USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 302 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -120:sc= -0.859 (180deg=-2.85!) 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 -30:sc= -1.05 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 11.962 -0.781 -17.950 1.00 0.00 N ATOM 197 CA ILE A 73 11.421 0.559 -18.137 1.00 0.00 C ATOM 198 C ILE A 73 11.213 0.867 -19.616 1.00 0.00 C ATOM 199 O ILE A 73 10.141 1.316 -20.023 1.00 0.00 O ATOM 200 CB ILE A 73 12.346 1.629 -17.527 1.00 0.00 C ATOM 201 CG1 ILE A 73 12.549 1.368 -16.033 1.00 0.00 C ATOM 202 CG2 ILE A 73 11.768 3.019 -17.753 1.00 0.00 C ATOM 203 CD1 ILE A 73 13.522 2.323 -15.379 1.00 0.00 C ATOM 0 HA ILE A 73 10.459 0.585 -17.624 1.00 0.00 H new ATOM 0 HB ILE A 73 13.316 1.574 -18.021 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.587 1.439 -15.526 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.907 0.348 -15.896 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.432 3.765 -17.317 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.670 3.203 -18.823 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.788 3.086 -17.282 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.616 2.078 -14.321 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.496 2.236 -15.860 1.00 0.00 H new ATOM 0 HD13 ILE A 73 13.156 3.344 -15.484 1.00 0.00 H new ATOM 215 N THR A 74 12.244 0.620 -20.417 1.00 0.00 N ATOM 216 CA THR A 74 12.175 0.870 -21.851 1.00 0.00 C ATOM 217 C THR A 74 10.924 0.245 -22.458 1.00 0.00 C ATOM 218 O THR A 74 10.168 0.908 -23.169 1.00 0.00 O ATOM 219 CB THR A 74 13.415 0.318 -22.579 1.00 0.00 C ATOM 220 OG1 THR A 74 14.607 0.845 -21.984 1.00 0.00 O ATOM 221 CG2 THR A 74 13.380 0.676 -24.057 1.00 0.00 C ATOM 0 H THR A 74 13.138 0.247 -20.097 1.00 0.00 H new ATOM 0 HA THR A 74 12.138 1.952 -21.981 1.00 0.00 H new ATOM 0 HB THR A 74 13.411 -0.768 -22.485 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.391 0.488 -22.451 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.266 0.275 -24.550 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.487 0.250 -24.514 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.362 1.760 -24.168 1.00 0.00 H new ATOM 229 N LEU A 75 10.710 -1.035 -22.174 1.00 0.00 N ATOM 230 CA LEU A 75 9.549 -1.751 -22.691 1.00 0.00 C ATOM 231 C LEU A 75 8.256 -1.036 -22.312 1.00 0.00 C ATOM 232 O LEU A 75 7.401 -0.787 -23.163 1.00 0.00 O ATOM 233 CB LEU A 75 9.529 -3.184 -22.158 1.00 0.00 C ATOM 234 CG LEU A 75 10.734 -4.052 -22.521 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.641 -5.408 -21.837 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.835 -4.220 -24.030 1.00 0.00 C ATOM 0 H LEU A 75 11.326 -1.599 -21.588 1.00 0.00 H new ATOM 0 HA LEU A 75 9.623 -1.777 -23.778 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.449 -3.145 -21.072 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.629 -3.675 -22.527 1.00 0.00 H new ATOM 0 HG LEU A 75 11.637 -3.552 -22.170 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.507 -6.012 -22.107 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.618 -5.269 -20.756 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.731 -5.915 -22.157 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.698 -4.841 -24.270 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.930 -4.698 -24.404 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.950 -3.242 -24.498 1.00 0.00 H new ATOM 248 N ILE A 76 8.121 -0.709 -21.032 1.00 0.00 N ATOM 249 CA ILE A 76 6.933 -0.020 -20.541 1.00 0.00 C ATOM 250 C ILE A 76 6.705 1.286 -21.294 1.00 0.00 C ATOM 251 O ILE A 76 5.584 1.591 -21.703 1.00 0.00 O ATOM 252 CB ILE A 76 7.039 0.280 -19.034 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.301 -1.009 -18.252 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.771 0.958 -18.539 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.135 -1.972 -18.267 1.00 0.00 C ATOM 0 H ILE A 76 8.819 -0.910 -20.316 1.00 0.00 H new ATOM 0 HA ILE A 76 6.088 -0.687 -20.711 1.00 0.00 H new ATOM 0 HB ILE A 76 7.877 0.958 -18.871 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.177 -1.506 -18.669 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.539 -0.756 -17.219 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.861 1.164 -17.472 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.625 1.894 -19.078 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.917 0.303 -18.711 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.391 -2.863 -17.693 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.262 -1.493 -17.823 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.910 -2.255 -19.295 1.00 0.00 H new ATOM 267 N ILE A 77 7.775 2.053 -21.475 1.00 0.00 N ATOM 268 CA ILE A 77 7.692 3.325 -22.181 1.00 0.00 C ATOM 269 C ILE A 77 7.278 3.121 -23.635 1.00 0.00 C ATOM 270 O ILE A 77 6.358 3.774 -24.127 1.00 0.00 O ATOM 271 CB ILE A 77 9.034 4.080 -22.142 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.389 4.459 -20.703 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.970 5.319 -23.023 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.484 5.521 -20.118 1.00 0.00 C ATOM 0 H ILE A 77 8.709 1.815 -21.142 1.00 0.00 H new ATOM 0 HA ILE A 77 6.935 3.920 -21.670 1.00 0.00 H new ATOM 0 HB ILE A 77 9.815 3.425 -22.528 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.340 3.567 -20.078 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.419 4.814 -20.673 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.926 5.842 -22.985 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.758 5.024 -24.051 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.180 5.980 -22.665 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.794 5.740 -19.096 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.550 6.427 -20.720 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.455 5.161 -20.116 1.00 0.00 H new ATOM 286 N PHE A 78 7.963 2.208 -24.316 1.00 0.00 N ATOM 287 CA PHE A 78 7.666 1.916 -25.714 1.00 0.00 C ATOM 288 C PHE A 78 6.193 1.564 -25.895 1.00 0.00 C ATOM 289 O PHE A 78 5.525 2.084 -26.789 1.00 0.00 O ATOM 290 CB PHE A 78 8.542 0.765 -26.213 1.00 0.00 C ATOM 291 CG PHE A 78 8.236 0.347 -27.623 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.795 1.020 -28.697 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.389 -0.721 -27.874 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.513 0.637 -29.995 1.00 0.00 C ATOM 295 CE2 PHE A 78 7.104 -1.108 -29.169 1.00 0.00 C ATOM 296 CZ PHE A 78 7.668 -0.429 -30.231 1.00 0.00 C ATOM 0 H PHE A 78 8.727 1.658 -23.923 1.00 0.00 H new ATOM 0 HA PHE A 78 7.882 2.809 -26.300 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.589 1.062 -26.150 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.413 -0.092 -25.552 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.459 1.853 -28.518 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.947 -1.257 -27.047 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.953 1.171 -30.824 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.441 -1.941 -29.351 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.448 -0.731 -31.244 1.00 0.00 H new ATOM 306 N GLY A 79 5.692 0.677 -25.040 1.00 0.00 N ATOM 307 CA GLY A 79 4.302 0.270 -25.123 1.00 0.00 C ATOM 308 C GLY A 79 3.348 1.444 -25.030 1.00 0.00 C ATOM 309 O GLY A 79 2.487 1.624 -25.892 1.00 0.00 O ATOM 0 H GLY A 79 6.224 0.233 -24.292 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.136 -0.256 -26.063 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.085 -0.435 -24.321 1.00 0.00 H new ATOM 313 N VAL A 80 3.497 2.244 -23.979 1.00 0.00 N ATOM 314 CA VAL A 80 2.641 3.407 -23.775 1.00 0.00 C ATOM 315 C VAL A 80 2.806 4.416 -24.906 1.00 0.00 C ATOM 316 O VAL A 80 1.852 5.090 -25.294 1.00 0.00 O ATOM 317 CB VAL A 80 2.947 4.101 -22.434 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.984 5.255 -22.199 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.882 3.100 -21.290 1.00 0.00 C ATOM 0 H VAL A 80 4.203 2.108 -23.255 1.00 0.00 H new ATOM 0 HA VAL A 80 1.613 3.045 -23.762 1.00 0.00 H new ATOM 0 HB VAL A 80 3.958 4.506 -22.476 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.215 5.734 -21.247 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.084 5.982 -23.005 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.962 4.877 -22.176 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.101 3.607 -20.350 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.884 2.665 -21.244 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.615 2.310 -21.455 1.00 0.00 H new ATOM 329 N MET A 81 4.023 4.514 -25.432 1.00 0.00 N ATOM 330 CA MET A 81 4.312 5.440 -26.520 1.00 0.00 C ATOM 331 C MET A 81 3.568 5.036 -27.790 1.00 0.00 C ATOM 332 O MET A 81 2.941 5.869 -28.444 1.00 0.00 O ATOM 333 CB MET A 81 5.817 5.488 -26.791 1.00 0.00 C ATOM 334 CG MET A 81 6.590 6.316 -25.777 1.00 0.00 C ATOM 335 SD MET A 81 6.384 8.089 -26.026 1.00 0.00 S ATOM 336 CE MET A 81 5.009 8.428 -24.930 1.00 0.00 C ATOM 0 H MET A 81 4.824 3.964 -25.122 1.00 0.00 H new ATOM 0 HA