USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 272 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 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 55:sc= 1.01 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0307 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 12.343 -39.648 -6.231 1.00 0.00 N ATOM 19 CA THR A 2 10.929 -39.795 -5.907 1.00 0.00 C ATOM 20 C THR A 2 10.524 -38.810 -4.815 1.00 0.00 C ATOM 21 O THR A 2 9.395 -38.319 -4.799 1.00 0.00 O ATOM 22 CB THR A 2 10.647 -41.224 -5.437 1.00 0.00 C ATOM 23 OG1 THR A 2 9.310 -41.310 -4.966 1.00 0.00 O ATOM 24 CG2 THR A 2 11.614 -41.598 -4.311 1.00 0.00 C ATOM 0 HA THR A 2 10.346 -39.585 -6.804 1.00 0.00 H new ATOM 0 HB THR A 2 10.784 -41.913 -6.270 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.127 -42.225 -4.666 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.410 -42.616 -3.979 1.00 0.00 H new ATOM 0 HG22 THR A 2 12.639 -41.534 -4.676 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.482 -40.911 -3.475 1.00 0.00 H new ATOM 32 N TYR A 3 11.451 -38.524 -3.907 1.00 0.00 N ATOM 33 CA TYR A 3 11.174 -37.596 -2.818 1.00 0.00 C ATOM 34 C TYR A 3 10.311 -36.438 -3.308 1.00 0.00 C ATOM 35 O TYR A 3 9.593 -35.813 -2.529 1.00 0.00 O ATOM 36 CB TYR A 3 12.485 -37.051 -2.248 1.00 0.00 C ATOM 37 CG TYR A 3 13.440 -38.193 -2.000 1.00 0.00 C ATOM 38 CD1 TYR A 3 13.075 -39.234 -1.137 1.00 0.00 C ATOM 39 CD2 TYR A 3 14.689 -38.210 -2.631 1.00 0.00 C ATOM 40 CE1 TYR A 3 13.961 -40.293 -0.906 1.00 0.00 C ATOM 41 CE2 TYR A 3 15.574 -39.270 -2.401 1.00 0.00 C ATOM 42 CZ TYR A 3 15.210 -40.311 -1.539 1.00 0.00 C ATOM 43 OH TYR A 3 16.083 -41.355 -1.311 1.00 0.00 O ATOM 0 H TYR A 3 12.392 -38.917 -3.903 1.00 0.00 H new ATOM 0 HA TYR A 3 10.635 -38.133 -2.038 1.00 0.00 H new ATOM 0 HB2 TYR A 3 12.927 -36.338 -2.943 1.00 0.00 H new ATOM 0 HB3 TYR A 3 12.294 -36.514 -1.319 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.111 -39.220 -0.650 1.00 0.00 H new ATOM 0 HD2 TYR A 3 14.970 -37.406 -3.295 1.00 0.00 H new ATOM 0 HE1 TYR A 3 13.681 -41.096 -0.240 1.00 0.00 H new ATOM 0 HE2 TYR A 3 16.538 -39.285 -2.889 1.00 0.00 H new ATOM 0 HH TYR A 3 16.904 -41.214 -1.828 1.00 0.00 H new ATOM 53 N PHE A 4 10.386 -36.159 -4.605 1.00 0.00 N ATOM 54 CA PHE A 4 9.607 -35.074 -5.188 1.00 0.00 C ATOM 55 C PHE A 4 8.195 -35.062 -4.610 1.00 0.00 C ATOM 56 O PHE A 4 7.579 -34.006 -4.473 1.00 0.00 O ATOM 57 CB PHE A 4 9.540 -35.237 -6.707 1.00 0.00 C ATOM 58 CG PHE A 4 8.549 -34.251 -7.276 1.00 0.00 C ATOM 59 CD1 PHE A 4 8.941 -32.932 -7.536 1.00 0.00 C ATOM 60 CD2 PHE A 4 7.236 -34.657 -7.545 1.00 0.00 C ATOM 61 CE1 PHE A 4 8.021 -32.019 -8.065 1.00 0.00 C ATOM 62 CE2 PHE A 4 6.316 -33.743 -8.074 1.00 0.00 C ATOM 63 CZ PHE A 4 6.708 -32.425 -8.334 1.00 0.00 C ATOM 0 H PHE A 4 10.974 -36.665 -5.268 1.00 0.00 H new ATOM 0 HA PHE A 4 10.094 -34.129 -4.948 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.525 -35.073 -7.145 1.00 0.00 H new ATOM 0 HB3 PHE A 4 9.244 -36.255 -6.961 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.954 -32.619 -7.328 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.933 -35.674 -7.345 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.324 -31.002 -8.266 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.303 -34.056 -8.281 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.998 -31.721 -8.742 1.00 0.00 H new ATOM 73 N TYR A 5 7.690 -36.244 -4.271 1.00 0.00 N ATOM 74 CA TYR A 5 6.350 -36.356 -3.704 1.00 0.00 C ATOM 75 C TYR A 5 6.376 -36.032 -2.215 1.00 0.00 C ATOM 76 O TYR A 5 5.621 -35.183 -1.741 1.00 0.00 O ATOM 77 CB TYR A 5 5.809 -37.774 -3.916 1.00 0.00 C ATOM 78 CG TYR A 5 4.515 -37.716 -4.696 1.00 0.00 C ATOM 79 CD1 TYR A 5 3.464 -36.906 -4.249 1.00 0.00 C ATOM 80 CD2 TYR A 5 4.368 -38.472 -5.865 1.00 0.00 C ATOM 81 CE1 TYR A 5 2.266 -36.852 -4.973 1.00 0.00 C ATOM 82 CE2 TYR A 5 3.171 -38.419 -6.587 1.00 0.00 C ATOM 83 CZ TYR A 5 2.120 -37.609 -6.142 1.00 0.00 C ATOM 84 OH TYR A 5 