USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=6 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 -145:sc= -0.0642 (180deg=-0.194) 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 -37:sc= -1.76! USER MOD Single : B 92 SER OG : rot 80:sc= 0.275 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N ILE A 73 12.123 -1.206 -18.144 1.00 0.00 N ATOM 197 CA ILE A 73 11.683 0.183 -18.187 1.00 0.00 C ATOM 198 C ILE A 73 11.381 0.620 -19.616 1.00 0.00 C ATOM 199 O ILE A 73 10.268 1.049 -19.925 1.00 0.00 O ATOM 200 CB ILE A 73 12.741 1.127 -17.586 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.139 0.658 -16.185 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.215 2.554 -17.544 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.114 1.583 -15.492 1.00 0.00 C ATOM 0 HA ILE A 73 10.772 0.244 -17.591 1.00 0.00 H new ATOM 0 HB ILE A 73 13.627 1.106 -18.220 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.242 0.565 -15.573 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.581 -0.336 -16.255 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.974 3.209 -17.117 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.978 2.884 -18.555 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.315 2.592 -16.930 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.351 1.188 -14.504 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.027 1.657 -16.082 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.667 2.572 -15.389 1.00 0.00 H new ATOM 215 N THR A 74 12.378 0.507 -20.488 1.00 0.00 N ATOM 216 CA THR A 74 12.220 0.890 -21.885 1.00 0.00 C ATOM 217 C THR A 74 10.967 0.264 -22.488 1.00 0.00 C ATOM 218 O THR A 74 10.213 0.926 -23.203 1.00 0.00 O ATOM 219 CB THR A 74 13.443 0.473 -22.724 1.00 0.00 C ATOM 220 OG1 THR A 74 14.631 1.060 -22.183 1.00 0.00 O ATOM 221 CG2 THR A 74 13.275 0.900 -24.174 1.00 0.00 C ATOM 0 H THR A 74 13.305 0.153 -20.251 1.00 0.00 H new ATOM 0 HA THR A 74 12.127 1.976 -21.907 1.00 0.00 H new ATOM 0 HB THR A 74 13.527 -0.613 -22.689 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.404 0.789 -22.721 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.151 0.595 -24.747 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.386 0.428 -24.592 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.168 1.984 -24.224 1.00 0.00 H new ATOM 229 N LEU A 75 10.750 -1.013 -22.194 1.00 0.00 N ATOM 230 CA LEU A 75 9.586 -1.728 -22.707 1.00 0.00 C ATOM 231 C LEU A 75 8.294 -1.016 -22.319 1.00 0.00 C ATOM 232 O LEU A 75 7.439 -0.757 -23.166 1.00 0.00 O ATOM 233 CB LEU A 75 9.570 -3.163 -22.176 1.00 0.00 C ATOM 234 CG LEU A 75 10.544 -4.136 -22.842 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.436 -5.515 -22.210 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.283 -4.211 -24.339 1.00 0.00 C ATOM 0 H LEU A 75 11.364 -1.574 -21.604 1.00 0.00 H new ATOM 0 HA LEU A 75 9.654 -1.750 -23.795 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.787 -3.136 -21.108 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.560 -3.559 -22.286 1.00 0.00 H new ATOM 0 HG LEU A 75 11.558 -3.767 -22.689 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.136 -6.194 -22.697 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.674 -5.448 -21.148 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.421 -5.892 -22.332 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.985 -4.908 -24.796 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.264 -4.556 -24.514 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.413 -3.223 -24.781 1.00 0.00 H new ATOM 248 N ILE A 76 8.162 -0.700 -21.035 1.00 0.00 N ATOM 249 CA ILE A 76 6.976 -0.014 -20.537 1.00 0.00 C ATOM 250 C ILE A 76 6.742 1.294 -21.286 1.00 0.00 C ATOM 251 O ILE A 76 5.619 1.595 -21.692 1.00 0.00 O ATOM 252 CB ILE A 76 7.090 0.284 -19.030 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.288 -1.014 -18.245 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.853 1.022 -18.541 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.166 -2.012 -18.434 1.00 0.00 C ATOM 0 H ILE A 76 8.861 -0.908 -20.322 1.00 0.00 H new ATOM 0 HA ILE A 76 6.131 -0.682 -20.705 1.00 0.00 H new ATOM 0 HB ILE A 76 7.958 0.922 -18.865 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.228 -1.474 -18.550 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.378 -0.778 -17.185 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.949 1.225 -17.474 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.753 1.963 -19.082 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.970 0.407 -18.715 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.373 -2.908 -17.848 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.226 -1.570 -18.102 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.089 -2.278 -19.488 1.00 0.00 H new ATOM 267 N ILE A 77 7.808 2.066 -21.465 1.00 0.00 N ATOM 268 CA ILE A 77 7.719 3.339 -22.168 1.00 0.00 C ATOM 269 C ILE A 77 7.308 3.137 -23.623 1.00 0.00 C ATOM 270 O ILE A 77 6.385 3.787 -24.115 1.00 0.00 O ATOM 271 CB ILE A 77 9.057 4.101 -22.126 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.413 4.471 -20.684 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.985 5.347 -22.996 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.518 5.539 -20.096 1.00 0.00 C ATOM 0 H ILE A 77 8.744 1.832 -21.133 1.00 0.00 H new ATOM 0 HA ILE A 77 6.958 3.928 -21.656 1.00 0.00 H new ATOM 0 HB ILE A 77 9.840 3.452 -22.519 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.355 3.577 -20.063 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.447 4.815 -20.650 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.938 5.874 -22.956 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.772 5.060 -24.026 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.193 6.001 -22.631 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.828 5.751 -19.073 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.594 6.447 -20.694 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.486 5.190 -20.097 1.00 0.00 H new ATOM 286 N PHE A 78 7.998 2.230 -24.306 1.00 0.00 N ATOM 287 CA PHE A 78 7.704 1.941 -25.705 1.00 0.00 C ATOM 288 C PHE A 78 6.235 1.571 -25.887 1.00 0.00 C ATOM 289 O PHE A 78 5.555 2.100 -26.766 1.00 0.00 O ATOM 290 CB PHE A 78 8.594 0.803 -26.210 1.00 0.00 C ATOM 291 CG PHE A 78 8.222 0.314 -27.581 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.722 0.939 -28.713 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.374 -0.769 -27.738 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.380 0.491 -29.975 1.00 0.00 C ATOM 295 CE2 PHE A 78 7.029 -1.222 -28.997 1.00 0.00 C ATOM 296 CZ PHE A 78 7.534 -0.591 -30.117 1.00 0.00 C ATOM 0 H PHE A 78 8.764 1.683 -23.914 1.00 0.00 H new ATOM 0 HA PHE A 78 7.909 2.840 -26.287 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.630 1.141 -26.222 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.539 -0.030 -25.509 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.386 1.785 -28.608 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.977 -1.266 -26.865 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.774 0.987 -30.850 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.366 -2.068 -29.105 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.268 -0.943 -31.103 1.00 0.00 H new ATOM 306 N GLY A 79 5.752 0.659 -25.050 1.00 0.00 N ATOM 307 CA GLY A 79 4.367 0.233 -25.135 1.00 0.00 C ATOM 308 C GLY A 79 3.397 1.394 -25.037 1.00 0.00 C ATOM 309 O GLY A 79 2.549 1.579 -25.909 1.00 0.00 O ATOM 0 H GLY A 79 6.295 0.207 -24.314 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.208 -0.291 -26.078 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.159 -0.479 -24.336 1.00 0.00 H new ATOM 313 N VAL A 80 3.520 2.177 -23.970 1.00 0.00 N ATOM 314 CA VAL A 80 2.646 3.325 -23.760 1.00 0.00 C ATOM 315 C VAL A 80 2.799 4.345 -24.883 1.00 0.00 C ATOM 316 O VAL A 80 1.837 5.008 -25.269 1.00 0.00 O ATOM 317 CB VAL A 80 2.937 4.014 -22.413 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.966 5.161 -22.179 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.870 3.006 -21.275 1.00 0.00 C ATOM 0 H VAL A 80 4.216 2.037 -23.238 1.00 0.00 H new ATOM 0 HA VAL A 80 1.624 2.947 -23.753 1.00 0.00 H new ATOM 0 HB VAL A 80 3.946 4.426 -22.445 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.187 5.635 -21.223 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.068 5.893 -22.980 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.946 4.777 -22.166 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.078 3.509 -20.331 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.874 2.564 -21.239 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.610 2.222 -21.439 1.00 0.00 H new ATOM 329 N MET A 81 4.016 4.464 -25.404 1.00 0.00 N ATOM 330 CA MET A 81 4.295 5.403 -26.485 1.00 0.00 C ATOM 331 C MET A 81 3.551 5.005 -27.756 1.00 0.00 C ATOM 332 O MET A 81 2.921 5.840 -28.405 1.00 0.00 O ATOM 333 CB MET A 81 5.799 5.465 -26.760 1.00 0.00 C ATOM 334 CG MET A 81 6.569 6.290 -25.741 1.00 0.00 C ATOM 335 SD MET A 81 6.618 8.043 -26.160 1.00 0.00 S ATOM 336 CE MET A 81 5.445 8.706 -24.980 1.00 0.00 C ATOM 0 H MET A 81 4.824 3.923 -25.096 1.00 0.00 H new