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 -37:sc= -2.16! USER MOD Single : B 92 SER OG : rot -51:sc= 1.22 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N ILE A 73 12.078 -1.289 -18.152 1.00 0.00 N ATOM 197 CA ILE A 73 11.657 0.106 -18.186 1.00 0.00 C ATOM 198 C ILE A 73 11.363 0.556 -19.613 1.00 0.00 C ATOM 199 O ILE A 73 10.257 1.003 -19.920 1.00 0.00 O ATOM 200 CB ILE A 73 12.727 1.032 -17.578 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.092 0.567 -16.167 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.233 2.470 -17.557 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.097 1.463 -15.476 1.00 0.00 C ATOM 0 HA ILE A 73 10.747 0.176 -17.590 1.00 0.00 H new ATOM 0 HB ILE A 73 13.622 0.986 -18.198 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.186 0.518 -15.563 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.495 -0.444 -16.219 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.000 3.112 -17.125 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.018 2.796 -18.575 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.326 2.534 -16.957 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.309 1.073 -14.481 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.018 1.493 -16.058 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.689 2.470 -15.391 1.00 0.00 H new ATOM 215 N THR A 74 12.360 0.434 -20.484 1.00 0.00 N ATOM 216 CA THR A 74 12.209 0.828 -21.879 1.00 0.00 C ATOM 217 C THR A 74 10.950 0.222 -22.488 1.00 0.00 C ATOM 218 O THR A 74 10.199 0.900 -23.191 1.00 0.00 O ATOM 219 CB THR A 74 13.429 0.402 -22.718 1.00 0.00 C ATOM 220 OG1 THR A 74 14.628 0.937 -22.147 1.00 0.00 O ATOM 221 CG2 THR A 74 13.289 0.879 -24.156 1.00 0.00 C ATOM 0 H THR A 74 13.281 0.065 -20.247 1.00 0.00 H new ATOM 0 HA THR A 74 12.129 1.915 -21.894 1.00 0.00 H new ATOM 0 HB THR A 74 13.481 -0.687 -22.716 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.399 0.660 -22.685 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.162 0.567 -24.729 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.391 0.446 -24.597 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.214 1.966 -24.173 1.00 0.00 H new ATOM 229 N LEU A 75 10.724 -1.058 -22.215 1.00 0.00 N ATOM 230 CA LEU A 75 9.554 -1.757 -22.736 1.00 0.00 C ATOM 231 C LEU A 75 8.269 -1.039 -22.337 1.00 0.00 C ATOM 232 O LEU A 75 7.409 -0.772 -23.177 1.00 0.00 O ATOM 233 CB LEU A 75 9.527 -3.198 -22.225 1.00 0.00 C ATOM 234 CG LEU A 75 10.487 -4.172 -22.909 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.364 -5.560 -22.301 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.222 -4.218 -24.407 1.00 0.00 C ATOM 0 H LEU A 75 11.335 -1.633 -21.636 1.00 0.00 H new ATOM 0 HA LEU A 75 9.621 -1.766 -23.824 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.751 -3.188 -21.158 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.513 -3.582 -22.335 1.00 0.00 H new ATOM 0 HG LEU A 75 11.506 -3.819 -22.751 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.055 -6.239 -22.801 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.605 -5.515 -21.239 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.344 -5.923 -22.427 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.914 -4.916 -24.878 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.198 -4.546 -24.585 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.364 -3.224 -24.832 1.00 0.00 H new ATOM 248 N ILE A 76 8.146 -0.729 -21.051 1.00 0.00 N ATOM 249 CA ILE A 76 6.967 -0.039 -20.541 1.00 0.00 C ATOM 250 C ILE A 76 6.736 1.274 -21.282 1.00 0.00 C ATOM 251 O ILE A 76 5.615 1.578 -21.691 1.00 0.00 O ATOM 252 CB ILE A 76 7.092 0.250 -19.034 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.280 -1.054 -18.256 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.865 0.999 -18.535 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.157 -2.046 -18.460 1.00 0.00 C ATOM 0 H ILE A 76 8.848 -0.945 -20.343 1.00 0.00 H new ATOM 0 HA ILE A 76 6.117 -0.701 -20.706 1.00 0.00 H new ATOM 0 HB ILE A 76 7.968 0.878 -18.871 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.221 -1.515 -18.557 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.363 -0.825 -17.194 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.968 1.196 -17.468 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.772 1.943 -19.071 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.975 0.395 -18.708 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.357 -2.946 -17.879 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.217 -1.603 -18.132 