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 -36:sc= -2.52! 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 12.227 -1.272 -18.309 1.00 0.00 N ATOM 197 CA ILE A 73 11.838 0.133 -18.340 1.00 0.00 C ATOM 198 C ILE A 73 11.475 0.572 -19.754 1.00 0.00 C ATOM 199 O ILE A 73 10.328 0.926 -20.032 1.00 0.00 O ATOM 200 CB ILE A 73 12.962 1.040 -17.805 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.414 0.568 -16.422 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.494 2.487 -17.751 1.00 0.00 C ATOM 203 CD1 ILE A 73 14.543 1.390 -15.842 1.00 0.00 C ATOM 0 HA ILE A 73 10.964 0.233 -17.696 1.00 0.00 H new ATOM 0 HB ILE A 73 13.812 0.979 -18.484 1.00 0.00 H new ATOM 0 HG12 ILE A 73 12.564 0.601 -15.740 1.00 0.00 H new ATOM 0 HG13 ILE A 73 13.730 -0.473 -16.488 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.299 3.116 -17.371 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.217 2.817 -18.752 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.630 2.566 -17.091 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.811 0.998 -14.861 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.408 1.337 -16.503 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.224 2.428 -15.744 1.00 0.00 H new ATOM 215 N THR A 74 12.459 0.545 -20.648 1.00 0.00 N ATOM 216 CA THR A 74 12.244 0.940 -22.034 1.00 0.00 C ATOM 217 C THR A 74 11.001 0.271 -22.610 1.00 0.00 C ATOM 218 O THR A 74 10.236 0.892 -23.349 1.00 0.00 O ATOM 219 CB THR A 74 13.458 0.585 -22.914 1.00 0.00 C ATOM 220 OG1 THR A 74 14.645 1.175 -22.372 1.00 0.00 O ATOM 221 CG2 THR A 74 13.252 1.069 -24.341 1.00 0.00 C ATOM 0 H THR A 74 13.413 0.253 -20.436 1.00 0.00 H new ATOM 0 HA THR A 74 12.106 2.021 -22.037 1.00 0.00 H new ATOM 0 HB THR A 74 13.565 -0.500 -22.927 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.412 0.943 -22.936 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.122 0.807 -24.943 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.364 0.596 -24.761 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.122 2.151 -24.343 1.00 0.00 H new ATOM 229 N LEU A 75 10.805 -0.997 -22.267 1.00 0.00 N ATOM 230 CA LEU A 75 9.653 -1.751 -22.749 1.00 0.00 C ATOM 231 C LEU A 75 8.349 -1.057 -22.367 1.00 0.00 C ATOM 232 O LEU A 75 7.504 -0.789 -23.221 1.00 0.00 O ATOM 233 CB LEU A 75 9.673 -3.171 -22.181 1.00 0.00 C ATOM 234 CG LEU A 75 10.649 -4.144 -22.843 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.558 -5.516 -22.193 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.375 -4.241 -24.337 1.00 0.00 C ATOM 0 H LEU A 75 11.429 -1.525 -21.657 1.00 0.00 H new ATOM 0 HA LEU A 75 9.712 -1.800 -23.836 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.913 -3.113 -21.119 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.668 -3.586 -22.259 1.00 0.00 H new ATOM 0 HG LEU A 75 11.661 -3.764 -22.703 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.260 -6.195 -22.677 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.804 -5.434 -21.134 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.545 -5.903 -22.301 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.079 -4.938 -24.792 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.357 -4.597 -24.498 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.492 -3.258 -24.793 1.00 0.00 H new ATOM 248 N ILE A 76 8.195 -0.767 -21.079 1.00 0.00 N ATOM 249 CA ILE A 76 6.996 -0.101 -20.585 1.00 0.00 C ATOM 250 C ILE A 76 6.760 1.217 -21.314 1.00 0.00 C ATOM 251 O ILE A 76 5.637 1.522 -21.717 1.00 0.00 O ATOM 252 CB ILE A 76 7.087 0.172 -19.072 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.161 -1.146 -18.298 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.896 0.998 -18.610 1.00 0.00 C ATOM 255 CD1 ILE A 76 5.978 -2.056 -18.540 1.00 0.00 C ATOM 0 H ILE A 76 8.885 -0.983 -20.359 1.00 0.00 H new ATOM 0 HA ILE A 76 6.160 -0.774 -20.775 1.00 0.00 H new ATOM 0 HB ILE A 76 7.996 0.740 -18.874 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.075 -1.670 -18.576 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.230 -0.929 -17.232 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.975 1.183 -17.539 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.885 1.949 -19.142 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.974 0.455 -18.818 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.098 -2.971 -17.960 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.062 -1.550 -18.235 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.920 -2.304 -19.600 1.00 0.00 H new ATOM 267 N