USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=9 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 39:sc= 0.0419 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 69:sc= 0.894 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 154:sc= -0.175 (180deg=-0.854) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 22.355 -31.041 4.913 1.00 0.00 N ATOM 19 CA THR A 2 22.224 -32.290 4.174 1.00 0.00 C ATOM 20 C THR A 2 20.828 -32.410 3.571 1.00 0.00 C ATOM 21 O THR A 2 20.577 -33.272 2.729 1.00 0.00 O ATOM 22 CB THR A 2 22.482 -33.477 5.104 1.00 0.00 C ATOM 23 OG1 THR A 2 23.826 -33.432 5.563 1.00 0.00 O ATOM 24 CG2 THR A 2 22.243 -34.783 4.347 1.00 0.00 C ATOM 0 HA THR A 2 22.959 -32.293 3.369 1.00 0.00 H new ATOM 0 HB THR A 2 21.804 -33.426 5.956 1.00 0.00 H new ATOM 0 HG1 THR A 2 24.079 -32.503 5.745 1.00 0.00 H new ATOM 0 HG21 THR A 2 22.427 -35.627 5.011 1.00 0.00 H new ATOM 0 HG22 THR A 2 21.212 -34.816 3.995 1.00 0.00 H new ATOM 0 HG23 THR A 2 22.919 -34.838 3.494 1.00 0.00 H new ATOM 32 N TYR A 3 19.925 -31.540 4.010 1.00 0.00 N ATOM 33 CA TYR A 3 18.554 -31.556 3.509 1.00 0.00 C ATOM 34 C TYR A 3 18.332 -30.424 2.511 1.00 0.00 C ATOM 35 O TYR A 3 17.284 -30.347 1.871 1.00 0.00 O ATOM 36 CB TYR A 3 17.574 -31.412 4.674 1.00 0.00 C ATOM 37 CG TYR A 3 18.305 -30.886 5.885 1.00 0.00 C ATOM 38 CD1 TYR A 3 19.059 -31.757 6.679 1.00 0.00 C ATOM 39 CD2 TYR A 3 18.228 -29.527 6.213 1.00 0.00 C ATOM 40 CE1 TYR A 3 19.738 -31.270 7.803 1.00 0.00 C ATOM 41 CE2 TYR A 3 18.907 -29.040 7.337 1.00 0.00 C ATOM 42 CZ TYR A 3 19.661 -29.912 8.132 1.00 0.00 C ATOM 43 OH TYR A 3 20.330 -29.431 9.239 1.00 0.00 O ATOM 0 H TYR A 3 20.115 -30.819 4.707 1.00 0.00 H new ATOM 0 HA TYR A 3 18.383 -32.506 3.003 1.00 0.00 H new ATOM 0 HB2 TYR A 3 16.765 -30.734 4.401 1.00 0.00 H new ATOM 0 HB3 TYR A 3 17.119 -32.376 4.901 1.00 0.00 H new ATOM 0 HD1 TYR A 3 19.117 -32.805 6.425 1.00 0.00 H new ATOM 0 HD2 TYR A 3 17.646 -28.855 5.600 1.00 0.00 H new ATOM 0 HE1 TYR A 3 20.321 -31.942 8.415 1.00 0.00 H new ATOM 0 HE2 TYR A 3 18.849 -27.992 7.591 1.00 0.00 H new ATOM 0 HH TYR A 3 20.172 -28.467 9.324 1.00 0.00 H new ATOM 53 N PHE A 4 19.323 -29.548 2.383 1.00 0.00 N ATOM 54 CA PHE A 4 19.221 -28.425 1.458 1.00 0.00 C ATOM 55 C PHE A 4 18.660 -28.886 0.116 1.00 0.00 C ATOM 56 O PHE A 4 17.959 -28.138 -0.565 1.00 0.00 O ATOM 57 CB PHE A 4 20.599 -27.790 1.251 1.00 0.00 C ATOM 58 CG PHE A 4 21.399 -28.624 0.279 1.00 0.00 C ATOM 59 CD1 PHE A 4 21.656 -29.971 0.559 1.00 0.00 C ATOM 60 CD2 PHE A 4 21.884 -28.048 -0.901 1.00 0.00 C ATOM 61 CE1 PHE A 4 22.399 -30.743 -0.343 1.00 0.00 C ATOM 62 CE2 PHE A 4 22.628 -28.820 -1.802 1.00 0.00 C ATOM 63 CZ PHE A 4 22.885 -30.167 -1.523 1.00 0.00 C ATOM 0 H PHE A 4 20.199 -29.593 2.903 1.00 0.00 H new ATOM 0 HA PHE A 4 18.544 -27.686 1.886 1.00 0.00 H new ATOM 0 HB2 PHE A 4 20.489 -26.775 0.870 1.00 0.00 H new ATOM 0 HB3 PHE A 4 21.125 -27.719 2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.282 -30.415 1.470 1.00 0.00 H new ATOM 0 HD2 PHE A 4 21.685 -27.009 -1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 4 22.597 -31.783 -0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 4 23.003 -28.376 -2.712 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.458 -30.762 -2.218 1.00 0.00 H new ATOM 73 N TYR A 5 18.974 -30.123 -0.258 1.00 0.00 N ATOM 74 CA TYR A 5 18.495 -30.674 -1.520 1.00 0.00 C ATOM 75 C TYR A 5 17.015 -31.032 -1.421 1.00 0.00 C ATOM 76 O TYR A 5 16.181 -30.473 -2.133 1.00 0.00 O ATOM 77 CB TYR A 5 19.299 -31.925 -1.880 1.00 0.00 C ATOM 78 CG TYR A 5 19.225 -32.163 -3.369 1.00 0.00 C ATOM 79 CD1 TYR A 5 19.932 -31.333 -4.247 1.00 0.00 C ATOM 80 CD2 TYR A 5 18.452 -33.216 -3.873 1.00 0.00 C ATOM 81 CE1 TYR A 5 19.866 -31.555 -5.628 1.00 0.00 C ATOM 82 CE2 TYR A 5 18.384 -33.438 -5.253 1.00 0.00 C ATOM 83 CZ TYR A 5 19.092 -32.608 -6.130 1.00 0.00 C ATOM 84 OH TYR A 5 19.027 -32.827 -7.491 1.00 0.00 O ATOM 0 H TYR A 5 19.554 -30.758 