ATOM 0 HA MET A 81 3.948 6.389 -26.175 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.200 4.452 -26.773 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.962 5.885 -27.753 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.111 6.168 -24.760 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.588 5.910 -25.667 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.900 9.533 -25.434 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.742 7.926 -24.688 1.00 0.00 H new ATOM 0 HE3 MET A 81 5.978 9.063 -24.099 1.00 0.00 H new ATOM 346 N ALA A 82 3.628 3.725 -28.106 1.00 0.00 N ATOM 347 CA ALA A 82 2.961 3.217 -29.298 1.00 0.00 C ATOM 348 C ALA A 82 1.445 3.298 -29.155 1.00 0.00 C ATOM 349 O ALA A 82 0.746 3.723 -30.074 1.00 0.00 O ATOM 350 CB ALA A 82 3.391 1.784 -29.574 1.00 0.00 C ATOM 0 H ALA A 82 4.146 3.021 -27.580 1.00 0.00 H new ATOM 0 HA ALA A 82 3.254 3.841 -30.142 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.885 1.418 -30.467 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.469 1.751 -29.729 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.127 1.155 -28.724 1.00 0.00 H new ATOM 356 N GLY A 83 0.942 2.886 -27.995 1.00 0.00 N ATOM 357 CA GLY A 83 -0.489 2.919 -27.753 1.00 0.00 C ATOM 358 C GLY A 83 -1.051 4.326 -27.792 1.00 0.00 C ATOM 359 O GLY A 83 -2.025 4.595 -28.495 1.00 0.00 O ATOM 0 H GLY A 83 1.500 2.530 -27.219 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.995 2.308 -28.501 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.700 2.473 -26.781 1.00 0.00 H new ATOM 363 N VAL A 84 -0.438 5.228 -27.031 1.00 0.00 N ATOM 364 CA VAL A 84 -0.883 6.615 -26.981 1.00 0.00 C ATOM 365 C VAL A 84 -0.964 7.218 -28.379 1.00 0.00 C ATOM 366 O VAL A 84 -2.022 7.682 -28.805 1.00 0.00 O ATOM 367 CB VAL A 84 0.058 7.476 -26.117 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.246 8.954 -26.305 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.055 7.082 -24.652 1.00 0.00 C ATOM 0 H VAL A 84 0.368 5.022 -26.441 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.876 6.612 -26.532 1.00 0.00 H new ATOM 0 HB VAL A 84 1.084 7.297 -26.440 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.429 9.546 -25.687 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.109 9.223 -27.352 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.276 9.154 -26.011 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.616 7.700 -24.056 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.081 7.230 -24.314 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.218 6.033 -24.535 1.00 0.00 H new ATOM 816 N ILE B 73 6.013 -9.851 -22.383 1.00 0.00 N ATOM 817 CA ILE B 73 4.797 -9.606 -23.148 1.00 0.00 C ATOM 818 C ILE B 73 3.780 -8.819 -22.328 1.00 0.00 C ATOM 819 O ILE B 73 3.298 -7.770 -22.755 1.00 0.00 O ATOM 820 CB ILE B 73 4.152 -10.923 -23.618 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.277 -11.993 -22.532 1.00 0.00 C ATOM 822 CG2 ILE B 73 4.796 -11.397 -24.912 1.00 0.00 C ATOM 823 CD1 ILE B 73 2.946 -12.545 -22.071 1.00 0.00 C ATOM 0 HA ILE B 73 5.087 -9.021 -24.021 1.00 0.00 H new ATOM 0 HB ILE B 73 3.093 -10.744 -23.806 1.00 0.00 H new ATOM 0 HG12 ILE B 73 4.890 -12.812 -22.909 1.00 0.00 H new ATOM 0 HG13 ILE B 73 4.802 -11.570 -21.675 1.00 0.00 H new ATOM 0 HG21 ILE B 73 4.329 -12.329 -25.231 1.00 0.00 H new ATOM 0 HG22 ILE B 73 4.660 -10.640 -25.685 1.00 0.00 H new ATOM 0 HG23 ILE B 73 5.861 -11.562 -24.749 1.00 0.00 H new ATOM 0 HD11 ILE B 73 3.112 -13.298 -21.301 1.00 0.00 H new ATOM 0 HD12 ILE B 73 2.338 -11.737 -21.663 1.00 0.00 H new ATOM 0 HD13 ILE B 73 2.428 -12.998 -22.916 1.00 0.00 H new ATOM 835 N THR B 74 3.459 -9.332 -21.144 1.00 0.00 N ATOM 836 CA THR B 74 2.501 -8.678 -20.262 1.00 0.00 C ATOM 837 C THR B 74 2.816 -7.195 -20.111 1.00 0.00 C ATOM 838 O THR B 74 1.933 -6.345 -20.241 1.00 0.00 O ATOM 839 CB THR B 74 2.483 -9.332 -18.868 1.00 0.00 C ATOM 840 OG1 THR B 74 2.202 -10.731 -18.986 1.00 0.00 O ATOM 841 CG2 THR B 74 1.443 -8.674 -17.974 1.00 0.00 C ATOM 0 H THR B 74 3.849 -10.199 -20.774 1.00 0.00 H new ATOM 0 HA THR B 74 1.519 -8.793 -20.722 1.00 0.00 H new ATOM 0 HB THR B 74 3.465 -9.196 -18.416 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.194 -11.139 -18.095 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.449 -9.153 -16.995 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.677 -7.615 -17.861 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.456 -8.781 -18.424 1.00 0.00 H new ATOM 849 N LEU B 75 4.079 -6.888 -19.838 1.00 0.00 N ATOM 850 CA LEU B 75 4.512 -5.505 -19.670 1.00 0.00 C ATOM 851 C LEU