ILE A 77 7.825 1.994 -21.482 1.00 0.00 N ATOM 268 CA ILE A 77 7.733 3.278 -22.166 1.00 0.00 C ATOM 269 C ILE A 77 7.298 3.099 -23.617 1.00 0.00 C ATOM 270 O ILE A 77 6.378 3.767 -24.087 1.00 0.00 O ATOM 271 CB ILE A 77 9.076 4.030 -22.134 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.457 4.377 -20.693 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.999 5.289 -22.985 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.577 5.440 -20.075 1.00 0.00 C ATOM 0 H ILE A 77 8.761 1.757 -21.154 1.00 0.00 H new ATOM 0 HA ILE A 77 6.984 3.865 -21.635 1.00 0.00 H new ATOM 0 HB ILE A 77 9.848 3.382 -22.548 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.404 3.474 -20.084 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.493 4.716 -20.671 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.956 5.810 -22.952 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.768 5.018 -24.015 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.217 5.942 -22.598 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.905 5.635 -19.054 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.648 6.357 -20.660 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.543 5.095 -20.065 1.00 0.00 H new ATOM 286 N PHE A 78 7.965 2.190 -24.320 1.00 0.00 N ATOM 287 CA PHE A 78 7.647 1.921 -25.718 1.00 0.00 C ATOM 288 C PHE A 78 6.173 1.562 -25.881 1.00 0.00 C ATOM 289 O PHE A 78 5.491 2.081 -26.764 1.00 0.00 O ATOM 290 CB PHE A 78 8.522 0.785 -26.253 1.00 0.00 C ATOM 291 CG PHE A 78 8.117 0.308 -27.618 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.584 0.944 -28.756 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.268 -0.778 -27.762 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.211 0.507 -30.013 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.893 -1.220 -29.017 1.00 0.00 C ATOM 296 CZ PHE A 78 7.366 -0.577 -30.144 1.00 0.00 C ATOM 0 H PHE A 78 8.729 1.627 -23.945 1.00 0.00 H new ATOM 0 HA PHE A 78 7.848 2.826 -26.291 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.558 1.121 -26.287 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.481 -0.053 -25.557 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.247 1.791 -28.660 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.895 -1.285 -26.884 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.580 1.013 -30.893 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.231 -2.067 -29.116 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.076 -0.921 -31.126 1.00 0.00 H new ATOM 306 N GLY A 79 5.688 0.670 -25.023 1.00 0.00 N ATOM 307 CA GLY A 79 4.299 0.256 -25.088 1.00 0.00 C ATOM 308 C GLY A 79 3.340 1.425 -24.975 1.00 0.00 C ATOM 309 O GLY A 79 2.472 1.610 -25.829 1.00 0.00 O ATOM 0 H GLY A 79 6.233 0.226 -24.284 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.122 -0.266 -26.029 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.097 -0.455 -24.287 1.00 0.00 H new ATOM 313 N VAL A 80 3.494 2.215 -23.918 1.00 0.00 N ATOM 314 CA VAL A 80 2.634 3.371 -23.696 1.00 0.00 C ATOM 315 C VAL A 80 2.787 4.393 -24.817 1.00 0.00 C ATOM 316 O VAL A 80 1.825 5.060 -25.198 1.00 0.00 O ATOM 317 CB VAL A 80 2.946 4.052 -22.350 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.992 5.211 -22.104 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.876 3.043 -21.214 1.00 0.00 C ATOM 0 H VAL A 80 4.207 2.076 -23.202 1.00 0.00 H new ATOM 0 HA VAL A 80 1.608 3.004 -23.680 1.00 0.00 H new ATOM 0 HB VAL A 80 3.960 4.450 -22.390 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.228 5.680 -21.149 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.097 5.944 -22.904 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.967 4.841 -22.083 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.099 3.541 -20.271 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.875 2.614 -21.170 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.604 2.250 -21.386 1.00 0.00 H new ATOM 329 N MET A 81 4.003 4.511 -25.341 1.00 0.00 N ATOM 330 CA MET A 81 4.281 5.451 -26.421 1.00 0.00 C ATOM 331 C MET A 81 3.542 5.051 -27.694 1.00 0.00 C ATOM 332 O MET A 81 2.913 5.884 -28.346 1.00 0.00 O ATOM 333 CB MET A 81 5.785 5.520 -26.691 1.00 0.00 C ATOM 334 CG MET A 81 6.549 6.346 -25.668 1.00 0.00 C ATOM 335 SD MET A 81 6.526 8.109 -26.044 1.00 0.00 S ATOM 336 CE MET A 81 8.238 8.381 -26.495 1.00 0.00 C ATOM 0 H MET A 81 4.811 3.968 -25.036 1.00 0.00 H new ATOM 0 HA MET A 81 3.929 6.435 -26.112 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.190 4.508 -26.705 