0.291 1.00 0.00 H new ATOM 0 HA TYR A 5 18.625 -29.920 -2.297 1.00 0.00 H new ATOM 0 HB2 TYR A 5 20.338 -31.803 -1.572 1.00 0.00 H new ATOM 0 HB3 TYR A 5 18.907 -32.789 -1.343 1.00 0.00 H new ATOM 0 HD1 TYR A 5 20.529 -30.521 -3.859 1.00 0.00 H new ATOM 0 HD2 TYR A 5 17.908 -33.858 -3.196 1.00 0.00 H new ATOM 0 HE1 TYR A 5 20.412 -30.915 -6.305 1.00 0.00 H new ATOM 0 HE2 TYR A 5 17.786 -34.249 -5.641 1.00 0.00 H new ATOM 0 HH TYR A 5 18.448 -33.597 -7.671 1.00 0.00 H new ATOM 94 N VAL A 6 16.698 -31.966 -0.529 1.00 0.00 N ATOM 95 CA VAL A 6 15.316 -32.392 -0.340 1.00 0.00 C ATOM 96 C VAL A 6 14.448 -31.210 0.082 1.00 0.00 C ATOM 97 O VAL A 6 13.220 -31.302 0.097 1.00 0.00 O ATOM 98 CB VAL A 6 15.248 -33.484 0.730 1.00 0.00 C ATOM 99 CG1 VAL A 6 13.851 -34.114 0.734 1.00 0.00 C ATOM 100 CG2 VAL A 6 16.293 -34.560 0.426 1.00 0.00 C ATOM 0 H VAL A 6 17.374 -32.439 0.070 1.00 0.00 H new ATOM 0 HA VAL A 6 14.943 -32.786 -1.285 1.00 0.00 H new ATOM 0 HB VAL A 6 15.449 -33.046 1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 6 13.805 -34.891 1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 6 13.107 -33.348 0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 6 13.646 -34.552 -0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 6 16.246 -35.339 1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 6 16.092 -34.997 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 6 17.287 -34.112 0.426 1.00 0.00 H new ATOM 110 N THR A 7 15.098 -30.103 0.424 1.00 0.00 N ATOM 111 CA THR A 7 14.379 -28.906 0.847 1.00 0.00 C ATOM 112 C THR A 7 13.775 -28.190 -0.357 1.00 0.00 C ATOM 113 O THR A 7 12.666 -27.659 -0.281 1.00 0.00 O ATOM 114 CB THR A 7 15.328 -27.958 1.580 1.00 0.00 C ATOM 115 OG1 THR A 7 15.569 -28.451 2.890 1.00 0.00 O ATOM 116 CG2 THR A 7 14.701 -26.565 1.664 1.00 0.00 C ATOM 0 H THR A 7 16.114 -30.009 0.417 1.00 0.00 H new ATOM 0 HA THR A 7 13.575 -29.207 1.519 1.00 0.00 H new ATOM 0 HB THR A 7 16.270 -27.896 1.035 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.094 -29.277 2.837 1.00 0.00 H new ATOM 0 HG21 THR A 7 15.380 -25.891 2.187 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.518 -26.187 0.658 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.758 -26.623 2.207 1.00 0.00 H new ATOM 124 N ASP A 8 14.509 -28.176 -1.464 1.00 0.00 N ATOM 125 CA ASP A 8 14.029 -27.517 -2.673 1.00 0.00 C ATOM 126 C ASP A 8 12.638 -28.016 -3.033 1.00 0.00 C ATOM 127 O ASP A 8 11.880 -27.339 -3.728 1.00 0.00 O ATOM 128 CB ASP A 8 14.991 -27.781 -3.833 1.00 0.00 C ATOM 129 CG ASP A 8 16.323 -27.086 -3.573 1.00 0.00 C ATOM 130 OD1 ASP A 8 16.668 -26.924 -2.414 1.00 0.00 O ATOM 131 OD2 ASP A 8 16.979 -26.725 -4.537 1.00 0.00 O ATOM 0 H ASP A 8 15.429 -28.608 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 8 13.980 -26.444 -2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 8 15.147 -28.853 -3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.558 -27.419 -4.765 1.00 0.00 H new ATOM 136 N TYR A 9 12.314 -29.201 -2.546 1.00 0.00 N ATOM 137 CA TYR A 9 11.009 -29.799 -2.806 1.00 0.00 C ATOM 138 C TYR A 9 9.994 -29.333 -1.766 1.00 0.00 C ATOM 139 O TYR A 9 8.825 -29.109 -2.081 1.00 0.00 O ATOM 140 CB TYR A 9 11.114 -31.324 -2.773 1.00 0.00 C ATOM 141 CG TYR A 9 10.295 -31.908 -3.899 1.00 0.00 C ATOM 142 CD1 TYR A 9 10.811 -31.930 -5.200 1.00 0.00 C ATOM 143 CD2 TYR A 9 9.019 -32.424 -3.643 1.00 0.00 C ATOM 144 CE1 TYR A 9 10.051 -32.468 -6.245 1.00 0.00 C ATOM 145 CE2 TYR A 9 8.260 -32.963 -4.689 1.00 0.00 C ATOM 146 CZ TYR A 9 8.776 -32.985 -5.990 1.00 0.00 C ATOM 147 OH TYR A 9 8.027 -33.514 -7.021 1.00 0.00 O ATOM 0 H TYR A 9 12.933 -29.770 -1.969 1.00 0.00 H new ATOM 0 HA TYR A 9 10.675 -29.483 -3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 9 12.156 -31.630 -2.870 1.00 0.00 H new ATOM 0 HB3 TYR A 9 10.758 -31.703 -1.815 1.00 0.00 H new ATOM 0 HD1 TYR A 9 11.795 -31.532 -5.397 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.620 -32.406 -2.639 