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.087 -2.304 -19.517 1.00 0.00 H new ATOM 267 N ILE A 77 7.803 2.047 -21.452 1.00 0.00 N ATOM 268 CA ILE A 77 7.716 3.326 -22.146 1.00 0.00 C ATOM 269 C ILE A 77 7.302 3.134 -23.601 1.00 0.00 C ATOM 270 O ILE A 77 6.379 3.789 -24.086 1.00 0.00 O ATOM 271 CB ILE A 77 9.057 4.083 -22.102 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.487 4.318 -20.652 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.945 5.404 -22.848 1.00 0.00 C ATOM 274 CD1 ILE A 77 10.713 5.194 -20.520 1.00 0.00 C ATOM 0 H ILE A 77 8.738 1.810 -21.119 1.00 0.00 H new ATOM 0 HA ILE A 77 6.958 3.915 -21.629 1.00 0.00 H new ATOM 0 HB ILE A 77 9.817 3.475 -22.593 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.662 4.777 -20.107 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.685 3.356 -20.180 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.901 5.927 -22.808 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.679 5.213 -23.888 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.175 6.020 -22.384 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.960 5.318 -19.466 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.551 4.727 -21.037 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.512 6.170 -20.962 1.00 0.00 H new ATOM 286 N PHE A 78 7.989 2.232 -24.293 1.00 0.00 N ATOM 287 CA PHE A 78 7.692 1.953 -25.693 1.00 0.00 C ATOM 288 C PHE A 78 6.222 1.588 -25.875 1.00 0.00 C ATOM 289 O PHE A 78 5.543 2.119 -26.752 1.00 0.00 O ATOM 290 CB PHE A 78 8.579 0.817 -26.208 1.00 0.00 C ATOM 291 CG PHE A 78 8.181 0.315 -27.567 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.670 0.919 -28.714 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.318 -0.762 -27.697 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.305 0.459 -29.965 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.949 -1.226 -28.945 1.00 0.00 C ATOM 296 CZ PHE A 78 7.444 -0.616 -30.081 1.00 0.00 C ATOM 0 H PHE A 78 8.756 1.681 -23.907 1.00 0.00 H new ATOM 0 HA PHE A 78 7.898 2.855 -26.269 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.612 1.162 -26.245 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.544 -0.010 -25.499 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.344 1.759 -28.630 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.929 -1.244 -26.812 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.692 0.939 -30.851 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.274 -2.065 -29.032 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.159 -0.978 -31.058 1.00 0.00 H new ATOM 306 N GLY A 79 5.737 0.675 -25.038 1.00 0.00 N ATOM 307 CA GLY A 79 4.350 0.254 -25.123 1.00 0.00 C ATOM 308 C GLY A 79 3.384 1.417 -25.020 1.00 0.00 C ATOM 309 O GLY A 79 2.533 1.606 -25.890 1.00 0.00 O ATOM 0 H GLY A 79 6.279 0.220 -24.304 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.189 -0.266 -26.067 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.141 -0.460 -24.326 1.00 0.00 H new ATOM 313 N VAL A 80 3.512 2.198 -23.952 1.00 0.00 N ATOM 314 CA VAL A 80 2.642 3.348 -23.738 1.00 0.00 C ATOM 315 C VAL A 80 2.796 4.370 -24.858 1.00 0.00 C ATOM 316 O VAL A 80 1.833 5.032 -25.245 1.00 0.00 O ATOM 317 CB VAL A 80 2.938 4.032 -22.390 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.967 5.179 -22.148 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.875 3.022 -21.255 1.00 0.00 C ATOM 0 H VAL A 80 4.210 2.055 -23.222 1.00 0.00 H new ATOM 0 HA VAL A 80 1.618 2.973 -23.730 1.00 0.00 H new ATOM 0 HB VAL A 80 3.947 4.443 -22.425 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.192 5.650 -21.191 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.066 5.914 -22.947 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.947 4.795 -22.133 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.087 3.523 -20.310 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.879 2.580 -21.216 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.614 2.238 -21.424 1.00 0.00 H new ATOM 329 N MET A 81 4.014 4.493 -25.376 1.00 0.00 N ATOM 330 CA MET A 81 4.294 5.434 -26.454 1.00 0.00 C ATOM 331 C MET A 81 3.557 5.035 -27.729 1.00 0.00 C ATOM 332 O MET A 81 2.934 5.870 -28.384 1.00 0.00 O ATOM 333 CB MET A 81 5.799 5.503 -26.722 1.00 0.00 C ATOM 334 CG MET A 81 6.561 6.328 -25.697 1.00 0.00 C ATOM 335 SD MET A 81 6.426 8.101 -25.993 1.00 0.00 S ATOM 336 CE MET A 81 7.242 8.750 -24.536 1.00 0.00 C ATOM 0 H MET A 81 4.822 3.953 -25.067 1.00 0.00 H new ATOM 0 HA MET A 81 3.942 6.418 -26.144 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.204 4.491 -26.736 