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.949 5.942 -27.682 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.118 6.183 -24.680 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.582 6.001 -25.626 1.00 0.00 H new ATOM 0 HE1 MET A 81 8.384 9.429 -26.755 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.881 8.123 -25.654 1.00 0.00 H new ATOM 0 HE3 MET A 81 8.492 7.756 -27.351 1.00 0.00 H new ATOM 346 N ALA A 82 3.622 3.771 -28.043 1.00 0.00 N ATOM 347 CA ALA A 82 2.960 3.261 -29.237 1.00 0.00 C ATOM 348 C ALA A 82 1.443 3.339 -29.098 1.00 0.00 C ATOM 349 O ALA A 82 0.748 3.776 -30.015 1.00 0.00 O ATOM 350 CB ALA A 82 3.394 1.828 -29.510 1.00 0.00 C ATOM 0 H ALA A 82 4.139 3.068 -27.515 1.00 0.00 H new ATOM 0 HA ALA A 82 3.255 3.885 -30.081 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.892 1.460 -30.405 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.473 1.797 -29.661 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.128 1.199 -28.660 1.00 0.00 H new ATOM 356 N GLY A 83 0.936 2.912 -27.946 1.00 0.00 N ATOM 357 CA GLY A 83 -0.496 2.941 -27.710 1.00 0.00 C ATOM 358 C GLY A 83 -1.063 4.346 -27.757 1.00 0.00 C ATOM 359 O GLY A 83 -2.038 4.607 -28.461 1.00 0.00 O ATOM 0 H GLY A 83 1.491 2.547 -27.172 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.997 2.325 -28.457 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.710 2.499 -26.737 1.00 0.00 H new ATOM 363 N VAL A 84 -0.451 5.255 -27.003 1.00 0.00 N ATOM 364 CA VAL A 84 -0.901 6.641 -26.961 1.00 0.00 C ATOM 365 C VAL A 84 -0.980 7.236 -28.363 1.00 0.00 C ATOM 366 O VAL A 84 -2.037 7.698 -28.793 1.00 0.00 O ATOM 367 CB VAL A 84 0.035 7.509 -26.099 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.270 8.985 -26.299 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.085 7.125 -24.632 1.00 0.00 C ATOM 0 H VAL A 84 0.357 5.056 -26.414 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.895 6.638 -26.514 1.00 0.00 H new ATOM 0 HB VAL A 84 1.063 7.330 -26.415 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.401 9.582 -25.682 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.128 9.247 -27.348 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.302 9.186 -26.011 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.583 7.748 -24.037 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.112 7.274 -24.300 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.188 6.077 -24.507 1.00 0.00 H new ATOM 816 N ILE B 73 5.535 -9.921 -22.546 1.00 0.00 N ATOM 817 CA ILE B 73 4.312 -9.537 -23.239 1.00 0.00 C ATOM 818 C ILE B 73 3.384 -8.748 -22.322 1.00 0.00 C ATOM 819 O ILE B 73 2.870 -7.694 -22.697 1.00 0.00 O ATOM 820 CB ILE B 73 3.559 -10.769 -23.776 1.00 0.00 C ATOM 821 CG1 ILE B 73 4.456 -11.570 -24.722 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.281 -10.343 -24.483 1.00 0.00 C ATOM 823 CD1 ILE B 73 3.810 -12.835 -25.241 1.00 0.00 C ATOM 0 HA ILE B 73 4.609 -8.908 -24.078 1.00 0.00 H new ATOM 0 HB ILE B 73 3.290 -11.407 -22.934 1.00 0.00 H new ATOM 0 HG12 ILE B 73 4.733 -10.940 -25.567 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.378 -11.830 -24.202 1.00 0.00 H new ATOM 0 HG21 ILE B 73 1.761 -11.225 -24.857 1.00 0.00 H new ATOM 0 HG22 ILE B 73 1.637 -9.812 -23.782 1.00 0.00 H new ATOM 0 HG23 ILE B 73 2.528 -9.687 -25.318 1.00 0.00 H new ATOM 0 HD11 ILE B 73 4.503 -13.351 -25.905 1.00 0.00 H new ATOM 0 HD12 ILE B 73 3.558 -13.485 -24.403 1.00 0.00 H new ATOM 0 HD13 ILE B 73 2.903 -12.582 -25.789 1.00 0.00 H new ATOM 835 N THR B 74 3.173 -9.266 -21.115 1.00 0.00 N ATOM 836 CA THR B 74 2.308 -8.610 -20.143 1.00 0.00 C ATOM 837 C THR B 74 2.669 -7.137 -19.991 1.00 0.00 C ATOM 838 O THR B 74 1.809 -6.261 -20.106 1.00 0.00 O ATOM 839 CB THR B 74 2.394 -9.292 -18.764 1.00 0.00 C ATOM 840 OG1 THR B 74 1.992 -10.663 -18.870 1.00 0.00 O ATOM 841 CG2 THR B 74 1.513 -8.577 -17.751 1.00 0.00 C ATOM 0 H THR B 74 3.590 -10.138 -20.788 1.00 0.00 H new ATOM 0 HA THR B 74 1.289 -8.695 -20.520 1.00 0.00 H new ATOM 0 HB THR B 74 3.428 -9.242 -18.422 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.051 -11.090 -17.990 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.590 -9.076 -16.785 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.840 -7.542 -17.651 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.477 -8.600 -18.090 1.00 0.00 H new ATOM 849 N LEU B 75 3.944 -6.868 -19.733 1.00 0.00 N ATOM 850 CA LEU B 75 4.419 -5.499 -19.567 1.00 0.00 C ATOM 851 C LEU B 75 4.078 -4.652 -20.789 1.00 0.00 C ATOM 852 O LEU B 75 3.528 -3.558 -20.663 1.00 