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= -2.69! USER MOD Single : B 92 SER OG : rot -64:sc= 1.22 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N ILE A 73 12.155 -1.246 -18.198 1.00 0.00 N ATOM 197 CA ILE A 73 11.719 0.145 -18.226 1.00 0.00 C ATOM 198 C ILE A 73 11.412 0.596 -19.650 1.00 0.00 C ATOM 199 O ILE A 73 10.299 1.032 -19.949 1.00 0.00 O ATOM 200 CB ILE A 73 12.782 1.081 -17.621 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.172 0.607 -16.219 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.266 2.511 -17.579 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.164 1.517 -15.529 1.00 0.00 C ATOM 0 HA ILE A 73 10.812 0.203 -17.625 1.00 0.00 H new ATOM 0 HB ILE A 73 13.670 1.055 -18.252 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.273 0.531 -15.607 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.596 -0.395 -16.288 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.028 3.160 -17.149 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.034 2.844 -18.591 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.365 2.555 -16.967 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.395 1.120 -14.540 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.078 1.574 -16.120 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.735 2.514 -15.429 1.00 0.00 H new ATOM 215 N THR A 74 12.405 0.486 -20.527 1.00 0.00 N ATOM 216 CA THR A 74 12.242 0.882 -21.920 1.00 0.00 C ATOM 217 C THR A 74 10.985 0.265 -22.523 1.00 0.00 C ATOM 218 O THR A 74 10.226 0.936 -23.224 1.00 0.00 O ATOM 219 CB THR A 74 13.460 0.470 -22.768 1.00 0.00 C ATOM 220 OG1 THR A 74 14.662 0.977 -22.177 1.00 0.00 O ATOM 221 CG2 THR A 74 13.330 0.990 -24.191 1.00 0.00 C ATOM 0 H THR A 74 13.331 0.126 -20.297 1.00 0.00 H new ATOM 0 HA THR A 74 12.152 1.968 -21.931 1.00 0.00 H new ATOM 0 HB THR A 74 13.502 -0.619 -22.799 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.432 0.709 -22.721 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.202 0.686 -24.770 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.430 0.579 -24.648 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.265 2.078 -24.176 1.00 0.00 H new ATOM 229 N LEU A 75 10.770 -1.017 -22.247 1.00 0.00 N ATOM 230 CA LEU A 75 9.603 -1.725 -22.762 1.00 0.00 C ATOM 231 C LEU A 75 8.314 -1.018 -22.358 1.00 0.00 C ATOM 232 O LEU A 75 7.451 -0.754 -23.195 1.00 0.00 O ATOM 233 CB LEU A 75 9.590 -3.166 -22.249 1.00 0.00 C ATOM 234 CG LEU A 75 10.557 -4.132 -22.935 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.441 -5.523 -22.330 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.293 -4.176 -24.433 1.00 0.00 C ATOM 0 H LEU A 75 11.388 -1.587 -21.670 1.00 0.00 H new ATOM 0 HA LEU A 75 9.665 -1.733 -23.850 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.817 -3.153 -21.183 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.579 -3.559 -22.355 1.00 0.00 H new ATOM 0 HG LEU A 75 11.574 -3.773 -22.776 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.136 -6.197 -22.831 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.680 -5.479 -21.267 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.423 -5.892 -22.458 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.990 -4.868 -24.905 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.271 -4.511 -24.613 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.428 -3.180 -24.856 1.00 0.00 H new ATOM 248 N ILE A 76 8.192 -0.711 -21.070 1.00 0.00 N ATOM 249 CA ILE A 76 7.010 -0.031 -20.556 1.00 0.00 C ATOM 250 C ILE A 76 6.767 1.282 -21.293 1.00 0.00 C ATOM 251 O ILE A 76 5.642 1.580 -21.696 1.00 0.00 O ATOM 252 CB ILE A 76 7.136 0.255 -19.048 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.338 -1.049 -18.274 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.904 0.992 -18.544 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.220 -2.049 -18.474 1.00 0.00 C ATOM 0 H ILE A 76 8.897 -0.923 -20.364 1.00 0.00 H new ATOM 0 HA ILE A 76 6.165 -0.699 -20.721 1.00 0.00 H new ATOM 0 HB ILE A 76 8.007 0.890 -18.885 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.280 -1.503 -18.582 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.426 -0.822 -17.212 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.008 1.187 -17.477 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.802 1.937 -19.077 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.018 0.381 -18.717 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.429 -2.949 -17.896 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.278 -1.614 -18.139 