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= -3.19! 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 12.103 -1.313 -18.211 1.00 0.00 N ATOM 197 CA ILE A 73 11.690 0.084 -18.240 1.00 0.00 C ATOM 198 C ILE A 73 11.385 0.538 -19.664 1.00 0.00 C ATOM 199 O ILE A 73 10.278 0.987 -19.961 1.00 0.00 O ATOM 200 CB ILE A 73 12.771 1.004 -17.641 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.160 0.525 -16.241 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.278 2.442 -17.597 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.162 1.424 -15.551 1.00 0.00 C ATOM 0 HA ILE A 73 10.786 0.158 -17.636 1.00 0.00 H new ATOM 0 HB ILE A 73 13.655 0.963 -18.277 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.262 0.457 -15.627 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.575 -0.480 -16.312 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.053 3.079 -17.171 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.046 2.778 -18.608 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.381 2.500 -16.980 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.391 1.023 -14.564 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.075 1.473 -16.144 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.742 2.425 -15.448 1.00 0.00 H new ATOM 215 N THR A 74 12.375 0.416 -20.543 1.00 0.00 N ATOM 216 CA THR A 74 12.213 0.812 -21.936 1.00 0.00 C ATOM 217 C THR A 74 10.948 0.209 -22.536 1.00 0.00 C ATOM 218 O THR A 74 10.197 0.887 -23.238 1.00 0.00 O ATOM 219 CB THR A 74 13.425 0.385 -22.786 1.00 0.00 C ATOM 220 OG1 THR A 74 14.632 0.892 -22.206 1.00 0.00 O ATOM 221 CG2 THR A 74 13.290 0.893 -24.214 1.00 0.00 C ATOM 0 H THR A 74 13.298 0.046 -20.314 1.00 0.00 H new ATOM 0 HA THR A 74 12.135 1.899 -21.948 1.00 0.00 H new ATOM 0 HB THR A 74 13.462 -0.704 -22.807 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.398 0.615 -22.751 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.157 0.579 -24.795 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.385 0.483 -24.662 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.231 1.981 -24.209 1.00 0.00 H new ATOM 229 N LEU A 75 10.717 -1.069 -22.255 1.00 0.00 N ATOM 230 CA LEU A 75 9.541 -1.764 -22.766 1.00 0.00 C ATOM 231 C LEU A 75 8.261 -1.041 -22.361 1.00 0.00 C ATOM 232 O LEU A 75 7.401 -0.764 -23.197 1.00 0.00 O ATOM 233 CB LEU A 75 9.511 -3.204 -22.251 1.00 0.00 C ATOM 234 CG LEU A 75 10.469 -4.181 -22.934 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.339 -5.569 -22.326 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.207 -4.226 -24.432 1.00 0.00 C ATOM 0 H LEU A 75 11.329 -1.645 -21.676 1.00 0.00 H new ATOM 0 HA LEU A 75 9.601 -1.775 -23.854 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.735 -3.192 -21.184 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.496 -3.586 -22.359 1.00 0.00 H new ATOM 0 HG LEU A 75 11.489 -3.831 -22.775 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.028 -6.251 -22.825 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.578 -5.525 -21.263 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.318 -5.928 -22.454 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.898 -4.926 -24.901 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.182 -4.551 -24.613 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.353 -3.233 -24.857 1.00 0.00 H new ATOM 248 N ILE A 76 8.143 -0.735 -21.073 1.00 0.00 N ATOM 249 CA ILE A 76 6.970 -0.040 -20.557 1.00 0.00 C ATOM 250 C ILE A 76 6.743 1.276 -21.293 1.00 0.00 C ATOM 251 O ILE A 76 5.620 1.592 -21.688 1.00 0.00 O ATOM 252 CB ILE A 76 7.101 0.243 -19.049 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.291 -1.063 -18.277 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.877 0.992 -18.543 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.170 -2.057 -18.486 1.00 0.00 C ATOM 0 H ILE A 76 8.846 -0.958 -20.368 1.00 0.00 H new ATOM 0 HA ILE A 76 6.116 -0.697 -20.721 1.00 0.00 H new ATOM 0 HB ILE A 76 7.979 0.869 -18.886 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.233 -1.521 -18.580 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.373 -0.838 -17.214 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.984 1.185 -17.476 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.784 1.939 -19.075 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.985 0.390 -18.715 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.371 -2.959 -17.909 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.228 -1.618 -18.157 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.101 -2.311 -19.544 1.00 0.00 H new ATOM 267 N ILE A 77 7.816 2.038 -21.475 1.00 0.00 N ATOM 268 CA ILE A 77 7.734 3.319 -22.167 1.00 0.00 C ATOM 269 C ILE A 77 7.309 3.133 -23.620 1.00 0.00 C ATOM 270 O ILE A 77 6.387 3.793 -24.097 1.00 0.00 O ATOM 271 CB ILE A 77 9.080 4.066 -22.129 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.454 4.414 -20.686 1.00 0.00 C ATOM 273 CG2 ILE A 77 9.012 5.323 -22.982 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.577 5.485 -20.076 1.00 0.00 C ATOM 0 H ILE A 77 8.752 1.791 -21.153 1.00 0.00 H new ATOM 0 HA ILE A 77 6.983 3.912 -21.645 1.00 0.00 H new ATOM 0 HB ILE A 77 9.852 3.415 -22.538 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.391 3.513 -20.076 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.492 4.746 -20.658 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.971 5.840 -22.945 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.786 5.051 -24.013 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.231 5.980 -22.600 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.899 5.680 -19.053 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.658 6.400 -20.663 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.541 5.148 -20.071 1.00 0.00 H new ATOM 286 N PHE A 78 7.988 2.228 -24.317 1.00 0.00 N ATOM 287 CA PHE A 78 7.681 1.954 -25.716 1.00 0.00 C ATOM 288 C PHE A 78 6.207 1.598 -25.890 1.00 0.00 C ATOM 289 O PHE A 78 5.526 2.136 -26.762 1.00 0.00 O ATOM 290 CB PHE A 78 8.557 0.814 -26.239 1.00 0.00 C ATOM 291 CG PHE A 78 8.157 0.326 -27.602 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.646 0.941 -28.744 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.291 -0.747 -27.742 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.278 0.494 -29.999 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.920 -1.198 -28.994 1.00 0.00 C ATOM 296 CZ PHE A 78 7.415 -0.577 -30.124 1.00 0.00 C ATOM 0 H PHE A 78 8.754 1.672 -23.936 1.00 0.00 H new ATOM 0 HA PHE A 78 7.889 2.856 -26.291 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.594 1.149 -26.272 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.513 -0.018 -25.537 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.322 1.778 -28.652 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.901 -1.237 -26.862 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.665 0.982 -30.881 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.244 -2.035 -29.089 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.128 -0.928 -31.104 1.00 0.00 H new ATOM 306 N GLY A 79 5.722 0.686 -25.053 1.00 0.00 N ATOM 307 CA GLY A 79 4.333 0.272 -25.130 1.00 0.00 C ATOM 308 C GLY A 79 3.373 1.440 -25.018 1.00 0.00 C ATOM 309 O GLY A 79 2.518 1.636 -25.882 1.00 0.00 O ATOM 0 H GLY A 79 6.266 0.226 -24.323 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.163 -0.245 -26.074 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.125 -0.443 -24.334 1.00 0.00 H new ATOM 313 N VAL A 80 3.513 2.218 -23.949 1.00 0.00 N ATOM 314 CA VAL A 80 2.651 3.373 -23.727 1.00 0.00 C ATOM 315 C VAL A 80 2.802 4.396 -24.847 1.00 0.00 C ATOM 316 O VAL A 80 1.839 5.061 -25.228 1.00 0.00 O ATOM 317 CB VAL A 80 2.960 4.053 -22.380 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.997 5.203 -22.128 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.902 3.040 -21.246 1.00 0.00 C ATOM 0 H VAL A 80 4.215 2.069 -23.224 1.00 0.00 H new ATOM 0 HA VAL A 80 1.625 3.004 -23.713 1.00 0.00 H new ATOM 0 HB VAL A 80 3.970 4.460 -22.422 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.231 5.671 -21.172 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.093 5.940 -22.926 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.975 4.824 -22.106 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.123 3.538 -20.302 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.905 2.601 -21.201 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.636 2.254 -21.422 1.00 0.00 H new ATOM 329 N MET A 81 4.018 4.517 -25.370 1.00 0.00 N ATOM 330 CA MET A 81 4.295 5.458 -26.449 1.00 0.00 C ATOM 331 C MET A 81 3.553 5.061 -27.721 1.00 0.00 C ATOM 332 O MET A 81 2.921 5.896 -28.368 1.00 0.00 O ATOM 333 CB MET A 81 5.799 5.526 -26.722 1.00 0.00 C ATOM 334 CG MET A 81 6.565 6.351 -25.700 1.00 0.00 C ATOM 335 SD MET A 81 6.585 8.109 -26.100 1.00 0.00 S ATOM 336 CE MET A 81 8.039 8.203 -27.142 1.00 0.00 C ATOM 0 H MET A 81 4.827 3.976 -25.064 1.00 0.00 H new ATOM 0 HA MET A 81 3.945 6.442 -26.138 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.204 4.514 -26.737 