B 75 4.158 -4.671 -20.897 1.00 0.00 C ATOM 852 O LEU B 75 3.599 -3.580 -20.779 1.00 0.00 O ATOM 853 CB LEU B 75 6.020 -5.448 -19.418 1.00 0.00 C ATOM 854 CG LEU B 75 6.505 -6.074 -18.110 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.025 -6.108 -18.067 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.953 -5.310 -16.916 1.00 0.00 C ATOM 0 H LEU B 75 4.822 -7.578 -19.728 1.00 0.00 H new ATOM 0 HA LEU B 75 3.990 -5.089 -18.808 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.526 -5.946 -20.245 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.332 -4.404 -19.436 1.00 0.00 H new ATOM 0 HG LEU B 75 6.137 -7.099 -18.061 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.353 -6.557 -17.129 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.399 -6.699 -18.902 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.414 -5.092 -18.139 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.309 -5.770 -15.994 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.291 -4.275 -16.959 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.864 -5.338 -16.938 1.00 0.00 H new ATOM 868 N ILE B 76 4.486 -5.192 -22.075 1.00 0.00 N ATOM 869 CA ILE B 76 4.200 -4.497 -23.323 1.00 0.00 C ATOM 870 C ILE B 76 2.714 -4.176 -23.446 1.00 0.00 C ATOM 871 O ILE B 76 2.338 -3.055 -23.790 1.00 0.00 O ATOM 872 CB ILE B 76 4.636 -5.330 -24.544 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.099 -5.755 -24.402 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.431 -4.537 -25.826 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.069 -4.593 -24.405 1.00 0.00 C ATOM 0 H ILE B 76 4.950 -6.093 -22.191 1.00 0.00 H new ATOM 0 HA ILE B 76 4.770 -3.568 -23.304 1.00 0.00 H new ATOM 0 HB ILE B 76 4.020 -6.228 -24.593 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.218 -6.315 -23.474 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.353 -6.432 -25.218 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.743 -5.138 -26.680 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.377 -4.279 -25.930 1.00 0.00 H new ATOM 0 HG23 ILE B 76 5.026 -3.624 -25.788 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.087 -4.969 -24.301 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.978 -4.046 -25.343 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.841 -3.927 -23.573 1.00 0.00 H new ATOM 887 N ILE B 77 1.875 -5.166 -23.161 1.00 0.00 N ATOM 888 CA ILE B 77 0.430 -4.988 -23.237 1.00 0.00 C ATOM 889 C ILE B 77 -0.050 -3.957 -22.221 1.00 0.00 C ATOM 890 O ILE B 77 -0.785 -3.030 -22.561 1.00 0.00 O ATOM 891 CB ILE B 77 -0.314 -6.315 -22.996 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.193 -7.391 -23.958 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.814 -6.117 -23.156 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.605 -8.674 -23.904 1.00 0.00 C ATOM 0 H ILE B 77 2.171 -6.099 -22.875 1.00 0.00 H new ATOM 0 HA ILE B 77 0.207 -4.634 -24.244 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.118 -6.645 -21.976 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.167 -6.999 -24.975 1.00 0.00 H new ATOM 0 HG13 ILE B 77 1.235 -7.611 -23.728 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.326 -7.063 -22.983 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.163 -5.378 -22.434 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.029 -5.767 -24.166 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.189 -9.391 -24.612 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.559 -9.089 -22.897 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -1.643 -8.468 -24.164 1.00 0.00 H new ATOM 906 N PHE B 78 0.372 -4.124 -20.972 1.00 0.00 N ATOM 907 CA PHE B 78 -0.015 -3.208 -19.905 1.00 0.00 C ATOM 908 C PHE B 78 0.322 -1.767 -20.278 1.00 0.00 C ATOM 909 O PHE B 78 -0.506 -0.868 -20.136 1.00 0.00 O ATOM 910 CB PHE B 78 0.688 -3.586 -18.600 1.00 0.00 C ATOM 911 CG PHE B 78 0.543 -2.552 -17.520 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.537 -2.584 -16.652 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.487 -1.548 -17.373 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.672 -1.633 -15.658 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.356 -0.594 -16.380 1.00 0.00 C ATOM 916 CZ PHE B 78 0.276 -0.638 -15.521 1.00 0.00 C ATOM 0 H PHE B 78 0.982 -4.885 -20.674 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.093 -3.287 -19.765 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.286 -4.533 -18.241 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.748 -3.745 -18.800 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.281 -3.360 -16.753 