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.146 -2.305 -19.531 1.00 0.00 H new ATOM 267 N ILE A 77 7.829 2.061 -21.466 1.00 0.00 N ATOM 268 CA ILE A 77 7.732 3.341 -22.157 1.00 0.00 C ATOM 269 C ILE A 77 7.312 3.150 -23.611 1.00 0.00 C ATOM 270 O ILE A 77 6.384 3.801 -24.091 1.00 0.00 O ATOM 271 CB ILE A 77 9.068 4.106 -22.117 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.500 4.344 -20.668 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.945 5.426 -22.863 1.00 0.00 C ATOM 274 CD1 ILE A 77 10.715 5.235 -20.540 1.00 0.00 C ATOM 0 H ILE A 77 8.766 1.829 -21.137 1.00 0.00 H new ATOM 0 HA ILE A 77 6.973 3.924 -21.635 1.00 0.00 H new ATOM 0 HB ILE A 77 9.831 3.503 -22.610 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.672 4.792 -20.119 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.712 3.384 -20.198 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.897 5.955 -22.826 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.677 5.233 -23.902 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.172 6.037 -22.397 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.965 5.361 -19.486 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.557 4.779 -21.061 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.500 6.209 -20.980 1.00 0.00 H new ATOM 286 N PHE A 78 8.001 2.252 -24.307 1.00 0.00 N ATOM 287 CA PHE A 78 7.699 1.974 -25.706 1.00 0.00 C ATOM 288 C PHE A 78 6.231 1.600 -25.883 1.00 0.00 C ATOM 289 O PHE A 78 5.545 2.128 -26.757 1.00 0.00 O ATOM 290 CB PHE A 78 8.591 0.844 -26.227 1.00 0.00 C ATOM 291 CG PHE A 78 8.196 0.349 -27.589 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.682 0.962 -28.732 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.337 -0.730 -27.726 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.321 0.509 -29.987 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.973 -1.188 -28.978 1.00 0.00 C ATOM 296 CZ PHE A 78 7.464 -0.568 -30.110 1.00 0.00 C ATOM 0 H PHE A 78 8.772 1.704 -23.925 1.00 0.00 H new ATOM 0 HA PHE A 78 7.896 2.879 -26.281 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.623 1.193 -26.261 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.559 0.012 -25.523 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.352 1.805 -28.642 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.948 -1.218 -26.845 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.708 0.996 -30.870 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.304 -2.031 -29.071 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.179 -0.924 -31.089 1.00 0.00 H new ATOM 306 N GLY A 79 5.754 0.685 -25.044 1.00 0.00 N ATOM 307 CA GLY A 79 4.370 0.255 -25.124 1.00 0.00 C ATOM 308 C GLY A 79 3.397 1.412 -25.015 1.00 0.00 C ATOM 309 O GLY A 79 2.542 1.597 -25.881 1.00 0.00 O ATOM 0 H GLY A 79 6.301 0.234 -24.311 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.208 -0.264 -26.069 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.169 -0.462 -24.328 1.00 0.00 H new ATOM 313 N VAL A 80 3.525 2.192 -23.946 1.00 0.00 N ATOM 314 CA VAL A 80 2.649 3.337 -23.726 1.00 0.00 C ATOM 315 C VAL A 80 2.791 4.361 -24.846 1.00 0.00 C ATOM 316 O VAL A 80 1.822 5.015 -25.230 1.00 0.00 O ATOM 317 CB VAL A 80 2.947 4.021 -22.379 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.972 5.162 -22.132 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.895 3.008 -21.244 1.00 0.00 C ATOM 0 H VAL A 80 4.227 2.052 -23.219 1.00 0.00 H new ATOM 0 HA VAL A 80 1.628 2.956 -23.713 1.00 0.00 H new ATOM 0 HB VAL A 80 3.954 4.438 -22.418 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.198 5.633 -21.176 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.064 5.899 -22.930 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.954 4.773 -22.113 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.108 3.509 -20.299 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.902 2.560 -21.201 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.638 2.229 -21.417 1.00 0.00 H new ATOM 329 N MET A 81 4.006 4.495 -25.367 1.00 0.00 N ATOM 330 CA MET A 81 4.275 5.439 -26.446 1.00 0.00 C ATOM 331 C MET A 81 3.539 5.034 -27.719 1.00 0.00 C ATOM 332 O MET A 81 2.908 5.865 -28.372 1.00 0.00 O ATOM 333 CB MET A 81 5.779 5.522 -26.717 1.00 0.00 C ATOM 334 CG MET A 81 6.536 6.353 -25.694 1.00 0.00 C ATOM 335 SD MET A 81 6.378 8.125 -25.986 1.00 0.00 S ATOM 336 CE MET A 81 7.809 8.426 -27.021 1.00 0.00 C ATOM 0 H MET A 81 4.820 3.962 -25.060 1.00 0.00 H new ATOM 0 HA MET A 81 3.914 6.420 -26.135 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.193 4.514 -26.732 