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 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 76:sc= 0.0606 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -156:sc= -0.0395 (180deg=-0.369) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -17:sc= 0.193 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 18.696 -37.348 1.243 1.00 0.00 N ATOM 19 CA THR A 2 18.319 -36.451 0.156 1.00 0.00 C ATOM 20 C THR A 2 16.886 -35.965 0.339 1.00 0.00 C ATOM 21 O THR A 2 16.426 -35.075 -0.377 1.00 0.00 O ATOM 22 CB THR A 2 18.450 -37.173 -1.187 1.00 0.00 C ATOM 23 OG1 THR A 2 18.698 -36.219 -2.210 1.00 0.00 O ATOM 24 CG2 THR A 2 17.157 -37.929 -1.493 1.00 0.00 C ATOM 0 HA THR A 2 18.987 -35.590 0.170 1.00 0.00 H new ATOM 0 HB THR A 2 19.277 -37.882 -1.140 1.00 0.00 H new ATOM 0 HG1 THR A 2 18.784 -36.678 -3.072 1.00 0.00 H new ATOM 0 HG21 THR A 2 17.253 -38.442 -2.450 1.00 0.00 H new ATOM 0 HG22 THR A 2 16.968 -38.660 -0.707 1.00 0.00 H new ATOM 0 HG23 THR A 2 16.326 -37.225 -1.541 1.00 0.00 H new ATOM 32 N TYR A 3 16.183 -36.554 1.303 1.00 0.00 N ATOM 33 CA TYR A 3 14.803 -36.171 1.570 1.00 0.00 C ATOM 34 C TYR A 3 14.623 -34.666 1.407 1.00 0.00 C ATOM 35 O TYR A 3 13.595 -34.203 0.914 1.00 0.00 O ATOM 36 CB TYR A 3 14.409 -36.581 2.991 1.00 0.00 C ATOM 37 CG TYR A 3 12.930 -36.877 3.038 1.00 0.00 C ATOM 38 CD1 TYR A 3 12.007 -35.824 3.089 1.00 0.00 C ATOM 39 CD2 TYR A 3 12.480 -38.202 3.028 1.00 0.00 C ATOM 40 CE1 TYR A 3 10.635 -36.099 3.131 1.00 0.00 C ATOM 41 CE2 TYR A 3 11.108 -38.477 3.071 1.00 0.00 C ATOM 42 CZ TYR A 3 10.185 -37.425 3.122 1.00 0.00 C ATOM 43 OH TYR A 3 8.832 -37.695 3.163 1.00 0.00 O ATOM 0 H TYR A 3 16.544 -37.292 1.907 1.00 0.00 H new ATOM 0 HA TYR A 3 14.161 -36.683 0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 3 14.976 -37.460 3.298 1.00 0.00 H new ATOM 0 HB3 TYR A 3 14.653 -35.783 3.692 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.354 -34.801 3.096 1.00 0.00 H new ATOM 0 HD2 TYR A 3 13.192 -39.013 2.987 1.00 0.00 H new ATOM 0 HE1 TYR A 3 9.923 -35.288 3.170 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.762 -39.500 3.065 1.00 0.00 H new ATOM 0 HH TYR A 3 8.691 -38.665 3.149 1.00 0.00 H new ATOM 53 N PHE A 4 15.631 -33.908 1.826 1.00 0.00 N ATOM 54 CA PHE A 4 15.573 -32.454 1.722 1.00 0.00 C ATOM 55 C PHE A 4 14.969 -32.038 0.385 1.00 0.00 C ATOM 56 O PHE A 4 14.398 -30.953 0.262 1.00 0.00 O ATOM 57 CB PHE A 4 16.980 -31.863 1.860 1.00 0.00 C ATOM 58 CG PHE A 4 17.077 -31.074 3.145 1.00 0.00 C ATOM 59 CD1 PHE A 4 17.314 -31.736 4.355 1.00 0.00 C ATOM 60 CD2 PHE A 4 16.928 -29.682 3.125 1.00 0.00 C ATOM 61 CE1 PHE A 4 17.404 -31.004 5.546 1.00 0.00 C ATOM 62 CE2 PHE A 4 17.017 -28.951 4.315 1.00 0.00 C ATOM 63 CZ PHE A 4 17.255 -29.613 5.527 1.00 0.00 C ATOM 0 H PHE A 4 16.491 -34.272 2.237 1.00 0.00 H new ATOM 0 HA PHE A 4 14.942 -32.074 2.525 1.00 0.00 H new ATOM 0 HB2 PHE A 4 17.722 -32.661 1.855 1.00 0.00 H new ATOM 0 HB3 PHE A 4 17.199 -31.219 1.009 1.00 0.00 H new ATOM 0 HD1 PHE A 4 17.427 -32.810 4.371 1.00 0.00 H new ATOM 0 HD2 PHE A 4 16.744 -29.172 2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 4 17.589 -31.514 6.480 1.00 0.00 H new ATOM 0 