0.00 O ATOM 853 CB LEU B 75 5.930 -5.488 -19.330 1.00 0.00 C ATOM 854 CG LEU B 75 6.404 -6.066 -17.996 1.00 0.00 C ATOM 855 CD1 LEU B 75 7.920 -5.999 -17.894 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.757 -5.326 -16.834 1.00 0.00 C ATOM 0 H LEU B 75 4.668 -7.580 -19.634 1.00 0.00 H new ATOM 0 HA LEU B 75 3.918 -5.070 -18.699 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.408 -6.046 -20.135 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.282 -4.459 -19.403 1.00 0.00 H new ATOM 0 HG LEU B 75 6.103 -7.112 -17.948 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.239 -6.415 -16.938 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.365 -6.574 -18.706 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.244 -4.961 -17.964 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.106 -5.751 -15.893 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.028 -4.271 -16.879 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.673 -5.425 -16.897 1.00 0.00 H new ATOM 868 N ILE B 76 4.407 -5.166 -21.969 1.00 0.00 N ATOM 869 CA ILE B 76 4.133 -4.458 -23.213 1.00 0.00 C ATOM 870 C ILE B 76 2.649 -4.130 -23.343 1.00 0.00 C ATOM 871 O ILE B 76 2.280 -3.019 -23.725 1.00 0.00 O ATOM 872 CB ILE B 76 4.575 -5.280 -24.438 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.041 -5.694 -24.299 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.362 -4.483 -25.716 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.002 -4.526 -24.309 1.00 0.00 C ATOM 0 H ILE B 76 4.864 -6.070 -22.090 1.00 0.00 H new ATOM 0 HA ILE B 76 4.706 -3.531 -23.182 1.00 0.00 H new ATOM 0 HB ILE B 76 3.966 -6.182 -24.491 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.167 -6.250 -23.370 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.297 -6.372 -25.113 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.679 -5.078 -26.573 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.306 -4.234 -25.818 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.948 -3.565 -25.674 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.023 -4.894 -24.207 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.905 -3.983 -25.249 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.772 -3.858 -23.479 1.00 0.00 H new ATOM 887 N ILE B 77 1.803 -5.103 -23.023 1.00 0.00 N ATOM 888 CA ILE B 77 0.360 -4.917 -23.101 1.00 0.00 C ATOM 889 C ILE B 77 -0.113 -3.863 -22.106 1.00 0.00 C ATOM 890 O ILE B 77 -0.841 -2.937 -22.464 1.00 0.00 O ATOM 891 CB ILE B 77 -0.393 -6.234 -22.835 1.00 0.00 C ATOM 892 CG1 ILE B 77 -0.070 -7.260 -23.922 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.892 -5.982 -22.765 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.666 -6.921 -25.270 1.00 0.00 C ATOM 0 H ILE B 77 2.092 -6.029 -22.707 1.00 0.00 H new ATOM 0 HA ILE B 77 0.140 -4.581 -24.114 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.066 -6.635 -21.875 1.00 0.00 H new ATOM 0 HG12 ILE B 77 1.012 -7.342 -24.023 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.436 -8.237 -23.608 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.411 -6.922 -22.577 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.106 -5.281 -21.958 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.235 -5.562 -23.710 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.396 -7.692 -25.992 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.751 -6.868 -25.185 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.281 -5.958 -25.606 1.00 0.00 H new ATOM 906 N PHE B 78 0.307 -4.010 -20.853 1.00 0.00 N ATOM 907 CA PHE B 78 -0.073 -3.070 -19.805 1.00 0.00 C ATOM 908 C PHE B 78 0.280 -1.640 -20.202 1.00 0.00 C ATOM 909 O PHE B 78 -0.531 -0.726 -20.058 1.00 0.00 O ATOM 910 CB PHE B 78 0.621 -3.433 -18.490 1.00 0.00 C ATOM 911 CG PHE B 78 0.498 -2.371 -17.435 1.00 0.00 C ATOM 912 CD1 PHE B 78 1.437 -1.357 -17.341 1.00 0.00 C ATOM 913 CD2 PHE B 78 -0.557 -2.387 -16.536 1.00 0.00 C ATOM 914 CE1 PHE B 78 1.327 -0.378 -16.371 1.00 0.00 C ATOM 915 CE2 PHE B 78 -0.673 -1.411 -15.565 1.00 0.00 C ATOM 916 CZ PHE B 78 0.271 -0.405 -15.482 1.00 0.00 C ATOM 0 H PHE B 78 0.910 -4.771 -20.539 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.153 -3.133 -19.668 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.198 -4.363 -18.110 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.677 -3.620 -18.685 1.00 0.00 H new ATOM 0 HD1 PHE B 78 2.265 -1.331 -18.034 1.00 0.00 H new ATOM 0 HD2 PHE B 78 -1.297 -3.172 -16.595 1.00 0.00 H new ATOM 0 HE1 PHE B 78 2.066 0.407 -16.309 1.00 0.00 H new ATOM 0 