0.939 -37.557 -6.854 1.00 0.00 O ATOM 0 H TYR A 5 8.183 -37.131 -4.378 1.00 0.00 H new ATOM 0 HA TYR A 5 5.698 -35.643 -4.208 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.542 -38.376 -4.453 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.643 -38.258 -2.953 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.577 -36.323 -3.347 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.179 -39.096 -6.210 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.455 -36.227 -4.630 1.00 0.00 H new ATOM 0 HE2 TYR A 5 3.058 -39.003 -7.488 1.00 0.00 H new ATOM 0 HH TYR A 5 1.004 -38.140 -7.639 1.00 0.00 H new ATOM 94 N VAL A 6 7.254 -36.709 -1.480 1.00 0.00 N ATOM 95 CA VAL A 6 7.371 -36.476 -0.046 1.00 0.00 C ATOM 96 C VAL A 6 7.920 -35.078 0.217 1.00 0.00 C ATOM 97 O VAL A 6 7.949 -34.614 1.357 1.00 0.00 O ATOM 98 CB VAL A 6 8.294 -37.521 0.586 1.00 0.00 C ATOM 99 CG1 VAL A 6 8.144 -38.851 -0.157 1.00 0.00 C ATOM 100 CG2 VAL A 6 9.746 -37.047 0.490 1.00 0.00 C ATOM 0 H VAL A 6 7.889 -37.416 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 6 6.380 -36.559 0.401 1.00 0.00 H new ATOM 0 HB VAL A 6 8.024 -37.656 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.801 -39.595 0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.111 -39.191 -0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.413 -38.715 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.402 -37.792 0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.016 -36.911 -0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.855 -36.100 1.019 1.00 0.00 H new ATOM 110 N THR A 7 8.351 -34.413 -0.850 1.00 0.00 N ATOM 111 CA THR A 7 8.895 -33.065 -0.734 1.00 0.00 C ATOM 112 C THR A 7 7.812 -32.028 -1.006 1.00 0.00 C ATOM 113 O THR A 7 7.593 -31.119 -0.205 1.00 0.00 O ATOM 114 CB THR A 7 10.044 -32.877 -1.726 1.00 0.00 C ATOM 115 OG1 THR A 7 11.026 -33.880 -1.509 1.00 0.00 O ATOM 116 CG2 THR A 7 10.670 -31.496 -1.529 1.00 0.00 C ATOM 0 H THR A 7 8.334 -34.783 -1.800 1.00 0.00 H new ATOM 0 HA THR A 7 9.267 -32.929 0.281 1.00 0.00 H new ATOM 0 HB THR A 7 9.662 -32.958 -2.743 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.606 -34.764 -1.555 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.489 -31.363 -2.236 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.916 -30.727 -1.698 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.052 -31.412 -0.512 1.00 0.00 H new ATOM 124 N ASP A 8 7.135 -32.170 -2.141 1.00 0.00 N ATOM 125 CA ASP A 8 6.074 -31.238 -2.507 1.00 0.00 C ATOM 126 C ASP A 8 5.035 -31.160 -1.398 1.00 0.00 C ATOM 127 O ASP A 8 4.296 -30.183 -1.285 1.00 0.00 O ATOM 128 CB ASP A 8 5.409 -31.683 -3.811 1.00 0.00 C ATOM 129 CG ASP A 8 6.122 -31.052 -5.002 1.00 0.00 C ATOM 130 OD1 ASP A 8 6.559 -29.920 -4.874 1.00 0.00 O ATOM 131 OD2 ASP A 8 6.222 -31.710 -6.025 1.00 0.00 O ATOM 0 H ASP A 8 7.300 -32.915 -2.818 1.00 0.00 H new ATOM 0 HA ASP A 8 6.513 -30.250 -2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.440 -32.770 -3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.358 -31.393 -3.810 1.00 0.00 H new ATOM 136 N TYR A 9 4.997 -32.200 -0.582 1.00 0.00 N ATOM 137 CA TYR A 9 4.057 -32.257 0.530 1.00 0.00 C ATOM 138 C TYR A 9 4.551 -31.388 1.681 1.00 0.00 C ATOM 139 O TYR A 9 3.847 -31.185 2.671 1.00 0.00 O ATOM 140 CB TYR A 9 3.900 -33.703 1.005 1.00 0.00 C ATOM 141 CG TYR A 9 3.163 -33.727 2.321 1.00 0.00 C ATOM 142 CD1 TYR A 9 1.767 -33.629 2.341 1.00 0.00 C ATOM 143 CD2 TYR A 9 3.874 -33.848 3.520 1.00 0.00 C ATOM 144 CE1 TYR A 9 1.082 -33.652 3.562 1.00 0.00 C ATOM 145 CE2 TYR A 9 3.190 -33.871 4.741 1.00 0.00 C ATOM 146 CZ TYR A 9 1.794 -33.773 4.761 1.00 0.00 C ATOM 147 OH TYR A 9 1.119 -33.797 5.965 1.00 0.00 O ATOM 0 H TYR A 9 5.604 -33.016 -0.666 1.00 0.00 H new ATOM 0 HA TYR A 9 3.091 -31.882 0.193 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.355 -34.284 0.261 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.880 -34.168 1.117 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.219 -33.536 1.415 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.951 -33.924 3.503 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.005 -33.576 3.579 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.739 -33.964 5.666 1.00 0.00 H new ATOM 0 HH TYR A 9 1.762 -33.887 6.699 1.00 0.00 H new ATOM 157 N LEU A 10 5.769 -30.873 1.538 1.00 0.00 N ATOM 158 CA LEU A 10 6.361 -30.022 2.561 1.00 0.00 C ATOM 159 C LEU A 10 6.867 -28.725 1.940 1.00 0.00 C ATOM 160 O LEU A 10 7.677 -28.013 2.534 1.00 0.00 O ATOM 161 CB LEU A 10 7.520 -30.752 3.242 1.00 0.00 C ATOM 162 CG LEU A 10 7.785 -30.129 4.613 1.00 0.00 C ATOM 163 CD1 LEU A 10 6.893 -30.800 5.660 1.00 0.00 C ATOM 164 CD2 LEU A 10 9.254 -30.331 4.990 1.00 0.00 C ATOM 0 H LEU A 10 6.363 -31.031 0.724 1.00 0.00 H new ATOM 0 HA LEU A 10 5.598 -29.787 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.282 -31.810 3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.416 -30.690 2.624 1.00 0.00 H new ATOM 0 HG LEU A 10 7.563 -29.063 4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.082 -30.356 6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.846 -30.656 5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.115 -31.867 5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.443 -29.887 5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.477 -31.397 5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.890 -29.853 4.245 1.00 0.00 H new ATOM 272 N LYS A 18 3.292 -14.683 -5.089 1.00 0.00 N ATOM 273 CA LYS A 18 2.867 -13.626 -5.996 1.00 0.00 C ATOM 274 C LYS A 18 1.456 -13.205 -5.655 1.00 0.00 C ATOM 275 O LYS A 18 1.085 -12.036 -5.773 1.00 0.00 O ATOM 276 CB LYS A 18 2.926 -14.117 -7.444 1.00 0.00 C ATOM 277 CG LYS A 18 2.894 -12.918 -8.394 1.00 0.00 C ATOM 278 CD LYS A 18 2.853 -13.414 -9.841 1.00 0.00 C ATOM 279 CE LYS A 18 1.555 -14.187 -10.079 1.00 0.00 C ATOM 280 NZ LYS A 18 1.195 -14.121 -11.524 1.00 0.00 N ATOM 0 HA LYS A 18 3.537 -12.773 -5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.834 -14.697 -7.605 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.084 -14.779 -7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.021 -12.299 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.773 -12.293 -8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.917 -12.570 -10.528 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.712 -14.054 -10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.676 -15.225 -9.770 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.752 -13.766 -9.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.312 -14.647 -11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.063 -13.128 -11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.958 -14.542 -12.091 1.00 0.00 H new ATOM 294 N ILE A 19 0.678 -14.178 -5.217 1.00 0.00 N ATOM 295 CA ILE A 19 -0.699 -13.932 -4.836 1.00 0.00 C ATOM 296 C ILE A 19 -0.734 -13.240 -3.484 1.00 0.00 C ATOM 297 O ILE A 19 -1.727 -12.610 -3.120 1.00 0.00 O ATOM 298 CB ILE A 19 -1.462 -15.252 -4.759 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.858 -15.696 -6.170 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.721 -15.067 -3.909 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.613 -17.024 -6.097 1.00 0.00 C ATOM 0 H ILE A 19 0.978 -15.148 -5.116 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.170 -13.293 -5.583 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.827 -16.012 -4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.483 -14.936 -6.639 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.969 -15.805 -6.791 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.265 -16.010 -3.855 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.439 -14.752 -2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.357 -14.307 -4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.894 -17.338 -7.102 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.973 -17.782 -5.645 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.511 -16.899 -5.492 1.00 0.00 H new ATOM 313 N ILE A 20 0.364 -13.359 -2.742 1.00 0.00 N ATOM 314 CA ILE A 20 0.440 -12.730 -1.422 1.00 0.00 C ATOM 315 C ILE A 20 1.190 -11.404 -1.495 1.00 0.00 C ATOM 316 O ILE A 20 1.016 -10.537 -0.638 1.00 0.00 O ATOM 317 CB ILE A 20 1.141 -13.652 -0.424 1.00 0.00 C ATOM 318 CG1 ILE A 20 1.016 -13.062 0.982 1.00 0.00 C ATOM 319 CG2 ILE A 20 2.621 -13.773 -0.790 1.00 0.00 C ATOM 320 CD1 ILE A 20 1.348 -14.138 2.018 1.00 0.00 C ATOM 0 H ILE A 20 1.199 -13.874 -3.022 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.580 -12.545 -1.085 1.00 0.00 H new ATOM 0 HB ILE A 20 0.678 -14.638 -0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.692 -12.214 1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.005 -12.687 1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.119 -14.431 -0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.715 -14.188 -1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.085 -12.787 -0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.259 -13.718 3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.655 -14.972 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.367 -14.491 1.862 1.00 0.00 H new ATOM 332 N ILE A 21 2.027 -11.252 -2.514 1.00 0.00 N ATOM 333 CA ILE A 21 2.798 -10.027 -2.673 1.00 0.00 C ATOM 334 C ILE A 21 2.050 -9.025 -3.549 1.00 0.00 C ATOM 335 O ILE A 21 1.944 -7.848 -3.208 1.00 0.00 O ATOM 336 CB ILE A 21 4.157 -10.342 -3.297 1.00 0.00 C ATOM 337 CG1 ILE A 21 5.114 -10.831 -2.206 1.00 0.00 C ATOM 338 CG2 ILE A 21 4.727 -9.080 -3.944 1.00 0.00 C ATOM 339 CD1 ILE A 21 6.397 -11.357 -2.850 1.00 0.00 C ATOM 0 H ILE A 21 2.188 -11.955 -3.236 1.00 0.00 H new ATOM 0 HA ILE A 21 2.945 -9.585 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 21 4.039 -11.116 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.347 -10.017 -1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.641 -11.618 -1.618 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.696 -9.305 -4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.045 -8.728 -4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.847 -8.305 -3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.078 -11.705 -2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.156 -12.184 -3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.873 -10.558 -3.418 1.00 0.00 H new ATOM 351 N GLY A 22 1.535 -9.499 -4.678 1.00 0.00 N ATOM 352 CA GLY A 22 0.801 -8.634 -5.596 1.00 0.00 C ATOM 353 C GLY A 22 -0.186 -7.743 -4.847 1.00 0.00 C ATOM 354 O GLY A 22 -0.225 -6.529 -5.052 1.00 0.00 O ATOM 0 H GLY A 22 1.611 -10.471 -4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.502 -8.014 -6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.265 -9.243 -6.323 1.00 0.00 H new ATOM 358 N PRO A 23 -0.980 -8.327 -3.989 1.00 0.00 N ATOM 359 CA PRO A 23 -1.995 -7.579 -3.192 1.00 0.00 C ATOM 360 C PRO A 23 -1.382 -6.407 -2.431 1.00 0.00 C ATOM 361 O PRO A 23 -1.992 -5.343 -2.317 1.00 0.00 O ATOM 362 CB PRO A 23 -2.551 -8.626 -2.223 1.00 0.00 C ATOM 363 CG PRO A 23 -2.256 -9.950 -2.847 1.00 0.00 C ATOM 364 CD PRO A 23 -0.996 -9.766 -3.689 1.00 0.00 C ATOM 0 HA PRO A 23 -2.761 -7.135 -3.828 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.081 -8.541 -1.243 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.623 -8.493 -2.075 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.103 -10.713 -2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.090 -10.281 -3.466 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.103 -10.071 -3.144 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.033 -10.364 -4.600 1.00 0.00 H new ATOM 372 N LEU A 24 -0.174 -6.605 -1.912 1.00 0.00 N ATOM 373 CA LEU A 24 0.502 -5.549 -1.168 1.00 0.00 C ATOM 374 C LEU A 24 1.152 -4.563 -2.124 1.00 0.00 C ATOM 375 O LEU A 24 1.166 -3.357 -1.875 1.00 0.00 O ATOM 376 CB LEU A 24 1.559 -6.149 -0.239 1.00 0.00 C ATOM 377 CG LEU A 24 2.248 -5.031 0.547 1.00 0.00 C ATOM 378 CD1 LEU A 24 1.878 -5.142 2.027 1.00 0.00 C