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.335 -1.510 -18.041 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.519 -1.668 -14.989 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.098 0.184 -16.277 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.173 0.104 -14.743 1.00 0.00 H new ATOM 926 N GLY B 79 1.544 -1.555 -20.756 1.00 0.00 N ATOM 927 CA GLY B 79 1.970 -0.222 -21.141 1.00 0.00 C ATOM 928 C GLY B 79 1.059 0.400 -22.181 1.00 0.00 C ATOM 929 O GLY B 79 0.548 1.503 -21.989 1.00 0.00 O ATOM 0 H GLY B 79 2.247 -2.283 -20.884 1.00 0.00 H new ATOM 0 HA2 GLY B 79 1.997 0.417 -20.258 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.986 -0.268 -21.533 1.00 0.00 H new ATOM 933 N VAL B 80 0.855 -0.310 -23.286 1.00 0.00 N ATOM 934 CA VAL B 80 -0.001 0.179 -24.361 1.00 0.00 C ATOM 935 C VAL B 80 -1.435 0.369 -23.879 1.00 0.00 C ATOM 936 O VAL B 80 -2.133 1.280 -24.322 1.00 0.00 O ATOM 937 CB VAL B 80 0.002 -0.784 -25.563 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.834 -0.220 -26.702 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.426 -1.059 -26.021 1.00 0.00 C ATOM 0 H VAL B 80 1.270 -1.225 -23.460 1.00 0.00 H new ATOM 0 HA VAL B 80 0.404 1.141 -24.675 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.444 -1.728 -25.251 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.820 -0.914 -27.542 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.861 -0.079 -26.365 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.421 0.738 -27.016 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.409 -1.741 -26.871 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.900 -0.123 -26.316 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.990 -1.510 -25.205 1.00 0.00 H new ATOM 949 N MET B 81 -1.867 -0.497 -22.969 1.00 0.00 N ATOM 950 CA MET B 81 -3.218 -0.424 -22.425 1.00 0.00 C ATOM 951 C MET B 81 -3.410 0.857 -21.619 1.00 0.00 C ATOM 952 O MET B 81 -4.410 1.557 -21.778 1.00 0.00 O ATOM 953 CB MET B 81 -3.503 -1.642 -21.544 1.00 0.00 C ATOM 954 CG MET B 81 -3.824 -2.900 -22.333 1.00 0.00 C ATOM 955 SD MET B 81 -4.019 -4.350 -21.279 1.00 0.00 S ATOM 956 CE MET B 81 -5.733 -4.184 -20.787 1.00 0.00 C ATOM 0 H MET B 81 -1.301 -1.258 -22.593 1.00 0.00 H new ATOM 0 HA MET B 81 -3.919 -0.417 -23.259 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.637 -1.832 -20.909 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.339 -1.414 -20.883 1.00 0.00 H new ATOM 0 HG2 MET B 81 -4.740 -2.743 -22.902 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.028 -3.085 -23.055 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.005 -5.010 -20.130 1.00 0.00 H new ATOM 0 HE2 MET B 81 -5.870 -3.240 -20.259 1.00 0.00 H new ATOM 0 HE3 MET B 81 -6.369 -4.200 -21.672 1.00 0.00 H new ATOM 966 N ALA B 82 -2.447 1.158 -20.755 1.00 0.00 N ATOM 967 CA ALA B 82 -2.511 2.355 -19.926 1.00 0.00 C ATOM 968 C ALA B 82 -2.422 3.617 -20.778 1.00 0.00 C ATOM 969 O ALA B 82 -3.180 4.566 -20.579 1.00 0.00 O ATOM 970 CB ALA B 82 -1.399 2.338 -18.888 1.00 0.00 C ATOM 0 H ALA B 82 -1.613 0.589 -20.611 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.472 2.361 -19.412 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.459 3.238 -18.276 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.508 1.459 -18.253 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.432 2.305 -19.391 1.00 0.00 H new ATOM 976 N GLY B 83 -1.491 3.622 -21.727 1.00 0.00 N ATOM 977 CA GLY B 83 -1.320 4.773 -22.593 1.00 0.00 C ATOM 978 C GLY B 83 -2.546 5.046 -23.442 1.00 0.00 C ATOM 979 O GLY B 83 -3.056 6.166 -23.467 1.00 0.00 O ATOM 0 H GLY B 83 -0.852 2.849 -21.911 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.099 5.651 -21.986 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.460 4.610 -23.243 1.00 0.00 H new ATOM 983 N VAL B 84 -3.019 4.021 -24.143 1.00 0.00 N ATOM 984 CA VAL B 84 -4.193 4.155 -24.998 1.00 0.00 C ATOM 985 C VAL B 84 -5.372 4.735 -24.225 1.00 0.00 C ATOM 986 O VAL B 84 -5.917 5.776 -24.593 1.00 0.00 O ATOM 987 CB VAL B 84 -4.605 2.800 -25.602 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.970 2.905 -26.266 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.557 2.318 -26.593 1.00 0.00 C ATOM 0 H VAL B 84 -2.607 3.088 -24.136 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.921 4.836 -25.805 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.674 2.068 -24.797 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.245 1.938 -26.687 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.713 3.203 -25.526 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.931 