HE2 PHE A 4 16.902 -27.877 4.299 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.323 -29.050 6.446 1.00 0.00 H new ATOM 73 N TYR A 5 15.097 -32.906 -0.614 1.00 0.00 N ATOM 74 CA TYR A 5 14.556 -32.615 -1.937 1.00 0.00 C ATOM 75 C TYR A 5 13.062 -32.915 -1.979 1.00 0.00 C ATOM 76 O TYR A 5 12.257 -32.058 -2.338 1.00 0.00 O ATOM 77 CB TYR A 5 15.278 -33.454 -2.996 1.00 0.00 C ATOM 78 CG TYR A 5 15.596 -32.589 -4.192 1.00 0.00 C ATOM 79 CD1 TYR A 5 14.611 -31.753 -4.731 1.00 0.00 C ATOM 80 CD2 TYR A 5 16.874 -32.623 -4.762 1.00 0.00 C ATOM 81 CE1 TYR A 5 14.903 -30.950 -5.839 1.00 0.00 C ATOM 82 CE2 TYR A 5 17.167 -31.819 -5.871 1.00 0.00 C ATOM 83 CZ TYR A 5 16.182 -30.983 -6.410 1.00 0.00 C ATOM 84 OH TYR A 5 16.470 -30.192 -7.503 1.00 0.00 O ATOM 0 H TYR A 5 15.566 -33.808 -0.534 1.00 0.00 H new ATOM 0 HA TYR A 5 14.711 -31.557 -2.148 1.00 0.00 H new ATOM 0 HB2 TYR A 5 16.196 -33.871 -2.581 1.00 0.00 H new ATOM 0 HB3 TYR A 5 14.653 -34.295 -3.298 1.00 0.00 H new ATOM 0 HD1 TYR A 5 13.625 -31.728 -4.291 1.00 0.00 H new ATOM 0 HD2 TYR A 5 17.634 -33.269 -4.347 1.00 0.00 H new ATOM 0 HE1 TYR A 5 14.143 -30.305 -6.254 1.00 0.00 H new ATOM 0 HE2 TYR A 5 18.153 -31.844 -6.310 1.00 0.00 H new ATOM 0 HH TYR A 5 17.401 -30.335 -7.774 1.00 0.00 H new ATOM 94 N VAL A 6 12.698 -34.138 -1.603 1.00 0.00 N ATOM 95 CA VAL A 6 11.296 -34.538 -1.598 1.00 0.00 C ATOM 96 C VAL A 6 10.467 -33.553 -0.781 1.00 0.00 C ATOM 97 O VAL A 6 9.266 -33.403 -1.002 1.00 0.00 O ATOM 98 CB VAL A 6 11.153 -35.942 -1.007 1.00 0.00 C ATOM 99 CG1 VAL A 6 9.673 -36.251 -0.772 1.00 0.00 C ATOM 100 CG2 VAL A 6 11.737 -36.966 -1.983 1.00 0.00 C ATOM 0 H VAL A 6 13.349 -34.863 -1.300 1.00 0.00 H new ATOM 0 HA VAL A 6 10.933 -34.541 -2.626 1.00 0.00 H new ATOM 0 HB VAL A 6 11.689 -35.993 -0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.573 -37.251 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.255 -35.522 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.136 -36.200 -1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.636 -37.967 -1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.200 -36.913 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.792 -36.748 -2.151 1.00 0.00 H new ATOM 110 N THR A 7 11.119 -32.881 0.162 1.00 0.00 N ATOM 111 CA THR A 7 10.433 -31.909 1.006 1.00 0.00 C ATOM 112 C THR A 7 10.010 -30.698 0.185 1.00 0.00 C ATOM 113 O THR A 7 8.949 -30.118 0.416 1.00 0.00 O ATOM 114 CB THR A 7 11.358 -31.462 2.140 1.00 0.00 C ATOM 115 OG1 THR A 7 11.810 -32.602 2.859 1.00 0.00 O ATOM 116 CG2 THR A 7 10.595 -30.531 3.085 1.00 0.00 C ATOM 0 H THR A 7 12.114 -32.990 0.360 1.00 0.00 H new ATOM 0 HA THR A 7 9.544 -32.379 1.426 1.00 0.00 H new ATOM 0 HB THR A 7 12.214 -30.932 1.723 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.505 -33.061 2.342 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.254 -30.213 3.893 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.249 -29.657 2.533 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.738 -31.059 3.503 1.00 0.00 H new ATOM 124 N ASP A 8 10.846 -30.323 -0.778 1.00 0.00 N ATOM 125 CA ASP A 8 10.548 -29.181 -1.632 1.00 0.00 C ATOM 126 C ASP A 8 9.193 -29.358 -2.299 