ATOM 379 CD2 LEU A 24 3.766 -5.158 0.392 1.00 0.00 C ATOM 0 H LEU A 24 0.351 -7.476 -1.991 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.238 -5.021 -0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.094 -6.857 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.295 -6.705 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 24 1.922 -4.065 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.369 -4.345 2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.798 -5.051 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.203 -6.109 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.257 -4.362 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.091 -6.125 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.032 -5.078 -0.662 1.00 0.00 H new ATOM 391 N ILE A 25 1.671 -5.078 -3.230 1.00 0.00 N ATOM 392 CA ILE A 25 2.297 -4.228 -4.227 1.00 0.00 C ATOM 393 C ILE A 25 1.353 -3.084 -4.573 1.00 0.00 C ATOM 394 O ILE A 25 1.786 -1.973 -4.877 1.00 0.00 O ATOM 395 CB ILE A 25 2.629 -5.040 -5.483 1.00 0.00 C ATOM 396 CG1 ILE A 25 4.049 -5.602 -5.360 1.00 0.00 C ATOM 397 CG2 ILE A 25 2.543 -4.146 -6.722 1.00 0.00 C ATOM 398 CD1 ILE A 25 4.414 -6.364 -6.635 1.00 0.00 C ATOM 0 H ILE A 25 1.670 -6.073 -3.456 1.00 0.00 H new ATOM 0 HA ILE A 25 3.226 -3.822 -3.826 1.00 0.00 H new ATOM 0 HB ILE A 25 1.914 -5.857 -5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.758 -4.791 -5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.115 -6.265 -4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.781 -4.731 -7.610 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.534 -3.744 -6.811 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.253 -3.325 -6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.425 -6.762 -6.544 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.712 -7.185 -6.782 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.366 -5.688 -7.489 1.00 0.00 H new ATOM 410 N PHE A 26 0.055 -3.374 -4.525 1.00 0.00 N ATOM 411 CA PHE A 26 -0.954 -2.367 -4.837 1.00 0.00 C ATOM 412 C PHE A 26 -0.968 -1.267 -3.779 1.00 0.00 C ATOM 413 O PHE A 26 -1.125 -0.089 -4.100 1.00 0.00 O ATOM 414 CB PHE A 26 -2.338 -3.018 -4.912 1.00 0.00 C ATOM 415 CG PHE A 26 -3.399 -1.963 -4.708 1.00 0.00 C ATOM 416 CD1 PHE A 26 -3.728 -1.090 -5.753 1.00 0.00 C ATOM 417 CD2 PHE A 26 -4.052 -1.854 -3.474 1.00 0.00 C ATOM 418 CE1 PHE A 26 -4.709 -0.110 -5.564 1.00 0.00 C ATOM 419 CE2 PHE A 26 -5.033 -0.873 -3.285 1.00 0.00 C ATOM 420 CZ PHE A 26 -5.362 -0.001 -4.329 1.00 0.00 C ATOM 0 H PHE A 26 -0.320 -4.289 -4.275 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.705 -1.924 -5.801 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.472 -3.503 -5.879 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.429 -3.793 -4.151 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.224 -1.173 -6.705 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.799 -2.527 -2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.963 0.562 -6.370 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.536 -0.789 -2.333 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.119 0.756 -4.183 1.00 0.00 H new ATOM 430 N VAL A 27 -0.808 -1.657 -2.519 1.00 0.00 N ATOM 431 CA VAL A 27 -0.810 -0.692 -1.424 1.00 0.00 C ATOM 432 C VAL A 27 0.458 0.159 -1.448 1.00 0.00 C ATOM 433 O VAL A 27 0.412 1.363 -1.195 1.00 0.00 O ATOM 434 CB VAL A 27 -0.914 -1.420 -0.084 1.00 0.00 C ATOM 435 CG1 VAL A 27 -0.756 -0.416 1.059 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.283 -2.098 0.023 1.00 0.00 C ATOM 0 H VAL A 27 -0.676 -2.627 -2.231 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.672 -0.037 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.127 -2.171 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.830 -0.937 2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.217 0.069 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.542 0.336 0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.358 -2.617 