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.938 5.947 -27.708 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.166 6.119 -24.696 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.590 6.078 -25.716 1.00 0.00 H new ATOM 0 HE1 MET A 81 7.850 9.482 -27.287 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.714 8.153 -26.479 1.00 0.00 H new ATOM 0 HE3 MET A 81 7.734 7.826 -27.928 1.00 0.00 H new ATOM 346 N ALA A 82 3.624 3.754 -28.065 1.00 0.00 N ATOM 347 CA ALA A 82 2.964 3.240 -29.259 1.00 0.00 C ATOM 348 C ALA A 82 1.447 3.312 -29.121 1.00 0.00 C ATOM 349 O ALA A 82 0.751 3.747 -30.038 1.00 0.00 O ATOM 350 CB ALA A 82 3.404 1.809 -29.530 1.00 0.00 C ATOM 0 H ALA A 82 4.143 3.054 -27.536 1.00 0.00 H new ATOM 0 HA ALA A 82 3.256 3.864 -30.103 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.904 1.438 -30.424 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.483 1.783 -29.681 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.141 1.180 -28.679 1.00 0.00 H new ATOM 356 N GLY A 83 0.940 2.882 -27.970 1.00 0.00 N ATOM 357 CA GLY A 83 -0.491 2.905 -27.734 1.00 0.00 C ATOM 358 C GLY A 83 -1.063 4.308 -27.778 1.00 0.00 C ATOM 359 O GLY A 83 -2.030 4.571 -28.494 1.00 0.00 O ATOM 0 H GLY A 83 1.496 2.518 -27.196 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.990 2.289 -28.482 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.703 2.460 -26.762 1.00 0.00 H new ATOM 363 N VAL A 84 -0.466 5.213 -27.009 1.00 0.00 N ATOM 364 CA VAL A 84 -0.922 6.597 -26.962 1.00 0.00 C ATOM 365 C VAL A 84 -0.996 7.199 -28.361 1.00 0.00 C ATOM 366 O VAL A 84 -2.051 7.665 -28.791 1.00 0.00 O ATOM 367 CB VAL A 84 0.006 7.465 -26.090 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.319 8.940 -26.269 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.105 7.059 -24.628 1.00 0.00 C ATOM 0 H VAL A 84 0.335 5.012 -26.410 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.919 6.587 -26.520 1.00 0.00 H new ATOM 0 HB VAL A 84 1.035 7.303 -26.411 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.346 9.537 -25.646 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.184 9.218 -27.314 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.353 9.123 -25.976 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.557 7.682 -24.026 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.133 7.191 -24.291 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.182 6.013 -24.518 1.00 0.00 H new ATOM 816 N ILE B 73 5.886 -9.899 -22.442 1.00 0.00 N ATOM 817 CA ILE B 73 4.663 -9.617 -23.183 1.00 0.00 C ATOM 818 C ILE B 73 3.676 -8.825 -22.333 1.00 0.00 C ATOM 819 O ILE B 73 3.180 -7.777 -22.751 1.00 0.00 O ATOM 820 CB ILE B 73 3.985 -10.914 -23.663 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.962 -11.750 -24.492 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.737 -10.591 -24.472 1.00 0.00 C ATOM 823 CD1 ILE B 73 5.117 -13.169 -23.994 1.00 0.00 C ATOM 0 HA ILE B 73 4.949 -9.023 -24.051 1.00 0.00 H new ATOM 0 HB ILE B 73 3.689 -11.496 -22.790 1.00 0.00 H new ATOM 0 HG12 ILE B 73 4.621 -11.772 -25.527 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.938 -11.264 -24.488 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.269 -11.518 -24.804 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.036 -10.032 -23.852 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.011 -9.991 -25.340 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.824 -13.702 -24.629 1.00 0.00 H new ATOM 0 HD12 ILE B 73 5.488 -13.156 -22.969 1.00 0.00 H new ATOM 0 HD13 ILE B 73 4.151 -13.673 -24.024 1.00 0.00 H new ATOM 835 N THR B 74 3.394 -9.331 -21.136 1.00 0.00 N ATOM 836 CA THR B 74 2.466 -8.670 -20.227 1.00 0.00 C ATOM 837 C THR B 74 2.802 -7.191 -20.077 1.00 0.00 C ATOM 838 O THR B 74 1.927 -6.331 -20.182 1.00 0.00 O ATOM 839 CB THR B 74 2.478 -9.331 -18.835 1.00 0.00 C ATOM 840 OG1 THR B 74 2.229 -10.736 -18.958 1.00 0.00 O ATOM 841 CG2 THR B 74 1.430 -8.703 -17.929 1.00 0.00 C ATOM 0 H THR B 74 3.795 -10.196 -20.774 1.00 0.00 H new ATOM 0 HA THR B 74 1.472 -8.771 -20.662 1.00 0.00 H new ATOM 0 HB THR B 74 3.461 -9.174 -18.391 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.240 -11.149 -18.069 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.457 -9.186 -16.952 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.639 -7.639 -17.814 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.442 -8.833 -18.371 1.00 0.00 H new ATOM 849 N LEU B 75 4.075 -6.901 -19.830 1.00 0.00 N ATOM 850 CA LEU B 75 4.527 -5.523 -19.666 1.00 0.00 C ATOM 851 C LEU B 75 4.165 -4.682 -20.886 1.00 0.00 C ATOM 