1.00 0.00 H new ATOM 0 HE1 TYR A 9 10.449 -32.484 -7.249 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.276 -33.362 -4.492 1.00 0.00 H new ATOM 0 HH TYR A 9 7.167 -33.830 -6.672 1.00 0.00 H new ATOM 157 N LEU A 10 10.450 -29.194 -0.526 1.00 0.00 N ATOM 158 CA LEU A 10 9.577 -28.758 0.555 1.00 0.00 C ATOM 159 C LEU A 10 9.469 -27.237 0.577 1.00 0.00 C ATOM 160 O LEU A 10 9.479 -26.619 1.641 1.00 0.00 O ATOM 161 CB LEU A 10 10.123 -29.256 1.895 1.00 0.00 C ATOM 162 CG LEU A 10 9.022 -29.186 2.955 1.00 0.00 C ATOM 163 CD1 LEU A 10 8.220 -30.488 2.945 1.00 0.00 C ATOM 164 CD2 LEU A 10 9.655 -28.988 4.334 1.00 0.00 C ATOM 0 H LEU A 10 11.414 -29.376 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 10 8.584 -29.176 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.481 -30.281 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.975 -28.649 2.200 1.00 0.00 H new ATOM 0 HG LEU A 10 8.359 -28.350 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.436 -30.438 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.769 -30.630 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.883 -31.325 3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.872 -28.938 5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.318 -29.825 4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.227 -28.060 4.342 1.00 0.00 H new ATOM 272 N LYS A 18 3.445 -13.809 -5.112 1.00 0.00 N ATOM 273 CA LYS A 18 2.875 -12.754 -5.938 1.00 0.00 C ATOM 274 C LYS A 18 1.376 -12.708 -5.736 1.00 0.00 C ATOM 275 O LYS A 18 0.749 -11.652 -5.811 1.00 0.00 O ATOM 276 CB LYS A 18 3.193 -13.009 -7.413 1.00 0.00 C ATOM 277 CG LYS A 18 2.851 -11.765 -8.234 1.00 0.00 C ATOM 278 CD LYS A 18 3.319 -11.963 -9.677 1.00 0.00 C ATOM 279 CE LYS A 18 3.215 -10.637 -10.435 1.00 0.00 C ATOM 280 NZ LYS A 18 4.143 -9.643 -9.827 1.00 0.00 N ATOM 0 HA LYS A 18 3.310 -11.798 -5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.248 -13.256 -7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.623 -13.864 -7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.776 -11.584 -8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.331 -10.887 -7.802 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.348 -12.322 -9.691 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.710 -12.723 -10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.463 -10.786 -11.486 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.191 -10.264 -10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.413 -8.938 -10.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.670 -9.167 -9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.995 -10.129 -9.481 1.00 0.00 H new ATOM 294 N ILE A 19 0.817 -13.875 -5.466 1.00 0.00 N ATOM 295 CA ILE A 19 -0.611 -13.994 -5.235 1.00 0.00 C ATOM 296 C ILE A 19 -0.927 -13.599 -3.803 1.00 0.00 C ATOM 297 O ILE A 19 -2.073 -13.299 -3.467 1.00 0.00 O ATOM 298 CB ILE A 19 -1.065 -15.431 -5.483 1.00 0.00 C ATOM 299 CG1 ILE A 19 -0.877 -15.778 -6.961 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.542 -15.571 -5.110 1.00 0.00 C ATOM 301 CD1 ILE A 19 -1.179 -17.261 -7.181 1.00 0.00 C ATOM 0 H ILE A 19 1.331 -14.754 -5.401 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.140 -13.333 -5.921 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.470 -16.110 -4.872 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.538 -15.167 -7.576 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.144 -15.554 -7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.866 -16.596 -5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.676 -15.325 -4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.137 -14.892 -5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.045 -17.507 -8.234 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.500 -17.864 -6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.208 -17.470 -6.888 1.00 0.00 H new ATOM 313 N ILE A 20 0.102 -13.598 -2.960 1.00 0.00 N ATOM 314 CA ILE A 20 -0.089 -13.231 -1.558 1.00 0.00 C ATOM 315 C ILE A 20 0.403 -11.811 -1.295 1.00 0.00 C ATOM 316 O ILE A 20 -0.217 -11.062 -0.539 1.00 0.00 O ATOM 317 CB ILE A 20 0.648 -14.209 -0.643 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.198 -13.985 0.803 1.00 0.00 C ATOM 319 CG2 ILE A 20 2.154 -13.974 -0.748 1.00 0.00 C ATOM 320 CD1 ILE A 20 0.698 -15.136 1.679 1.00 0.00 C ATOM 0 H ILE A 20 1.059 -13.842 -3.215 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.157 -13.277 -1.343 1.00 0.00 H new ATOM 0 HB ILE A 20 0.420 -15.231 -0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.588 -13.037 1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.889 -13.923 0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.678 -14.672 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.476 -14.130 -1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.385 -12.952 -0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.377 -14.976 2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.287 -16.077 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.787 -15.176 1.640 1.00 0.00 H new ATOM 332 N ILE A 21 1.514 -11.443 -1.922 1.00 0.00 N ATOM 333 CA ILE A 21 2.067 -10.105 -1.742 1.00 0.00 C ATOM 334 C ILE A 21 1.437 -9.130 -2.733 1.00 0.00 C ATOM 335 O ILE A 21 1.376 -7.926 -2.481 1.00 0.00 O ATOM 336 CB ILE A 21 3.584 -10.130 -1.939 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.220 -8.994 -1.133 1.00 0.00 C ATOM 338 CG2 ILE A 21 3.913 -9.947 -3.422 1.00 0.00 C ATOM 339 CD1 ILE A 21 4.552 -9.490 0.275 1.00 0.00 C ATOM 0 H ILE A 21 2.045 -12.044 -2.553 1.00 0.00 H new ATOM 0 HA ILE A 21 1.842 -9.774 -0.728 1.00 0.00 H new ATOM 0 HB ILE A 21 3.978 -11.087 -1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.125 -8.644 -1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.538 -8.146 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.994 -9.965 -3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.460 -10.754 -3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.519 -8.991 -3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.005 -8.681 0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.638 -9.818 0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.250 -10.325 0.212 1.00 0.00 H new ATOM 351 N GLY A 22 0.967 -9.660 -3.858 1.00 0.00 N ATOM 352 CA GLY A 22 0.343 -8.828 -4.880 1.00 0.00 C ATOM 353 C GLY A 22 -0.605 -7.814 -4.250 1.00 0.00 C ATOM 354 O GLY A 22 -0.510 -6.614 -4.511 1.00 0.00 O ATOM 0 H GLY A 22 1.006 -10.654 -4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.112 -8.307 -5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.204 -9.457 -5.582 1.00 0.00 H new ATOM 358 N PRO A 23 -1.506 -8.276 -3.428 1.00 0.00 N ATOM 359 CA PRO A 23 -2.494 -7.395 -2.742 1.00 0.00 C ATOM 360 C PRO A 23 -1.809 -6.256 -1.993 1.00 0.00 C ATOM 361 O PRO A 23 -2.338 -5.147 -1.914 1.00 0.00 O ATOM 362 CB PRO A 23 -3.218 -8.333 -1.771 1.00 0.00 C ATOM 363 CG PRO A 23 -3.009 -9.710 -2.308 1.00 0.00 C ATOM 364 CD PRO A 23 -1.683 -9.689 -3.068 1.00 0.00 C ATOM 0 HA PRO A 23 -3.171 -6.911 -3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.814 -8.240 -0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.280 -8.093 -1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.980 -10.440 -1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.828 -9.997 -2.967 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.862 -10.050 -2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.719 -10.325 -3.952 1.00 0.00 H new ATOM 372 N LEU A 24 -0.628 -6.536 -1.450 1.00 0.00 N ATOM 373 CA LEU A 24 0.121 -5.523 -0.718 1.00 0.00 C ATOM 374 C LEU A 24 0.806 -4.574 -1.685 1.00 0.00 C ATOM 375 O LEU A 24 0.818 -3.361 -1.477 1.00 0.00 O ATOM 376 CB LEU A 24 1.162 -6.186 0.186 1.00 0.00 C ATOM 377 CG LEU A 24 0.555 -6.442 1.567 1.00 0.00 C ATOM 378 CD1 LEU A 24 -0.566 -7.475 1.451 1.00 0.00 C ATOM 379 CD2 LEU A 24 1.640 -6.972 2.508 1.00 0.00 C ATOM 0 H LEU A 24 -0.173 -7.448 