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.964 5.926 -27.713 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.184 6.100 -24.700 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.612 6.040 -25.713 1.00 0.00 H new ATOM 0 HE1 MET A 81 7.239 9.839 -24.572 1.00 0.00 H new ATOM 0 HE2 MET A 81 6.713 8.416 -23.643 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.271 8.390 -24.504 1.00 0.00 H new ATOM 346 N ALA A 82 3.634 3.754 -28.075 1.00 0.00 N ATOM 347 CA ALA A 82 2.973 3.245 -29.270 1.00 0.00 C ATOM 348 C ALA A 82 1.456 3.327 -29.136 1.00 0.00 C ATOM 349 O ALA A 82 0.764 3.763 -30.054 1.00 0.00 O ATOM 350 CB ALA A 82 3.404 1.812 -29.542 1.00 0.00 C ATOM 0 H ALA A 82 4.147 3.050 -27.545 1.00 0.00 H new ATOM 0 HA ALA A 82 3.271 3.868 -30.113 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.902 1.445 -30.437 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.483 1.779 -29.691 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.136 1.184 -28.693 1.00 0.00 H new ATOM 356 N GLY A 83 0.945 2.903 -27.984 1.00 0.00 N ATOM 357 CA GLY A 83 -0.487 2.936 -27.750 1.00 0.00 C ATOM 358 C GLY A 83 -1.050 4.343 -27.795 1.00 0.00 C ATOM 359 O GLY A 83 -2.015 4.611 -28.510 1.00 0.00 O ATOM 0 H GLY A 83 1.497 2.537 -27.208 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.989 2.323 -28.499 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.703 2.492 -26.778 1.00 0.00 H new ATOM 363 N VAL A 84 -0.446 5.244 -27.027 1.00 0.00 N ATOM 364 CA VAL A 84 -0.892 6.632 -26.981 1.00 0.00 C ATOM 365 C VAL A 84 -0.961 7.234 -28.379 1.00 0.00 C ATOM 366 O VAL A 84 -2.012 7.709 -28.811 1.00 0.00 O ATOM 367 CB VAL A 84 0.040 7.493 -26.108 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.271 8.970 -26.290 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.078 7.091 -24.646 1.00 0.00 C ATOM 0 H VAL A 84 0.354 5.038 -26.428 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.889 6.629 -26.541 1.00 0.00 H new ATOM 0 HB VAL A 84 1.068 7.321 -26.426 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.398 9.562 -25.665 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.130 9.245 -27.335 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.304 9.163 -26.000 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.587 7.710 -24.044 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.106 7.232 -24.312 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.200 6.043 -24.533 1.00 0.00 H new ATOM 816 N ILE B 73 5.855 -9.864 -22.344 1.00 0.00 N ATOM 817 CA ILE B 73 4.636 -9.603 -23.101 1.00 0.00 C ATOM 818 C ILE B 73 3.638 -8.799 -22.275 1.00 0.00 C ATOM 819 O ILE B 73 3.167 -7.745 -22.703 1.00 0.00 O ATOM 820 CB ILE B 73 3.968 -10.912 -23.561 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.934 -11.727 -24.424 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.688 -10.613 -24.327 1.00 0.00 C ATOM 823 CD1 ILE B 73 5.414 -10.990 -25.655 1.00 0.00 C ATOM 0 HA ILE B 73 4.927 -9.025 -23.978 1.00 0.00 H new ATOM 0 HB ILE B 73 3.712 -11.501 -22.680 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.797 -12.010 -23.821 1.00 0.00 H new ATOM 0 HG13 ILE B 73 4.443 -12.650 -24.732 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.228 -11.548 -24.645 1.00 0.00 H new ATOM 0 HG22 ILE B 73 1.997 -10.069 -23.683 1.00 0.00 H new ATOM 0 HG23 ILE B 73 2.921 -10.007 -25.202 1.00 0.00 H new ATOM 0 HD11 ILE B 73 6.095 -11.628 -26.219 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.559 -10.730 -26.280 1.00 0.00 H new ATOM 0 HD13 ILE B 73 5.934 -10.080 -25.355 1.00 0.00 H new ATOM 835 N THR B 74 3.320 -9.303 -21.087 1.00 0.00 N ATOM 836 CA THR B 74 2.378 -8.632 -20.199 1.00 0.00 C ATOM 837 C THR B 74 2.720 -7.154 -20.051 1.00 0.00 C ATOM 838 O THR B 74 1.850 -6.290 -20.165 1.00 0.00 O ATOM 839 CB THR B 74 2.357 -9.285 -18.804 1.00 0.00 C ATOM 840 OG1 THR B 74 1.873 -10.629 -18.900 1.00 0.00 O ATOM 841 CG2 THR B 74 1.481 -8.491 -17.848 1.00 0.00 C ATOM 0 H THR B 74 3.701 -10.174 -20.717 1.00 0.00 H new ATOM 0 HA THR B 74 1.392 -8.731 -20.652 1.00 0.00 H new ATOM 0 HB THR B 74 3.375 -9.293 -18.415 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.864 -11.038 -18.009 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.482 -8.971 -16.870 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.870 -7.477 -17.755 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.462 -8.454 -18.233 1.00 0.00 H new ATOM 849 N LEU B 75 3.993 -6.869 -19.797 1.00 0.00 N ATOM 850 CA LEU B 75 4.451 -5.493 -19.634 1.00 0.00 C ATOM 851 C LEU B 75 4.097 -4.653 -20.856 1.00 0.00 C ATOM 852 O LEU B 75 