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.961 5.949 -27.714 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.116 6.211 -24.716 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.590 5.985 -25.638 1.00 0.00 H new ATOM 0 HE1 MET A 81 8.185 9.232 -27.471 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.912 7.874 -26.579 1.00 0.00 H new ATOM 0 HE3 MET A 81 7.905 7.560 -28.012 1.00 0.00 H new ATOM 346 N ALA A 82 3.635 3.783 -28.074 1.00 0.00 N ATOM 347 CA ALA A 82 2.969 3.276 -29.268 1.00 0.00 C ATOM 348 C ALA A 82 1.453 3.356 -29.127 1.00 0.00 C ATOM 349 O ALA A 82 0.757 3.790 -30.044 1.00 0.00 O ATOM 350 CB ALA A 82 3.401 1.843 -29.544 1.00 0.00 C ATOM 0 H ALA A 82 4.156 3.079 -27.551 1.00 0.00 H new ATOM 0 HA ALA A 82 3.262 3.901 -30.111 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.896 1.477 -30.438 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.480 1.811 -29.697 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.137 1.213 -28.694 1.00 0.00 H new ATOM 356 N GLY A 83 0.947 2.933 -27.972 1.00 0.00 N ATOM 357 CA GLY A 83 -0.484 2.965 -27.733 1.00 0.00 C ATOM 358 C GLY A 83 -1.048 4.371 -27.776 1.00 0.00 C ATOM 359 O GLY A 83 -2.017 4.638 -28.487 1.00 0.00 O ATOM 0 H GLY A 83 1.503 2.569 -27.198 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.988 2.352 -28.480 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.697 2.521 -26.760 1.00 0.00 H new ATOM 363 N VAL A 84 -0.441 5.274 -27.012 1.00 0.00 N ATOM 364 CA VAL A 84 -0.889 6.661 -26.965 1.00 0.00 C ATOM 365 C VAL A 84 -0.966 7.261 -28.364 1.00 0.00 C ATOM 366 O VAL A 84 -2.025 7.714 -28.798 1.00 0.00 O ATOM 367 CB VAL A 84 0.047 7.524 -26.098 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.264 9.001 -26.284 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.065 7.127 -24.634 1.00 0.00 C ATOM 0 H VAL A 84 0.362 5.070 -26.417 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.884 6.658 -26.519 1.00 0.00 H new ATOM 0 HB VAL A 84 1.074 7.350 -26.420 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.407 9.595 -25.664 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.127 9.273 -27.331 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.296 9.195 -25.991 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.603 7.747 -24.037 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.091 7.270 -24.296 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.213 6.079 -24.519 1.00 0.00 H new ATOM 816 N ILE B 73 5.743 -9.909 -22.510 1.00 0.00 N ATOM 817 CA ILE B 73 4.521 -9.609 -23.247 1.00 0.00 C ATOM 818 C ILE B 73 3.546 -8.808 -22.391 1.00 0.00 C ATOM 819 O ILE B 73 3.059 -7.755 -22.805 1.00 0.00 O ATOM 820 CB ILE B 73 3.825 -10.895 -23.730 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.762 -11.700 -24.632 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.537 -10.556 -24.465 1.00 0.00 C ATOM 823 CD1 ILE B 73 4.375 -13.157 -24.759 1.00 0.00 C ATOM 0 HA ILE B 73 4.813 -9.016 -24.114 1.00 0.00 H new ATOM 0 HB ILE B 73 3.576 -11.504 -22.861 1.00 0.00 H new ATOM 0 HG12 ILE B 73 4.775 -11.248 -25.624 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.776 -11.635 -24.239 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.057 -11.475 -24.800 1.00 0.00 H new ATOM 0 HG22 ILE B 73 1.866 -10.020 -23.794 1.00 0.00 H new ATOM 0 HG23 ILE B 73 2.764 -9.930 -25.328 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.083 -13.666 -25.413 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.390 -13.625 -23.774 1.00 0.00 H new ATOM 0 HD13 ILE B 73 3.373 -13.232 -25.181 1.00 0.00 H new ATOM 835 N THR B 74 3.267 -9.311 -21.193 1.00 0.00 N ATOM 836 CA THR B 74 2.351 -8.642 -20.277 1.00 0.00 C ATOM 837 C THR B 74 2.704 -7.167 -20.126 1.00 0.00 C ATOM 838 O THR B 74 1.839 -6.297 -20.230 1.00 0.00 O ATOM 839 CB THR B 74 2.362 -9.306 -18.887 1.00 0.00 C ATOM 840 OG1 THR B 74 2.043 -10.697 -19.006 1.00 0.00 O ATOM 841 CG2 THR B 74 1.365 -8.630 -17.957 1.00 0.00 C ATOM 0 H THR B 74 3.662 -10.180 -20.834 1.00 0.00 H new ATOM 0 HA THR B 74 1.353 -8.732 -20.706 1.00 0.00 H new ATOM 0 HB THR B 74 3.361 -9.198 -18.465 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.054 -11.112 -18.118 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.390 -9.116 -16.981 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.627 -7.578 -17.845 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.362 -8.712 -18.377 1.00 0.00 H new ATOM 849 N LEU B 75 3.981 -6.892 -19.881 1.00 0.00 N ATOM 850 CA LEU B 75 4.449 -5.520 -19.716 1.00 0.00 C ATOM 851 C LEU B 75 4.094 -4.673 -20.935 1.00 