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.068 -1.345 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.398 -2.815 -0.790 1.00 0.00 H new ATOM 446 N PHE A 28 1.588 -0.471 -1.754 1.00 0.00 N ATOM 447 CA PHE A 28 2.859 0.243 -1.806 1.00 0.00 C ATOM 448 C PHE A 28 2.869 1.232 -2.965 1.00 0.00 C ATOM 449 O PHE A 28 3.385 2.344 -2.842 1.00 0.00 O ATOM 450 CB PHE A 28 4.011 -0.750 -1.970 1.00 0.00 C ATOM 451 CG PHE A 28 5.303 -0.098 -1.540 1.00 0.00 C ATOM 452 CD1 PHE A 28 5.632 -0.021 -0.181 1.00 0.00 C ATOM 453 CD2 PHE A 28 6.174 0.432 -2.501 1.00 0.00 C ATOM 454 CE1 PHE A 28 6.831 0.583 0.216 1.00 0.00 C ATOM 455 CE2 PHE A 28 7.372 1.037 -2.104 1.00 0.00 C ATOM 456 CZ PHE A 28 7.701 1.112 -0.745 1.00 0.00 C ATOM 0 H PHE A 28 1.650 -1.466 -1.968 1.00 0.00 H new ATOM 0 HA PHE A 28 2.984 0.792 -0.873 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.825 -1.642 -1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.082 -1.072 -3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.961 -0.428 0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.921 0.374 -3.549 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.085 0.641 1.264 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.042 1.446 -2.845 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.626 1.578 -0.438 1.00 0.00 H new ATOM 466 N LEU A 29 2.294 0.822 -4.090 1.00 0.00 N ATOM 467 CA LEU A 29 2.241 1.682 -5.267 1.00 0.00 C ATOM 468 C LEU A 29 1.242 2.815 -5.054 1.00 0.00 C ATOM 469 O LEU A 29 1.420 3.918 -5.571 1.00 0.00 O ATOM 470 CB LEU A 29 1.830 0.862 -6.491 1.00 0.00 C ATOM 471 CG LEU A 29 2.460 1.467 -7.748 1.00 0.00 C ATOM 472 CD1 LEU A 29 3.950 1.117 -7.796 1.00 0.00 C ATOM 473 CD2 LEU A 29 1.761 0.900 -8.986 1.00 0.00 C ATOM 0 H LEU A 29 1.861 -0.093 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 29 3.230 2.109 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.151 -0.173 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.744 0.850 -6.586 1.00 0.00 H new ATOM 0 HG LEU A 29 2.346 2.551 -7.727 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.396 1.549 -8.692 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.447 1.519 -6.913 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.069 0.034 -7.817 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.207 1.328 -9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.877 -0.184 -9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.701 1.151 -8.952 1.00 0.00 H new ATOM 485 N PHE A 30 0.189 2.532 -4.292 1.00 0.00 N ATOM 486 CA PHE A 30 -0.836 3.533 -4.018 1.00 0.00 C ATOM 487 C PHE A 30 -0.339 4.547 -2.990 1.00 0.00 C ATOM 488 O PHE A 30 -0.654 5.734 -3.075 1.00 0.00 O ATOM 489 CB PHE A 30 -2.103 2.851 -3.493 1.00 0.00 C ATOM 490 CG PHE A 30 -3.198 2.939 -4.531 1.00 0.00 C ATOM 491 CD1 PHE A 30 -2.910 2.677 -5.876 1.00 0.00 C ATOM 492 CD2 PHE A 30 -4.499 3.283 -4.148 1.00 0.00 C ATOM 493 CE1 PHE A 30 -3.923 2.758 -6.837 1.00 0.00 C ATOM 494 CE2 PHE A 30 -5.513 3.364 -5.109 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.226 3.102 -6.454 1.00 0.00 C ATOM 0 H PHE A 30 0.024 1.625 -3.856 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.061 4.057 -4.947 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.895 1.807 -3.258 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.427 3.327 -2.568 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.905 2.412 -6.171 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.721 3.486 -3.111 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.701 2.555 -7.874 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.517 3.629 -4.813 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.008 3.165 -7.196 1.00 0.00 H new ATOM 505 N SER A 31 0.433 4.071 -2.020 1.00 0.00 N ATOM 506 CA SER A 31 0.960 4.946 -0.978 1.00 0.00 C ATOM 507 C SER A 31 1.972 5.928 -1.555 1.00 0.00 C ATOM 508 O SER A 31 1.954 7.117 -1.235 1.00 0.00 O ATOM 509 CB SER A 31 1.625 4.114 0.118 1.00 0.00 C ATOM 510 OG SER A 31 2.212 4.983 1.078 1.00 0.00 