HE2 PHE B 78 -1.501 -1.434 -14.871 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.183 0.358 -14.723 1.00 0.00 H new ATOM 926 N GLY B 79 1.498 -1.454 -20.703 1.00 0.00 N ATOM 927 CA GLY B 79 1.938 -0.134 -21.112 1.00 0.00 C ATOM 928 C GLY B 79 1.031 0.481 -22.160 1.00 0.00 C ATOM 929 O GLY B 79 0.534 1.594 -21.986 1.00 0.00 O ATOM 0 H GLY B 79 2.187 -2.195 -20.833 1.00 0.00 H new ATOM 0 HA2 GLY B 79 1.976 0.519 -20.240 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.952 -0.198 -21.506 1.00 0.00 H new ATOM 933 N VAL B 80 0.815 -0.244 -23.253 1.00 0.00 N ATOM 934 CA VAL B 80 -0.038 0.236 -24.333 1.00 0.00 C ATOM 935 C VAL B 80 -1.471 0.435 -23.854 1.00 0.00 C ATOM 936 O VAL B 80 -2.168 1.342 -24.310 1.00 0.00 O ATOM 937 CB VAL B 80 -0.037 -0.739 -25.525 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.863 -0.180 -26.673 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.387 -1.029 -25.975 1.00 0.00 C ATOM 0 H VAL B 80 1.219 -1.167 -23.414 1.00 0.00 H new ATOM 0 HA VAL B 80 0.370 1.194 -24.657 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.491 -1.677 -25.205 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.851 -0.883 -27.506 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.890 -0.028 -26.342 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.441 0.772 -26.995 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.369 -1.720 -26.818 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.869 -0.100 -26.278 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.945 -1.476 -25.152 1.00 0.00 H new ATOM 949 N MET B 81 -1.906 -0.418 -22.933 1.00 0.00 N ATOM 950 CA MET B 81 -3.257 -0.335 -22.391 1.00 0.00 C ATOM 951 C MET B 81 -3.444 0.951 -21.592 1.00 0.00 C ATOM 952 O MET B 81 -4.436 1.659 -21.762 1.00 0.00 O ATOM 953 CB MET B 81 -3.549 -1.547 -21.504 1.00 0.00 C ATOM 954 CG MET B 81 -3.856 -2.813 -22.287 1.00 0.00 C ATOM 955 SD MET B 81 -5.476 -3.499 -21.891 1.00 0.00 S ATOM 956 CE MET B 81 -6.516 -2.595 -23.037 1.00 0.00 C ATOM 0 H MET B 81 -1.342 -1.175 -22.546 1.00 0.00 H new ATOM 0 HA MET B 81 -3.957 -0.328 -23.226 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.691 -1.729 -20.857 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.394 -1.317 -20.855 1.00 0.00 H new ATOM 0 HG2 MET B 81 -3.809 -2.596 -23.354 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.089 -3.559 -22.079 1.00 0.00 H new ATOM 0 HE1 MET B 81 -7.552 -2.909 -22.913 1.00 0.00 H new ATOM 0 HE2 MET B 81 -6.435 -1.527 -22.837 1.00 0.00 H new ATOM 0 HE3 MET B 81 -6.194 -2.799 -24.058 1.00 0.00 H new ATOM 966 N ALA B 82 -2.484 1.246 -20.721 1.00 0.00 N ATOM 967 CA ALA B 82 -2.543 2.448 -19.898 1.00 0.00 C ATOM 968 C ALA B 82 -2.438 3.705 -20.754 1.00 0.00 C ATOM 969 O ALA B 82 -3.194 4.658 -20.570 1.00 0.00 O ATOM 970 CB ALA B 82 -1.438 2.425 -18.852 1.00 0.00 C ATOM 0 H ALA B 82 -1.657 0.669 -20.567 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.508 2.465 -19.391 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.493 3.328 -18.244 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.560 1.550 -18.214 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.468 2.380 -19.348 1.00 0.00 H new ATOM 976 N GLY B 83 -1.494 3.701 -21.691 1.00 0.00 N ATOM 977 CA GLY B 83 -1.307 4.847 -22.560 1.00 0.00 C ATOM 978 C GLY B 83 -2.527 5.134 -23.413 1.00 0.00 C ATOM 979 O GLY B 83 -3.017 6.263 -23.448 1.00 0.00 O ATOM 0 H GLY B 83 -0.856 2.924 -21.863 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.076 5.724 -21.955 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.448 4.672 -23.208 1.00 0.00 H new ATOM 983 N VAL B 84 -3.019 4.110 -24.103 1.00 0.00 N ATOM 984 CA VAL B 84 -4.189 4.257 -24.960 1.00 0.00 C ATOM 985 C VAL B 84 -5.361 4.857 -24.191 1.00 0.00 C ATOM 986 O VAL B 84 -5.891 5.904 -24.564 1.00 0.00 O ATOM 987 CB VAL B 84 -4.620 2.905 -25.558 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.993 3.019 -26.203 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.589 2.415 -26.564 1.00 0.00 C ATOM 0 H VAL B 84 -2.625 3.169 -24.085 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.906 4.930 -25.769 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.684 2.175 -24.751 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.280 2.054 -26.620 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.723 3.322 -25.453 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.960 3.763 -26.999 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.909 1.458 -26.977 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.492 