3.546 -3.559 -20.732 1.00 0.00 O ATOM 853 CB LEU B 75 5.962 -5.462 -19.399 1.00 0.00 C ATOM 854 CG LEU B 75 6.450 -6.081 -18.089 1.00 0.00 C ATOM 855 CD1 LEU B 75 7.970 -6.126 -18.053 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.910 -5.302 -16.898 1.00 0.00 C ATOM 0 H LEU B 75 4.726 -7.572 -19.700 1.00 0.00 H new ATOM 0 HA LEU B 75 3.946 -5.068 -18.766 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.449 -5.979 -20.226 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.294 -4.424 -19.433 1.00 0.00 H new ATOM 0 HG LEU B 75 6.075 -7.103 -18.031 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.299 -6.570 -17.113 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.336 -6.727 -18.886 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.366 -5.114 -18.134 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.267 -5.756 -15.974 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.255 -4.270 -16.952 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.820 -5.322 -16.914 1.00 0.00 H new ATOM 868 N ILE B 76 4.416 -5.173 -22.037 1.00 0.00 N ATOM 869 CA ILE B 76 4.129 -4.471 -23.282 1.00 0.00 C ATOM 870 C ILE B 76 2.644 -4.142 -23.398 1.00 0.00 C ATOM 871 O ILE B 76 2.273 -3.023 -23.752 1.00 0.00 O ATOM 872 CB ILE B 76 4.556 -5.302 -24.507 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.019 -5.729 -24.376 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.344 -4.506 -25.786 1.00 0.00 C ATOM 875 CD1 ILE B 76 6.991 -4.570 -24.394 1.00 0.00 C ATOM 0 H ILE B 76 4.873 -6.077 -22.158 1.00 0.00 H new ATOM 0 HA ILE B 76 4.703 -3.545 -23.262 1.00 0.00 H new ATOM 0 HB ILE B 76 3.938 -6.199 -24.553 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.145 -6.284 -23.446 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.264 -6.411 -25.190 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.650 -5.106 -26.643 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.290 -4.247 -25.883 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.940 -3.594 -25.750 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.009 -4.947 -24.297 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.893 -4.028 -25.334 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.772 -3.899 -23.564 1.00 0.00 H new ATOM 887 N ILE B 77 1.801 -5.123 -23.096 1.00 0.00 N ATOM 888 CA ILE B 77 0.357 -4.936 -23.163 1.00 0.00 C ATOM 889 C ILE B 77 -0.110 -3.894 -22.153 1.00 0.00 C ATOM 890 O ILE B 77 -0.844 -2.967 -22.495 1.00 0.00 O ATOM 891 CB ILE B 77 -0.394 -6.256 -22.908 1.00 0.00 C ATOM 892 CG1 ILE B 77 -0.072 -7.273 -24.005 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.893 -6.007 -22.833 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.672 -6.922 -25.348 1.00 0.00 C ATOM 0 H ILE B 77 2.093 -6.055 -22.803 1.00 0.00 H new ATOM 0 HA ILE B 77 0.130 -4.588 -24.171 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.065 -6.664 -21.953 1.00 0.00 H new ATOM 0 HG12 ILE B 77 1.010 -7.353 -24.109 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.436 -8.254 -23.698 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.410 -6.950 -22.652 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.106 -5.314 -22.019 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.238 -5.578 -23.774 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.403 -7.686 -26.077 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.757 -6.871 -25.259 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.289 -5.956 -25.676 1.00 0.00 H new ATOM 906 N PHE B 78 0.321 -4.053 -20.906 1.00 0.00 N ATOM 907 CA PHE B 78 -0.053 -3.125 -19.844 1.00 0.00 C ATOM 908 C PHE B 78 0.293 -1.690 -20.229 1.00 0.00 C ATOM 909 O PHE B 78 -0.532 -0.786 -20.105 1.00 0.00 O ATOM 910 CB PHE B 78 0.654 -3.500 -18.539 1.00 0.00 C ATOM 911 CG PHE B 78 0.519 -2.459 -17.465 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.561 -2.475 -16.597 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.473 -1.464 -17.322 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.687 -1.518 -15.608 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.352 -0.504 -16.335 1.00 0.00 C ATOM 916 CZ PHE B 78 0.271 -0.532 -15.476 1.00 0.00 C ATOM 0 H PHE B 78 0.929 -4.815 -20.606 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.131 -3.193 -19.698 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.248 -4.443 -18.173 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.712 -3.666 -18.743 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.313 -3.244 -16.694 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.321 -1.438 -17.990 