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 -50:sc= -0.384 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 12.160 -0.888 -18.059 1.00 0.00 N ATOM 197 CA ILE A 73 11.640 0.471 -18.156 1.00 0.00 C ATOM 198 C ILE A 73 11.381 0.858 -19.608 1.00 0.00 C ATOM 199 O ILE A 73 10.286 1.300 -19.959 1.00 0.00 O ATOM 200 CB ILE A 73 12.609 1.491 -17.529 1.00 0.00 C ATOM 201 CG1 ILE A 73 12.876 1.140 -16.064 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.045 2.899 -17.648 1.00 0.00 C ATOM 203 CD1 ILE A 73 13.864 2.067 -15.391 1.00 0.00 C ATOM 0 HA ILE A 73 10.700 0.489 -17.604 1.00 0.00 H new ATOM 0 HB ILE A 73 13.554 1.452 -18.070 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.935 1.165 -15.515 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.251 0.118 -16.006 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.741 3.609 -17.201 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.901 3.146 -18.700 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.088 2.953 -17.129 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.005 1.759 -14.355 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.819 2.024 -15.915 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.481 3.087 -15.417 1.00 0.00 H new ATOM 215 N THR A 74 12.395 0.687 -20.450 1.00 0.00 N ATOM 216 CA THR A 74 12.277 1.017 -21.865 1.00 0.00 C ATOM 217 C THR A 74 11.023 0.399 -22.472 1.00 0.00 C ATOM 218 O THR A 74 10.261 1.072 -23.168 1.00 0.00 O ATOM 219 CB THR A 74 13.508 0.538 -22.658 1.00 0.00 C ATOM 220 OG1 THR A 74 14.697 1.126 -22.120 1.00 0.00 O ATOM 221 CG2 THR A 74 13.378 0.900 -24.129 1.00 0.00 C ATOM 0 H THR A 74 13.307 0.322 -20.177 1.00 0.00 H new ATOM 0 HA THR A 74 12.211 2.103 -21.931 1.00 0.00 H new ATOM 0 HB THR A 74 13.569 -0.547 -22.571 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.475 0.815 -22.629 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.259 0.552 -24.669 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.488 0.426 -24.543 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.294 1.982 -24.231 1.00 0.00 H new ATOM 229 N LEU A 75 10.813 -0.885 -22.204 1.00 0.00 N ATOM 230 CA LEU A 75 9.649 -1.595 -22.723 1.00 0.00 C ATOM 231 C LEU A 75 8.357 -0.896 -22.312 1.00 0.00 C ATOM 232 O LEU A 75 7.479 -0.657 -23.141 1.00 0.00 O ATOM 233 CB LEU A 75 9.643 -3.040 -22.222 1.00 0.00 C ATOM 234 CG LEU A 75 10.848 -3.893 -22.618 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.860 -5.197 -21.835 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.837 -4.169 -24.115 1.00 0.00 C ATOM 0 H LEU A 75 11.434 -1.456 -21.630 1.00 0.00 H new ATOM 0 HA LEU A 75 9.710 -1.595 -23.811 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.575 -3.026 -21.134 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.741 -3.528 -22.591 1.00 0.00 H new ATOM 0 HG LEU A 75 11.755 -3.339 -22.377 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.725 -5.791 -22.130 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.916 -4.980 -20.768 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.948 -5.756 -22.044 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.702 -4.777 -24.379 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.924 -4.702 -24.380 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.877 -3.225 -24.659 1.00 0.00 H new ATOM 248 N ILE A 76 8.250 -0.570 -21.029 1.00 0.00 N ATOM 249 CA ILE A 76 7.067 0.105 -20.509 1.00 0.00 C ATOM 250 C ILE A 76 6.794 1.399 -21.268 1.00 0.00 C ATOM 251 O ILE A 76 5.658 1.676 -21.655 1.00 0.00 O ATOM 252 CB ILE A 76 7.213 0.424 -19.009 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.552 -0.847 -18.227 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.938 1.057 -18.475 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.489 -1.918 -18.324 1.00 0.00 C ATOM 0 H ILE A 76 8.968 -0.762 -20.330 1.00 0.00 H new ATOM 0 HA ILE A 76 6.229 -0.578 -20.646 1.00 0.00 H new ATOM 0 HB ILE A 76 8.029 1.136 -18.881 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.496 -1.249 -18.595 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.702 -0.590 -17.179 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.057 1.276 -17.414 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.736 1.981 -19.016 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.105 0.368 -18.611 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.797 -2.789 -17.746 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.548 -1.534 -17.929 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.355 -2.204 -19.367 1.00 0.00 H new ATOM 267 N ILE A 77 7.843 2.187 -21.479 1.00 0.00 N ATOM 268 CA ILE A 77 7.717 3.451 -22.194 1.00 0.00 C ATOM 269 C ILE A 77 7.315 3.222 -23.648 1.00 0.00 C ATOM 270 O ILE A 77 6.366 3.829 -24.144 1.00 0.00 O ATOM 271 CB ILE A 77 9.031 4.253 -22.157 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.373 4.645 -20.718 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.923 5.489 -23.037 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.444 5.690 -20.139 1.00 0.00 C ATOM 0 H ILE A 77 8.789 1.972 -21.165 1.00 0.00 H new ATOM 0 HA ILE A 77 6.938 4.023 -21.689 1.00 0.00 H new ATOM 0 HB ILE A 77 9.834 3.625 -22.544 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.341 3.755 -20.090 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.395 5.022 -20.686 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.860 6.045 -23.000 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.720 5.187 -24.065 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.111 6.122 -22.678 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.746 5.919 -19.117 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.493 6.596 -20.744 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.423 5.309 -20.139 1.00 0.00 H new ATOM 286 N PHE A 78 8.044 2.341 -24.325 1.00 0.00 N ATOM 287 CA PHE A 78 7.764 2.030 -25.722 1.00 0.00 C ATOM 288 C PHE A 78 6.310 1.604 -25.904 1.00 0.00 C ATOM 289 O PHE A 78 5.612 2.101 -26.786 1.00 0.00 O ATOM 290 CB PHE A 78 8.697 0.924 -26.218 1.00 0.00 C ATOM 291 CG PHE A 78 8.317 0.377 -27.564 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.808 0.954 -28.724 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.470 -0.714 -27.670 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.459 0.454 -29.965 1.00 0.00 C ATOM 295 CE2 PHE A 78 7.118 -1.219 -28.907 1.00 0.00 C ATOM 296 CZ PHE A 78 7.614 -0.635 -30.056 1.00 0.00 C ATOM 0 H PHE A 78 8.833 1.830 -23.929 1.00 0.00 H new ATOM 0 HA PHE A 78 7.936 2.932 -26.310 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.714 1.313 -26.267 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.701 0.111 -25.492 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.471 1.804 -28.658 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.080 -1.175 -26.775 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.846 0.914 -30.862 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.456 -2.069 -28.975 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.342 -1.029 -31.024 1.00 0.00 H new ATOM 306 N GLY A 79 5.861 0.679 -25.061 1.00 0.00 N ATOM 307 CA GLY A 79 4.494 0.200 -25.145 1.00 0.00 C ATOM 308 C GLY A 79 3.480 1.323 -25.055 1.00 0.00 C ATOM 309 O GLY A 79 2.642 1.485 -25.942 1.00 0.00 O ATOM 0 H GLY A 79 6.420 0.253 -24.322 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.357 -0.335 -26.085 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.313 -0.515 -24.342 1.00 0.00 H new ATOM 313 N VAL A 80 3.554 2.100 -23.980 1.00 0.00 N ATOM 314 CA VAL A 80 2.634 3.213 -23.776 1.00 0.00 C ATOM 315 C VAL A 80 2.747 4.232 -24.905 1.00 0.00 C ATOM 316 O VAL A 80 1.761 4.858 -25.290 1.00 0.00 O ATOM 317 CB VAL A 80 2.897 3.920 -22.433 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.882 5.030 -22.206 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.868 2.918 -21.290 1.00 0.00 C ATOM 0 H VAL A 80 4.242 1.980 -23.236 1.00 0.00 H new ATOM 0 HA VAL A 80 1.628 2.795 -23.766 1.00 0.00 H new ATOM 0 HB VAL A 80 3.889 4.370 -22.467 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.084 5.518 -21.252 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.956 5.761 -23.011 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.877 4.607 -22.192 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.056 3.434 -20.349 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.890 2.438 -21.252 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.637 2.162 -21.449 1.00 0.00 H new ATOM 329 N MET A 81 3.957 4.392 -25.431 1.00 0.00 N ATOM 330 CA MET A 81 4.199 5.334 -26.518 1.00 0.00 C ATOM 331 C MET A 81 3.459 4.908 -27.782 1.00 0.00 C ATOM 332 O MET A 81 2.830 5.727 -28.451 1.00 0.00 O ATOM 333 CB MET A 81 5.698 5.444 -26.802 1.00 0.00 C ATOM 334 CG MET A 81 6.448 6.294 -25.790 1.00 0.00 C ATOM 335 SD MET A 81 6.450 8.045 -26.219 1.00 0.00 S ATOM 336 CE MET A 81 6.159 8.787 -24.615 1.00 0.00 C ATOM 0 H MET A 81 4.785 3.882 -25.122 1.00 0.00 H new ATOM 0 HA MET A 81 3.823 6.310 -26.210 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.131 