MET A 81 3.972 6.431 -26.220 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.210 4.471 -26.793 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.986 5.897 -27.787 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.260 6.053 -24.772 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.649 6.065 -25.840 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.177 8.833 -25.505 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.697 7.505 -24.441 1.00 0.00 H new ATOM 0 HE3 MET A 81 5.315 9.152 -24.175 1.00 0.00 H new ATOM 346 N ALA A 82 3.643 3.754 -28.132 1.00 0.00 N ATOM 347 CA ALA A 82 2.976 3.241 -29.321 1.00 0.00 C ATOM 348 C ALA A 82 1.460 3.328 -29.181 1.00 0.00 C ATOM 349 O ALA A 82 0.764 3.741 -30.107 1.00 0.00 O ATOM 350 CB ALA A 82 3.401 1.804 -29.587 1.00 0.00 C ATOM 0 H ALA A 82 4.159 3.052 -27.602 1.00 0.00 H new ATOM 0 HA ALA A 82 3.273 3.859 -30.168 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.895 1.434 -30.478 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.480 1.766 -29.740 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.134 1.182 -28.733 1.00 0.00 H new ATOM 356 N GLY A 83 0.954 2.935 -28.016 1.00 0.00 N ATOM 357 CA GLY A 83 -0.477 2.977 -27.776 1.00 0.00 C ATOM 358 C GLY A 83 -1.032 4.386 -27.826 1.00 0.00 C ATOM 359 O GLY A 83 -1.999 4.655 -28.539 1.00 0.00 O ATOM 0 H GLY A 83 1.509 2.588 -27.234 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.985 2.363 -28.520 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.692 2.540 -26.801 1.00 0.00 H new ATOM 363 N VAL A 84 -0.421 5.289 -27.065 1.00 0.00 N ATOM 364 CA VAL A 84 -0.861 6.678 -27.025 1.00 0.00 C ATOM 365 C VAL A 84 -0.935 7.272 -28.427 1.00 0.00 C ATOM 366 O VAL A 84 -1.988 7.741 -28.860 1.00 0.00 O ATOM 367 CB VAL A 84 0.080 7.540 -26.163 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.214 9.019 -26.366 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.044 7.160 -24.696 1.00 0.00 C ATOM 0 H VAL A 84 0.380 5.083 -26.468 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.856 6.682 -26.579 1.00 0.00 H new ATOM 0 HB VAL A 84 1.106 7.352 -26.478 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.461 9.612 -25.749 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.069 9.278 -27.415 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.245 9.228 -26.080 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.628 7.779 -24.102 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.070 7.317 -24.365 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.221 6.111 -24.568 1.00 0.00 H new ATOM 816 N ILE B 73 6.578 -9.433 -22.674 1.00 0.00 N ATOM 817 CA ILE B 73 5.313 -9.263 -23.377 1.00 0.00 C ATOM 818 C ILE B 73 4.307 -8.501 -22.521 1.00 0.00 C ATOM 819 O ILE B 73 3.714 -7.517 -22.966 1.00 0.00 O ATOM 820 CB ILE B 73 4.705 -10.621 -23.777 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.717 -11.440 -24.580 1.00 0.00 C ATOM 822 CG2 ILE B 73 3.428 -10.414 -24.577 1.00 0.00 C ATOM 823 CD1 ILE B 73 6.244 -12.647 -23.836 1.00 0.00 C ATOM 0 HA ILE B 73 5.527 -8.690 -24.279 1.00 0.00 H new ATOM 0 HB ILE B 73 4.457 -11.173 -22.871 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.250 -11.771 -25.508 1.00 0.00 H new ATOM 0 HG13 ILE B 73 6.554 -10.799 -24.855 1.00 0.00 H new ATOM 0 HG21 ILE B 73 3.010 -11.382 -24.852 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.705 -9.865 -23.973 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.652 -9.846 -25.480 1.00 0.00 H new ATOM 0 HD11 ILE B 73 6.956 -13.180 -24.466 1.00 0.00 H new ATOM 0 HD12 ILE B 73 6.740 -12.323 -22.921 1.00 0.00 H new ATOM 0 HD13 ILE B 73 5.416 -13.309 -23.584 1.00 0.00 H new ATOM 835 N THR B 74 4.118 -8.961 -21.288 1.00 0.00 N ATOM 836 CA THR B 74 3.185 -8.322 -20.368 1.00 0.00 C ATOM 837 C THR B 74 3.414 -6.816 -20.310 1.00 0.00 C ATOM 838 O THR B 74 2.474 -6.030 -20.435 1.00 0.00 O ATOM 839 CB THR B 74 3.309 -8.904 -18.947 1.00 0.00 C ATOM 840 OG1 THR B 74 3.039 -10.310 -18.968 1.00 0.00 O ATOM 841 CG2 THR B 74 2.348 -8.212 -17.993 1.00 0.00 C ATOM 0 H THR B 74 4.599 -9.774 -20.903 1.00 0.00 H new ATOM 0 HA THR B 74 2.182 -8.520 -20.747 1.00 0.00 H new ATOM 0 HB THR B 74 4.327 -8.735 -18.597 1.00 0.00 H new ATOM 0 HG1 THR B 74 3.122 -10.673 -18.061 1.00 0.00 H new ATOM 0 HG21 THR B 74 2.454 -8.640 -16.996 1.00 0.00 H new ATOM 0 HG22 THR B 74 2.575 -7.147 -17.957 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.325 -8.353 -18.342 1.00 0.00 H new ATOM 849 N LEU B 75 4.667 -6.420 -20.120 1.00 0.00 N ATOM 850 CA LEU B 75 5.020 -5.006 -20.046 1.00 0.00 C ATOM 851 C LEU B 75 4.556 -4.264 -21.295 1.00 0.00 C ATOM 852 O LEU B 75 3.922 -3.212 -21.204 1.00 0.00 O ATOM 853 CB LEU B 75 6.531 -4.846 -19.875 1.00 0.00 C ATOM 854 CG LEU B 75 7.082 -5.127 -18.476 1.00 0.00 C ATOM 855 CD1 LEU B 75 7.290 -6.620 -18.275 1.00 0.00 C ATOM 856 CD2 LEU B 75 8.383 -4.370 -18.253 1.00 0.00 C ATOM 0 H LEU B 75 5.456 -7.058 -20.014 1.00 0.00 H new ATOM 0 HA LEU B 75 4.516 -4.575 -19.181 1.00 0.00 H new ATOM 0 HB2 LEU B 75 7.029 -5.512 -20.580 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.802 -3.827 -20.153 1.00 0.00 H new ATOM 0 HG LEU B 75 6.354 -4.780 -17.743 1.00 0.00 H new ATOM 0 HD11 LEU B 75 7.682 -6.801 -17.274 1.00 0.00 H new ATOM 0 HD12 LEU B 75 6.338 -7.139 -18.391 1.00 0.00 H new ATOM 0 HD13 LEU B 75 7.999 -6.992 -19.015 1.00 0.00 H new ATOM 0 HD21 LEU B 75 8.760 -4.582 -17.253 1.00 0.00 H new ATOM 0 HD22 LEU B 75 9.119 -4.685 -18.993 1.00 0.00 H new ATOM 0 HD23 LEU B 75 8.203 -3.300 -18.354 1.00 0.00 H new ATOM 868 N ILE B 76 4.876 -4.818 -22.459 1.00 0.00 N ATOM 869 CA ILE B 76 4.489 -4.209 -23.726 1.00 0.00 C ATOM 870 C ILE B 76 2.981 -3.998 -23.797 1.00 0.00 C ATOM 871 O ILE B 76 2.511 -2.930 -24.189 1.00 0.00 O ATOM 872 CB ILE B 76 4.932 -5.071 -24.923 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.421 -5.409 -24.814 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.642 -4.351 -26.231 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.310 -4.190 -24.706 1.00 0.00 C ATOM 0 H ILE B 76 5.402 -5.687 -22.552 1.00 0.00 H new ATOM 0 HA ILE B 76 4.991 -3.243 -23.778 1.00 0.00 H new ATOM 0 HB ILE B 76 4.365 -6.002 -24.910 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.579 -6.042 -23.941 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.719 -5.990 -25.687 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.961 -4.973 -27.067 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.572 -4.157 -26.310 1.00 0.00 H new ATOM 0 HG23 ILE B 76 5.185 -3.406 -26.254 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.351 -4.504 -24.632 1.00 0.00 H new ATOM 0 HD12 ILE B 76 7.181 -3.566 -25.591 1.00 0.00 H new ATOM 0 HD13 ILE B 76 7.039 -3.620 -23.817 1.00 0.00 H new ATOM 887 N ILE B 77 2.227 -5.023 -23.413 1.00 0.00 N ATOM 888 CA ILE B 77 0.771 -4.948 -23.430 1.00 0.00 C ATOM 889 C ILE B 77 0.263 -3.912 -22.433 1.00 0.00 C ATOM 890 O ILE B 77 -0.541 -3.045 -22.777 1.00 0.00 O ATOM 891 CB ILE B 77 0.134 -6.312 -23.106 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.486 -7.334 -24.189 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.375 -6.173 -22.972 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.185 -7.062 -25.517 1.00 0.00 C ATOM 0 H ILE B 77 2.600 -5.914 -23.087 1.00 0.00 H new ATOM 0 HA ILE B 77 0.481 -4.651 -24.438 1.00 0.00 H new ATOM 0 HB ILE B 77 0.533 -6.666 -22.155 1.00 0.00 H new ATOM 0 HG12 ILE B 77 1.567 -7.342 -24.332 1.00 0.00 H new ATOM 0 HG13 ILE B 77 0.202 -8.329 -23.845 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -1.811 -7.145 -22.743 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -1.606 -5.473 -22.169 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -1.791 -5.800 -23.908 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.110 -7.826 -26.237 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.267 -7.083 -25.389 1.00 0.00 H new ATOM 0 HD13 ILE B 77 0.118 -6.081 -25.884 1.00 0.00 H new ATOM 906 N PHE B 78 0.737 -4.008 -21.195 1.00 0.00 N ATOM 907 CA PHE B 78 0.331 -3.079 -20.147 1.00 0.00 C ATOM 908 C PHE B 78 0.577 -1.635 -20.575 1.00 0.00 C ATOM 909 O PHE B 78 -0.304 -0.784 -20.462 1.00 0.00 O ATOM 910 CB PHE B 78 1.089 -3.375 -18.851 1.00 0.00 C ATOM 911 CG PHE B 78 0.840 -2.366 -17.767 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.326 -2.408 -17.018 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.771 -1.377 -17.495 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.558 -1.481 -16.020 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.544 -0.447 -16.498 1.00 0.00 C ATOM 916 CZ PHE B 78 0.378 -0.500 -15.759 1.00 0.00 C ATOM 0 H PHE B 78 1.402 -4.720 -20.893 1.00 0.00 H new ATOM 0 HA PHE B 78 -0.737 -3.211 -19.973 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.803 -4.363 -18.490 1.00 0.00 H new ATOM 0 HB3 PHE B 78 2.157 -3.411 -19.064 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.061 -3.174 -17.217 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.685 -1.332 -18.069 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.471 -1.524 -15.444 