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.534 -1.541 -14.939 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.102 0.267 -16.236 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.175 0.216 -14.703 1.00 0.00 H new ATOM 926 N GLY B 79 1.522 -1.489 -20.697 1.00 0.00 N ATOM 927 CA GLY B 79 1.956 -0.162 -21.092 1.00 0.00 C ATOM 928 C GLY B 79 1.048 0.459 -22.135 1.00 0.00 C ATOM 929 O GLY B 79 0.535 1.562 -21.945 1.00 0.00 O ATOM 0 H GLY B 79 2.223 -2.221 -20.809 1.00 0.00 H new ATOM 0 HA2 GLY B 79 1.989 0.482 -20.214 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.971 -0.217 -21.485 1.00 0.00 H new ATOM 933 N VAL B 80 0.849 -0.249 -23.242 1.00 0.00 N ATOM 934 CA VAL B 80 -0.003 0.239 -24.320 1.00 0.00 C ATOM 935 C VAL B 80 -1.436 0.436 -23.840 1.00 0.00 C ATOM 936 O VAL B 80 -2.132 1.347 -24.289 1.00 0.00 O ATOM 937 CB VAL B 80 -0.002 -0.729 -25.518 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.828 -0.162 -26.663 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.422 -1.017 -25.969 1.00 0.00 C ATOM 0 H VAL B 80 1.267 -1.163 -23.416 1.00 0.00 H new ATOM 0 HA VAL B 80 0.406 1.198 -24.638 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.456 -1.669 -25.204 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.816 -0.859 -27.501 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.855 -0.012 -26.331 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.405 0.792 -26.979 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.404 -1.703 -26.816 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.905 -0.086 -26.266 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.979 -1.469 -25.148 1.00 0.00 H new ATOM 949 N MET B 81 -1.872 -0.423 -22.925 1.00 0.00 N ATOM 950 CA MET B 81 -3.223 -0.342 -22.383 1.00 0.00 C ATOM 951 C MET B 81 -3.411 0.942 -21.581 1.00 0.00 C ATOM 952 O MET B 81 -4.403 1.650 -21.749 1.00 0.00 O ATOM 953 CB MET B 81 -3.515 -1.556 -21.500 1.00 0.00 C ATOM 954 CG MET B 81 -3.820 -2.821 -22.287 1.00 0.00 C ATOM 955 SD MET B 81 -5.480 -2.816 -22.992 1.00 0.00 S ATOM 956 CE MET B 81 -5.225 -3.808 -24.462 1.00 0.00 C ATOM 0 H MET B 81 -1.309 -1.183 -22.543 1.00 0.00 H new ATOM 0 HA MET B 81 -3.923 -0.333 -23.219 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.657 -1.739 -20.852 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.361 -1.328 -20.852 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.089 -2.931 -23.088 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.709 -3.686 -21.634 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.164 -3.898 -25.008 1.00 0.00 H new ATOM 0 HE2 MET B 81 -4.480 -3.331 -25.098 1.00 0.00 H new ATOM 0 HE3 MET B 81 -4.876 -4.800 -24.175 1.00 0.00 H new ATOM 966 N ALA B 82 -2.452 1.235 -20.708 1.00 0.00 N ATOM 967 CA ALA B 82 -2.511 2.434 -19.882 1.00 0.00 C ATOM 968 C ALA B 82 -2.410 3.694 -20.735 1.00 0.00 C ATOM 969 O ALA B 82 -3.164 4.647 -20.543 1.00 0.00 O ATOM 970 CB ALA B 82 -1.404 2.411 -18.838 1.00 0.00 C ATOM 0 H ALA B 82 -1.625 0.658 -20.555 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.475 2.447 -19.373 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.460 3.313 -18.228 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.523 1.534 -18.201 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.435 2.369 -19.336 1.00 0.00 H new ATOM 976 N GLY B 83 -1.472 3.692 -21.677 1.00 0.00 N ATOM 977 CA GLY B 83 -1.290 4.841 -22.545 1.00 0.00 C ATOM 978 C GLY B 83 -2.511 5.124 -23.397 1.00 0.00 C ATOM 979 O GLY B 83 -3.013 6.248 -23.421 1.00 0.00 O ATOM 0 H GLY B 83 -0.835 2.915 -21.855 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.063 5.718 -21.939 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.430 4.670 -23.193 1.00 0.00 H new ATOM 983 N VAL B 84 -2.990 4.103 -24.100 1.00 0.00 N ATOM 984 CA VAL B 84 -4.160 4.247 -24.958 1.00 0.00 C ATOM 985 C VAL B 84 -5.335 4.841 -24.189 1.00 0.00 C ATOM 986 O VAL B 84 -5.871 5.884 -24.564 1.00 0.00 O ATOM 987 CB VAL B 84 -4.585 2.894 -25.559 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.952 3.008 -26.217 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.545 2.404 -26.555 1.00 0.00 C ATOM 0 H VAL B 84 -2.586 3.167 -24.092 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.879 4.923 -25.766 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.656 2.164 -24.753 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.236 2.043 -26.636 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.689 3.312 -25.474 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.912 3.751 -27.013 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.861 