3.650 -27.061 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.864 1.359 -27.010 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.454 3.047 -27.397 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.600 2.202 -26.083 1.00 0.00 H new ATOM 999 N ILE B 85 -5.762 4.054 -23.153 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.876 4.503 -22.327 1.00 0.00 C ATOM 1001 C ILE B 85 -6.656 5.929 -21.835 1.00 0.00 C ATOM 1002 O ILE B 85 -7.581 6.740 -21.816 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.084 3.579 -21.112 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.416 2.159 -21.575 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.188 4.122 -20.217 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.736 2.055 -22.307 1.00 0.00 C ATOM 0 H ILE B 85 -5.323 3.189 -22.836 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.767 4.471 -22.954 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.159 3.546 -20.536 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.619 1.803 -22.228 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.438 1.499 -20.708 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.323 3.458 -19.363 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.914 5.116 -19.864 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.118 4.181 -20.782 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.906 1.021 -22.606 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.543 2.380 -21.650 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.712 2.689 -23.193 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.423 6.229 -21.437 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.103 7.558 -20.951 1.00 0.00 C ATOM 1020 C GLY B 86 -5.393 8.636 -21.977 1.00 0.00 C ATOM 1021 O GLY B 86 -6.081 9.614 -21.684 1.00 0.00 O ATOM 0 H GLY B 86 -4.640 5.575 -21.443 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.676 7.758 -20.046 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.049 7.597 -20.676 1.00 0.00 H new ATOM 1025 N THR B 87 -4.867 8.459 -23.185 1.00 0.00 N ATOM 1026 CA THR B 87 -5.071 9.425 -24.257 1.00 0.00 C ATOM 1027 C THR B 87 -6.556 9.638 -24.530 1.00 0.00 C ATOM 1028 O THR B 87 -7.012 10.771 -24.682 1.00 0.00 O ATOM 1029 CB THR B 87 -4.381 8.975 -25.558 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.105 8.395 -25.261 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.201 10.148 -26.509 1.00 0.00 C ATOM 0 H THR B 87 -4.296 7.655 -23.445 1.00 0.00 H new ATOM 0 HA THR B 87 -4.627 10.363 -23.925 1.00 0.00 H new ATOM 0 HB THR B 87 -5.015 8.231 -26.040 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.687 8.885 -24.522 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.712 9.805 -27.421 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.176 10.569 -26.756 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.587 10.912 -26.032 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.304 8.542 -24.590 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.738 8.609 -24.843 1.00 0.00 C ATOM 1041 C ILE B 88 -9.429 9.536 -23.848 1.00 0.00 C ATOM 1042 O ILE B 88 -10.173 10.438 -24.236 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.390 7.216 -24.767 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.757 6.276 -25.796 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.891 7.321 -24.990 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.918 4.811 -25.455 1.00 0.00 C ATOM 0 H ILE B 88 -6.941 7.597 -24.467 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.862 9.004 -25.851 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.218 6.804 -23.773 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.204 6.465 -26.772 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.695 6.506 -25.882 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.338 6.328 -24.933 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.329 7.960 -24.223 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.084 7.750 -25.973 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.446 4.204 -26.227 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.446 4.607 -24.494 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.978 4.565 -25.398 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.176 9.310 -22.564 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.772 10.126 -21.512 1.00 0.00 C ATOM 1060 C LEU B 89 -9.443 11.602 -21.716 1.00 0.00 C ATOM 1061 O LEU B 89 -10.337 12.449 -21.746 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.275 9.666 -20.140 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.888 8.372 -19.604 