3.143 -27.369 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.626 2.292 -26.068 1.00 0.00 H new ATOM 999 N ILE B 85 -5.761 4.186 -23.115 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.869 4.654 -22.293 1.00 0.00 C ATOM 1001 C ILE B 85 -6.630 6.080 -21.807 1.00 0.00 C ATOM 1002 O ILE B 85 -7.544 6.903 -21.793 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.091 3.739 -21.074 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.439 2.321 -21.530 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.190 4.300 -20.183 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.757 2.230 -22.266 1.00 0.00 C ATOM 0 H ILE B 85 -5.334 3.317 -22.793 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.759 4.631 -22.922 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.168 3.698 -20.496 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.644 1.951 -22.178 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.472 1.666 -20.659 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.335 3.642 -19.326 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.905 5.293 -19.834 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.119 4.368 -20.750 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.939 1.196 -22.559 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.562 2.569 -21.614 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.721 2.859 -23.156 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.393 6.365 -21.412 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.055 7.693 -20.932 1.00 0.00 C ATOM 1020 C GLY B 86 -5.334 8.769 -21.962 1.00 0.00 C ATOM 1021 O GLY B 86 -6.012 9.756 -21.672 1.00 0.00 O ATOM 0 H GLY B 86 -4.619 5.701 -21.416 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.624 7.905 -20.027 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.000 7.720 -20.659 1.00 0.00 H new ATOM 1025 N THR B 87 -4.810 8.582 -23.169 1.00 0.00 N ATOM 1026 CA THR B 87 -5.004 9.546 -24.245 1.00 0.00 C ATOM 1027 C THR B 87 -6.487 9.774 -24.518 1.00 0.00 C ATOM 1028 O THR B 87 -6.931 10.912 -24.671 1.00 0.00 O ATOM 1029 CB THR B 87 -4.320 9.083 -25.545 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.047 8.498 -25.247 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.136 10.249 -26.505 1.00 0.00 C ATOM 0 H THR B 87 -4.247 7.771 -23.426 1.00 0.00 H new ATOM 0 HA THR B 87 -4.549 10.481 -23.917 1.00 0.00 H new ATOM 0 HB THR B 87 -4.959 8.339 -26.021 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.632 8.980 -24.502 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.651 9.897 -27.416 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.109 10.673 -26.753 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.516 11.013 -26.035 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.247 8.686 -24.578 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.680 8.769 -24.831 1.00 0.00 C ATOM 1041 C ILE B 88 -9.360 9.708 -23.840 1.00 0.00 C ATOM 1042 O ILE B 88 -10.097 10.614 -24.232 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.347 7.383 -24.748 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.723 6.431 -25.770 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.847 7.503 -24.974 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.900 4.970 -25.421 1.00 0.00 C ATOM 0 H ILE B 88 -6.894 7.737 -24.455 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.800 9.162 -25.841 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.181 6.975 -23.751 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.167 6.619 -26.748 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.659 6.649 -25.855 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.304 6.516 -24.912 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.279 8.151 -24.212 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.033 7.928 -25.960 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.433 4.353 -26.189 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.432 4.767 -24.458 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.963 4.736 -25.364 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.106 9.488 -22.555 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.691 10.316 -21.506 1.00 0.00 C ATOM 1060 C LEU B 89 -9.346 11.786 -21.717 1.00 0.00 C ATOM 1061 O LEU B 89 -10.230 12.644 -21.752 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.199 9.857 -20.132 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.827 8.572 -19.590 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -8.872 7.876 -18.632 