USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 302 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 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot -39:sc= -2.48! USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N ILE A 73 11.991 -1.191 -18.097 1.00 0.00 N ATOM 197 CA ILE A 73 11.613 0.216 -18.142 1.00 0.00 C ATOM 198 C ILE A 73 11.355 0.670 -19.574 1.00 0.00 C ATOM 199 O ILE A 73 10.303 1.234 -19.879 1.00 0.00 O ATOM 200 CB ILE A 73 12.701 1.111 -17.520 1.00 0.00 C ATOM 201 CG1 ILE A 73 14.071 0.437 -17.629 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.370 1.416 -16.067 1.00 0.00 C ATOM 203 CD1 ILE A 73 15.229 1.379 -17.384 1.00 0.00 C ATOM 0 HA ILE A 73 10.696 0.315 -17.561 1.00 0.00 H new ATOM 0 HB ILE A 73 12.734 2.051 -18.070 1.00 0.00 H new ATOM 0 HG12 ILE A 73 14.122 -0.382 -16.912 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.173 -0.001 -18.622 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.148 2.049 -15.642 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.412 1.933 -16.013 1.00 0.00 H new ATOM 0 HG23 ILE A 73 12.312 0.485 -15.504 1.00 0.00 H new ATOM 0 HD11 ILE A 73 16.168 0.833 -17.477 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.203 2.185 -18.117 1.00 0.00 H new ATOM 0 HD13 ILE A 73 15.151 1.798 -16.381 1.00 0.00 H new ATOM 215 N THR A 74 12.320 0.418 -20.453 1.00 0.00 N ATOM 216 CA THR A 74 12.198 0.801 -21.854 1.00 0.00 C ATOM 217 C THR A 74 10.933 0.218 -22.474 1.00 0.00 C ATOM 218 O THR A 74 10.194 0.914 -23.171 1.00 0.00 O ATOM 219 CB THR A 74 13.418 0.337 -22.671 1.00 0.00 C ATOM 220 OG1 THR A 74 14.623 0.830 -22.076 1.00 0.00 O ATOM 221 CG2 THR A 74 13.322 0.822 -24.110 1.00 0.00 C ATOM 0 H THR A 74 13.195 -0.050 -20.219 1.00 0.00 H new ATOM 0 HA THR A 74 12.145 1.889 -21.882 1.00 0.00 H new ATOM 0 HB THR A 74 13.433 -0.753 -22.672 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.394 0.529 -22.601 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.195 0.482 -24.668 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.419 0.421 -24.570 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.284 1.911 -24.125 1.00 0.00 H new ATOM 229 N LEU A 75 10.690 -1.062 -22.216 1.00 0.00 N ATOM 230 CA LEU A 75 9.513 -1.739 -22.749 1.00 0.00 C ATOM 231 C LEU A 75 8.235 -1.014 -22.339 1.00 0.00 C ATOM 232 O LEU A 75 7.361 -0.759 -23.169 1.00 0.00 O ATOM 233 CB LEU A 75 9.469 -3.189 -22.262 1.00 0.00 C ATOM 234 CG LEU A 75 10.417 -4.162 -22.963 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.269 -5.561 -22.385 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.157 -4.172 -24.462 1.00 0.00 C ATOM 0 H LEU A 75 11.292 -1.652 -21.641 1.00 0.00 H new ATOM 0 HA LEU A 75 9.581 -1.730 -23.837 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.693 -3.200 -21.195 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.450 -3.559 -22.377 1.00 0.00 H new ATOM 0 HG LEU A 75 11.441 -3.828 -22.794 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.951 -6.240 -22.896 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.505 -5.542 -21.321 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.244 -5.905 -22.523 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.841 -4.870 -24.945 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.129 -4.481 -24.651 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.315 -3.172 -24.865 1.00 0.00 H new ATOM 248 N ILE A 76 8.134 -0.683 -21.057 1.00 0.00 N ATOM 249 CA ILE A 76 6.965 0.016 -20.538 1.00 0.00 C ATOM 250 C ILE A 76 6.730 1.324 -21.286 1.00 0.00 C ATOM 251 O ILE A 76 5.607 1.626 -21.691 1.00 0.00 O ATOM 252 CB ILE A 76 7.110 0.317 -19.035 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.405 -0.970 -18.261 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.849 0.983 -18.504 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.295 -1.995 -18.347 1.00 0.00 C ATOM 0 H ILE A 76 8.848 -0.888 -20.358 1.00 0.00 H new ATOM 0 HA ILE A 76 6.111 -0.644 -20.687 1.00 0.00 H new ATOM 0 HB ILE A 76 7.946 1.003 -18.896 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.326 -1.411 -18.643 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.580 -0.723 -17.214 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.967 1.189 -17.440 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.679 1.918 -19.038 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.997 0.320 -18.653 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.573 -2.881 -17.775 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.377 -1.572 -17.938 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.135 -2.271 -19.389 1.00 0.00 H new ATOM 267 N ILE A 77 7.797 2.096 -21.467 1.00 0.00 N ATOM 268 CA ILE A 77 7.707 3.370 -22.169 1.00 0.00 C ATOM 269 C ILE A 77 7.294 3.168 -23.623 1.00 0.00 C ATOM 270 O ILE A 77 6.370 3.817 -24.113 1.00 0.00 O ATOM 271 CB ILE A 77 9.045 4.131 -22.128 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.471 4.379 -20.680 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.930 5.445 -22.885 1.00 0.00 C ATOM 274 CD1 ILE A 77 10.694 5.261 -20.552 1.00 0.00 C ATOM 0 H ILE A 77 8.733 1.861 -21.137 1.00 0.00 H new ATOM 0 HA ILE A 77 6.947 3.960 -21.656 1.00 0.00 H new ATOM 0 HB ILE A 77 9.808 3.521 -22.612 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.643 4.839 -20.140 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.672 3.421 -20.200 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.884 5.971 -22.847 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.667 5.245 -23.924 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.157 6.062 -22.428 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.938 5.394 -19.498 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.535 4.793 -21.063 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.491 6.233 -21.002 1.00 0.00 H new ATOM 286 N PHE A 78 7.984 2.262 -24.308 1.00 0.00 N ATOM 287 CA PHE A 78 7.689 1.974 -25.707 1.00 0.00 C ATOM 288 C PHE A 78 6.219 1.606 -25.888 1.00 0.00 C ATOM 289 O PHE A 78 5.541 2.129 -26.771 1.00 0.00 O ATOM 290 CB PHE A 78 8.577 0.835 -26.213 1.00 0.00 C ATOM 291 CG PHE A 78 8.167 0.308 -27.559 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.657 0.882 -28.721 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.292 -0.762 -27.661 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.281 0.399 -29.960 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.913 -1.249 -28.897 1.00 0.00 C ATOM 296 CZ PHE A 78 7.409 -0.669 -30.048 1.00 0.00 C ATOM 0 H PHE A 78 8.751 1.715 -23.917 1.00 0.00 H new ATOM 0 HA PHE A 78 7.895 2.873 -26.289 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.608 1.185 -26.267 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.555 0.019 -25.490 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.340 1.716 -28.658 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.902 -1.220 -26.764 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.668 0.856 -30.859 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.229 -2.083 -28.963 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.116 -1.050 -31.015 1.00 0.00 H new ATOM 306 N GLY A 79 5.733 0.700 -25.044 1.00 0.00 N ATOM 307 CA GLY A 79 4.348 0.277 -25.127 1.00 0.00 C ATOM 308 C GLY A 79 3.379 1.439 -25.031 1.00 0.00 C ATOM 309 O GLY A 79 2.532 1.625 -25.904 1.00 0.00 O ATOM 0 H GLY A 79 6.274 0.252 -24.305 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.188 -0.249 -26.068 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.140 -0.433 -24.326 1.00 0.00 H new ATOM 313 N VAL A 80 3.504 2.224 -23.965 1.00 0.00 N ATOM 314 CA VAL A 80 2.632 3.374 -23.757 1.00 0.00 C ATOM 315 C VAL A 80 2.785 4.390 -24.882 1.00 0.00 C ATOM 316 O VAL A 80 1.821 5.049 -25.273 1.00 0.00 O ATOM 317 CB VAL A 80 2.926 4.065 -22.412 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.950 5.207 -22.173 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.871 3.059 -21.273 1.00 0.00 C ATOM 0 H VAL A 80 4.200 2.084 -23.233 1.00 0.00 H new ATOM 0 HA VAL A 80 1.609 2.998 -23.748 1.00 0.00 H new ATOM 0 HB VAL A 80 3.933 4.481 -22.450 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.174 5.683 -21.218 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.044 5.940 -22.974 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.932 4.818 -22.155 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.081 3.565 -20.331 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.878 2.611 -21.231 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.614 2.279 -21.440 1.00 0.00 H new ATOM 329 N MET A 81 4.003 4.513 -25.401 1.00 0.00 N ATOM 330 CA MET A 81 4.281 5.448 -26.484 1.00 0.00 C ATOM 331 C MET A 81 3.544 5.043 -27.756 1.00 0.00 C ATOM 332 O MET A 81 2.923 5.875 -28.416 1.00 0.00 O ATOM 333 CB MET A 81 5.786 5.517 -26.752 1.00 0.00 C ATOM 334 CG MET A 81 6.548 6.349 -25.733 1.00 0.00 C ATOM 335 SD MET A 81 6.485 8.115 -26.092 1.00 0.00 S ATOM 336 CE MET A 81 8.002 8.325 -27.022 1.00 0.00 C ATOM 0 H MET A 81 4.812 3.977 -25.089 1.00 0.00 H new ATOM 0 HA MET A 81 3.927 6.433 -26.180 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.192 4.505 -26.759 