0.00 C ATOM 852 O LEU B 75 3.549 -3.577 -20.803 1.00 0.00 O ATOM 853 CB LEU B 75 5.962 -5.500 -19.491 1.00 0.00 C ATOM 854 CG LEU B 75 6.457 -6.160 -18.203 1.00 0.00 C ATOM 855 CD1 LEU B 75 7.977 -6.212 -18.181 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.929 -5.416 -16.986 1.00 0.00 C ATOM 0 H LEU B 75 4.710 -7.600 -19.792 1.00 0.00 H new ATOM 0 HA LEU B 75 3.952 -5.095 -18.844 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.442 -5.994 -20.336 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.296 -4.463 -19.496 1.00 0.00 H new ATOM 0 HG LEU B 75 6.078 -7.182 -18.171 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.312 -6.685 -17.258 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.334 -6.789 -19.034 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.377 -5.199 -18.236 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.291 -5.899 -16.079 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.278 -4.384 -17.011 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.839 -5.431 -16.995 1.00 0.00 H new ATOM 868 N ILE B 76 4.405 -5.190 -22.119 1.00 0.00 N ATOM 869 CA ILE B 76 4.115 -4.483 -23.360 1.00 0.00 C ATOM 870 C ILE B 76 2.632 -4.147 -23.468 1.00 0.00 C ATOM 871 O ILE B 76 2.263 -3.027 -23.824 1.00 0.00 O ATOM 872 CB ILE B 76 4.534 -5.309 -24.590 1.00 0.00 C ATOM 873 CG1 ILE B 76 5.998 -5.738 -24.469 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.314 -4.510 -25.865 1.00 0.00 C ATOM 875 CD1 ILE B 76 6.971 -4.579 -24.488 1.00 0.00 C ATOM 0 H ILE B 76 4.858 -6.095 -22.245 1.00 0.00 H new ATOM 0 HA ILE B 76 4.693 -3.559 -23.339 1.00 0.00 H new ATOM 0 HB ILE B 76 3.915 -6.205 -24.635 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.129 -6.297 -23.542 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.238 -6.417 -25.287 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.615 -5.108 -26.725 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.259 -4.251 -25.954 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.910 -3.598 -25.830 1.00 0.00 H new ATOM 0 HD11 ILE B 76 7.989 -4.957 -24.398 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.868 -4.033 -25.426 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.757 -3.911 -23.654 1.00 0.00 H new ATOM 887 N ILE B 77 1.786 -5.123 -23.157 1.00 0.00 N ATOM 888 CA ILE B 77 0.342 -4.930 -23.216 1.00 0.00 C ATOM 889 C ILE B 77 -0.115 -3.887 -22.202 1.00 0.00 C ATOM 890 O ILE B 77 -0.845 -2.955 -22.541 1.00 0.00 O ATOM 891 CB ILE B 77 -0.413 -6.247 -22.958 1.00 0.00 C ATOM 892 CG1 ILE B 77 -0.103 -7.263 -24.059 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.910 -5.991 -22.871 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.711 -6.907 -25.398 1.00 0.00 C ATOM 0 H ILE B 77 2.075 -6.055 -22.862 1.00 0.00 H new ATOM 0 HA ILE B 77 0.111 -4.580 -24.222 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.079 -6.659 -22.006 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.978 -7.347 -24.171 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.469 -8.243 -23.752 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.430 -6.931 -22.688 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.114 -5.299 -22.054 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.260 -5.559 -23.808 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.450 -7.671 -26.131 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.795 -6.851 -25.302 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.326 -5.942 -25.727 1.00 0.00 H new ATOM 906 N PHE B 78 0.320 -4.050 -20.957 1.00 0.00 N ATOM 907 CA PHE B 78 -0.044 -3.122 -19.893 1.00 0.00 C ATOM 908 C PHE B 78 0.307 -1.688 -20.278 1.00 0.00 C ATOM 909 O PHE B 78 -0.514 -0.781 -20.153 1.00 0.00 O ATOM 910 CB PHE B 78 0.667 -3.501 -18.592 1.00 0.00 C ATOM 911 CG PHE B 78 0.533 -2.465 -17.512 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.545 -2.487 -16.642 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.486 -1.470 -17.367 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.670 -1.535 -15.649 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.366 -0.515 -16.375 1.00 0.00 C ATOM 916 CZ PHE B 78 0.287 -0.548 -15.514 1.00 0.00 C ATOM 0 H PHE B 78 0.925 -4.816 -20.660 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.122 -3.186 -19.742 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.264 -4.447 -18.229 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.725 -3.664 -18.799 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.296 -3.257 -16.741 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.333 -1.440 -18.037 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.516 -1.562 -14.978 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.115 0.256 -16.273 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.192 0.196 -14.737 1.00 0.00 H new ATOM 926 N GLY B 79 1.536 -1.491 -20.748 1.00 0.00 N ATOM 927 CA GLY B 79 1.975 -0.166 -21.144 1.00 0.00 C ATOM 928 C GLY B 79 1.065 0.461 -22.182 1.00 0.00 C ATOM 929 O GLY B 79 0.562 1.568 -21.990 1.00 0.00 O ATOM 0 H GLY B 79 2.235 -2.226 -20.861 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.016 0.477 -20.265 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.988 -0.226 -21.542 1.00 0.00 H new ATOM 933 N VAL B 80 0.854 -0.248 -23.287 1.00 0.00 N ATOM 934 CA VAL B 80 0.000 0.246 -24.360 1.00 0.00 C ATOM 935 C VAL B 80 -1.431 0.450 -23.873 1.00 0.00 C ATOM 936 O VAL B 80 -2.122 1.367 -24.315 1.00 0.00 O ATOM 937 CB VAL B 80 -0.011 -0.721 -25.559 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.836 -0.147 -26.700 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.410 -1.020 -26.014 1.00 0.00 C ATOM 0 H VAL B 80 1.263 -1.166 -23.462 1.00 0.00 H new ATOM 0 HA VAL B 80 0.413 1.203 -24.678 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.472 -1.657 -25.245 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.832 -0.844 -27.538 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.861 0.011 -26.364 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.407 0.804 -27.017 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.384 -1.705 -26.862 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.900 -0.093 -26.311 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.966 -1.477 -25.195 1.00 0.00 H new ATOM 949 N MET B 81 -1.868 -0.411 -22.959 1.00 0.00 N ATOM 950 CA MET B 81 -3.216 -0.324 -22.411 1.00 0.00 C ATOM 951 C MET B 81 -3.391 0.956 -21.599 1.00 0.00 C ATOM 952 O MET B 81 -4.380 1.671 -21.757 1.00 0.00 O ATOM 953 CB MET B 81 -3.513 -1.542 -21.534 1.00 0.00 C ATOM 954 CG MET B 81 -3.830 -2.799 -22.328 1.00 0.00 C ATOM 955 SD MET B 81 -5.524 -2.821 -22.946 1.00 0.00 S ATOM 956 CE MET B 81 -6.318 -3.857 -21.719 1.00 0.00 C ATOM 0 H MET B 81 -1.308 -1.176 -22.583 1.00 0.00 H new ATOM 0 HA MET B 81 -3.919 -0.305 -23.244 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.654 -1.735 -20.891 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.355 -1.313 -20.881 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.140 -2.877 -23.168 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.666 -3.673 -21.698 1.00 0.00 H new ATOM 0 HE1 MET B 81 -7.375 -3.966 -21.964 1.00 0.00 H new ATOM 0 HE2 MET B 81 -5.844 -4.839 -21.710 1.00 0.00 H new ATOM 0 HE3 MET B 81 -6.219 -3.397 -20.736 1.00 0.00 H new ATOM 966 N ALA B 82 -2.425 1.238 -20.731 1.00 0.00 N ATOM 967 CA ALA B 82 -2.472 2.432 -19.897 1.00 0.00 C ATOM 968 C ALA B 82 -2.366 3.697 -20.743 1.00 0.00 C ATOM 969 O ALA B 82 -3.116 4.652 -20.546 1.00 0.00 O ATOM 970 CB ALA B 82 -1.361 2.394 -18.858 1.00 0.00 C ATOM 0 H ALA B 82 -1.600 0.655 -20.587 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.433 2.449 -19.384 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.408 3.292 -18.242 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.483 1.514 -18.227 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.395 2.349 -19.360 1.00 0.00 H new ATOM 976 N GLY B 83 -1.428 3.697 -21.685 1.00 0.00 N ATOM 977 CA GLY B 83 -1.240 4.850 -22.545 1.00 0.00 C ATOM 978 C GLY B 83 -2.464 5.150 -23.388 1.00 0.00 C ATOM 979 O GLY B 83 -2.954 6.279 -23.404 1.00 0.00 O ATOM 0 H GLY B 83 -0.795 2.919 -21.868 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.001 5.720 -21.934 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.386 4.676 -23.199 1.00 0.00 H new ATOM 983 N VAL B 84 -2.959 4.136 -24.091 1.00 0.00 N ATOM 984 CA VAL B 84 -4.133 4.297 -24.941 1.00 0.00 C ATOM 985 C VAL B 84 -5.300 4.889 -24.159 1.00 0.00 C ATOM 986 O VAL B 84 -5.824 5.946 -24.513 1.00 0.00 O ATOM 987 CB VAL B 84 -4.570 2.953 -25.554 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.939 3.082 -26.203 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.538 2.466 -26.560 1.00 0.00 C ATOM 0 H VAL B 84 -2.566 3.195 -24.089 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.852 4.980 -25.743 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.641 2.215 -24.755 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.231 2.123 -26.630 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.670 3.383 -25.453 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.898 