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.150 8.874 -18.902 1.00 0.00 C ATOM 0 H LEU B 89 -8.499 8.743 -22.214 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.774 10.206 -21.552 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.119 9.717 -20.183 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.383 10.658 -19.416 1.00 0.00 H new ATOM 0 HG LEU B 89 -10.021 7.903 -20.428 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.335 6.964 -18.256 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -7.949 7.626 -19.156 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.647 8.539 -17.797 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.582 7.948 -18.523 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -10.981 9.562 -18.073 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.836 9.329 -19.616 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.057 12.072 -21.860 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.594 13.439 -22.071 1.00 0.00 C ATOM 1079 C LEU B 90 -8.245 14.050 -23.308 1.00 0.00 C ATOM 1080 O LEU B 90 -8.804 15.145 -23.250 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.072 13.467 -22.215 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.273 12.984 -21.003 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -3.935 12.410 -21.440 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.070 14.121 -20.012 1.00 0.00 C ATOM 0 H LEU B 90 -7.313 11.375 -21.834 1.00 0.00 H new ATOM 0 HA LEU B 90 -7.881 14.031 -21.202 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.797 12.854 -23.074 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.767 14.489 -22.442 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.839 12.194 -20.509 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.381 12.072 -20.564 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.102 11.568 -22.111 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.361 13.178 -21.958 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.500 13.760 -19.156 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.525 14.932 -20.495 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.040 14.487 -19.674 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.171 13.333 -24.424 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.756 13.803 -25.673 1.00 0.00 C ATOM 1098 C ILE B 91 -10.236 14.126 -25.500 1.00 0.00 C ATOM 1099 O ILE B 91 -10.712 15.166 -25.955 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.598 12.760 -26.796 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.129 12.641 -27.209 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.461 13.135 -27.992 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.576 13.898 -27.843 1.00 0.00 C ATOM 0 H ILE B 91 -7.712 12.425 -24.489 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.219 14.710 -25.951 1.00 0.00 H new ATOM 0 HB ILE B 91 -8.930 11.792 -26.422 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.532 12.394 -26.331 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -7.023 11.813 -27.910 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.339 12.389 -28.777 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.507 13.174 -27.688 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.156 14.111 -28.369 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.531 13.741 -28.110 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.148 14.135 -28.740 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -6.650 14.725 -27.136 1.00 0.00 H new ATOM 1115 N SER B 92 -10.958 13.229 -24.837 1.00 0.00 N ATOM 1116 CA SER B 92 -12.385 13.418 -24.604 1.00 0.00 C ATOM 1117 C SER B 92 -12.651 14.748 -23.906 1.00 0.00 C ATOM 1118 O SER B 92 -13.663 15.403 -24.156 1.00 0.00 O ATOM 1119 CB SER B 92 -12.943 12.268 -23.764 1.00 0.00 C ATOM 1120 OG SER B 92 -14.153 12.642 -23.127 1.00 0.00 O ATOM 0 H SER B 92 -10.579 12.364 -24.452 1.00 0.00 H new ATOM 0 HA SER B 92 -12.887 13.429 -25.571 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.116 11.400 -24.400 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.210 11.972 -23.014 1.00 0.00 H new ATOM 0 HG SER B 92 -14.490 11.889 -22.598 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.734 15.142 -23.029 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.868 16.392 -22.291 1.00 0.00 C ATOM 1128 C TYR B 93 -11.682 17.592 -23.215 1.00 0.00 C ATOM 1129 O TYR B 93 -12.341 18.619 -23.059 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.850 16.449 -21.151 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.102 