4.444 -26.816 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.841 5.867 -27.796 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.995 6.165 -24.807 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.477 5.941 -25.716 1.00 0.00 H new ATOM 0 HE1 MET A 81 6.133 9.872 -24.715 1.00 0.00 H new ATOM 0 HE2 MET A 81 5.206 8.436 -24.219 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.961 8.505 -23.933 1.00 0.00 H new ATOM 346 N ALA A 82 3.540 3.621 -28.103 1.00 0.00 N ATOM 347 CA ALA A 82 2.877 3.086 -29.286 1.00 0.00 C ATOM 348 C ALA A 82 1.360 3.158 -29.145 1.00 0.00 C ATOM 349 O ALA A 82 0.661 3.583 -30.064 1.00 0.00 O ATOM 350 CB ALA A 82 3.318 1.651 -29.534 1.00 0.00 C ATOM 0 H ALA A 82 4.058 2.930 -27.561 1.00 0.00 H new ATOM 0 HA ALA A 82 3.166 3.697 -30.141 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.815 1.264 -30.420 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.397 1.623 -29.688 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.058 1.036 -28.672 1.00 0.00 H new ATOM 356 N GLY A 83 0.857 2.739 -27.988 1.00 0.00 N ATOM 357 CA GLY A 83 -0.574 2.765 -27.749 1.00 0.00 C ATOM 358 C GLY A 83 -1.142 4.170 -27.776 1.00 0.00 C ATOM 359 O GLY A 83 -2.106 4.444 -28.492 1.00 0.00 O ATOM 0 H GLY A 83 1.415 2.382 -27.212 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.076 2.159 -28.503 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.786 2.310 -26.782 1.00 0.00 H new ATOM 363 N VAL A 84 -0.545 5.063 -26.994 1.00 0.00 N ATOM 364 CA VAL A 84 -0.997 6.448 -26.931 1.00 0.00 C ATOM 365 C VAL A 84 -1.051 7.072 -28.321 1.00 0.00 C ATOM 366 O VAL A 84 -2.099 7.551 -28.757 1.00 0.00 O ATOM 367 CB VAL A 84 -0.078 7.299 -26.034 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.417 8.775 -26.169 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.183 6.849 -24.585 1.00 0.00 C ATOM 0 H VAL A 84 0.253 4.852 -26.395 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.999 6.434 -26.502 1.00 0.00 H new ATOM 0 HB VAL A 84 0.952 7.157 -26.361 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.243 9.360 -25.528 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.285 9.085 -27.205 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.452 8.939 -25.870 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.473 7.461 -23.966 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.212 6.960 -24.243 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.115 5.804 -24.506 1.00 0.00 H new ATOM 816 N ILE B 73 6.437 -9.755 -22.413 1.00 0.00 N ATOM 817 CA ILE B 73 5.189 -9.566 -23.143 1.00 0.00 C ATOM 818 C ILE B 73 4.163 -8.823 -22.295 1.00 0.00 C ATOM 819 O ILE B 73 3.595 -7.818 -22.724 1.00 0.00 O ATOM 820 CB ILE B 73 4.590 -10.912 -23.592 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.588 -11.671 -24.470 1.00 0.00 C ATOM 822 CG2 ILE B 73 3.284 -10.688 -24.339 1.00 0.00 C ATOM 823 CD1 ILE B 73 6.023 -10.901 -25.696 1.00 0.00 C ATOM 0 HA ILE B 73 5.426 -8.971 -24.025 1.00 0.00 H new ATOM 0 HB ILE B 73 4.381 -11.513 -22.707 1.00 0.00 H new ATOM 0 HG12 ILE B 73 6.467 -11.918 -23.875 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.140 -12.614 -24.783 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.873 -11.649 -24.650 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.573 -10.184 -23.685 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.469 -10.071 -25.218 1.00 0.00 H new ATOM 0 HD11 ILE B 73 6.730 -11.500 -26.270 1.00 0.00 H new ATOM 0 HD12 ILE B 73 5.153 -10.677 -26.312 1.00 0.00 H new ATOM 0 HD13 ILE B 73 6.501 -9.970 -25.390 1.00 0.00 H new ATOM 835 N THR B 74 3.929 -9.324 -21.085 1.00 0.00 N ATOM 836 CA THR B 74 2.972 -8.709 -20.175 1.00 0.00 C ATOM 837 C THR B 74 3.219 -7.210 -20.048 1.00 0.00 C ATOM 838 O THR B 74 2.291 -6.406 -20.151 1.00 0.00 O ATOM 839 CB THR B 74 3.036 -9.349 -18.775 1.00 0.00 C ATOM 840 OG1 THR B 74 2.791 -10.756 -18.868 1.00 0.00 O ATOM 841 CG2 THR B 74 2.017 -8.712 -17.842 1.00 0.00 C ATOM 0 H THR B 74 4.390 -10.155 -20.714 1.00 0.00 H new ATOM 0 HA THR B 74 1.981 -8.877 -20.598 1.00 0.00 H new ATOM 0 HB THR B 74 4.033 -9.181 -18.368 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.835 -11.156 -17.974 1.00 0.00 H new ATOM 0 HG21 THR B 74 2.081 -9.180 -16.860 1.00 0.00 H new ATOM 0 HG22 THR B 74 2.224 -7.646 -17.750 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.015 -8.853 -18.247 1.00 0.00 H new ATOM 849 N LEU B 75 4.475 -6.839 -19.825 1.00 0.00 N ATOM 850 CA LEU B 75 4.845 -5.435 -19.685 1.00 0.00 C