O ATOM 0 H SER A 31 0.707 3.092 -1.933 1.00 0.00 H new ATOM 0 HA SER A 31 0.128 5.509 -0.555 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.889 3.468 0.597 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.386 3.464 -0.314 1.00 0.00 H new ATOM 0 HG SER A 31 2.638 4.452 1.783 1.00 0.00 H new ATOM 516 N VAL A 32 2.851 5.420 -2.402 1.00 0.00 N ATOM 517 CA VAL A 32 3.876 6.255 -3.021 1.00 0.00 C ATOM 518 C VAL A 32 3.252 7.247 -3.999 1.00 0.00 C ATOM 519 O VAL A 32 3.662 8.406 -4.065 1.00 0.00 O ATOM 520 CB VAL A 32 4.890 5.379 -3.758 1.00 0.00 C ATOM 521 CG1 VAL A 32 5.828 6.266 -4.577 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.706 4.578 -2.739 1.00 0.00 C ATOM 0 H VAL A 32 2.879 4.439 -2.678 1.00 0.00 H new ATOM 0 HA VAL A 32 4.381 6.813 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 32 4.364 4.694 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.551 5.643 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.248 6.838 -5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.355 6.950 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.429 3.953 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.232 5.263 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.038 3.947 -2.153 1.00 0.00 H new ATOM 532 N VAL A 33 2.262 6.787 -4.756 1.00 0.00 N ATOM 533 CA VAL A 33 1.594 7.645 -5.729 1.00 0.00 C ATOM 534 C VAL A 33 0.936 8.836 -5.037 1.00 0.00 C ATOM 535 O VAL A 33 1.196 9.989 -5.383 1.00 0.00 O ATOM 536 CB VAL A 33 0.534 6.847 -6.489 1.00 0.00 C ATOM 537 CG1 VAL A 33 -0.362 7.804 -7.277 1.00 0.00 C ATOM 538 CG2 VAL A 33 1.223 5.881 -7.457 1.00 0.00 C ATOM 0 H VAL A 33 1.906 5.832 -4.716 1.00 0.00 H new ATOM 0 HA VAL A 33 2.343 8.015 -6.429 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.073 6.284 -5.780 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.117 7.233 -7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.852 8.493 -6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.243 8.368 -7.986 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.469 5.311 -8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.830 6.446 -8.164 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.861 5.198 -6.897 1.00 0.00 H new ATOM 548 N ILE A 34 0.082 8.551 -4.060 1.00 0.00 N ATOM 549 CA ILE A 34 -0.611 9.605 -3.327 1.00 0.00 C ATOM 550 C ILE A 34 0.370 10.425 -2.499 1.00 0.00 C ATOM 551 O ILE A 34 0.065 11.540 -2.077 1.00 0.00 O ATOM 552 CB ILE A 34 -1.678 9.002 -2.411 1.00 0.00 C ATOM 553 CG1 ILE A 34 -1.006 8.146 -1.335 1.00 0.00 C ATOM 554 CG2 ILE A 34 -2.628 8.132 -3.237 1.00 0.00 C ATOM 555 CD1 ILE A 34 -2.060 7.282 -0.638 1.00 0.00 C ATOM 0 H ILE A 34 -0.146 7.604 -3.758 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.090 10.262 -4.053 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.242 9.804 -1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.241 7.513 -1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.505 8.785 -0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.388 7.702 -2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.109 8.743 -4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.065 7.330 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.582 6.672 0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.809 7.925 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.541 6.633 -1.370 1.00 0.00 H new ATOM 567 N GLY A 35 1.540 9.854 -2.256 1.00 0.00 N ATOM 568 CA GLY A 35 2.556 10.528 -1.457 1.00 0.00 C ATOM 569 C GLY A 35 3.216 11.671 -2.210 1.00 0.00 C ATOM 570 O GLY A 35 3.200 12.816 -1.759 1.00 0.00 O ATOM 0 H GLY A 35 1.810 8.932 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.101 10.912 -0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.316 9.807 -1.156 1.00 0.00 H new ATOM 574 N SER A 36 3.790 11.357 -3.362 1.00 0.00 N ATOM 575 CA SER A 36 4.443 12.376 -4.165 1.00 0.00 C ATOM 576 C SER A 36 3.395 13.333 -4.691 1.00 0.00 C ATOM 577 O SER A 36 3.674 14.499 -4.971 1.00 0.00 O ATOM 578 CB SER A 36 