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.032 7.800 -18.484 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.310 8.614 -19.121 1.00 0.00 C ATOM 0 H LEU B 89 -8.562 8.569 -22.226 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.854 10.004 -21.560 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.194 9.538 -20.191 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.468 10.461 -19.420 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.921 7.645 -20.416 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.484 6.879 -18.115 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.032 7.587 -18.863 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.966 8.523 -17.671 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.730 7.682 -18.743 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.302 9.358 -18.324 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.919 8.977 -19.949 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.157 11.902 -21.857 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.710 13.276 -22.060 1.00 0.00 C ATOM 1079 C LEU B 90 -8.367 13.885 -23.295 1.00 0.00 C ATOM 1080 O LEU B 90 -8.941 14.973 -23.232 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.188 13.322 -22.204 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.387 12.694 -21.062 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.058 12.161 -21.573 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.165 13.706 -19.948 1.00 0.00 C ATOM 0 H LEU B 90 -7.405 11.213 -21.835 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.004 13.860 -21.188 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.915 12.819 -23.132 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.884 14.364 -22.305 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.959 11.859 -20.658 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.502 11.718 -20.747 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.239 11.404 -22.336 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.479 12.978 -22.003 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.594 13.242 -19.144 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.614 14.562 -20.338 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.128 14.040 -19.563 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.281 13.176 -24.415 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.871 13.645 -25.663 1.00 0.00 C ATOM 1098 C ILE B 91 -10.354 13.954 -25.489 1.00 0.00 C ATOM 1099 O ILE B 91 -10.828 15.018 -25.887 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.703 12.609 -26.790 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.234 12.510 -27.207 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.573 12.977 -27.982 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.699 13.775 -27.841 1.00 0.00 C ATOM 0 H ILE B 91 -7.809 12.275 -24.484 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.342 14.558 -25.938 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.022 11.635 -26.418 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.632 12.269 -26.331 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.119 11.685 -27.909 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.443 12.235 -28.770 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.619 13.001 -27.675 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.282 13.958 -28.356 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.653 13.632 -28.111 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.277 14.006 -28.736 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -6.782 14.600 -27.133 1.00 0.00 H new ATOM 1115 N SER B 92 -11.081 13.017 -24.889 1.00 0.00 N ATOM 1116 CA SER B 92 -12.511 13.188 -24.663 1.00 0.00 C ATOM 1117 C SER B 92 -12.790 14.475 -23.893 1.00 0.00 C ATOM 1118 O SER B 92 -13.849 15.084 -24.042 1.00 0.00 O ATOM 1119 CB SER B 92 -13.075 11.990 -23.896 1.00 0.00 C ATOM 1120 OG SER B 92 -13.114 10.833 -24.714 1.00 0.00 O ATOM 0 H SER B 92 -10.703 12.132 -24.551 1.00 0.00 H new ATOM 0 HA SER B 92 -13.001 13.253 -25.634 1.00 0.00 H new ATOM 0 HB2 SER B 92 -12.462 11.796 -23.016 1.00 0.00 H new ATOM 0 HB3 SER B 92 -14.079 12.222 -23.540 1.00 0.00 H new ATOM 0 HG SER B 92 -12.222 10.428 -24.750 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.831 14.883 -23.069 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.972 16.097 -22.273 1.00 0.00 C ATOM 1128 C TYR B 93 -11.846 17.340 -23.148 1.00 0.00 C ATOM 1129 O TYR B 93 -12.538 18.335 -22.937 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.919 16.130 -21.165 