1.00 0.00 C ATOM 127 O ASP A 8 8.562 -28.392 -2.724 1.00 0.00 O ATOM 128 CB ASP A 8 11.633 -29.023 -2.698 1.00 0.00 C ATOM 129 CG ASP A 8 12.933 -28.556 -2.051 1.00 0.00 C ATOM 130 OD1 ASP A 8 13.051 -28.685 -0.844 1.00 0.00 O ATOM 131 OD2 ASP A 8 13.793 -28.079 -2.773 1.00 0.00 O ATOM 0 H ASP A 8 11.729 -30.790 -0.985 1.00 0.00 H new ATOM 0 HA ASP A 8 10.522 -28.284 -1.013 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.792 -29.972 -3.211 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.313 -28.303 -3.451 1.00 0.00 H new ATOM 136 N TYR A 9 8.757 -30.605 -2.378 1.00 0.00 N ATOM 137 CA TYR A 9 7.471 -30.921 -2.989 1.00 0.00 C ATOM 138 C TYR A 9 6.333 -30.499 -2.065 1.00 0.00 C ATOM 139 O TYR A 9 5.259 -30.108 -2.524 1.00 0.00 O ATOM 140 CB TYR A 9 7.377 -32.423 -3.265 1.00 0.00 C ATOM 141 CG TYR A 9 6.645 -32.652 -4.567 1.00 0.00 C ATOM 142 CD1 TYR A 9 7.260 -32.328 -5.782 1.00 0.00 C ATOM 143 CD2 TYR A 9 5.352 -33.188 -4.557 1.00 0.00 C ATOM 144 CE1 TYR A 9 6.582 -32.541 -6.988 1.00 0.00 C ATOM 145 CE2 TYR A 9 4.674 -33.401 -5.764 1.00 0.00 C ATOM 146 CZ TYR A 9 5.289 -33.078 -6.979 1.00 0.00 C ATOM 147 OH TYR A 9 4.621 -33.287 -8.168 1.00 0.00 O ATOM 0 H TYR A 9 9.271 -31.414 -2.029 1.00 0.00 H new ATOM 0 HA TYR A 9 7.388 -30.377 -3.930 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.375 -32.857 -3.316 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.854 -32.921 -2.449 1.00 0.00 H new ATOM 0 HD1 TYR A 9 8.257 -31.914 -5.789 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.877 -33.437 -3.619 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.056 -32.291 -7.926 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.676 -33.815 -5.757 1.00 0.00 H new ATOM 0 HH TYR A 9 3.736 -33.666 -7.984 1.00 0.00 H new ATOM 157 N LEU A 10 6.580 -30.574 -0.762 1.00 0.00 N ATOM 158 CA LEU A 10 5.573 -30.192 0.219 1.00 0.00 C ATOM 159 C LEU A 10 5.669 -28.700 0.521 1.00 0.00 C ATOM 160 O LEU A 10 5.479 -28.271 1.659 1.00 0.00 O ATOM 161 CB LEU A 10 5.766 -30.993 1.509 1.00 0.00 C ATOM 162 CG LEU A 10 5.318 -32.438 1.284 1.00 0.00 C ATOM 163 CD1 LEU A 10 6.371 -33.180 0.455 1.00 0.00 C ATOM 164 CD2 LEU A 10 5.150 -33.136 2.637 1.00 0.00 C ATOM 0 H LEU A 10 7.463 -30.894 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 10 4.587 -30.408 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.813 -30.969 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.190 -30.544 2.318 1.00 0.00 H new ATOM 0 HG LEU A 10 4.368 -32.443 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.050 -34.209 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.491 -32.684 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.322 -33.175 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.831 -34.166 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.100 -33.129 3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.399 -32.610 3.227 1.00 0.00 H new ATOM 272 N LYS A 18 3.069 -14.244 -5.052 1.00 0.00 N ATOM 273 CA LYS A 18 2.678 -13.170 -5.957 1.00 0.00 C ATOM 274 C LYS A 18 1.217 -12.840 -5.738 1.00 0.00 C ATOM 275 O LYS A 18 0.781 -11.703 -5.922 1.00 0.00 O ATOM 276 CB LYS A 18 2.903 -13.597 -7.410 1.00 0.00 C ATOM 277 CG