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.277 0.320 -16.297 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.199 0.225 -14.978 1.00 0.00 H new ATOM 926 N GLY B 79 1.783 -1.367 -21.066 1.00 0.00 N ATOM 927 CA GLY B 79 2.125 -0.025 -21.503 1.00 0.00 C ATOM 928 C GLY B 79 1.150 0.516 -22.530 1.00 0.00 C ATOM 929 O GLY B 79 0.580 1.592 -22.349 1.00 0.00 O ATOM 0 H GLY B 79 2.529 -2.055 -21.169 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.146 0.641 -20.640 1.00 0.00 H new ATOM 0 HA3 GLY B 79 3.129 -0.029 -21.927 1.00 0.00 H new ATOM 933 N VAL B 80 0.959 -0.231 -23.613 1.00 0.00 N ATOM 934 CA VAL B 80 0.047 0.181 -24.674 1.00 0.00 C ATOM 935 C VAL B 80 -1.380 0.310 -24.152 1.00 0.00 C ATOM 936 O VAL B 80 -2.132 1.184 -24.583 1.00 0.00 O ATOM 937 CB VAL B 80 0.064 -0.817 -25.847 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.841 -0.336 -26.971 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.486 -1.025 -26.348 1.00 0.00 C ATOM 0 H VAL B 80 1.423 -1.124 -23.779 1.00 0.00 H new ATOM 0 HA VAL B 80 0.391 1.153 -25.028 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.316 -1.775 -25.492 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.816 -1.054 -27.791 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.862 -0.243 -26.601 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.494 0.634 -27.327 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.480 -1.733 -27.177 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.895 -0.073 -26.687 1.00 0.00 H new ATOM 0 HG23 VAL B 80 2.103 -1.418 -25.540 1.00 0.00 H new ATOM 949 N MET B 81 -1.746 -0.566 -23.222 1.00 0.00 N ATOM 950 CA MET B 81 -3.083 -0.548 -22.640 1.00 0.00 C ATOM 951 C MET B 81 -3.305 0.723 -21.826 1.00 0.00 C ATOM 952 O MET B 81 -4.321 1.399 -21.979 1.00 0.00 O ATOM 953 CB MET B 81 -3.293 -1.778 -21.754 1.00 0.00 C ATOM 954 CG MET B 81 -3.575 -3.050 -22.538 1.00 0.00 C ATOM 955 SD MET B 81 -5.306 -3.199 -23.021 1.00 0.00 S ATOM 956 CE MET B 81 -5.160 -3.194 -24.806 1.00 0.00 C ATOM 0 H MET B 81 -1.136 -1.297 -22.855 1.00 0.00 H new ATOM 0 HA MET B 81 -3.807 -0.567 -23.455 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.406 -1.929 -21.139 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.123 -1.588 -21.074 1.00 0.00 H new ATOM 0 HG2 MET B 81 -2.950 -3.068 -23.431 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.294 -3.914 -21.935 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.151 -3.280 -25.252 1.00 0.00 H new ATOM 0 HE2 MET B 81 -4.695 -2.263 -25.130 1.00 0.00 H new ATOM 0 HE3 MET B 81 -4.545 -4.036 -25.123 1.00 0.00 H new ATOM 966 N ALA B 82 -2.347 1.041 -20.962 1.00 0.00 N ATOM 967 CA ALA B 82 -2.437 2.232 -20.126 1.00 0.00 C ATOM 968 C ALA B 82 -2.383 3.501 -20.970 1.00 0.00 C ATOM 969 O ALA B 82 -3.178 4.420 -20.778 1.00 0.00 O ATOM 970 CB ALA B 82 -1.322 2.236 -19.091 1.00 0.00 C ATOM 0 H ALA B 82 -1.500 0.491 -20.823 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.397 2.211 -19.610 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.402 3.131 -18.474 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.408 1.351 -18.460 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.356 2.229 -19.596 1.00 0.00 H new ATOM 976 N GLY B 83 -1.438 3.544 -21.904 1.00 0.00 N ATOM 977 CA GLY B 83 -1.297 4.706 -22.763 1.00 0.00 C ATOM 978 C GLY B 83 -2.539 4.969 -23.590 1.00 0.00 C ATOM 979 O GLY B 83 -3.053 6.088 -23.613 1.00 0.00 O ATOM 0 H GLY B 83 -0.768 2.796 -22.081 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.079 5.582 -22.152 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.445 4.561 -23.428 1.00 0.00 H new ATOM 983 N VAL B 84 -3.023 3.937 -24.274 1.00 0.00 N ATOM 984 CA VAL B 84 -4.213 4.062 -25.107 1.00 0.00 C ATOM 985 C VAL B 84 -5.388 4.616 -24.309 1.00 0.00 C ATOM 986 O VAL B 84 -5.951 5.655 -24.654 1.00 0.00 O ATOM 987 CB VAL B 84 -4.615 2.707 -25.718 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.021 2.777 -26.295 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.614 2.284 -26.783 1.00 0.00 C ATOM 0 H VAL B 84 -2.609 3.005 -24.268 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.965 4.755 -25.911 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.609 1.956 -24.928 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.287 1.810 -26.722 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.727 3.031 -25.504 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -6.058 3.540 -27.073 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.914 1.324 -27.204 