1.00 H new ATOM 0 HA ILE A 714 41.288 -15.471 1.641 1.00 1.00 H new ATOM 0 HB ILE A 714 41.031 -12.899 0.040 1.00 1.00 H new ATOM 0 HG12 ILE A 714 39.775 -15.648 -0.369 1.00 1.00 H new ATOM 0 HG13 ILE A 714 38.969 -14.341 0.475 1.00 1.00 H new ATOM 0 HG21 ILE A 714 41.937 -14.250 -1.843 1.00 1.00 H new ATOM 0 HG22 ILE A 714 43.128 -14.116 -0.527 1.00 1.00 H new ATOM 0 HG23 ILE A 714 42.197 -15.619 -0.735 1.00 1.00 H new ATOM 0 HD11 ILE A 714 38.308 -14.376 -1.919 1.00 1.00 H new ATOM 0 HD12 ILE A 714 39.196 -12.881 -1.540 1.00 1.00 H new ATOM 0 HD13 ILE A 714 40.014 -14.209 -2.398 1.00 1.00 H new ATOM 460 N TRP A 715 43.036 -12.698 2.153 1.00 1.00 N ATOM 461 CA TRP A 715 44.382 -12.233 2.485 1.00 1.00 C ATOM 462 C TRP A 715 44.925 -13.070 3.648 1.00 1.00 C ATOM 463 O TRP A 715 46.046 -13.576 3.596 1.00 1.00 O ATOM 464 CB TRP A 715 44.343 -10.745 2.880 1.00 1.00 C ATOM 465 CG TRP A 715 45.726 -10.203 3.154 1.00 1.00 C ATOM 466 CD1 TRP A 715 46.905 -10.819 2.870 1.00 1.00 C ATOM 467 CD2 TRP A 715 46.081 -8.935 3.789 1.00 1.00 C ATOM 468 NE1 TRP A 715 47.946 -10.003 3.272 1.00 1.00 N ATOM 469 CE2 TRP A 715 47.492 -8.835 3.846 1.00 1.00 C ATOM 470 CE3 TRP A 715 45.323 -7.869 4.309 1.00 1.00 C ATOM 471 CZ2 TRP A 715 48.127 -7.722 4.402 1.00 1.00 C ATOM 472 CZ3 TRP A 715 45.959 -6.749 4.870 1.00 1.00 C ATOM 473 CH2 TRP A 715 47.358 -6.675 4.915 1.00 1.00 C ATOM 0 H TRP A 715 42.311 -11.980 2.148 1.00 1.00 H new ATOM 0 HA TRP A 715 45.033 -12.345 1.618 1.00 1.00 H new ATOM 0 HB2 TRP A 715 43.878 -10.168 2.080 1.00 1.00 H new ATOM 0 HB3 TRP A 715 43.721 -10.620 3.766 1.00 1.00 H new ATOM 0 HD1 TRP A 715 47.011 -11.788 2.406 1.00 1.00 H new ATOM 0 HE1 TRP A 715 48.932 -10.237 3.158 1.00 1.00 H new ATOM 0 HE3 TRP A 715 44.244 -7.912 4.276 1.00 1.00 H new ATOM 0 HZ2 TRP A 715 49.205 -7.671 4.435 1.00 1.00 H new ATOM 0 HZ3 TRP A 715 45.366 -5.940 5.269 1.00 1.00 H new ATOM 0 HH2 TRP A 715 47.840 -5.810 5.346 1.00 1.00 H new ATOM 484 N LYS A 716 44.109 -13.204 4.697 1.00 1.00 N ATOM 485 CA LYS A 716 44.490 -13.975 5.886 1.00 1.00 C ATOM 486 C LYS A 716 44.701 -15.444 5.521 1.00 1.00 C ATOM 487 O LYS A 716 45.580 -16.106 6.070 1.00 1.00 O ATOM 488 CB LYS A 716 43.373 -13.880 6.948 1.00 1.00 C ATOM 489 CG LYS A 716 43.790 -14.462 8.325 1.00 1.00 C ATOM 490 CD LYS A 716 44.596 -13.478 9.226 1.00 1.00 C ATOM 491 CE LYS A 716 46.012 -13.176 8.722 1.00 1.00 C ATOM 492 NZ LYS A 716 46.789 -12.549 9.829 1.00 1.00 N ATOM 0 H LYS A 716 43.179 -12.788 4.748 1.00 1.00 H new ATOM 0 HA LYS A 716 45.418 -13.564 6.283 1.00 1.00 H new ATOM 0 HB2 LYS A 716 43.087 -12.836 7.073 1.00 1.00 H new ATOM 0 HB3 LYS A 716 42.492 -14.411 6.588 1.00 1.00 H new ATOM 0 HG2 LYS A 716 42.893 -14.773 8.860 1.00 1.00 H new ATOM 0 HG3 LYS A 716 44.389 -15.357 8.160 1.00 1.00 H new ATOM 0 HD2 LYS A 716 44.044 -12.542 9.305 1.00 1.00 H new ATOM 0 HD3 LYS A 716 44.662 -13.895 10.231 1.00 1.00 H new ATOM 0 HE2 LYS A 716 46.499 -14.093 8.391 1.00 1.00 H new ATOM 0 HE3 LYS A 716 45.973 -12.507 7.862 1.00 1.00 H new ATOM 0 HZ1 LYS A 716 47.753 -12.338 9.501 1.00 1.00 H new ATOM 0 HZ2 LYS A 716 46.323 -11.667 10.124 1.00 1.00 H new ATOM 0 HZ3 LYS A 716 46.833 -13.203 10.636 1.00 1.00 H new ATOM 506 N LEU A 717 43.890 -15.953 4.595 1.00 1.00 N ATOM 507 CA LEU A 717 44.014 -17.347 4.184 1.00 1.00 C ATOM 508 C LEU A 717 45.403 -17.575 3.598 1.00 1.00 C ATOM 509 O LEU A 717 46.027 -18.600 3.871 1.00 1.00 O ATOM 510 CB LEU A 717 42.951 -17.685 3.134 1.00 1.00 C ATOM 511 CG LEU A 717 43.001 -19.182 2.799 1.00 1.00 C ATOM 512 CD1 LEU A 717 42.611 -20.015 4.029 1.00 1.00 C ATOM 513 CD2 LEU A 717 42.024 -19.465 1.659 1.00 1.00 C ATOM 0 H LEU A 717 43.152 -15.430 4.123 1.00 1.00 H new ATOM 0 HA LEU A 717 43.869 -17.991 5.051 1.00 1.00 H new ATOM 0 HB2 LEU A 717 41.962 -17.420 3.508 1.00 1.00 H new ATOM 0 HB3 LEU A 717 43.119 -17.096 2.232 1.00 1.00 H new ATOM 0 HG LEU A 717 44.014 -19.453 2.500 1.00 1.00 H new ATOM 0 HD11 LEU A 717 42.650 -21.075 3.778 1.00 1.00 H new ATOM 0 HD12 LEU A 717 43.306 -19.809 4.843 1.00 1.00 H new ATOM 0 HD13 LEU A 717 41.600 -19.753 4.340 1.00 1.00 H new ATOM 0 HD21 LEU A 717 42.051 -20.526 1.412 1.00 1.00 H new ATOM 0 HD22 LEU A 717 41.015 -19.189 1.967 1.00 1.00 H new ATOM 0 HD23 LEU A 717 42.308 -18.881 0.783 1.00 1.00 H new ATOM 525 N LEU A 718 45.879 -16.647 2.777 1.00 1.00 N ATOM 526 CA LEU A 718 47.189 -16.828 2.159 1.00 1.00 C ATOM 527 C LEU A 718 48.286 -16.913 3.213 1.00 1.00 C ATOM 528 O LEU A 718 49.149 -17.789 3.158 1.00 1.00 O ATOM 529 CB LEU A 718 47.496 -15.669 1.203 1.00 1.00 C ATOM 530 CG LEU A 718 46.984 -15.978 -0.213 1.00 1.00 C ATOM 531 CD1 LEU A 718 45.461 -16.112 -0.218 1.00 1.00 C ATOM 532 CD2 LEU A 718 47.384 -14.835 -1.144 1.00 1.00 C ATOM 0 H LEU A 718 45.395 -15.784 2.528 1.00 1.00 H new ATOM 0 HA LEU A 718 47.163 -17.764 1.601 1.00 1.00 H new ATOM 0 HB2 LEU A 718 47.030 -14.755 1.571 1.00 1.00 H new ATOM 0 HB3 LEU A 718 48.571 -15.490 1.175 1.00 1.00 H new ATOM 0 HG LEU A 718 47.422 -16.918 -0.549 1.00 1.00 H new ATOM 0 HD11 LEU A 718 45.118 -16.331 -1.229 1.00 1.00 H new ATOM 0 HD12 LEU A 718 45.165 -16.922 0.449 1.00 1.00 H new ATOM 0 HD13 LEU A 718 45.013 -15.179 0.123 1.00 1.00 H new ATOM 0 HD21 LEU A 718 47.025 -15.044 -2.152 1.00 1.00 H new ATOM 0 HD22 LEU A 718 46.943 -13.904 -0.788 1.00 1.00 H new ATOM 0 HD23 LEU A 718 48.470 -14.740 -1.158 1.00 1.00 H new ATOM 544 N ILE A 719 48.262 -15.975 4.153 1.00 1.00 N ATOM 545 CA ILE A 719 49.266 -15.901 5.208 1.00 1.00 C ATOM 546 C ILE A 719 49.170 -17.056 6.199 1.00 1.00 C ATOM 547 O ILE A 719 50.191 -17.625 6.584 1.00 1.00 O ATOM 548 CB ILE A 719 49.104 -14.584 5.970 1.00 1.00 C ATOM 549 CG1 ILE A 719 49.414 -13.411 5.037 1.00 1.00 C ATOM 550 CG2 ILE A 719 50.079 -14.558 7.150 1.00 1.00 C ATOM 551 CD1 ILE A 719 48.970 -12.104 5.698 1.00 1.00 C ATOM 0 H ILE A 719 47.549 -15.247 4.205 1.00 1.00 H new ATOM 0 HA ILE A 719 50.241 -15.961 4.725 1.00 1.00 H new ATOM 0 HB ILE A 719 48.080 -14.500 6.335 1.00 1.00 H new ATOM 0 HG12 ILE A 719 50.482 -13.377 4.820 1.00 1.00 H new ATOM 0 HG13 ILE A 719 48.899 -13.543 4.085 1.00 1.00 H new ATOM 0 HG21 ILE A 719 49.966 -13.621 7.695 1.00 1.00 H new ATOM 0 HG22 ILE A 719 49.866 -15.393 7.817 1.00 1.00 H new ATOM 0 HG23 ILE A 719 51.101 -14.641 6.780 1.00 1.00 H new ATOM 0 HD11 ILE A 719 49.190 -11.268 5.035 1.00 1.00 H new ATOM 0 HD12 ILE A 719 47.898 -12.140 5.892 1.00 1.00 H new ATOM 0 HD13 ILE A 719 49.505 -11.972 6.638 1.00 1.00 H new