LYS A 18 3.757 -12.549 -8.129 1.00 0.00 C ATOM 278 CD LYS A 18 5.232 -12.780 -7.798 1.00 0.00 C ATOM 279 CE LYS A 18 6.105 -12.019 -8.799 1.00 0.00 C ATOM 280 NZ LYS A 18 6.057 -12.706 -10.120 1.00 0.00 N ATOM 0 HA LYS A 18 3.286 -12.288 -5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.398 -14.568 -7.442 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.945 -13.711 -7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.600 -12.613 -9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.457 -11.547 -7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.445 -12.443 -6.784 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.462 -13.845 -7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.753 -10.992 -8.898 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.133 -11.971 -8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.911 -12.471 -10.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.011 -13.735 -9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.215 -12.392 -10.644 1.00 0.00 H new ATOM 294 N ILE A 19 0.474 -13.849 -5.319 1.00 0.00 N ATOM 295 CA ILE A 19 -0.941 -13.683 -5.042 1.00 0.00 C ATOM 296 C ILE A 19 -1.105 -13.206 -3.609 1.00 0.00 C ATOM 297 O ILE A 19 -2.152 -12.682 -3.226 1.00 0.00 O ATOM 298 CB ILE A 19 -1.679 -15.007 -5.238 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.562 -15.443 -6.700 1.00 0.00 C ATOM 300 CG2 ILE A 19 -3.155 -14.830 -4.875 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.176 -16.833 -6.870 1.00 0.00 C ATOM 0 H ILE A 19 0.828 -14.793 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.364 -12.950 -5.729 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.237 -15.767 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.072 -14.728 -7.345 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.515 -15.457 -7.003 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.680 -15.775 -5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.239 -14.519 -3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.599 -14.069 -5.517 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.092 -17.143 -7.912 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.647 -17.545 -6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.227 -16.804 -6.584 1.00 0.00 H new ATOM 313 N ILE A 20 -0.049 -13.392 -2.823 1.00 0.00 N ATOM 314 CA ILE A 20 -0.064 -12.977 -1.424 1.00 0.00 C ATOM 315 C ILE A 20 0.455 -11.550 -1.284 1.00 0.00 C ATOM 316 O ILE A 20 -0.125 -10.735 -0.566 1.00 0.00 O ATOM 317 CB ILE A 20 0.802 -13.917 -0.585 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.045 -15.227 -0.344 1.00 0.00 C ATOM 319 CG2 ILE A 20 1.127 -13.254 0.755 1.00 0.00 C ATOM 320 CD1 ILE A 20 -0.781 -15.121 0.940 1.00 0.00 C ATOM 0 H ILE A 20 0.823 -13.825 -3.128 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.093 -13.018 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 20 1.731 -14.128 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.608 -15.441 -1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.749 -16.055 -0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.744 -13.925 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.667 -12.324 