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.951 5.934 -27.745 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.135 6.169 -24.741 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.588 6.024 -25.709 1.00 0.00 H new ATOM 0 HE1 MET A 81 8.106 9.369 -27.317 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.851 8.036 -26.403 1.00 0.00 H new ATOM 0 HE3 MET A 81 7.972 7.698 -27.913 1.00 0.00 H new ATOM 346 N ALA A 82 3.618 3.760 -28.094 1.00 0.00 N ATOM 347 CA ALA A 82 2.957 3.244 -29.286 1.00 0.00 C ATOM 348 C ALA A 82 1.440 3.334 -29.154 1.00 0.00 C ATOM 349 O ALA A 82 0.751 3.759 -30.080 1.00 0.00 O ATOM 350 CB ALA A 82 3.382 1.806 -29.545 1.00 0.00 C ATOM 0 H ALA A 82 4.130 3.059 -27.559 1.00 0.00 H new ATOM 0 HA ALA A 82 3.259 3.858 -30.134 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.880 1.434 -30.438 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.461 1.766 -29.692 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.109 1.186 -28.691 1.00 0.00 H new ATOM 356 N GLY A 83 0.926 2.929 -27.996 1.00 0.00 N ATOM 357 CA GLY A 83 -0.506 2.972 -27.766 1.00 0.00 C ATOM 358 C GLY A 83 -1.060 4.382 -27.814 1.00 0.00 C ATOM 359 O GLY A 83 -2.018 4.656 -28.537 1.00 0.00 O ATOM 0 H GLY A 83 1.475 2.572 -27.214 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.010 2.362 -28.516 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.728 2.531 -26.794 1.00 0.00 H new ATOM 363 N VAL A 84 -0.457 5.280 -27.042 1.00 0.00 N ATOM 364 CA VAL A 84 -0.895 6.670 -26.999 1.00 0.00 C ATOM 365 C VAL A 84 -0.958 7.269 -28.400 1.00 0.00 C ATOM 366 O VAL A 84 -2.011 7.732 -28.841 1.00 0.00 O ATOM 367 CB VAL A 84 0.040 7.527 -26.127 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.271 9.006 -26.303 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.073 7.121 -24.665 1.00 0.00 C ATOM 0 H VAL A 84 0.337 5.070 -26.437 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.893 6.674 -26.560 1.00 0.00 H new ATOM 0 HB VAL A 84 1.067 7.355 -26.450 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.400 9.596 -25.679 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.134 9.285 -27.348 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.303 9.198 -26.009 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.595 7.737 -24.064 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.100 7.262 -24.327 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.204 6.073 -24.556 1.00 0.00 H new ATOM 816 N ILE B 73 5.695 -9.881 -22.279 1.00 0.00 N ATOM 817 CA ILE B 73 4.482 -9.602 -23.037 1.00 0.00 C ATOM 818 C ILE B 73 3.491 -8.789 -22.210 1.00 0.00 C ATOM 819 O ILE B 73 3.020 -7.737 -22.643 1.00 0.00 O ATOM 820 CB ILE B 73 3.799 -10.901 -23.505 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.762 -11.730 -24.358 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.532 -10.582 -24.285 1.00 0.00 C ATOM 823 CD1 ILE B 73 5.174 -11.045 -25.642 1.00 0.00 C ATOM 0 HA ILE B 73 4.782 -9.024 -23.911 1.00 0.00 H new ATOM 0 HB ILE B 73 3.524 -11.486 -22.628 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.654 -11.953 -23.772 1.00 0.00 H new ATOM 0 HG13 ILE B 73 4.292 -12.684 -24.599 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.061 -11.510 -24.609 1.00 0.00 H new ATOM 0 HG22 ILE B 73 1.842 -10.028 -23.648 1.00 0.00 H new ATOM 0 HG23 ILE B 73 2.784 -9.979 -25.158 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.856 -11.690 -26.196 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.290 -10.846 -26.248 1.00 0.00 H new ATOM 0 HD13 ILE B 73 5.673 -10.104 -25.409 1.00 0.00 H new ATOM 835 N THR B 74 3.179 -9.284 -21.016 1.00 0.00 N ATOM 836 CA THR B 74 2.245 -8.604 -20.128 1.00 0.00 C ATOM 837 C THR B 74 2.599 -7.129 -19.982 1.00 0.00 C ATOM 838 O THR B 74 1.736 -6.258 -20.097 1.00 0.00 O ATOM 839 CB THR B 74 2.223 -9.255 -18.732 1.00 0.00 C ATOM 840 OG1 THR B 74 1.861 -10.636 -18.841 1.00 0.00 O ATOM 841 CG2 THR B 74 1.241 -8.539 -17.817 1.00 0.00 C ATOM 0 H THR B 74 3.560 -10.153 -20.642 1.00 0.00 H new ATOM 0 HA THR B 74 1.257 -8.694 -20.580 1.00 0.00 H new ATOM 0 HB THR B 74 3.221 -9.175 -18.302 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.851 -11.043 -17.950 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.243 -9.016 -16.837 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.536 -7.495 -17.713 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.240 -8.592 -18.245 1.00 0.00 H new ATOM 849 N LEU B 75 3.874 -6.853 -19.730 1.00 0.00 N ATOM 850 CA LEU B 75 4.343 -5.481 -19.570 1.00 0.00 C ATOM 851 C LEU B 75 4.000 -4.641 -20.796 1.00 0.00 C ATOM 