ATOM 851 C LEU B 75 4.414 -4.634 -20.909 1.00 0.00 C ATOM 852 O LEU B 75 3.803 -3.572 -20.783 1.00 0.00 O ATOM 853 CB LEU B 75 6.355 -5.303 -19.481 1.00 0.00 C ATOM 854 CG LEU B 75 6.929 -5.998 -18.246 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.448 -6.030 -18.309 1.00 0.00 C ATOM 856 CD2 LEU B 75 6.461 -5.302 -16.976 1.00 0.00 C ATOM 0 H LEU B 75 5.254 -7.491 -19.737 1.00 0.00 H new ATOM 0 HA LEU B 75 4.330 -5.034 -18.812 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.857 -5.701 -20.363 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.602 -4.243 -19.425 1.00 0.00 H new ATOM 0 HG LEU B 75 6.565 -7.025 -18.229 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.839 -6.528 -17.422 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.764 -6.574 -19.199 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.832 -5.011 -18.351 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.879 -5.810 -16.107 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.795 -4.265 -16.985 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.373 -5.332 -16.925 1.00 0.00 H new ATOM 868 N ILE B 76 4.733 -5.150 -22.090 1.00 0.00 N ATOM 869 CA ILE B 76 4.376 -4.484 -23.337 1.00 0.00 C ATOM 870 C ILE B 76 2.874 -4.229 -23.413 1.00 0.00 C ATOM 871 O ILE B 76 2.437 -3.134 -23.767 1.00 0.00 O ATOM 872 CB ILE B 76 4.807 -5.312 -24.562 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.299 -5.643 -24.481 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.495 -4.559 -25.846 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.189 -4.420 -24.457 1.00 0.00 C ATOM 0 H ILE B 76 5.238 -6.028 -22.210 1.00 0.00 H new ATOM 0 HA ILE B 76 4.906 -3.531 -23.349 1.00 0.00 H new ATOM 0 HB ILE B 76 4.246 -6.247 -24.567 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.484 -6.234 -23.584 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.572 -6.264 -25.334 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.805 -5.157 -26.703 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.423 -4.369 -25.905 1.00 0.00 H new ATOM 0 HG23 ILE B 76 5.032 -3.611 -25.851 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.232 -4.730 -24.399 1.00 0.00 H new ATOM 0 HD12 ILE B 76 7.033 -3.839 -25.366 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.944 -3.808 -23.589 1.00 0.00 H new ATOM 887 N ILE B 77 2.089 -5.247 -23.076 1.00 0.00 N ATOM 888 CA ILE B 77 0.637 -5.133 -23.103 1.00 0.00 C ATOM 889 C ILE B 77 0.145 -4.123 -22.071 1.00 0.00 C ATOM 890 O ILE B 77 -0.633 -3.223 -22.388 1.00 0.00 O ATOM 891 CB ILE B 77 -0.040 -6.491 -22.840 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.408 -7.519 -23.880 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.554 -6.340 -22.854 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.343 -8.830 -23.797 1.00 0.00 C ATOM 0 H ILE B 77 2.435 -6.160 -22.781 1.00 0.00 H new ATOM 0 HA ILE B 77 0.366 -4.789 -24.101 1.00 0.00 H new ATOM 0 HB ILE B 77 0.261 -6.845 -21.854 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.277 -7.097 -24.876 1.00 0.00 H new ATOM 0 HG13 ILE B 77 1.473 -7.711 -23.753 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.018 -7.308 -22.667 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -1.857 -5.636 -22.078 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -1.873 -5.967 -23.827 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.027 -9.510 -24.564 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.191 -9.275 -22.813 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -1.407 -8.651 -23.954 1.00 0.00 H new ATOM 906 N PHE B 78 0.606 -4.278 -20.834 1.00 0.00 N ATOM 907 CA PHE B 78 0.214 -3.380 -19.754 1.00 0.00 C ATOM 908 C PHE B 78 0.492 -1.927 -20.128 1.00 0.00 C ATOM 909 O PHE B 78 -0.369 -1.061 -19.981 1.00 0.00 O ATOM 910 CB PHE B 78 0.960 -3.739 -18.468 1.00 0.00 C ATOM 911 CG PHE B 78 0.796 -2.721 -17.376 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.263 -2.803 -16.487 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.703 -1.682 -17.238 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.416 -1.867 -15.482 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.555 -0.743 -16.235 1.00 0.00 C ATOM 916 CZ PHE B 78 0.495 -0.836 -15.355 1.00 0.00 C ATOM 0 H PHE B 78 1.251 -5.017 -20.555 1.00 0.00 H new ATOM 0 HA PHE B 78 -0.857 -3.496 -19.589 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.605 -4.705 -18.109 1.00 0.00 H new ATOM 0 HB3 PHE B 78 2.021 -3.852 -18.692 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -0.977 -3.608 -16.580 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.535 -1.605 -17.922 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.247 -1.941 -14.796 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.268 0.063 -16.140 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.378 -0.104 -14.569 1.00 0.00 H new ATOM 926 N GLY B 79 1.703 -1.668 -20.612 1.00 0.00 N ATOM 927 CA GLY B 79 2.074 -0.319 -20.999 1.00 0.00 C ATOM 928 C GLY B 79 1.120 0.276 -22.016 1.00 0.00 C ATOM 929 O GLY B 79 0.549 1.343 -21.792 1.00 0.00 O ATOM 0 H GLY B 79 2.433 -2.368 -20.743 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.098 0.316 -20.113 1.00 0.00 H new ATOM 0 HA3 GLY B 79 3.082 -0.327 -21.413 1.00 0.00 H new ATOM 933 N VAL B 80 0.947 -0.415 -23.138 1.00 0.00 N ATOM 934 CA VAL B 80 0.056 0.051 -24.194 1.00 0.00 C ATOM 935 C VAL B 80 -1.375 0.185 -23.685 1.00 0.00 C ATOM 936 O VAL B 80 -2.117 1.067 -24.116 1.00 0.00 O ATOM 937 CB VAL B 80 0.073 -0.901 -25.404 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.807 -0.362 -26.521 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.497 -1.116 -25.893 1.00 0.00 C ATOM 0 H VAL B 80 1.412 -1.300 -23.339 1.00 0.00 H new ATOM 0 HA VAL B 80 0.420 1.029 -24.507 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.329 -1.865 -25.091 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.782 -1.048 -27.367 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.832 -0.265 -26.162 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.439 0.615 -26.835 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.490 -1.791 -26.748 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.928 -0.160 -26.189 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.095 -1.551 -25.092 1.00 0.00 H new ATOM 949 N MET B 81 -1.756 -0.697 -22.767 1.00 0.00 N ATOM 950 CA MET B 81 -3.098 -0.676 -22.198 1.00 0.00 C ATOM 951 C MET B 81 -3.327 0.598 -21.391 1.00 0.00 C ATOM 952 O MET B 81 -4.368 1.243 -21.514 1.00 0.00 O ATOM 953 CB MET B 81 -3.319 -1.902 -21.311 1.00 0.00 C ATOM 954 CG MET B 81 -3.581 -3.179 -22.092 1.00 0.00 C ATOM 955 SD MET B 81 -5.313 -3.362 -22.562 1.00 0.00 S ATOM 956 CE MET B 81 -5.365 -5.101 -22.990 1.00 0.00 C ATOM 0 H MET B 81 -1.154 -1.435 -22.401 1.00 0.00 H new ATOM 0 HA MET B 81 -3.814 -0.698 -23.020 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.442 -2.046 -20.679 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.163 -1.712 -20.647 1.00 0.00 H new ATOM 0 HG2 MET B 81 -2.962 -3.185 -22.989 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.279 -4.037 -21.491 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.374 -5.369 -23.302 1.00 0.00 H new ATOM 0 HE2 MET B 81 -4.669 -5.296 -23.806 1.00 0.00 H new ATOM 0 HE3 MET B 81 -5.083 -5.698 -22.122 1.00 0.00 H new ATOM 966 N ALA B 82 -2.348 0.955 -20.567 1.00 0.00 N ATOM 967 CA ALA B 82 -2.442 2.153 -19.742 1.00 0.00 C ATOM 968 C ALA B 82 -2.446 3.413 -20.601 1.00 0.00 C ATOM 969 O ALA B 82 -3.255 4.316 -20.392 1.00 0.00 O ATOM 970 CB ALA B 82 -1.296 2.197 -18.742 1.00 0.00 C ATOM 0 H ALA B 82 -1.480 0.431 -20.453 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.385 2.115 -19.196 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.379 3.097 -18.133 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.340 1.318 -18.099 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.346 2.207 -19.277 1.00 0.00 H new ATOM 976 N GLY B 83 -1.535 3.467 -21.568 1.00 0.00 N ATOM 977 CA GLY B 83 -1.451 4.621 -22.444 1.00 0.00 C ATOM 978 C GLY B 83 -2.705 4.813 -23.273 1.00 0.00 C ATOM 979 O GLY B 83 -3.291 5.895 -23.285 1.00 0.00 O ATOM 0 H GLY B 83 -0.854 2.732 -21.760 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.274 5.515 -21.846 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.594 4.507 -23.108 1.00 0.00 H new ATOM 983 N VAL B 84 -3.118 3.759 -23.971 1.00 0.00 N ATOM 984 CA VAL B 84 -4.311 3.817 -24.807 1.00 0.00 C ATOM 985 C VAL B 84 -5.515 4.312 -24.015 1.00 0.00 C ATOM 986 O VAL B 84 -6.131 5.319 -24.367 1.00 0.00 O ATOM 987 CB VAL B 84 -4.640 2.438 -25.411 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.010 2.458 -26.072 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.565 2.023 -26.405 1.00 0.00 C ATOM 0 H VAL B 84 -2.644 2.856 -23.974 1.00 0.00 H new ATOM 0 HA VAL B 84 -4.098 4.518 -25.614 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.662 1.703 -24.606 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.225 1.476 -26.493 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.768 