852 O LEU B 75 3.604 -3.594 -20.757 1.00 0.00 O ATOM 853 CB LEU B 75 6.040 -5.486 -19.438 1.00 0.00 C ATOM 854 CG LEU B 75 6.540 -6.135 -18.147 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.060 -6.172 -18.122 1.00 0.00 C ATOM 856 CD2 LEU B 75 6.003 -5.391 -16.933 1.00 0.00 C ATOM 0 H LEU B 75 4.812 -7.600 -19.739 1.00 0.00 H new ATOM 0 HA LEU B 75 4.023 -5.103 -18.796 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.526 -5.978 -20.280 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.363 -4.445 -19.447 1.00 0.00 H new ATOM 0 HG LEU B 75 6.171 -7.160 -18.112 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.397 -6.637 -17.196 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.424 -6.750 -18.972 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.450 -5.156 -18.180 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.369 -5.867 -16.023 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.341 -4.355 -16.962 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.913 -5.417 -16.943 1.00 0.00 H new ATOM 868 N ILE B 76 4.487 -5.195 -22.069 1.00 0.00 N ATOM 869 CA ILE B 76 4.192 -4.492 -23.311 1.00 0.00 C ATOM 870 C ILE B 76 2.705 -4.174 -23.423 1.00 0.00 C ATOM 871 O ILE B 76 2.324 -3.060 -23.783 1.00 0.00 O ATOM 872 CB ILE B 76 4.624 -5.315 -24.540 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.093 -5.724 -24.416 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.395 -4.521 -25.817 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.050 -4.553 -24.439 1.00 0.00 C ATOM 0 H ILE B 76 4.952 -6.094 -22.193 1.00 0.00 H new ATOM 0 HA ILE B 76 4.759 -3.561 -23.289 1.00 0.00 H new ATOM 0 HB ILE B 76 4.017 -6.219 -24.585 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.231 -6.277 -23.487 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.343 -6.403 -25.231 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.705 -5.116 -26.676 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.337 -4.276 -25.908 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.979 -3.601 -25.783 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.073 -4.917 -24.347 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.941 -4.012 -25.379 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.827 -3.884 -23.608 1.00 0.00 H new ATOM 887 N ILE B 77 1.870 -5.159 -23.112 1.00 0.00 N ATOM 888 CA ILE B 77 0.424 -4.983 -23.174 1.00 0.00 C ATOM 889 C ILE B 77 -0.047 -3.945 -22.162 1.00 0.00 C ATOM 890 O ILE B 77 -0.786 -3.021 -22.503 1.00 0.00 O ATOM 891 CB ILE B 77 -0.316 -6.309 -22.916 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.011 -7.323 -24.015 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.817 -6.071 -22.837 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.596 -6.976 -25.356 1.00 0.00 C ATOM 0 H ILE B 77 2.170 -6.088 -22.814 1.00 0.00 H new ATOM 0 HA ILE B 77 0.191 -4.637 -24.181 1.00 0.00 H new ATOM 0 HB ILE B 77 0.019 -6.715 -21.962 1.00 0.00 H new ATOM 0 HG12 ILE B 77 1.093 -7.394 -24.122 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.344 -8.307 -23.708 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.326 -7.017 -22.654 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.033 -5.379 -22.023 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.168 -5.646 -23.777 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.323 -7.737 -26.087 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.681 -6.934 -25.264 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.222 -6.007 -25.685 1.00 0.00 H new ATOM 906 N PHE B 78 0.386 -4.103 -20.915 1.00 0.00 N ATOM 907 CA PHE B 78 0.008 -3.179 -19.852 1.00 0.00 C ATOM 908 C PHE B 78 0.346 -1.741 -20.236 1.00 0.00 C ATOM 909 O PHE B 78 -0.483 -0.841 -20.107 1.00 0.00 O ATOM 910 CB PHE B 78 0.718 -3.550 -18.549 1.00 0.00 C ATOM 911 CG PHE B 78 0.579 -2.511 -17.473 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.498 -2.537 -16.602 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.526 -1.509 -17.333 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.629 -1.581 -15.612 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.401 -0.551 -16.344 1.00 0.00 C ATOM 916 CZ PHE B 78 0.322 -0.588 -15.482 1.00 0.00 C ATOM 0 H PHE B 78 0.999 -4.862 -20.616 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.069 -3.254 -19.705 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.318 -4.496 -18.183 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.777 -3.710 -18.754 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.243 -3.313 -16.697 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.371 -1.476 -18.004 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.474 -1.611 -14.941 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.146 0.225 -16.245 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.222 0.158 -14.708 1.00 0.00 H new ATOM 926 N GLY B 79 1.571 -1.533 -20.709 1.00 0.00 N ATOM 927 CA GLY B 79 1.998 -0.203 -21.104 1.00 0.00 C ATOM 928 C GLY B 79 1.083 0.415 -22.143 1.00 0.00 C ATOM 929 O GLY B 79 0.567 1.516 -21.951 1.00 0.00 O ATOM 0 H GLY B 79 2.275 -2.262 -20.826 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.031 0.441 -20.225 1.00 0.00 H new ATOM 0 HA3 GLY B 79 3.012 -0.253 -21.501 1.00 0.00 H new ATOM 933 N VAL B 80 0.881 -0.295 -23.249 1.00 0.00 N ATOM 934 CA VAL B 80 0.023 0.190 -24.323 1.00 0.00 C ATOM 935 C VAL B 80 -1.410 0.379 -23.838 1.00 0.00 C ATOM 936 O VAL B 80 -2.111 1.288 -24.282 1.00 0.00 O ATOM 937 CB VAL B 80 0.024 -0.776 -25.523 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.809 -0.212 -26.664 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.448 -1.056 -25.979 1.00 0.00 C ATOM 0 H VAL B 80 1.300 -1.208 -23.424 1.00 0.00 H new ATOM 0 HA VAL B 80 0.426 1.152 -24.640 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.425 -1.718 -25.209 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.796 -0.908 -27.503 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.836 -0.067 -26.328 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.393 0.744 -26.980 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.430 -1.740 -26.827 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.925 -0.122 -26.276 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.010 -1.507 -25.161 1.00 0.00 H new ATOM 949 N MET B 81 -1.839 -0.485 -22.925 1.00 0.00 N ATOM 950 CA MET B 81 -3.189 -0.412 -22.378 1.00 0.00 C ATOM 951 C MET B 81 -3.379 0.868 -21.569 1.00 0.00 C ATOM 952 O MET B 81 -4.376 1.571 -21.728 1.00 0.00 O ATOM 953 CB MET B 81 -3.473 -1.631 -21.499 1.00 0.00 C ATOM 954 CG MET B 81 -3.776 -2.893 -22.290 1.00 0.00 C ATOM 955 SD MET B 81 -5.432 -2.884 -23.004 1.00 0.00 S ATOM 956 CE MET B 81 -6.344 -3.790 -21.757 1.00 0.00 C ATOM 0 H MET B 81 -1.272 -1.244 -22.548 1.00 0.00 H new ATOM 0 HA MET B 81 -3.892 -0.402 -23.211 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.612 -1.813 -20.856 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.318 -1.409 -20.847 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.041 -3.002 -23.088 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.670 -3.760 -21.638 1.00 0.00 H new ATOM 0 HE1 MET B 81 -7.389 -3.869 -22.056 1.00 0.00 H new ATOM 0 HE2 MET B 81 -5.921 -4.789 -21.651 1.00 0.00 H new ATOM 0 HE3 MET B 81 -6.278 -3.265 -20.804 1.00 0.00 H new ATOM 966 N ALA B 82 -2.416 1.163 -20.702 1.00 0.00 N ATOM 967 CA ALA B 82 -2.478 2.359 -19.870 1.00 0.00 C ATOM 968 C ALA B 82 -2.388 3.623 -20.719 1.00 0.00 C ATOM 969 O ALA B 82 -3.149 4.569 -20.522 1.00 0.00 O ATOM 970 CB ALA B 82 -1.365 2.337 -18.833 1.00 0.00 C ATOM 0 H ALA B 82 -1.584 0.591 -20.557 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.439 2.366 -19.356 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.423 3.235 -18.218 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.475 1.457 -18.200 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.399 2.303 -19.337 1.00 0.00 H new ATOM 976 N GLY B 83 -1.452 3.631 -21.663 1.00 0.00 N ATOM 977 CA GLY B 83 -1.280 4.785 -22.526 1.00 0.00 C ATOM 978 C GLY B 83 -2.507 5.066 -23.370 1.00 0.00 C ATOM 979 O GLY B 83 -3.016 6.187 -23.386 1.00 0.00 O ATOM 0 H GLY B 83 -0.810 2.860 -21.845 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.054 5.660 -21.917 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.423 4.622 -23.179 1.00 0.00 H new ATOM 983 N VAL B 84 -2.985 4.045 -24.075 1.00 0.00 N ATOM 984 CA VAL B 84 -4.160 4.187 -24.926 1.00 0.00 C ATOM 985 C VAL B 84 -5.336 4.767 -24.147 1.00 0.00 C ATOM 986 O VAL B 84 -5.875 5.814 -24.506 1.00 0.00 O ATOM 987 CB VAL B 84 -4.579 2.836 -25.535 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.948 2.946 -26.190 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.538 2.358 -26.536 1.00 0.00 C ATOM 0 H VAL B 84 -2.576 3.111 -24.073 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.887 4.871 -25.730 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.645 2.101 -24.733 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.227 1.982 -26.615 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.686 3.241 -25.444 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.914 3.695 -26.982 