852 O LEU B 75 3.455 -3.544 -20.675 1.00 0.00 O ATOM 853 CB LEU B 75 5.854 -5.463 -19.331 1.00 0.00 C ATOM 854 CG LEU B 75 6.351 -6.239 -18.111 1.00 0.00 C ATOM 855 CD1 LEU B 75 7.857 -6.436 -18.181 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.964 -5.519 -16.827 1.00 0.00 C ATOM 0 H LEU B 75 4.601 -7.561 -19.632 1.00 0.00 H new ATOM 0 HA LEU B 75 3.839 -5.049 -18.705 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.346 -5.864 -20.217 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.173 -4.426 -19.231 1.00 0.00 H new ATOM 0 HG LEU B 75 5.877 -7.220 -18.111 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.193 -6.990 -17.304 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.109 -6.995 -19.082 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.350 -5.464 -18.207 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.326 -6.086 -15.969 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.410 -4.524 -16.819 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.879 -5.431 -16.772 1.00 0.00 H new ATOM 868 N ILE B 76 4.320 -5.166 -21.974 1.00 0.00 N ATOM 869 CA ILE B 76 4.042 -4.466 -23.222 1.00 0.00 C ATOM 870 C ILE B 76 2.561 -4.124 -23.343 1.00 0.00 C ATOM 871 O ILE B 76 2.199 -3.004 -23.704 1.00 0.00 O ATOM 872 CB ILE B 76 4.466 -5.303 -24.443 1.00 0.00 C ATOM 873 CG1 ILE B 76 5.926 -5.737 -24.309 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.258 -4.511 -25.726 1.00 0.00 C ATOM 875 CD1 ILE B 76 6.905 -4.585 -24.346 1.00 0.00 C ATOM 0 H ILE B 76 4.772 -6.073 -22.090 1.00 0.00 H new ATOM 0 HA ILE B 76 4.624 -3.545 -23.203 1.00 0.00 H new ATOM 0 HB ILE B 76 3.844 -6.197 -24.486 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.051 -6.279 -23.372 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.165 -6.432 -25.114 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.562 -5.116 -26.580 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.205 -4.248 -25.824 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.858 -3.601 -25.693 1.00 0.00 H new ATOM 0 HD11 ILE B 76 7.921 -4.967 -24.246 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.808 -4.056 -25.294 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.692 -3.900 -23.525 1.00 0.00 H new ATOM 887 N ILE B 77 1.708 -5.096 -23.037 1.00 0.00 N ATOM 888 CA ILE B 77 0.266 -4.898 -23.108 1.00 0.00 C ATOM 889 C ILE B 77 -0.195 -3.849 -22.102 1.00 0.00 C ATOM 890 O ILE B 77 -0.917 -2.914 -22.450 1.00 0.00 O ATOM 891 CB ILE B 77 -0.497 -6.210 -22.850 1.00 0.00 C ATOM 892 CG1 ILE B 77 -0.182 -7.232 -23.945 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.993 -5.948 -22.777 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.777 -6.879 -25.290 1.00 0.00 C ATOM 0 H ILE B 77 1.991 -6.029 -22.737 1.00 0.00 H new ATOM 0 HA ILE B 77 0.045 -4.552 -24.118 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.173 -6.619 -21.893 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.900 -7.321 -24.047 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.555 -8.209 -23.637 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.518 -6.886 -22.594 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.201 -5.251 -21.965 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.334 -5.519 -23.719 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.513 -7.647 -26.017 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.862 -6.818 -25.203 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.385 -5.917 -25.620 1.00 0.00 H new ATOM 906 N PHE B 78 0.229 -4.009 -20.853 1.00 0.00 N ATOM 907 CA PHE B 78 -0.140 -3.075 -19.795 1.00 0.00 C ATOM 908 C PHE B 78 0.221 -1.644 -20.182 1.00 0.00 C ATOM 909 O PHE B 78 -0.597 -0.733 -20.066 1.00 0.00 O ATOM 910 CB PHE B 78 0.558 -3.452 -18.486 1.00 0.00 C ATOM 911 CG PHE B 78 0.438 -2.403 -17.419 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.646 -2.394 -16.556 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.410 -1.425 -17.278 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.759 -1.429 -15.573 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.302 -0.457 -16.297 1.00 0.00 C ATOM 916 CZ PHE B 78 0.217 -0.460 -15.442 1.00 0.00 C ATOM 0 H PHE B 78 0.828 -4.776 -20.548 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.219 -3.134 -19.654 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.136 -4.386 -18.115 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.614 -3.636 -18.686 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.411 -3.150 -16.653 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.262 -1.419 -17.942 