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.575 -4.956 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.496 -7.125 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.040 -5.546 0.277 1.00 0.00 H new ATOM 0 HG LEU A 24 0.150 -5.511 1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.997 -7.656 2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.339 -7.100 0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.163 -8.407 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.210 -7.155 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.044 -7.903 2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.440 -6.236 2.593 1.00 0.00 H new ATOM 391 N ILE A 25 1.352 -5.127 -2.758 1.00 0.00 N ATOM 392 CA ILE A 25 2.007 -4.308 -3.760 1.00 0.00 C ATOM 393 C ILE A 25 1.071 -3.174 -4.153 1.00 0.00 C ATOM 394 O ILE A 25 1.508 -2.069 -4.475 1.00 0.00 O ATOM 395 CB ILE A 25 2.356 -5.147 -4.989 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.586 -6.007 -4.684 1.00 0.00 C ATOM 397 CG2 ILE A 25 2.662 -4.221 -6.168 1.00 0.00 C ATOM 398 CD1 ILE A 25 4.016 -6.757 -5.947 1.00 0.00 C ATOM 0 H ILE A 25 1.354 -6.128 -2.954 1.00 0.00 H new ATOM 0 HA ILE A 25 2.932 -3.902 -3.350 1.00 0.00 H new ATOM 0 HB ILE A 25 1.514 -5.791 -5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.402 -5.379 -4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.358 -6.716 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.911 -4.819 -7.045 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.788 -3.606 -6.384 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.505 -3.578 -5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.891 -7.368 -5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.202 -7.398 -6.285 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.262 -6.040 -6.730 1.00 0.00 H new ATOM 410 N PHE A 26 -0.227 -3.465 -4.113 1.00 0.00 N ATOM 411 CA PHE A 26 -1.237 -2.472 -4.458 1.00 0.00 C ATOM 412 C PHE A 26 -1.242 -1.346 -3.429 1.00 0.00 C ATOM 413 O PHE A 26 -1.436 -0.179 -3.768 1.00 0.00 O ATOM 414 CB PHE A 26 -2.619 -3.130 -4.507 1.00 0.00 C ATOM 415 CG PHE A 26 -3.679 -2.069 -4.676 1.00 0.00 C ATOM 416 CD1 PHE A 26 -4.072 -1.667 -5.959 1.00 0.00 C ATOM 417 CD2 PHE A 26 -4.272 -1.488 -3.548 1.00 0.00 C ATOM 418 CE1 PHE A 26 -5.057 -0.684 -6.114 1.00 0.00 C ATOM 419 CE2 PHE A 26 -5.258 -0.506 -3.704 1.00 0.00 C ATOM 420 CZ PHE A 26 -5.650 -0.104 -4.986 1.00 0.00 C ATOM 0 H PHE A 26 -0.601 -4.376 -3.846 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.000 -2.057 -5.438 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.666 -3.840 -5.333 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.797 -3.694 -3.591 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.615 -2.115 -6.829 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.969 -1.797 -2.559 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.359 -0.373 -7.103 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.716 -0.059 -2.834 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.410 0.654 -5.105 1.00 0.00 H new ATOM 430 N VAL A 27 -1.019 -1.709 -2.169 1.00 0.00 N ATOM 431 CA VAL A 27 -0.990 -0.727 -1.093 1.00 0.00 C ATOM 432 C VAL A 27 0.267 0.130 -1.197 1.00 0.00 C ATOM 433 O VAL A 27 0.244 1.325 -0.900 1.00 0.00 O ATOM 434 CB VAL A 27 -1.019 -1.438 0.261 1.00 0.00 C ATOM 435 CG1 VAL A 27 -0.962 -0.401 1.385 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.311 -2.251 0.380 1.00 0.00 C ATOM 0 H VAL A 27 -0.857 -2.671 -1.870 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.866 -0.084 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.160 -2.105 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.983 -0.908 2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.043 0.178 1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.820 0.267 1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.334 -2.759 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.169 -1.584 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.351 -2.990 -0.420 1.00 0.00 H new ATOM 446 N PHE A 28 1.361 -0.492 -1.625 1.00 0.00 N ATOM 447 CA PHE A 28 2.627 0.217 -1.773 1.00 0.00 C ATOM 448 C PHE A 28 2.555 1.185 -2.948 1.00 0.00 C ATOM 449 O PHE A 28 2.995 2.331 -2.852 1.00 0.00 O ATOM 450 CB PHE A 28 3.763 -0.786 -2.004 1.00 0.00 C ATOM 451 CG PHE A 28 4.868 -0.547 -1.002 1.00 0.00 C ATOM 452 CD1 PHE A 28 4.638 -0.769 0.361 1.00 0.00 C ATOM 453 CD2 PHE A 28 6.123 -0.107 -1.438 1.00 0.00 C ATOM 454 CE1 PHE A 28 5.665 -0.551 1.288 1.00 0.00 C ATOM 455 CE2 PHE A 28 7.150 0.111 -0.512 1.00 0.00 C ATOM 456 CZ PHE A 28 6.920 -0.110 0.852 1.00 0.00 C ATOM 0 H PHE A 28 1.397 -1.480 -1.874 1.00 0.00 H new ATOM 0 HA PHE A 28 2.821 0.780 -0.860 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.386 -1.804 -1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.150 -0.684 -3.018 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.669 -1.108 0.697 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.299 0.064 -2.490 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.489 -0.723 2.340 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.119 0.449 -0.849 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.711 0.060 1.567 1.00 0.00 H new ATOM 466 N LEU A 29 1.993 0.715 -4.057 1.00 0.00 N ATOM 467 CA LEU A 29 1.863 1.546 -5.245 1.00 0.00 C ATOM 468 C LEU A 29 0.908 2.703 -4.975 1.00 0.00 C ATOM 469 O LEU A 29 1.137 3.827 -5.419 1.00 0.00 O ATOM 470 CB LEU A 29 1.339 0.709 -6.414 1.00 0.00 C ATOM 471 CG LEU A 29 2.212 0.952 -7.646 1.00 0.00 C ATOM 472 CD1 LEU A 29 1.589 0.257 -8.859 1.00 0.00 C ATOM 473 CD2 LEU A 29 2.307 2.456 -7.911 1.00 0.00 C ATOM 0 H LEU A 29 1.623 -0.230 -4.156 1.00 0.00 H new ATOM 0 HA LEU A 29 2.844 1.946 -5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.349 -0.349 -6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.304 0.974 -6.630 1.00 0.00 H new ATOM 0 HG LEU A 29 3.210 0.549 -7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.211 0.430 -9.737 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.520 -0.814 -8.669 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.592 0.659 -9.036 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.929 2.632 -8.789 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.309 2.858 -8.086 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.751 2.950 -7.047 1.00 0.00 H new ATOM 485 N PHE A 30 -0.160 2.417 -4.237 1.00 0.00 N ATOM 486 CA PHE A 30 -1.140 3.444 -3.907 1.00 0.00 C ATOM 487 C PHE A 30 -0.514 4.493 -2.998 1.00 0.00 C ATOM 488 O PHE A 30 -0.764 5.689 -3.146 1.00 0.00 O ATOM 489 CB PHE A 30 -2.344 2.814 -3.206 1.00 0.00 C ATOM 490 CG PHE A 30 -3.576 3.635 -3.495 1.00 0.00 C ATOM 491 CD1 PHE A 30 -4.181 3.567 -4.754 1.00 0.00 C ATOM 492 CD2 PHE A 30 -4.112 4.466 -2.504 1.00 0.00 C ATOM 493 CE1 PHE A 30 -5.323 4.330 -5.025 1.00 0.00 C ATOM 494 CE2 PHE A 30 -5.255 5.229 -2.774 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.860 5.161 -4.034 1.00 0.00 C ATOM 0 H PHE A 30 -0.367 1.492 -3.860 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.470 3.920 -4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.486 1.790 -3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.169 2.766 -2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.767 2.925 -5.518 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.644 4.519 -1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.790 4.278 -5.998 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.669 5.870 -2.010 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.741 5.750 -4.242 1.00 0.00 H new ATOM 505 N SER A 31 0.305 4.033 -2.059 1.00 0.00 N ATOM 506 CA SER A 31 0.971 4.938 -1.130 1.00 0.00 C ATOM 507 C SER A 31 1.992 5.789 -1.869 1.00 0.00 C ATOM 508 O SER A 31 2.167 6.972 -1.576 1.00 0.00 O ATOM 509 CB SER A 31 1.669 4.139 -0.031 1.00 0.00 C ATOM 510 OG SER A 31 2.845 4.828 0.374 1.00 0.00 O ATOM 0 H SER A 31 0.523 3.046 -1.921 1.00 0.00 H new ATOM 0 HA SER A 31 0.222 