1.447 -26.970 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.441 3.132 -27.360 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.587 2.282 -26.050 1.00 0.00 H new ATOM 999 N ILE B 85 -5.731 4.170 -23.113 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.842 4.632 -22.290 1.00 0.00 C ATOM 1001 C ILE B 85 -6.608 6.059 -21.803 1.00 0.00 C ATOM 1002 O ILE B 85 -7.521 6.883 -21.805 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.060 3.715 -21.072 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.407 2.297 -21.530 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.159 4.273 -20.180 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.724 2.206 -22.269 1.00 0.00 C ATOM 0 H ILE B 85 -5.299 3.304 -22.790 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.733 4.606 -22.918 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.136 3.675 -20.495 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.611 1.928 -22.176 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.442 1.641 -20.660 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.302 3.614 -19.323 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.875 5.266 -19.831 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.088 4.339 -20.746 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.905 1.172 -22.564 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.530 2.545 -21.618 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.687 2.835 -23.158 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.378 6.343 -21.388 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.046 7.670 -20.905 1.00 0.00 C ATOM 1020 C GLY B 86 -5.315 8.747 -21.937 1.00 0.00 C ATOM 1021 O GLY B 86 -5.982 9.742 -21.650 1.00 0.00 O ATOM 0 H GLY B 86 -4.605 5.677 -21.378 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.624 7.881 -20.005 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -3.994 7.697 -20.622 1.00 0.00 H new ATOM 1025 N THR B 87 -4.795 8.550 -23.145 1.00 0.00 N ATOM 1026 CA THR B 87 -4.981 9.513 -24.223 1.00 0.00 C ATOM 1027 C THR B 87 -6.461 9.753 -24.497 1.00 0.00 C ATOM 1028 O THR B 87 -6.903 10.897 -24.611 1.00 0.00 O ATOM 1029 CB THR B 87 -4.300 9.041 -25.521 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.065 8.383 -25.216 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.037 10.215 -26.453 1.00 0.00 C ATOM 0 H THR B 87 -4.242 7.732 -23.401 1.00 0.00 H new ATOM 0 HA THR B 87 -4.519 10.445 -23.897 1.00 0.00 H new ATOM 0 HB THR B 87 -4.970 8.342 -26.022 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.630 8.837 -24.464 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.556 9.857 -27.363 1.00 0.00 H new ATOM 0 HG22 THR B 87 -4.981 10.696 -26.708 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.385 10.934 -25.957 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.222 8.669 -24.601 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.653 8.763 -24.860 1.00 0.00 C ATOM 1041 C ILE B 88 -9.332 9.696 -23.864 1.00 0.00 C ATOM 1042 O ILE B 88 -10.068 10.605 -24.250 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.329 7.381 -24.794 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.702 6.433 -25.819 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.826 7.511 -25.032 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.924 4.970 -25.504 1.00 0.00 C ATOM 0 H ILE B 88 -6.871 7.715 -24.510 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.765 9.166 -25.867 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.174 6.965 -23.799 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.115 6.651 -26.804 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.631 6.626 -25.873 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.289 6.526 -24.982 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.261 8.156 -24.268 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.002 7.945 -26.016 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.453 4.357 -26.272 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.486 4.736 -24.534 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.994 4.761 -25.479 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.078 9.467 -22.580 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.663 10.289 -21.526 1.00 0.00 C ATOM 1060 C LEU B 89 -9.322 11.762 -21.731 1.00 0.00 C ATOM 1061 O LEU B 89 -10.207 12.618 -21.756 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.168 9.825 -20.155 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.791 8.536 -19.618 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -8.850 