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.610 -1.432 -14.908 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.065 0.301 -16.199 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.132 0.293 -14.673 1.00 0.00 H new ATOM 926 N GLY B 79 1.454 -1.455 -20.643 1.00 0.00 N ATOM 927 CA GLY B 79 1.903 -0.133 -21.040 1.00 0.00 C ATOM 928 C GLY B 79 1.003 0.495 -22.087 1.00 0.00 C ATOM 929 O GLY B 79 0.501 1.603 -21.900 1.00 0.00 O ATOM 0 H GLY B 79 2.150 -2.194 -20.749 1.00 0.00 H new ATOM 0 HA2 GLY B 79 1.941 0.513 -20.163 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.918 -0.200 -21.431 1.00 0.00 H new ATOM 933 N VAL B 80 0.799 -0.215 -23.192 1.00 0.00 N ATOM 934 CA VAL B 80 -0.045 0.280 -24.273 1.00 0.00 C ATOM 935 C VAL B 80 -1.479 0.489 -23.798 1.00 0.00 C ATOM 936 O VAL B 80 -2.164 1.407 -24.248 1.00 0.00 O ATOM 937 CB VAL B 80 -0.049 -0.689 -25.470 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.865 -0.115 -26.619 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.374 -0.991 -25.915 1.00 0.00 C ATOM 0 H VAL B 80 1.206 -1.134 -23.362 1.00 0.00 H new ATOM 0 HA VAL B 80 0.373 1.235 -24.590 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.514 -1.624 -25.157 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.856 -0.813 -27.456 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.892 0.046 -26.291 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.432 0.834 -26.934 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.353 -1.677 -26.762 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.867 -0.065 -26.211 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.923 -1.448 -25.092 1.00 0.00 H new ATOM 949 N MET B 81 -1.925 -0.368 -22.886 1.00 0.00 N ATOM 950 CA MET B 81 -3.278 -0.276 -22.349 1.00 0.00 C ATOM 951 C MET B 81 -3.456 1.008 -21.543 1.00 0.00 C ATOM 952 O MET B 81 -4.448 1.719 -21.703 1.00 0.00 O ATOM 953 CB MET B 81 -3.584 -1.490 -21.470 1.00 0.00 C ATOM 954 CG MET B 81 -3.900 -2.749 -22.261 1.00 0.00 C ATOM 955 SD MET B 81 -5.648 -2.884 -22.683 1.00 0.00 S ATOM 956 CE MET B 81 -5.552 -3.731 -24.258 1.00 0.00 C ATOM 0 H MET B 81 -1.370 -1.134 -22.503 1.00 0.00 H new ATOM 0 HA MET B 81 -3.975 -0.258 -23.187 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.730 -1.683 -20.821 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.429 -1.256 -20.823 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.308 -2.757 -23.176 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.602 -3.622 -21.681 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.557 -3.888 -24.649 1.00 0.00 H new ATOM 0 HE2 MET B 81 -4.979 -3.127 -24.962 1.00 0.00 H new ATOM 0 HE3 MET B 81 -5.061 -4.695 -24.124 1.00 0.00 H new ATOM 966 N ALA B 82 -2.490 1.297 -20.678 1.00 0.00 N ATOM 967 CA ALA B 82 -2.540 2.496 -19.850 1.00 0.00 C ATOM 968 C ALA B 82 -2.435 3.756 -20.702 1.00 0.00 C ATOM 969 O ALA B 82 -3.188 4.711 -20.511 1.00 0.00 O ATOM 970 CB ALA B 82 -1.429 2.465 -18.810 1.00 0.00 C ATOM 0 H ALA B 82 -1.663 0.718 -20.532 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.502 2.515 -19.338 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.478 3.366 -18.199 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.550 1.588 -18.174 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.462 2.419 -19.312 1.00 0.00 H new ATOM 976 N GLY B 83 -1.495 3.754 -21.642 1.00 0.00 N ATOM 977 CA GLY B 83 -1.309 4.903 -22.508 1.00 0.00 C ATOM 978 C GLY B 83 -2.530 5.191 -23.360 1.00 0.00 C ATOM 979 O GLY B 83 -3.030 6.316 -23.381 1.00 0.00 O ATOM 0 H GLY B 83 -0.859 2.977 -21.819 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.079 5.778 -21.901 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.450 4.730 -23.156 1.00 0.00 H new ATOM 983 N VAL B 84 -3.011 4.172 -24.066 1.00 0.00 N ATOM 984 CA VAL B 84 -4.180 4.321 -24.924 1.00 0.00 C ATOM 985 C VAL B 84 -5.356 4.909 -24.152 1.00 0.00 C ATOM 986 O VAL B 84 -5.886 5.961 -24.514 1.00 0.00 O ATOM 987 CB VAL B 84 -4.604 2.972 -25.534 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.963 3.094 -26.207 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.554 2.481 -26.519 1.00 0.00 C ATOM 0 H VAL B 84 -2.609 3.235 -24.060 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.899 5.002 -25.727 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.688 2.239 -24.731 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.246 2.131 -26.632 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.707 3.399 -25.471 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.911 3.840 -27.000 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.869 