5.590 -0.680 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.000 4.006 0.819 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.924 3.143 -0.395 1.00 0.00 H new ATOM 0 HG SER A 31 3.295 4.319 1.080 1.00 0.00 H new ATOM 516 N VAL A 32 2.660 5.172 -2.832 1.00 0.00 N ATOM 517 CA VAL A 32 3.668 5.867 -3.623 1.00 0.00 C ATOM 518 C VAL A 32 3.018 6.914 -4.524 1.00 0.00 C ATOM 519 O VAL A 32 3.549 8.010 -4.700 1.00 0.00 O ATOM 520 CB VAL A 32 4.440 4.864 -4.481 1.00 0.00 C ATOM 521 CG1 VAL A 32 5.354 5.618 -5.447 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.286 3.964 -3.578 1.00 0.00 C ATOM 0 H VAL A 32 2.524 4.193 -3.085 1.00 0.00 H new ATOM 0 HA VAL A 32 4.355 6.368 -2.941 1.00 0.00 H new ATOM 0 HB VAL A 32 3.737 4.253 -5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.905 4.904 -6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.753 6.260 -6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.057 6.229 -4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.836 3.249 -4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.990 4.575 -3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.636 3.426 -2.888 1.00 0.00 H new ATOM 532 N VAL A 33 1.867 6.568 -5.092 1.00 0.00 N ATOM 533 CA VAL A 33 1.156 7.487 -5.974 1.00 0.00 C ATOM 534 C VAL A 33 0.698 8.723 -5.204 1.00 0.00 C ATOM 535 O VAL A 33 1.038 9.850 -5.563 1.00 0.00 O ATOM 536 CB VAL A 33 -0.057 6.784 -6.588 1.00 0.00 C ATOM 537 CG1 VAL A 33 -0.873 7.789 -7.401 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.421 5.657 -7.505 1.00 0.00 C ATOM 0 H VAL A 33 1.410 5.666 -4.959 1.00 0.00 H new ATOM 0 HA VAL A 33 1.834 7.800 -6.768 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.678 6.371 -5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.737 7.288 -7.838 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.212 8.594 -6.749 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.253 8.203 -8.196 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.441 5.155 -7.944 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.042 6.072 -8.299 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.004 4.940 -6.927 1.00 0.00 H new ATOM 548 N ILE A 34 -0.073 8.503 -4.143 1.00 0.00 N ATOM 549 CA ILE A 34 -0.569 9.605 -3.325 1.00 0.00 C ATOM 550 C ILE A 34 0.583 10.317 -2.635 1.00 0.00 C ATOM 551 O ILE A 34 0.449 11.456 -2.188 1.00 0.00 O ATOM 552 CB ILE A 34 -1.554 9.084 -2.278 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.466 10.228 -1.827 1.00 0.00 C ATOM 554 CG2 ILE A 34 -0.781 8.544 -1.074 1.00 0.00 C ATOM 555 CD1 ILE A 34 -3.416 9.726 -0.737 1.00 0.00 C ATOM 0 H ILE A 34 -0.366 7.577 -3.831 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.081 10.313 -3.977 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.156 8.285 -2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.867 11.057 -1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.037 10.608 -2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.483 8.173 -0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.129 7.732 -1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.179 9.342 -0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.065 10.541 -0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.024 8.912 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.837 9.367 0.114 1.00 0.00 H new ATOM 567 N GLY A 35 1.711 9.631 -2.548 1.00 0.00 N ATOM 568 CA GLY A 35 2.888 10.193 -1.902 1.00 0.00 C ATOM 569 C GLY A 35 3.548 11.247 -2.774 1.00 0.00 C ATOM 570 O GLY A 35 3.722 12.391 -2.357 1.00 0.00 O ATOM 0 H GLY A 35 1.837 8.688 -2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.605 10.634 -0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.602 9.398 -1.687 1.00 0.00 H new ATOM 574 N SER A 36 3.903 10.857 -3.990 1.00 0.00 N ATOM 575 CA SER A 36 4.530 11.788 -4.911 1.00 0.00 C ATOM 576 C SER A 36 3.547 12.892 -5.238 1.00 0.00 C ATOM 577 O SER A 36 3.931 14.016 -5.560 1.00 0.00 O ATOM 578 CB SER A 36 4.954 