0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.201 -13.040 1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.317 -16.055 1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.119 -14.928 1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.497 -14.304 0.846 1.00 0.00 H new ATOM 332 N ILE A 21 1.554 -11.257 -1.971 1.00 0.00 N ATOM 333 CA ILE A 21 2.146 -9.926 -1.913 1.00 0.00 C ATOM 334 C ILE A 21 1.442 -8.976 -2.878 1.00 0.00 C ATOM 335 O ILE A 21 1.211 -7.811 -2.557 1.00 0.00 O ATOM 336 CB ILE A 21 3.633 -10.000 -2.261 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.334 -10.955 -1.293 1.00 0.00 C ATOM 338 CG2 ILE A 21 4.256 -8.608 -2.144 1.00 0.00 C ATOM 339 CD1 ILE A 21 5.667 -11.405 -1.893 1.00 0.00 C ATOM 0 H ILE A 21 2.049 -11.918 -2.570 1.00 0.00 H new ATOM 0 HA ILE A 21 2.027 -9.544 -0.899 1.00 0.00 H new ATOM 0 HB ILE A 21 3.750 -10.364 -3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.503 -10.461 -0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.701 -11.820 -1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.316 -8.662 -2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.756 -7.927 -2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.140 -8.242 -1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.166 -12.085 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.486 -11.916 -2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.300 -10.535 -2.066 1.00 0.00 H new ATOM 351 N GLY A 22 1.104 -9.480 -4.060 1.00 0.00 N ATOM 352 CA GLY A 22 0.425 -8.661 -5.058 1.00 0.00 C ATOM 353 C GLY A 22 -0.527 -7.676 -4.389 1.00 0.00 C ATOM 354 O GLY A 22 -0.429 -6.462 -4.588 1.00 0.00 O ATOM 0 H GLY A 22 1.286 -10.441 -4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.160 -8.118 -5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.129 -9.301 -5.745 1.00 0.00 H new ATOM 358 N PRO A 23 -1.437 -8.178 -3.600 1.00 0.00 N ATOM 359 CA PRO A 23 -2.429 -7.333 -2.878 1.00 0.00 C ATOM 360 C PRO A 23 -1.745 -6.235 -2.073 1.00 0.00 C ATOM 361 O PRO A 23 -2.307 -5.159 -1.865 1.00 0.00 O ATOM 362 CB PRO A 23 -3.158 -8.317 -1.959 1.00 0.00 C ATOM 363 CG PRO A 23 -2.946 -9.666 -2.563 1.00 0.00 C ATOM 364 CD PRO A 23 -1.616 -9.608 -3.312 1.00 0.00 C ATOM 0 HA PRO A 23 -3.105 -6.816 -3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.760 -8.275 -0.945 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.220 -8.079 -1.894 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.922 -10.436 -1.792 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.761 -9.919 -3.241 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.799 -9.999 -2.706 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.646 -10.200 -4.227 1.00 0.00 H new ATOM 372 N LEU A 24 -0.521 -6.511 -1.631 1.00 0.00 N ATOM 373 CA LEU A 24 0.237 -5.534 -0.860 1.00 0.00 C ATOM 374 C LEU A 24 0.882 -4.525 -1.796 1.00 0.00 C ATOM 375 O LEU A 24 0.915 -3.328 -1.511 1.00 0.00 O ATOM 376 CB LEU A 24 1.315 -6.233 -0.027 1.00 0.00 C ATOM 377 CG LEU A 24 1.180 -5.820 1.441 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.006 -6.562 2.088 1.00 0.00 C ATOM 379 CD2 LEU A 24 2.472 -6.165 2.185 1.00 0.00 C ATOM 0 H LEU A 24 -0.038 -7.395 