1.527 -26.941 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.437 3.211 -27.320 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.603 2.353 -26.003 1.00 0.00 H new ATOM 999 N ILE B 85 -5.760 4.225 -23.088 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.873 4.680 -22.264 1.00 0.00 C ATOM 1001 C ILE B 85 -6.637 6.099 -21.757 1.00 0.00 C ATOM 1002 O ILE B 85 -7.554 6.918 -21.723 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.101 3.748 -21.060 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.446 2.336 -21.538 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.205 4.295 -20.167 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.760 2.254 -22.282 1.00 0.00 C ATOM 0 H ILE B 85 -5.333 3.353 -22.776 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.760 4.665 -22.897 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.181 3.700 -20.478 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.648 1.976 -22.187 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.483 1.669 -20.677 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.354 3.625 -19.321 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.922 5.283 -19.802 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.131 4.370 -20.738 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.940 1.224 -22.591 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.569 2.584 -21.630 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.720 2.895 -23.163 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.398 6.383 -21.364 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.063 7.704 -20.865 1.00 0.00 C ATOM 1020 C GLY B 86 -5.332 8.794 -21.884 1.00 0.00 C ATOM 1021 O GLY B 86 -6.013 9.776 -21.588 1.00 0.00 O ATOM 0 H GLY B 86 -4.621 5.722 -21.382 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.639 7.905 -19.962 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.010 7.726 -20.583 1.00 0.00 H new ATOM 1025 N THR B 87 -4.795 8.622 -23.088 1.00 0.00 N ATOM 1026 CA THR B 87 -4.978 9.600 -24.153 1.00 0.00 C ATOM 1027 C THR B 87 -6.457 9.834 -24.436 1.00 0.00 C ATOM 1028 O THR B 87 -6.894 10.972 -24.608 1.00 0.00 O ATOM 1029 CB THR B 87 -4.282 9.153 -25.452 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.024 8.541 -25.148 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.065 10.336 -26.384 1.00 0.00 C ATOM 0 H THR B 87 -4.230 7.814 -23.350 1.00 0.00 H new ATOM 0 HA THR B 87 -4.525 10.530 -23.809 1.00 0.00 H new ATOM 0 HB THR B 87 -4.925 8.430 -25.953 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.590 9.030 -24.418 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.572 9.996 -27.295 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.027 10.781 -26.637 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.440 11.079 -25.889 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.224 8.750 -24.483 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.656 8.838 -24.744 1.00 0.00 C ATOM 1041 C ILE B 88 -9.340 9.766 -23.747 1.00 0.00 C ATOM 1042 O ILE B 88 -10.069 10.681 -24.132 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.326 7.452 -24.682 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.695 6.510 -25.709 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.823 7.577 -24.918 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.843 5.046 -25.358 1.00 0.00 C ATOM 0 H ILE B 88 -6.878 7.801 -24.344 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.769 9.242 -25.750 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.169 7.032 -23.688 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.151 6.690 -26.683 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.635 6.747 -25.804 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.282 6.590 -24.871 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.260 8.217 -24.152 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.001 8.014 -25.901 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.372 4.437 -26.130 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.362 4.851 -24.399 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.901 4.793 -25.291 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.100 9.527 -22.462 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.691 10.343 -21.408 1.00 0.00 C ATOM 1060 C LEU B 89 -9.338 11.815 -21.595 1.00 0.00 C ATOM 1061 O LEU B 89 -10.217 12.676 -21.627 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.214 9.863 -20.036 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.849 8.572 -19.518 