7.859 -18.633 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.133 8.826 -18.963 1.00 0.00 C ATOM 0 H LEU B 89 -8.471 8.719 -22.244 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.746 10.176 -21.571 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.088 9.688 -20.208 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.353 10.622 -19.435 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.957 7.858 -20.455 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.310 6.943 -18.261 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -7.912 7.617 -19.133 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.653 8.531 -17.798 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.562 7.898 -18.586 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -10.991 9.522 -18.136 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.808 9.267 -19.697 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.033 12.049 -21.878 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.574 13.419 -22.084 1.00 0.00 C ATOM 1079 C LEU B 90 -8.233 14.036 -23.313 1.00 0.00 C ATOM 1080 O LEU B 90 -8.817 15.117 -23.239 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.052 13.449 -22.238 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.249 12.832 -21.092 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -3.931 12.272 -21.605 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.004 13.860 -19.997 1.00 0.00 C ATOM 0 H LEU B 90 -7.288 11.353 -21.858 1.00 0.00 H new ATOM 0 HA LEU B 90 -7.857 14.006 -21.210 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.790 12.929 -23.160 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.739 14.486 -22.357 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.829 12.012 -20.668 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.373 11.837 -20.776 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.128 11.503 -22.352 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.346 13.074 -22.055 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.431 13.403 -19.190 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.446 14.702 -20.407 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -5.959 14.213 -19.609 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.137 13.340 -24.441 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.727 13.818 -25.686 1.00 0.00 C ATOM 1098 C ILE B 91 -10.218 14.088 -25.519 1.00 0.00 C ATOM 1099 O ILE B 91 -10.715 15.148 -25.900 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.524 12.808 -26.830 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.205 13.082 -27.554 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.692 12.868 -27.803 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -5.998 13.052 -26.643 1.00 0.00 C ATOM 0 H ILE B 91 -7.657 12.444 -24.519 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.218 14.748 -25.940 1.00 0.00 H new ATOM 0 HB ILE B 91 -8.481 11.805 -26.406 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -7.073 12.342 -28.343 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.261 14.057 -28.037 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.534 12.148 -28.606 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.616 12.628 -27.277 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.764 13.871 -28.224 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.098 13.254 -27.224 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -6.108 13.811 -25.868 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -5.917 12.069 -26.179 1.00 0.00 H new ATOM 1115 N SER B 92 -10.928 13.122 -24.944 1.00 0.00 N ATOM 1116 CA SER B 92 -12.364 13.254 -24.728 1.00 0.00 C ATOM 1117 C SER B 92 -12.680 14.517 -23.934 1.00 0.00 C ATOM 1118 O SER B 92 -13.735 15.127 -24.110 1.00 0.00 O ATOM 1119 CB SER B 92 -12.905 12.026 -23.992 1.00 0.00 C ATOM 1120 OG SER B 92 -12.662 12.119 -22.599 1.00 0.00 O ATOM 0 H SER B 92 -10.532 12.240 -24.620 1.00 0.00 H new ATOM 0 HA SER B 92 -12.848 13.328 -25.702 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.976 11.933 -24.172 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.435 11.125 -24.387 1.00 0.00 H new ATOM 0 HG SER B 92 -11.715 12.321 -22.445 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.759 14.904 -23.058 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.939 16.093 -22.234 1.00 0.00 C ATOM 1128 C TYR B 93 -11.799 17.362 -23.071 1.00 0.00 C ATOM 1129 O TYR B 93 -12.499 18.348 -22.845 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.921 16.107 -21.093 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.478 