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.585 3.034 -27.574 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.624 2.190 -26.336 1.00 0.00 H new ATOM 999 N ILE B 85 -5.752 3.916 -23.240 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.859 4.339 -22.391 1.00 0.00 C ATOM 1001 C ILE B 85 -6.648 5.760 -21.880 1.00 0.00 C ATOM 1002 O ILE B 85 -7.586 6.554 -21.817 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.038 3.394 -21.188 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.279 1.962 -21.668 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.188 3.866 -20.311 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -7.093 0.922 -20.584 1.00 0.00 C ATOM 0 H ILE B 85 -5.297 3.054 -22.941 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.759 4.306 -23.006 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.124 3.408 -20.594 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -8.292 1.886 -22.064 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -6.598 1.744 -22.491 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.302 3.188 -19.465 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.978 4.871 -19.945 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.109 3.877 -20.894 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -7.280 -0.070 -20.995 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -6.073 0.971 -20.204 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -7.793 1.115 -19.771 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.408 6.076 -21.518 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.096 7.402 -21.019 1.00 0.00 C ATOM 1020 C GLY B 86 -5.421 8.490 -22.023 1.00 0.00 C ATOM 1021 O GLY B 86 -6.123 9.451 -21.705 1.00 0.00 O ATOM 0 H GLY B 86 -4.614 5.437 -21.562 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.654 7.582 -20.100 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.037 7.451 -20.764 1.00 0.00 H new ATOM 1025 N THR B 87 -4.908 8.343 -23.241 1.00 0.00 N ATOM 1026 CA THR B 87 -5.145 9.322 -24.294 1.00 0.00 C ATOM 1027 C THR B 87 -6.637 9.512 -24.542 1.00 0.00 C ATOM 1028 O THR B 87 -7.114 10.639 -24.677 1.00 0.00 O ATOM 1029 CB THR B 87 -4.466 8.905 -25.612 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.172 8.353 -25.344 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.330 10.094 -26.551 1.00 0.00 C ATOM 0 H THR B 87 -4.325 7.554 -23.522 1.00 0.00 H new ATOM 0 HA THR B 87 -4.713 10.263 -23.954 1.00 0.00 H new ATOM 0 HB THR B 87 -5.090 8.151 -26.093 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.800 8.767 -24.537 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.848 9.775 -27.475 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.318 10.494 -26.777 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.726 10.867 -26.075 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.368 8.404 -24.601 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.807 8.450 -24.831 1.00 0.00 C ATOM 1041 C ILE B 88 -9.497 9.354 -23.815 1.00 0.00 C ATOM 1042 O ILE B 88 -10.259 10.250 -24.181 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.433 7.045 -24.761 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.801 6.129 -25.810 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.940 7.127 -24.960 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.919 4.658 -25.478 1.00 0.00 C ATOM 0 H ILE B 88 -6.988 7.464 -24.493 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.954 8.855 -25.832 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.238 6.625 -23.774 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.274 6.314 -26.775 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.747 6.386 -25.917 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.369 6.126 -24.908 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.377 7.750 -24.179 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.155 7.564 -25.935 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.449 4.068 -26.265 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.421 4.458 -24.529 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.972 4.386 -25.400 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.225 9.113 -22.537 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.819 9.907 -21.466 1.00 0.00 C ATOM 1060 C LEU B 89 -9.512 11.389 -21.652 1.00 0.00 C ATOM 1061 O LEU B 89 -10.416 12.225 -21.660 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.300 9.433 -20.107 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.890 8.124 -19.582 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.014 