5.195 11.733 -5.330 1.00 0.00 C ATOM 579 OG SER A 36 5.173 10.319 -5.178 1.00 0.00 O ATOM 0 H SER A 36 3.817 10.417 -3.757 1.00 0.00 H new ATOM 0 HA SER A 36 5.161 12.918 -3.550 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.734 12.016 -6.276 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.224 12.092 -5.357 1.00 0.00 H new ATOM 0 HG SER A 36 5.653 9.902 -5.924 1.00 0.00 H new ATOM 585 N ILE A 37 2.181 12.821 -4.813 1.00 0.00 N ATOM 586 CA ILE A 37 1.070 13.632 -5.297 1.00 0.00 C ATOM 587 C ILE A 37 0.604 14.592 -4.210 1.00 0.00 C ATOM 588 O ILE A 37 0.256 15.739 -4.485 1.00 0.00 O ATOM 589 CB ILE A 37 -0.087 12.736 -5.733 1.00 0.00 C ATOM 590 CG1 ILE A 37 0.168 12.229 -7.154 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.393 13.533 -5.703 1.00 0.00 C ATOM 592 CD1 ILE A 37 -0.852 11.143 -7.501 1.00 0.00 C ATOM 0 H ILE A 37 1.938 11.856 -4.586 1.00 0.00 H new ATOM 0 HA ILE A 37 1.411 14.211 -6.155 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.164 11.888 -5.052 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.093 13.053 -7.864 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.180 11.831 -7.233 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.218 12.892 -6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.576 13.894 -4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.317 14.382 -6.382 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.670 10.783 -8.513 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.756 10.315 -6.798 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.859 11.556 -7.439 1.00 0.00 H new ATOM 604 N TYR A 38 0.601 14.108 -2.972 1.00 0.00 N ATOM 605 CA TYR A 38 0.175 14.926 -1.841 1.00 0.00 C ATOM 606 C TYR A 38 0.979 16.222 -1.782 1.00 0.00 C ATOM 607 O TYR A 38 0.412 17.311 -1.691 1.00 0.00 O ATOM 608 CB TYR A 38 0.356 14.152 -0.535 1.00 0.00 C ATOM 609 CG TYR A 38 -0.155 14.984 0.617 1.00 0.00 C ATOM 610 CD1 TYR A 38 -1.532 15.155 0.800 1.00 0.00 C ATOM 611 CD2 TYR A 38 0.748 15.585 1.501 1.00 0.00 C ATOM 612 CE1 TYR A 38 -2.006 15.926 1.868 1.00 0.00 C ATOM 613 CE2 TYR A 38 0.275 16.357 2.569 1.00 0.00 C ATOM 614 CZ TYR A 38 -1.104 16.528 2.752 1.00 0.00 C ATOM 615 OH TYR A 38 -1.570 17.289 3.805 1.00 0.00 O ATOM 0 H TYR A 38 0.887 13.160 -2.727 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.879 15.171 -1.974 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.184 13.206 -0.582 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.408 13.911 -0.385 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.229 14.692 0.117 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.811 15.453 1.359 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.069 16.056 2.010 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.972 16.820 3.251 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.811 17.633 4.321 1.00 0.00 H new ATOM 625 N LEU A 39 2.302 16.098 -1.835 1.00 0.00 N ATOM 626 CA LEU A 39 3.168 17.270 -1.785 1.00 0.00 C ATOM 627 C LEU A 39 2.622 18.371 -2.689 1.00 0.00 C ATOM 628 O LEU A 39 2.687 19.554 -2.353 1.00 0.00 O ATOM 629 CB LEU A 39 4.585 16.895 -2.227 1.00 0.00 C ATOM 630 CG LEU A 39 5.525 16.928 -1.019 1.00 0.00 C ATOM 631 CD1 LEU A 39 5.100 15.858 -0.012 1.00 0.00 C ATOM 632 CD2 LEU A 39 6.958 16.651 -1.481 1.00 0.00 C ATOM 0 H LEU A 39 2.793 15.207 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 39 3.197 17.637 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.586 15.901 -2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.934 17.589 -2.991 1.00 0.00 H new ATOM 0 HG LEU A 39 5.477 17.910 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.769 15.881 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.079 16.053 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.148 14.876 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.628 16.674 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.005 15.669 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.262 17.412 -2.199 1.00 0.00 H new