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.231 8.169 -18.188 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.355 8.737 -19.380 1.00 0.00 C ATOM 0 H LEU B 89 -8.500 8.774 -22.125 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.774 10.238 -21.467 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.134 9.721 -20.078 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.404 10.654 -19.310 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.655 7.779 -20.240 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.695 7.248 -17.835 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.161 8.009 -18.318 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -9.393 8.961 -17.457 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.790 7.809 -19.010 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.570 9.543 -18.679 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.785 8.978 -20.352 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.046 12.096 -21.722 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.575 13.464 -21.910 1.00 0.00 C ATOM 1079 C LEU B 90 -8.209 14.093 -23.146 1.00 0.00 C ATOM 1080 O LEU B 90 -8.755 15.195 -23.084 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.051 13.487 -22.035 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.267 13.213 -20.751 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -3.844 12.788 -21.075 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.267 14.442 -19.854 1.00 0.00 C ATOM 0 H LEU B 90 -7.306 11.395 -21.698 1.00 0.00 H new ATOM 0 HA LEU B 90 -7.870 14.047 -21.037 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.757 12.749 -22.781 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.753 14.463 -22.418 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.755 12.398 -20.217 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.301 12.597 -20.149 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -3.864 11.880 -21.678 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.345 13.582 -21.631 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.705 14.229 -18.945 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.804 15.277 -20.380 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.293 14.702 -19.593 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.133 13.385 -24.268 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.703 13.873 -25.518 1.00 0.00 C ATOM 1098 C ILE B 91 -10.179 14.218 -25.353 1.00 0.00 C ATOM 1099 O ILE B 91 -10.625 15.291 -25.757 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.553 12.836 -26.647 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.077 12.649 -27.006 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.351 13.265 -27.870 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.789 11.348 -27.721 1.00 0.00 C ATOM 0 H ILE B 91 -7.683 12.472 -24.337 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.150 14.774 -25.786 1.00 0.00 H new ATOM 0 HB ILE B 91 -8.946 11.881 -26.297 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.757 13.479 -27.636 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -6.481 12.693 -26.094 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.235 12.522 -28.659 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.405 13.351 -27.605 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -8.986 14.229 -28.223 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.724 11.283 -27.944 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.078 10.511 -27.085 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.357 11.310 -28.650 1.00 0.00 H new ATOM 1115 N SER B 92 -10.932 13.301 -24.754 1.00 0.00 N ATOM 1116 CA SER B 92 -12.359 13.507 -24.536 1.00 0.00 C ATOM 1117 C SER B 92 -12.609 14.803 -23.770 1.00 0.00 C ATOM 1118 O SER B 92 -13.659 15.430 -23.916 1.00 0.00 O ATOM 1119 CB SER B 92 -12.955 12.325 -23.769 1.00 0.00 C ATOM 1120 OG SER B 92 -14.371 12.373 -23.779 1.00 0.00 O ATOM 0 H SER B 92 -10.578 12.408 -24.411 1.00 0.00 H new ATOM 0 HA SER B 92 -12.844 13.581 -25.509 1.00 0.00 H new ATOM 0 HB2 SER B 92 -12.616 11.390 -24.215 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.595 12.336 -22.740 1.00 0.00 H new ATOM 0 HG SER B 92 -14.728 11.606 -23.284 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.638 15.197 -22.954 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.754 16.417 -22.163 1.00 0.00 C ATOM 1128 C TYR B 93 -11.608 17.654 -23.044 1.00 0.00 C ATOM 1129 O TYR B 93 -12.280 18.663 -22.833 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.695 16.436 -21.059 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.018 