7.547 -18.481 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.309 8.343 -19.077 1.00 0.00 C ATOM 0 H LEU B 89 -8.598 8.375 -22.217 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.900 9.772 -21.503 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.218 9.320 -20.173 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.494 10.216 -19.373 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.924 7.408 -20.403 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.450 6.616 -18.120 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -8.016 7.352 -18.874 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.947 8.259 -17.659 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.713 7.401 -18.707 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.299 9.075 -18.270 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.933 8.710 -19.892 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.231 11.708 -21.803 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.804 13.090 -21.991 1.00 0.00 C ATOM 1079 C LEU B 90 -8.486 13.710 -23.207 1.00 0.00 C ATOM 1080 O LEU B 90 -9.059 14.796 -23.123 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.284 13.157 -22.155 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.461 12.884 -20.896 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.067 12.400 -21.265 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.382 14.133 -20.030 1.00 0.00 C ATOM 0 H LEU B 90 -7.470 11.028 -21.799 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.093 13.657 -21.106 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.989 12.439 -22.920 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -6.022 14.147 -22.529 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.956 12.100 -20.323 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.495 12.211 -20.357 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.143 11.480 -21.844 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.563 13.162 -21.859 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.793 13.921 -19.138 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.910 14.937 -20.594 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.387 14.437 -19.737 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.422 13.011 -24.335 1.00 0.00 N ATOM 1097 CA ILE B 91 -9.036 13.491 -25.567 1.00 0.00 C ATOM 1098 C ILE B 91 -10.514 13.801 -25.359 1.00 0.00 C ATOM 1099 O ILE B 91 -10.998 14.862 -25.754 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.894 12.462 -26.705 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.440 12.389 -27.177 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.815 12.822 -27.861 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.951 13.665 -27.825 1.00 0.00 C ATOM 0 H ILE B 91 -7.951 12.110 -24.421 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.511 14.404 -25.847 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.183 11.481 -26.328 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.801 12.156 -26.325 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.338 11.568 -27.887 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.704 12.086 -28.658 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.848 12.828 -27.514 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.554 13.810 -28.240 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.913 13.541 -28.135 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.566 13.889 -28.697 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.021 14.486 -27.111 1.00 0.00 H new ATOM 1115 N SER B 92 -11.227 12.869 -24.734 1.00 0.00 N ATOM 1116 CA SER B 92 -12.652 13.043 -24.475 1.00 0.00 C ATOM 1117 C SER B 92 -12.911 14.336 -23.709 1.00 0.00 C ATOM 1118 O SER B 92 -13.964 14.957 -23.855 1.00 0.00 O ATOM 1119 CB SER B 92 -13.197 11.851 -23.686 1.00 0.00 C ATOM 1120 OG SER B 92 -14.605 11.756 -23.812 1.00 0.00 O ATOM 0 H SER B 92 -10.842 11.986 -24.398 1.00 0.00 H new ATOM 0 HA SER B 92 -13.166 13.101 -25.434 1.00 0.00 H new ATOM 0 HB2 SER B 92 -12.734 10.932 -24.044 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.929 11.954 -22.634 1.00 0.00 H new ATOM 0 HG SER B 92 -14.928 10.985 -23.300 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.943 14.736 -22.891 1.00 0.00 N ATOM 1127 CA TYR B 93 -12.067 15.954 -22.099 1.00 0.00 C ATOM 1128 C TYR B 93 -11.934 17.192 -22.980 1.00 0.00 C ATOM 1129 O TYR B 93 -12.626 18.189 -22.778 1.00 0.00 O ATOM 1130 CB TYR B 93 -11.005 15.980 -20.998 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.311 