11.067 -6.191 1.00 0.00 C ATOM 579 OG SER A 36 6.188 11.607 -6.647 1.00 0.00 O ATOM 0 H SER A 36 3.769 9.915 -4.356 1.00 0.00 H new ATOM 0 HA SER A 36 5.420 12.213 -4.447 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.059 9.999 -6.003 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.188 11.182 -6.958 1.00 0.00 H new ATOM 0 HG SER A 36 6.464 11.146 -7.467 1.00 0.00 H new ATOM 585 N ILE A 37 2.269 12.559 -5.131 1.00 0.00 N ATOM 586 CA ILE A 37 1.216 13.533 -5.396 1.00 0.00 C ATOM 587 C ILE A 37 1.115 14.505 -4.231 1.00 0.00 C ATOM 588 O ILE A 37 0.919 15.705 -4.418 1.00 0.00 O ATOM 589 CB ILE A 37 -0.124 12.829 -5.593 1.00 0.00 C ATOM 590 CG1 ILE A 37 -0.177 12.209 -6.992 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.260 13.842 -5.442 1.00 0.00 C ATOM 592 CD1 ILE A 37 -1.444 11.365 -7.126 1.00 0.00 C ATOM 0 H ILE A 37 1.936 11.632 -4.865 1.00 0.00 H new ATOM 0 HA ILE A 37 1.463 14.078 -6.307 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.234 12.045 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.167 12.993 -7.750 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.705 11.591 -7.161 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.217 13.339 -5.583 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.225 14.283 -4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.149 14.627 -6.190 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.483 10.923 -8.122 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.434 10.573 -6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.319 11.996 -6.975 1.00 0.00 H new ATOM 604 N TYR A 38 1.249 13.966 -3.023 1.00 0.00 N ATOM 605 CA TYR A 38 1.173 14.781 -1.818 1.00 0.00 C ATOM 606 C TYR A 38 2.017 16.042 -1.969 1.00 0.00 C ATOM 607 O TYR A 38 1.683 17.092 -1.422 1.00 0.00 O ATOM 608 CB TYR A 38 1.664 13.979 -0.611 1.00 0.00 C ATOM 609 CG TYR A 38 0.786 14.277 0.580 1.00 0.00 C ATOM 610 CD1 TYR A 38 -0.592 14.041 0.511 1.00 0.00 C ATOM 611 CD2 TYR A 38 1.350 14.791 1.753 1.00 0.00 C ATOM 612 CE1 TYR A 38 -1.406 14.318 1.615 1.00 0.00 C ATOM 613 CE2 TYR A 38 0.536 15.069 2.858 1.00 0.00 C ATOM 614 CZ TYR A 38 -0.842 14.832 2.789 1.00 0.00 C ATOM 615 OH TYR A 38 -1.644 15.105 3.878 1.00 0.00 O ATOM 0 H TYR A 38 1.410 12.973 -2.854 1.00 0.00 H new ATOM 0 HA TYR A 38 0.133 15.069 -1.664 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.641 12.913 -0.836 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.699 14.236 -0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.027 13.645 -0.395 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.413 14.973 1.806 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.469 14.135 1.562 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.971 15.466 3.763 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.094 15.455 4.610 1.00 0.00 H new ATOM 625 N LEU A 39 3.111 15.931 -2.717 1.00 0.00 N ATOM 626 CA LEU A 39 3.990 17.072 -2.934 1.00 0.00 C ATOM 627 C LEU A 39 3.179 18.290 -3.364 1.00 0.00 C ATOM 628 O LEU A 39 3.332 19.379 -2.808 1.00 0.00 O ATOM 629 CB LEU A 39 5.026 16.739 -4.009 1.00 0.00 C ATOM 630 CG LEU A 39 6.400 17.239 -3.565 1.00 0.00 C ATOM 631 CD1 LEU A 39 6.959 16.312 -2.485 1.00 0.00 C ATOM 632 CD2 LEU A 39 7.348 17.253 -4.766 1.00 0.00 C ATOM 0 H LEU A 39 3.407 15.071 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 39 4.502 17.298 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.056 15.663 -4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.746 17.203 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 39 6.306 18.247 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.939 16.670 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.284 16.302 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.053 15.302 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.329 17.609 -4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.440 16.244 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.951 17.915 -5.535 1.00 0.00 H new