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.169 17.198 -20.124 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -10.853 18.528 -20.376 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -11.720 16.878 -18.889 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -11.079 19.507 -19.428 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.950 17.851 -17.936 1.00 0.00 C ATOM 1136 CZ TYR B 93 -11.628 19.164 -18.210 1.00 0.00 C ATOM 1137 OH TYR B 93 -11.855 20.136 -17.263 1.00 0.00 O ATOM 0 H TYR B 93 -10.948 14.391 -22.935 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.964 16.092 -21.822 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.889 15.157 -20.675 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -9.938 16.293 -21.612 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -10.424 18.800 -21.329 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -11.973 15.851 -18.671 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -10.827 20.536 -19.639 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -12.380 17.585 -16.981 1.00 0.00 H new ATOM 0 HH TYR B 93 -12.246 19.728 -16.463 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.955 17.274 -24.133 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.752 18.400 -25.027 1.00 0.00 C ATOM 1149 C GLY B 94 -11.981 18.706 -25.861 1.00 0.00 C ATOM 1150 O GLY B 94 -12.285 19.870 -26.125 1.00 0.00 O ATOM 0 H GLY B 94 -10.370 16.461 -24.328 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.485 19.280 -24.443 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.911 18.189 -25.688 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.687 17.661 -26.277 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.888 17.825 -27.086 1.00 0.00 C ATOM 1156 C ILE B 95 -14.989 18.529 -26.300 1.00 0.00 C ATOM 1157 O ILE B 95 -15.799 19.263 -26.867 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.419 16.469 -27.587 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.355 15.760 -28.429 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.695 16.664 -28.392 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -12.953 16.529 -29.667 1.00 0.00 C ATOM 0 H ILE B 95 -12.448 16.692 -26.067 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.609 18.437 -27.944 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.649 15.844 -26.724 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.471 15.589 -27.814 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.731 14.781 -28.726 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.058 15.696 -28.739 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.453 17.132 -27.764 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.489 17.304 -29.250 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.196 15.967 -30.215 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.826 16.677 -30.303 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -12.547 17.498 -29.377 1.00 0.00 H new ATOM 1173 N ARG B 96 -15.011 18.302 -24.990 1.00 0.00 N ATOM 1174 CA ARG B 96 -16.012 18.915 -24.126 1.00 0.00 C ATOM 1175 C ARG B 96 -15.700 20.391 -23.895 1.00 0.00 C ATOM 1176 O ARG B 96 -16.594 21.237 -23.926 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.077 18.181 -22.785 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.476 18.119 -22.192 1.00 0.00 C ATOM 1179 CD ARG B 96 -17.795 19.368 -21.387 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.993 19.201 -20.569 1.00 0.00 N ATOM 1181 CZ ARG B 96 -20.229 19.271 -21.052 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -20.427 19.504 -22.341 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -21.268 19.107 -20.243 1.00 0.00 N ATOM 0 H ARG B 96 -14.347 17.698 -24.505 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.980 18.839 -24.622 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.702 17.166 -22.917 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.413 18.676 -22.077 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -18.207 18.004 -22.992 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.563 17.241 -21.553 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -16.949 19.611 -20.745 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -17.933 20.210 -22.065 1.00 0.00 H new ATOM 0 HE ARG B 96 -18.875 19.021 -19.572 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -19.630 19.630 -22.965 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -21.377 19.557 -22.710 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -21.118 18.927 -19.250 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -22.217 19.161 -20.614 1.00 0.00 H new