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.850 1.402 -26.957 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.439 3.092 -27.336 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.578 2.237 -26.033 1.00 0.00 H new ATOM 999 N ILE B 85 -5.727 4.080 -23.079 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.838 4.528 -22.248 1.00 0.00 C ATOM 1001 C ILE B 85 -6.609 5.949 -21.744 1.00 0.00 C ATOM 1002 O ILE B 85 -7.529 6.764 -21.713 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.050 3.595 -21.042 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.383 2.179 -21.517 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.156 4.132 -20.145 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.701 2.082 -22.252 1.00 0.00 C ATOM 0 H ILE B 85 -5.291 3.211 -22.769 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.730 4.507 -22.874 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.126 3.557 -20.464 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.585 1.827 -22.171 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.407 1.512 -20.655 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.294 3.462 -19.297 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.882 5.123 -19.783 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.085 4.196 -20.712 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.871 1.050 -22.559 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.509 2.403 -21.594 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.674 2.723 -23.133 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.372 6.239 -21.350 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.043 7.562 -20.853 1.00 0.00 C ATOM 1020 C GLY B 86 -5.331 8.650 -21.868 1.00 0.00 C ATOM 1021 O GLY B 86 -6.011 9.631 -21.564 1.00 0.00 O ATOM 0 H GLY B 86 -4.593 5.581 -21.366 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.612 7.757 -19.944 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -3.988 7.593 -20.581 1.00 0.00 H new ATOM 1025 N THR B 87 -4.811 8.480 -23.080 1.00 0.00 N ATOM 1026 CA THR B 87 -5.013 9.456 -24.143 1.00 0.00 C ATOM 1027 C THR B 87 -6.497 9.682 -24.408 1.00 0.00 C ATOM 1028 O THR B 87 -6.949 10.820 -24.534 1.00 0.00 O ATOM 1029 CB THR B 87 -4.331 9.012 -25.451 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.056 8.427 -25.164 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.153 10.191 -26.395 1.00 0.00 C ATOM 0 H THR B 87 -4.246 7.674 -23.349 1.00 0.00 H new ATOM 0 HA THR B 87 -4.561 10.389 -23.805 1.00 0.00 H new ATOM 0 HB THR B 87 -4.969 8.272 -25.935 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.633 8.911 -24.424 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.669 9.853 -27.312 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.128 10.616 -26.634 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.534 10.950 -25.917 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.251 8.590 -24.490 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.685 8.670 -24.738 1.00 0.00 C ATOM 1041 C ILE B 88 -9.367 9.589 -23.730 1.00 0.00 C ATOM 1042 O ILE B 88 -10.111 10.497 -24.104 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.345 7.280 -24.677 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.728 6.352 -25.725 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.848 7.398 -24.884 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.955 4.884 -25.441 1.00 0.00 C ATOM 0 H ILE B 88 -6.892 7.641 -24.388 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.809 9.079 -25.741 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.167 6.852 -23.691 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.145 6.593 -26.703 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.656 6.542 -25.780 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.300 6.407 -24.838 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.274 8.028 -24.103 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.047 7.843 -25.859 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.490 4.286 -26.225 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.513 4.627 -24.478 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -10.025 4.680 -25.415 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.108 9.349 -22.449 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.695 10.156 -21.385 1.00 0.00 C ATOM 1060 C LEU B 89 -9.363 11.633 -21.576 1.00 0.00 C ATOM 1061 O LEU B 89 -10.253 12.484 -21.593 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.193 9.681 -20.021 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.807 8.382 -19.495 