2.709 -25.330 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -6.019 3.203 -26.867 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.813 1.047 -26.822 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.509 2.758 -27.208 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.602 1.967 -25.897 1.00 0.00 H new ATOM 999 N ILE B 85 -5.845 3.600 -22.943 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.974 3.969 -22.099 1.00 0.00 C ATOM 1001 C ILE B 85 -6.842 5.404 -21.600 1.00 0.00 C ATOM 1002 O ILE B 85 -7.821 6.148 -21.552 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.104 3.026 -20.888 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.368 1.593 -21.355 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.215 3.501 -19.963 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.702 1.420 -22.047 1.00 0.00 C ATOM 0 H ILE B 85 -5.346 2.764 -22.638 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.869 3.882 -22.715 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.166 3.040 -20.334 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.573 1.289 -22.035 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.325 0.925 -20.495 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.294 2.824 -19.112 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.988 4.506 -19.607 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.160 3.514 -20.506 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.822 0.380 -22.351 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.505 1.693 -21.362 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.741 2.062 -22.927 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.624 5.787 -21.230 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.385 7.132 -20.742 1.00 0.00 C ATOM 1020 C GLY B 86 -5.765 8.193 -21.755 1.00 0.00 C ATOM 1021 O GLY B 86 -6.513 9.121 -21.444 1.00 0.00 O ATOM 0 H GLY B 86 -4.798 5.189 -21.260 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.954 7.289 -19.826 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.331 7.240 -20.485 1.00 0.00 H new ATOM 1025 N THR B 87 -5.248 8.059 -22.972 1.00 0.00 N ATOM 1026 CA THR B 87 -5.535 9.015 -24.034 1.00 0.00 C ATOM 1027 C THR B 87 -7.035 9.127 -24.283 1.00 0.00 C ATOM 1028 O THR B 87 -7.570 10.227 -24.419 1.00 0.00 O ATOM 1029 CB THR B 87 -4.836 8.621 -25.349 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.520 8.127 -25.076 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.751 9.810 -26.294 1.00 0.00 C ATOM 0 H THR B 87 -4.628 7.297 -23.247 1.00 0.00 H new ATOM 0 HA THR B 87 -5.152 9.980 -23.702 1.00 0.00 H new ATOM 0 HB THR B 87 -5.425 7.838 -25.827 1.00 0.00 H new ATOM 0 HG1 THR B 87 -3.048 8.758 -24.493 1.00 0.00 H new ATOM 0 HG21 THR B 87 -4.254 9.508 -27.216 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.756 10.165 -26.524 1.00 0.00 H new ATOM 0 HG23 THR B 87 -4.183 10.611 -25.821 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.707 7.982 -24.340 1.00 0.00 N ATOM 1040 CA ILE B 88 -9.146 7.953 -24.570 1.00 0.00 C ATOM 1041 C ILE B 88 -9.883 8.825 -23.559 1.00 0.00 C ATOM 1042 O ILE B 88 -10.694 9.674 -23.930 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.700 6.518 -24.493 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -9.034 5.633 -25.549 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -11.210 6.522 -24.674 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -9.151 4.153 -25.260 1.00 0.00 C ATOM 0 H ILE B 88 -7.278 7.063 -24.230 1.00 0.00 H new ATOM 0 HA ILE B 88 -9.312 8.345 -25.573 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.473 6.110 -23.508 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.482 5.841 -26.521 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.979 5.898 -25.621 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.586 5.500 -24.617 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.669 7.122 -23.888 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.459 6.946 -25.647 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.656 3.588 -26.050 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.678 3.930 -24.304 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -10.203 3.873 -25.218 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.593 8.611 -22.280 1.00 0.00 N ATOM 1059 CA LEU B 89 -10.227 9.379 -21.214 1.00 0.00 C ATOM 1060 C LEU B 89 -10.002 10.874 -21.413 1.00 0.00 C ATOM 1061 O LEU B 89 -10.951 11.660 -21.420 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.679 8.946 -19.853 1.00 0.00 C ATOM 1063 CG LEU B 89 -10.194 7.609 -19.317 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.175 6.982 -18.379 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.528 7.797 -18.609 1.00 0.00 C ATOM 0 H LEU B 89 -8.924 7.913 -21.956 1.00 0.00 H new ATOM 0 HA LEU B 89 -11.299 9.184 -21.246 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.592 8.893 -19.921 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.915 9.722 -19.125 1.00 0.00 H new ATOM 0 HG LEU B 89 -10.344 6.935 -20.160 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.559 6.032 -18.008 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.242 6.812 -18.917 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.992 7.653 -17.539 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.880 6.836 -18.234 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.403 8.488 -17.775 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -12.258 8.202 -19.310 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.742 11.261 -21.576 1.00 0.00 N ATOM 1078 CA LEU B 90 -8.392 12.663 -21.777 1.00 0.00 C ATOM 1079 C LEU B 90 -9.113 13.235 -22.993 1.00 0.00 C ATOM 1080 O LEU B 90 -9.762 14.278 -22.908 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.879 12.812 -21.951 1.00 0.00 C ATOM 1082 CG LEU B 90 -6.030 12.530 -20.711 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.658 12.011 -21.110 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.901 13.783 -19.857 1.00 0.00 C ATOM 0 H LEU B 90 -7.945 10.624 -21.573 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.707 13.220 -20.895 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -6.557 12.141 -22.747 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -6.670 13.828 -22.286 1.00 0.00 H new ATOM 0 HG LEU B 90 -6.528 11.761 -20.120 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -4.068 11.816 -20.214 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.769 11.088 -21.679 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -4.151 12.756 -21.723 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -5.294 13.564 -18.979 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -5.426 14.573 -20.439 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.891 14.111 -19.541 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.997 12.545 -24.122 1.00 0.00 N ATOM 1097 CA ILE B 91 -9.642 12.982 -25.355 1.00 0.00 C ATOM 1098 C ILE B 91 -11.139 13.184 -25.150 1.00 0.00 C ATOM 1099 O ILE B 91 -11.698 14.207 -25.546 1.00 0.00 O ATOM 1100 CB ILE B 91 -9.422 11.970 -26.495 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -8.216 12.378 -27.343 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -10.671 11.865 -27.357 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.947 12.562 -26.540 1.00 0.00 C ATOM 0 H ILE B 91 -8.462 11.681 -24.209 1.00 0.00 H new ATOM 0 HA ILE B 91 -9.184 13.932 -25.631 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.221 10.991 -26.059 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -8.046 11.619 -28.107 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -8.446 13.308 -27.863 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -10.501 11.146 -28.158 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -11.509 11.533 -26.744 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -10.899 12.840 -27.787 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -6.134 12.851 -27.206 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.099 13.341 -25.793 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -6.693 11.627 -26.041 1.00 0.00 H new ATOM 1115 N SER B 92 -11.784 12.202 -24.528 1.00 0.00 N ATOM 1116 CA SER B 92 -13.218 12.271 -24.272 1.00 0.00 C ATOM 1117 C SER B 92 -13.572 13.541 -23.505 1.00 0.00 C ATOM 1118 O SER B 92 -14.681 14.063 -23.626 1.00 0.00 O ATOM 1119 CB SER B 92 -13.676 11.041 -23.486 1.00 0.00 C ATOM 1120 OG SER B 92 -14.842 11.324 -22.731 1.00 0.00 O ATOM 0 H SER B 92 -11.336 11.349 -24.192 1.00 0.00 H new ATOM 0 HA SER B 92 -13.734 12.292 -25.232 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.875 10.219 -24.174 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.878 10.713 -22.820 1.00 0.00 H new ATOM 0 HG SER B 92 -15.116 10.522 -22.239 1.00 0.00 H new ATOM 1126 N TYR B 93 -12.623 14.032 -22.716 1.00 0.00 N ATOM 1127 CA TYR B 93 -12.835 15.239 -21.927 1.00 0.00 C ATOM 1128 C TYR B 93 -12.841 16.478 -22.817 1.00 0.00 C ATOM 1129 O TYR B 93 -13.602 17.418 -22.588 1.00 0.00 O ATOM 1130 CB TYR B 93 -11.750 15.371 -20.857 1.00 0.00 C ATOM 1131 CG TYR B 93 -12.078 16.384 -19.783 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -11.774 17.729 -19.953 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -12.690 15.995 -18.598 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.072 18.657 -18.974 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -12.993 16.917 -17.614 1.00 0.00 C ATOM 1136 CZ TYR B 93 -12.681 18.246 -17.807 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.979 19.167 -16.829 1.00 0.00 O ATOM 0 H TYR B 93 -11.700 13.613 -22.606 1.00 0.00 H new ATOM 0 HA TYR B 93 -13.807 15.159 -21.441 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -11.591 14.399 -20.391 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.812 15.652 -21.336 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -11.297 18.054 -20.866 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -12.933 14.954 -18.443 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -11.829 19.699 -19.122 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -13.471 16.598 -16.700 1.00 0.00 H new ATOM 0 HH TYR B 93 -13.406 18.714 -16.072 1.00 0.00 H new ATOM 1147 N GLY B 94 -11.985 16.472 -23.835 1.00 0.00 N ATOM 1148 CA GLY B 94 -11.907 17.600 -24.745 1.00 0.00 C ATOM 1149 C GLY B 94 -13.186 17.797 -25.534 1.00 0.00 C ATOM 1150 O GLY B 94 -13.604 18.929 -25.778 1.00 0.00 O ATOM 0 H GLY B 94 -11.345 15.706 -24.045 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -11.690 18.506 -24.179 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -11.077 17.449 -25.436 1.00 0.00 H new ATOM 1154 N ILE B 95 -13.808 16.694 -25.935 1.00 0.00 N ATOM 1155 CA ILE B 95 -15.047 16.751 -26.702 1.00 0.00 C ATOM 1156 C ILE B 95 -16.178 17.353 -25.875 1.00 0.00 C ATOM 1157 O ILE B 95 -17.075 18.004 -26.411 1.00 0.00 O ATOM 1158 CB ILE B 95 -15.471 15.354 -27.193 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -14.375 14.743 -28.068 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -16.783 15.438 -27.958 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -14.506 13.246 -28.243 1.00 0.00 C ATOM 0 H ILE B 95 -13.475 15.750 -25.742 1.00 0.00 H new ATOM 0 HA ILE B 95 -14.854 17.387 -27.566 1.00 0.00 H new ATOM 0 HB ILE B 95 -15.619 14.709 -26.327 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -14.397 15.219 -29.049 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.403 14.966 -27.627 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -17.070 14.443 -28.299 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -17.560 15.836 -27.305 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -16.661 16.095 -28.819 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -13.696 12.881 -28.874 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -14.454 12.760 -27.269 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -15.463 13.017 -28.712 1.00 0.00 H new ATOM 1173 N ARG B 96 -16.128 17.131 -24.565 1.00 0.00 N ATOM 1174 CA ARG B 96 -17.149 17.651 -23.663 1.00 0.00 C ATOM 1175 C ARG B 96 -16.967 19.150 -23.444 1.00 0.00 C ATOM 1176 O ARG B 96 -17.934 19.912 -23.463 1.00 0.00 O ATOM 1177 CB ARG B 96 -17.095 16.919 -22.321 1.00 0.00 C ATOM 1178 CG ARG B 96 -18.462 16.691 -21.697 1.00 0.00 C ATOM 1179 CD ARG B 96 -18.788 17.761 -20.666 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.792 17.227 -19.306 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.402 17.820 -18.286 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -20.053 18.960 -18.470 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -19.360 17.273 -17.078 1.00 0.00 N ATOM 0 H ARG B 96 -15.392 16.595 -24.105 1.00 0.00 H new ATOM 0 HA ARG B 96 -18.123 17.483 -24.122 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -16.604 15.956 -22.461 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -16.480 17.493 -21.628 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -19.224 16.691 -22.477 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -18.489 15.709 -21.225 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -18.058 18.567 -20.737 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -19.763 18.194 -20.889 1.00 0.00 H new ATOM 0 HE ARG B 96 -18.300 16.351 -19.130 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -20.087 19.384 -19.397 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -20.520 19.413 -17.685 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -18.859 16.397 -16.932 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -19.829 17.729 -16.295 1.00 0.00 H new