16.959 -19.886 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.476 16.849 -19.138 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.433 17.992 -19.584 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.759 17.741 -18.122 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -10.707 18.888 -18.568 1.00 0.00 C ATOM 1136 CZ TYR B 93 -11.871 18.759 -17.841 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.149 19.648 -16.828 1.00 0.00 O ATOM 0 H TYR B 93 -11.065 14.235 -22.759 1.00 0.00 H new ATOM 0 HA TYR B 93 -13.056 15.962 -21.641 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.908 14.980 -20.574 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.041 16.234 -21.440 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -13.173 16.052 -19.354 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -9.521 18.097 -20.153 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.670 17.642 -17.551 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -10.013 19.685 -18.345 1.00 0.00 H new ATOM 0 HH TYR B 93 -11.423 20.302 -16.759 1.00 0.00 H new ATOM 1147 N GLY B 94 -11.038 17.121 -23.959 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.829 18.241 -24.857 1.00 0.00 C ATOM 1149 C GLY B 94 -12.057 18.554 -25.690 1.00 0.00 C ATOM 1150 O GLY B 94 -12.330 19.715 -25.994 1.00 0.00 O ATOM 0 H GLY B 94 -10.453 16.307 -24.146 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.554 19.122 -24.277 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.991 18.021 -25.519 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.798 17.515 -26.061 1.00 0.00 N ATOM 1155 CA ILE B 95 -14.003 17.685 -26.863 1.00 0.00 C ATOM 1156 C ILE B 95 -15.070 18.457 -26.096 1.00 0.00 C ATOM 1157 O ILE B 95 -15.873 19.180 -26.687 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.583 16.327 -27.301 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.560 15.556 -28.137 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.871 16.530 -28.086 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -13.958 14.122 -28.407 1.00 0.00 C ATOM 0 H ILE B 95 -12.585 16.547 -25.819 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.715 18.251 -27.749 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.811 15.742 -26.410 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.418 16.070 -29.088 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -12.599 15.567 -27.622 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.269 15.562 -28.389 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.601 17.043 -27.460 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.666 17.131 -28.972 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -13.186 13.637 -29.005 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -14.072 13.592 -27.461 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -14.903 14.103 -28.950 1.00 0.00 H new ATOM 1173 N ARG B 96 -15.072 18.301 -24.776 1.00 0.00 N ATOM 1174 CA ARG B 96 -16.040 18.985 -23.927 1.00 0.00 C ATOM 1175 C ARG B 96 -15.685 20.462 -23.778 1.00 0.00 C ATOM 1176 O ARG B 96 -16.549 21.332 -23.887 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.100 18.322 -22.550 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.500 18.268 -21.960 1.00 0.00 C ATOM 1179 CD ARG B 96 -17.813 19.516 -21.150 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.961 19.323 -20.268 1.00 0.00 N ATOM 1181 CZ ARG B 96 -18.939 18.543 -19.193 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -17.833 17.887 -18.868 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -20.024 18.419 -18.440 1.00 0.00 N ATOM 0 H ARG B 96 -14.414 17.707 -24.271 1.00 0.00 H new ATOM 0 HA ARG B 96 -17.019 18.911 -24.401 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.708 17.308 -22.627 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.447 18.865 -21.866 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -18.230 18.161 -22.762 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.594 17.388 -21.324 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -16.941 19.790 -20.556 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -18.012 20.347 -21.827 1.00 0.00 H new ATOM 0 HE ARG B 96 -19.827 19.814 -20.490 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -16.996 17.981 -19.444 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -17.819 17.289 -18.042 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -20.876 18.923 -18.686 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -20.006 17.820 -17.615 1.00 0.00 H new