15.430 -20.063 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.389 15.179 -19.603 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.053 14.716 -19.496 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.624 14.250 -18.609 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -10.279 13.784 -18.502 1.00 0.00 C ATOM 1136 CZ TYR B 93 -11.566 13.554 -18.061 1.00 0.00 C ATOM 1137 OH TYR B 93 -11.795 12.626 -17.072 1.00 0.00 O ATOM 0 H TYR B 93 -10.889 14.613 -22.812 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.874 16.431 -21.872 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -9.851 16.293 -21.559 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.863 17.447 -20.713 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -13.220 15.720 -20.031 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -9.044 14.893 -19.838 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.631 14.069 -18.262 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -9.452 13.238 -18.072 1.00 0.00 H new ATOM 0 HH TYR B 93 -10.944 12.225 -16.796 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.776 17.454 -24.179 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.518 18.533 -25.114 1.00 0.00 C ATOM 1149 C GLY B 94 -11.715 18.837 -25.993 1.00 0.00 C ATOM 1150 O GLY B 94 -11.981 19.997 -26.311 1.00 0.00 O ATOM 0 H GLY B 94 -10.217 16.614 -24.329 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.240 19.430 -24.561 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.667 18.270 -25.742 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.437 17.794 -26.388 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.612 17.956 -27.236 1.00 0.00 C ATOM 1156 C ILE B 95 -14.715 18.717 -26.508 1.00 0.00 C ATOM 1157 O ILE B 95 -15.498 19.438 -27.126 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.163 16.595 -27.700 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.095 15.828 -28.482 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.410 16.791 -28.549 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -12.659 16.524 -29.752 1.00 0.00 C ATOM 0 H ILE B 95 -12.229 16.828 -26.135 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.295 18.527 -28.109 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.433 16.010 -26.821 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.225 15.679 -27.842 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -13.480 14.840 -28.733 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -15.788 15.820 -28.870 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.173 17.302 -27.962 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.163 17.392 -29.425 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -11.901 15.923 -30.254 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.518 16.650 -30.411 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -12.244 17.502 -29.507 1.00 0.00 H new ATOM 1173 N ARG B 96 -14.769 18.552 -25.190 1.00 0.00 N ATOM 1174 CA ARG B 96 -15.776 19.224 -24.377 1.00 0.00 C ATOM 1175 C ARG B 96 -15.449 20.706 -24.221 1.00 0.00 C ATOM 1176 O ARG B 96 -16.333 21.559 -24.301 1.00 0.00 O ATOM 1177 CB ARG B 96 -15.873 18.564 -23.000 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.300 18.275 -22.562 1.00 0.00 C ATOM 1179 CD ARG B 96 -17.338 17.291 -21.404 1.00 0.00 C ATOM 1180 NE ARG B 96 -18.693 17.100 -20.893 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.059 16.061 -20.151 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -18.175 15.124 -19.835 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -20.311 15.957 -19.723 1.00 0.00 N ATOM 0 H ARG B 96 -14.128 17.959 -24.663 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.736 19.134 -24.885 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.310 17.631 -23.013 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.399 19.211 -22.262 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -17.787 19.205 -22.267 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.865 17.872 -23.402 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -16.935 16.332 -21.730 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -16.695 17.651 -20.601 1.00 0.00 H new ATOM 0 HE ARG B 96 -19.397 17.803 -21.118 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -17.212 15.200 -20.162 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -18.458 14.327 -19.265 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -20.994 16.676 -19.964 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -20.591 15.158 -19.153 1.00 0.00 H new