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -8.877 7.720 -18.492 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.167 8.651 -18.868 1.00 0.00 C ATOM 0 H LEU B 89 -8.495 8.602 -22.122 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.778 10.037 -21.428 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.112 9.551 -20.079 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.381 10.469 -19.292 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.945 7.701 -20.335 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.331 6.798 -18.129 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -7.926 7.492 -18.973 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.706 8.395 -17.653 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.589 7.716 -18.499 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.054 9.350 -18.039 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.834 9.080 -19.616 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.076 11.930 -21.720 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.625 13.304 -21.912 1.00 0.00 C ATOM 1079 C LEU B 90 -8.288 13.929 -23.135 1.00 0.00 C ATOM 1080 O LEU B 90 -8.868 15.012 -23.054 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.104 13.346 -22.066 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.294 12.898 -20.848 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -3.951 12.331 -21.280 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.100 14.057 -19.881 1.00 0.00 C ATOM 0 H LEU B 90 -7.327 11.238 -21.707 1.00 0.00 H new ATOM 0 HA LEU B 90 -7.911 13.880 -21.032 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.827 12.718 -22.913 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.812 14.366 -22.317 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.849 12.112 -20.335 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.389 12.018 -20.401 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.111 11.473 -21.933 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.389 13.095 -21.817 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.522 13.720 -19.021 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.567 14.864 -20.383 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.072 14.418 -19.546 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.201 13.239 -24.267 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.795 13.724 -25.506 1.00 0.00 C ATOM 1098 C ILE B 91 -10.283 14.006 -25.328 1.00 0.00 C ATOM 1099 O ILE B 91 -10.775 15.068 -25.711 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.609 12.715 -26.654 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.348 13.046 -27.455 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.832 12.710 -27.559 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.104 13.162 -26.602 1.00 0.00 C ATOM 0 H ILE B 91 -7.724 12.341 -24.351 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.279 14.650 -25.761 1.00 0.00 H new ATOM 0 HB ILE B 91 -8.494 11.719 -26.227 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -7.192 12.273 -28.208 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.502 13.984 -27.988 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.685 11.992 -28.366 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.712 12.430 -26.980 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.977 13.705 -27.981 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.249 13.398 -27.236 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -6.240 13.955 -25.866 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -5.925 12.217 -26.089 1.00 0.00 H new ATOM 1115 N SER B 92 -10.995 13.048 -24.743 1.00 0.00 N ATOM 1116 CA SER B 92 -12.428 13.192 -24.515 1.00 0.00 C ATOM 1117 C SER B 92 -12.729 14.463 -23.726 1.00 0.00 C ATOM 1118 O SER B 92 -13.801 15.053 -23.862 1.00 0.00 O ATOM 1119 CB SER B 92 -12.972 11.973 -23.767 1.00 0.00 C ATOM 1120 OG SER B 92 -12.859 12.143 -22.365 1.00 0.00 O ATOM 0 H SER B 92 -10.603 12.164 -24.418 1.00 0.00 H new ATOM 0 HA SER B 92 -12.919 13.263 -25.485 1.00 0.00 H new ATOM 0 HB2 SER B 92 -14.017 11.815 -24.034 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.426 11.081 -24.074 1.00 0.00 H new ATOM 0 HG SER B 92 -11.912 12.197 -22.117 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.774 14.879 -22.902 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.936 16.078 -22.088 1.00 0.00 C ATOM 1128 C TYR B 93 -11.842 17.336 -22.947 1.00 0.00 C ATOM 1129 O TYR B 93 -12.546 18.316 -22.711 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.875 16.119 -20.986 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.249 