3.833 -26.992 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.863 1.515 -26.983 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.432 3.201 -27.358 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.578 2.332 -26.061 1.00 0.00 H new ATOM 999 N ILE B 85 -5.702 4.202 -23.095 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.806 4.662 -22.262 1.00 0.00 C ATOM 1001 C ILE B 85 -6.556 6.076 -21.749 1.00 0.00 C ATOM 1002 O ILE B 85 -7.467 6.901 -21.702 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.034 3.725 -21.061 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.384 2.316 -21.545 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.134 4.271 -20.164 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.699 2.242 -22.289 1.00 0.00 C ATOM 0 H ILE B 85 -5.280 3.325 -22.790 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.697 4.658 -22.890 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.113 3.672 -20.481 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.587 1.956 -22.195 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.423 1.645 -20.687 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.283 3.598 -19.320 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.848 5.256 -19.796 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.061 4.351 -20.732 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.882 1.214 -22.602 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.506 2.572 -21.635 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.657 2.887 -23.167 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.312 6.350 -21.366 1.00 0.00 N ATOM 1019 CA GLY B 86 -4.964 7.665 -20.863 1.00 0.00 C ATOM 1020 C GLY B 86 -5.230 8.762 -21.874 1.00 0.00 C ATOM 1021 O GLY B 86 -5.901 9.749 -21.570 1.00 0.00 O ATOM 0 H GLY B 86 -4.540 5.684 -21.395 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.533 7.866 -19.956 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -3.910 7.678 -20.587 1.00 0.00 H new ATOM 1025 N THR B 87 -4.702 8.592 -23.082 1.00 0.00 N ATOM 1026 CA THR B 87 -4.884 9.577 -24.141 1.00 0.00 C ATOM 1027 C THR B 87 -6.363 9.823 -24.415 1.00 0.00 C ATOM 1028 O THR B 87 -6.792 10.966 -24.576 1.00 0.00 O ATOM 1029 CB THR B 87 -4.200 9.130 -25.447 1.00 0.00 C ATOM 1030 OG1 THR B 87 -2.943 8.510 -25.154 1.00 0.00 O ATOM 1031 CG2 THR B 87 -3.983 10.315 -26.377 1.00 0.00 C ATOM 0 H THR B 87 -4.145 7.781 -23.351 1.00 0.00 H new ATOM 0 HA THR B 87 -4.422 10.502 -23.795 1.00 0.00 H new ATOM 0 HB THR B 87 -4.851 8.412 -25.945 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.516 8.975 -24.405 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.499 9.975 -27.292 1.00 0.00 H new ATOM 0 HG22 THR B 87 -4.944 10.767 -26.621 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.350 11.053 -25.884 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.139 8.745 -24.466 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.571 8.846 -24.718 1.00 0.00 C ATOM 1041 C ILE B 88 -9.242 9.773 -23.712 1.00 0.00 C ATOM 1042 O ILE B 88 -9.968 10.695 -24.088 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.251 7.465 -24.661 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.636 6.526 -25.701 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.749 7.603 -24.884 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.807 5.060 -25.367 1.00 0.00 C ATOM 0 H ILE B 88 -6.800 7.792 -24.336 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.687 9.258 -25.721 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.089 7.037 -23.672 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.090 6.725 -26.672 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.573 6.747 -25.795 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.215 6.619 -24.841 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.175 8.241 -24.109 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -10.932 8.049 -25.862 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.347 4.453 -26.147 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.328 4.846 -24.411 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.869 4.823 -25.302 1.00 0.00 H new ATOM 1058 N LEU B 89 -8.995 9.525 -22.430 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.575 10.339 -21.367 1.00 0.00 C ATOM 1060 C LEU B 89 -9.213 11.809 -21.550 1.00 0.00 C ATOM 1061 O LEU B 89 -10.088 12.677 -21.573 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.091 9.849 -20.001 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.734 8.561 -19.485 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -8.776 