17.383 -19.926 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.100 17.149 -19.086 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.242 18.512 -19.695 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.400 18.012 -18.050 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -10.533 19.379 -18.660 1.00 0.00 C ATOM 1136 CZ TYR B 93 -11.613 19.125 -17.841 1.00 0.00 C ATOM 1137 OH TYR B 93 -11.908 19.988 -16.810 1.00 0.00 O ATOM 0 H TYR B 93 -10.763 14.690 -22.823 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.745 16.432 -21.708 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.582 15.429 -20.658 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -9.735 16.716 -21.493 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -12.717 16.277 -19.246 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -9.397 18.715 -20.336 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.246 17.816 -17.408 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -9.918 20.251 -18.493 1.00 0.00 H new ATOM 0 HH TYR B 93 -11.256 20.720 -16.799 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.725 17.567 -24.034 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.506 18.684 -24.933 1.00 0.00 C ATOM 1149 C GLY B 94 -11.734 19.011 -25.761 1.00 0.00 C ATOM 1150 O GLY B 94 -12.022 20.180 -26.020 1.00 0.00 O ATOM 0 H GLY B 94 -10.157 16.742 -24.229 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.218 19.561 -24.354 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.674 18.453 -25.598 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.457 17.978 -26.177 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.659 18.161 -26.981 1.00 0.00 C ATOM 1156 C ILE B 95 -14.745 18.881 -26.188 1.00 0.00 C ATOM 1157 O ILE B 95 -15.551 19.622 -26.751 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.213 16.814 -27.482 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.165 16.092 -28.332 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.491 17.030 -28.278 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -13.509 14.647 -28.616 1.00 0.00 C ATOM 0 H ILE B 95 -12.232 17.005 -25.971 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.375 18.769 -27.840 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.447 16.190 -26.619 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.048 16.622 -29.277 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -12.203 16.134 -27.822 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -15.870 16.069 -28.625 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.238 17.507 -27.644 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.282 17.669 -29.136 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.723 14.198 -29.223 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.597 14.102 -27.676 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -14.455 14.597 -29.154 1.00 0.00 H new ATOM 1173 N ARG B 96 -14.760 18.658 -24.878 1.00 0.00 N ATOM 1174 CA ARG B 96 -15.747 19.286 -24.007 1.00 0.00 C ATOM 1175 C ARG B 96 -15.416 20.759 -23.784 1.00 0.00 C ATOM 1176 O ARG B 96 -16.301 21.614 -23.808 1.00 0.00 O ATOM 1177 CB ARG B 96 -15.810 18.557 -22.664 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.207 18.499 -22.067 1.00 0.00 C ATOM 1179 CD ARG B 96 -17.560 19.793 -21.351 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.582 20.553 -22.066 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.846 20.160 -22.179 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -20.241 19.021 -21.627 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -20.717 20.906 -22.846 1.00 0.00 N ATOM 0 H ARG B 96 -14.100 18.047 -24.396 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.720 19.220 -24.494 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.437 17.541 -22.794 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.143 19.054 -21.959 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -17.934 18.309 -22.857 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.271 17.666 -21.367 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -17.914 19.566 -20.346 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -16.664 20.404 -21.243 1.00 0.00 H new ATOM 0 HE ARG B 96 -18.310 21.434 -22.503 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -19.574 18.444 -21.114 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -21.212 18.721 -21.715 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -20.416 21.782 -23.273 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -21.687 20.603 -22.932 1.00 0.00 H new