17.005 -19.820 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.400 16.764 -19.080 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.451 18.083 -19.457 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.746 17.571 -18.013 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -10.788 18.895 -18.391 1.00 0.00 C ATOM 1136 CZ TYR B 93 -11.936 18.635 -17.673 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.276 19.442 -16.611 1.00 0.00 O ATOM 0 H TYR B 93 -10.880 14.404 -22.780 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.925 16.045 -21.630 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.702 15.106 -20.622 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -9.935 16.470 -21.411 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -13.035 15.931 -19.343 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -9.552 18.290 -20.018 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.645 17.370 -17.449 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -10.156 19.728 -18.122 1.00 0.00 H new ATOM 0 HH TYR B 93 -11.600 20.144 -16.504 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.965 17.298 -23.946 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.794 18.439 -24.826 1.00 0.00 C ATOM 1149 C GLY B 94 -12.036 18.733 -25.643 1.00 0.00 C ATOM 1150 O GLY B 94 -12.378 19.894 -25.871 1.00 0.00 O ATOM 0 H GLY B 94 -10.370 16.498 -24.161 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.537 19.316 -24.232 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.956 18.253 -25.498 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.713 17.679 -26.087 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.924 17.829 -26.884 1.00 0.00 C ATOM 1156 C ILE B 95 -15.041 18.474 -26.070 1.00 0.00 C ATOM 1157 O ILE B 95 -15.879 19.197 -26.610 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.414 16.473 -27.425 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.334 15.825 -28.293 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.701 16.653 -28.217 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -12.936 16.663 -29.488 1.00 0.00 C ATOM 0 H ILE B 95 -12.443 16.712 -25.908 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.671 18.475 -27.725 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.619 15.814 -26.581 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.452 15.637 -27.681 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.692 14.856 -28.642 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.035 15.686 -28.593 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.470 17.076 -27.571 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.521 17.326 -29.055 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.167 16.142 -30.058 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.807 16.830 -30.122 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -12.547 17.622 -29.146 1.00 0.00 H new ATOM 1173 N ARG B 96 -15.047 18.207 -24.768 1.00 0.00 N ATOM 1174 CA ARG B 96 -16.060 18.761 -23.879 1.00 0.00 C ATOM 1175 C ARG B 96 -15.795 20.239 -23.606 1.00 0.00 C ATOM 1176 O ARG B 96 -16.726 21.025 -23.432 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.092 17.986 -22.561 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.226 16.978 -22.475 1.00 0.00 C ATOM 1179 CD ARG B 96 -18.548 17.653 -22.143 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.706 17.871 -20.708 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.832 18.300 -20.149 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -20.894 18.555 -20.902 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -19.899 18.474 -18.836 1.00 0.00 N ATOM 0 H ARG B 96 -14.361 17.610 -24.306 1.00 0.00 H new ATOM 0 HA ARG B 96 -17.028 18.668 -24.371 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.143 17.465 -22.433 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -16.182 18.693 -21.736 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -17.315 16.447 -23.423 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -16.995 16.233 -21.713 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -18.608 18.609 -22.664 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -19.371 17.039 -22.509 1.00 0.00 H new ATOM 0 HE ARG B 96 -17.908 17.684 -20.101 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -20.847 18.422 -21.912 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -21.758 18.884 -20.471 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -19.085 18.278 -18.253 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -20.765 18.804 -18.409 1.00 0.00 H new