7.817 -18.568 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.037 8.868 -18.761 1.00 0.00 C ATOM 0 H LEU B 89 -8.397 8.767 -22.102 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.659 10.241 -21.418 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.013 9.698 -20.052 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.268 10.638 -19.270 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.958 7.922 -20.339 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.250 6.903 -18.210 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -7.869 7.564 -19.117 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.521 8.450 -17.718 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.480 7.940 -18.401 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -10.837 9.527 -17.916 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.728 9.358 -19.447 1.00 0.00 H new ATOM 1077 N LEU B 90 -7.920 12.084 -21.680 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.442 13.450 -21.863 1.00 0.00 C ATOM 1079 C LEU B 90 -8.078 14.089 -23.093 1.00 0.00 C ATOM 1080 O LEU B 90 -8.615 15.195 -23.022 1.00 0.00 O ATOM 1081 CB LEU B 90 -5.918 13.464 -21.997 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.139 12.792 -20.866 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -3.783 12.315 -21.362 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -4.973 13.746 -19.692 1.00 0.00 C ATOM 0 H LEU B 90 -7.183 11.379 -21.662 1.00 0.00 H new ATOM 0 HA LEU B 90 -7.729 14.030 -20.986 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.651 12.977 -22.935 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.589 14.501 -22.072 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.705 11.925 -20.527 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.243 11.839 -20.543 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -3.923 11.597 -22.170 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.210 13.166 -21.729 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.416 13.251 -18.897 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.429 14.633 -20.018 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -5.955 14.039 -19.320 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.014 13.385 -24.219 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.587 13.883 -25.463 1.00 0.00 C ATOM 1098 C ILE B 91 -10.070 14.200 -25.298 1.00 0.00 C ATOM 1099 O ILE B 91 -10.530 15.279 -25.673 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.416 12.867 -26.608 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -6.935 12.707 -26.959 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.211 13.305 -27.828 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.634 11.455 -27.754 1.00 0.00 C ATOM 0 H ILE B 91 -7.571 12.469 -24.295 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.048 14.797 -25.714 1.00 0.00 H new ATOM 0 HB ILE B 91 -8.798 11.901 -26.278 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.609 13.577 -27.529 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -6.351 12.692 -26.039 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.080 12.577 -28.628 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.268 13.373 -27.569 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -8.856 14.280 -28.163 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.566 11.407 -27.967 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -6.929 10.578 -27.177 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.190 11.477 -28.691 1.00 0.00 H new ATOM 1115 N SER B 92 -10.812 13.254 -24.733 1.00 0.00 N ATOM 1116 CA SER B 92 -12.244 13.431 -24.519 1.00 0.00 C ATOM 1117 C SER B 92 -12.521 14.700 -23.719 1.00 0.00 C ATOM 1118 O SER B 92 -13.577 15.317 -23.858 1.00 0.00 O ATOM 1119 CB SER B 92 -12.826 12.218 -23.792 1.00 0.00 C ATOM 1120 OG SER B 92 -13.986 12.572 -23.058 1.00 0.00 O ATOM 0 H SER B 92 -10.446 12.357 -24.415 1.00 0.00 H new ATOM 0 HA SER B 92 -12.723 13.525 -25.493 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.072 11.440 -24.515 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.078 11.801 -23.118 1.00 0.00 H new ATOM 0 HG SER B 92 -14.340 11.779 -22.604 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.564 15.083 -22.880 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.705 16.276 -22.054 1.00 0.00 C ATOM 1128 C TYR B 93 -11.566 17.541 -22.897 1.00 0.00 C ATOM 1129 O TYR B 93 -12.252 18.535 -22.663 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.659 16.276 -20.939 