15.606 -19.779 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.631 16.158 -19.235 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.851 14.581 -19.082 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -13.143 15.703 -18.035 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.356 14.119 -17.882 1.00 0.00 C ATOM 1136 CZ TYR B 93 -12.503 14.684 -17.363 1.00 0.00 C ATOM 1137 OH TYR B 93 -13.009 14.227 -16.167 1.00 0.00 O ATOM 0 H TYR B 93 -10.880 14.411 -22.900 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.945 16.065 -21.815 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.065 15.493 -21.373 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.553 17.124 -20.958 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -13.136 16.956 -19.759 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -9.953 14.137 -19.485 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -14.040 16.144 -17.626 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -10.856 13.321 -17.353 1.00 0.00 H new ATOM 0 HH TYR B 93 -12.440 13.506 -15.825 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.889 17.327 -24.039 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.673 18.479 -24.896 1.00 0.00 C ATOM 1149 C GLY B 94 -11.880 18.796 -25.756 1.00 0.00 C ATOM 1150 O GLY B 94 -12.191 19.963 -25.994 1.00 0.00 O ATOM 0 H GLY B 94 -10.297 16.522 -24.246 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.432 19.346 -24.281 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.812 18.294 -25.538 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.560 17.755 -26.225 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.739 17.929 -27.065 1.00 0.00 C ATOM 1156 C ILE B 95 -14.872 18.595 -26.290 1.00 0.00 C ATOM 1157 O ILE B 95 -15.676 19.333 -26.860 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.236 16.582 -27.623 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.139 15.913 -28.453 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.490 16.787 -28.459 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -13.392 14.446 -28.720 1.00 0.00 C ATOM 0 H ILE B 95 -12.315 16.783 -26.038 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.444 18.570 -27.896 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.483 15.927 -26.787 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.045 16.436 -29.405 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -12.186 16.020 -27.935 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -15.830 15.827 -28.847 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.272 17.226 -27.840 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.268 17.456 -29.290 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.574 14.038 -29.313 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.456 13.910 -27.773 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -14.328 14.332 -29.266 1.00 0.00 H new ATOM 1173 N ARG B 96 -14.928 18.330 -24.989 1.00 0.00 N ATOM 1174 CA ARG B 96 -15.961 18.904 -24.136 1.00 0.00 C ATOM 1175 C ARG B 96 -15.677 20.376 -23.854 1.00 0.00 C ATOM 1176 O ARG B 96 -16.582 21.210 -23.885 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.054 18.130 -22.820 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.470 18.019 -22.278 1.00 0.00 C ATOM 1179 CD ARG B 96 -17.915 19.314 -21.616 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.913 19.082 -20.575 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.739 20.021 -20.127 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -19.687 21.248 -20.626 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -20.620 19.733 -19.177 1.00 0.00 N ATOM 0 H ARG B 96 -14.270 17.721 -24.503 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.913 18.830 -24.661 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.651 17.128 -22.968 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.426 18.619 -22.075 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -18.153 17.770 -23.090 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.522 17.203 -21.557 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -17.050 19.816 -21.183 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -18.327 19.984 -22.371 1.00 0.00 H new ATOM 0 HE ARG B 96 -18.979 18.148 -20.170 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -19.011 21.473 -21.356 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -20.323 21.967 -20.280 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -20.663 18.790 -18.790 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -21.254 20.455 -18.834 1.00 0.00 H new