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.039 17.132 -19.752 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.222 16.907 -19.059 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.215 18.164 -19.322 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.574 17.687 -17.974 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -10.558 18.949 -18.238 1.00 0.00 C ATOM 1136 CZ TYR B 93 -11.739 18.706 -17.568 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.085 19.485 -16.487 1.00 0.00 O ATOM 0 H TYR B 93 -10.683 14.585 -22.754 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.700 16.264 -21.609 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.500 15.252 -20.602 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -9.710 16.630 -21.342 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -12.878 16.109 -19.374 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -9.289 18.356 -19.844 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.498 17.499 -17.447 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -9.906 19.748 -17.917 1.00 0.00 H new ATOM 0 HH TYR B 93 -11.389 20.157 -16.332 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.671 17.494 -23.880 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.458 18.641 -24.743 1.00 0.00 C ATOM 1149 C GLY B 94 -11.679 18.975 -25.576 1.00 0.00 C ATOM 1150 O GLY B 94 -11.980 20.147 -25.805 1.00 0.00 O ATOM 0 H GLY B 94 -10.091 16.683 -24.093 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.190 19.505 -24.134 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.614 18.443 -25.404 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.384 17.945 -26.031 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.579 18.136 -26.843 1.00 0.00 C ATOM 1156 C ILE B 95 -14.685 18.814 -26.042 1.00 0.00 C ATOM 1157 O ILE B 95 -15.493 19.562 -26.592 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.106 16.797 -27.393 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.036 16.115 -28.248 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.375 17.019 -28.201 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -13.290 14.641 -28.472 1.00 0.00 C ATOM 0 H ILE B 95 -12.148 16.969 -25.851 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.294 18.776 -27.678 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.343 16.144 -26.553 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.980 16.617 -29.214 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -12.065 16.239 -27.768 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -15.735 16.064 -28.583 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.138 17.466 -27.564 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.163 17.687 -29.036 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.492 14.223 -29.086 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.316 14.126 -27.512 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -14.245 14.510 -28.980 1.00 0.00 H new ATOM 1173 N ARG B 96 -14.713 18.549 -24.740 1.00 0.00 N ATOM 1174 CA ARG B 96 -15.720 19.135 -23.863 1.00 0.00 C ATOM 1175 C ARG B 96 -15.416 20.606 -23.593 1.00 0.00 C ATOM 1176 O ARG B 96 -16.320 21.398 -23.330 1.00 0.00 O ATOM 1177 CB ARG B 96 -15.786 18.366 -22.542 1.00 0.00 C ATOM 1178 CG ARG B 96 -16.938 17.377 -22.470 1.00 0.00 C ATOM 1179 CD ARG B 96 -16.707 16.332 -21.390 1.00 0.00 C ATOM 1180 NE ARG B 96 -17.957 15.724 -20.941 1.00 0.00 N ATOM 1181 CZ ARG B 96 -18.855 16.357 -20.194 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -18.642 17.609 -19.814 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -19.969 15.737 -19.825 1.00 0.00 N ATOM 0 H ARG B 96 -14.050 17.933 -24.269 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.686 19.067 -24.364 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -14.848 17.830 -22.396 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.877 19.077 -21.721 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -17.866 17.912 -22.268 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.057 16.885 -23.435 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -16.043 15.556 -21.772 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -16.203 16.793 -20.541 1.00 0.00 H new ATOM 0 HE ARG B 96 -18.151 14.761 -21.216 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -17.787 18.089 -20.095 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -19.333 18.093 -19.241 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -20.136 14.774 -20.115 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -20.658 16.224 -19.251 1.00 0.00 H new