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.445 -5.015 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.217 -7.314 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.305 -5.969 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 24 0.998 -4.747 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.083 -6.262 3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.915 -6.316 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.180 -7.637 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.379 -5.872 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.652 -7.238 2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.307 -5.631 1.731 1.00 0.00 H new ATOM 391 N ILE A 25 1.373 -5.014 -2.925 1.00 0.00 N ATOM 392 CA ILE A 25 1.989 -4.141 -3.908 1.00 0.00 C ATOM 393 C ILE A 25 1.055 -2.976 -4.191 1.00 0.00 C ATOM 394 O ILE A 25 1.495 -1.859 -4.465 1.00 0.00 O ATOM 395 CB ILE A 25 2.267 -4.910 -5.201 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.522 -5.770 -5.023 1.00 0.00 C ATOM 397 CG2 ILE A 25 2.483 -3.921 -6.346 1.00 0.00 C ATOM 398 CD1 ILE A 25 4.765 -4.929 -5.327 1.00 0.00 C ATOM 0 H ILE A 25 1.357 -6.001 -3.180 1.00 0.00 H new ATOM 0 HA ILE A 25 2.936 -3.768 -3.517 1.00 0.00 H new ATOM 0 HB ILE A 25 1.417 -5.552 -5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.571 -6.155 -4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.482 -6.633 -5.688 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.681 -4.469 -7.267 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.589 -3.310 -6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.333 -3.278 -6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.658 -5.541 -5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.716 -4.566 -6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.806 -4.081 -4.644 1.00 0.00 H new ATOM 410 N PHE A 26 -0.245 -3.252 -4.119 1.00 0.00 N ATOM 411 CA PHE A 26 -1.249 -2.223 -4.368 1.00 0.00 C ATOM 412 C PHE A 26 -1.220 -1.165 -3.269 1.00 0.00 C ATOM 413 O PHE A 26 -1.226 0.033 -3.550 1.00 0.00 O ATOM 414 CB PHE A 26 -2.640 -2.854 -4.435 1.00 0.00 C ATOM 415 CG PHE A 26 -3.052 -3.013 -5.879 1.00 0.00 C ATOM 416 CD1 PHE A 26 -3.207 -1.883 -6.692 1.00 0.00 C ATOM 417 CD2 PHE A 26 -3.277 -4.291 -6.407 1.00 0.00 C ATOM 418 CE1 PHE A 26 -3.587 -2.031 -8.031 1.00 0.00 C ATOM 419 CE2 PHE A 26 -3.657 -4.438 -7.746 1.00 0.00 C ATOM 420 CZ PHE A 26 -3.812 -3.308 -8.559 1.00 0.00 C ATOM 0 H PHE A 26 -0.625 -4.171 -3.892 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.021 -1.745 -5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.635 -3.824 -3.938 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.360 -2.229 -3.907 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.033 -0.898 -6.286 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.157 -5.163 -5.781 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.707 -1.159 -8.657 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.831 -5.423 -8.153 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.105 -3.422 -9.592 1.00 0.00 H new ATOM 430 N VAL A 27 -1.190 -1.615 -2.019 1.00 0.00 N ATOM 431 CA VAL A 27 -1.161 -0.693 -0.889 1.00 0.00 C ATOM 432 C VAL A 27 0.058 0.221 -0.983 1.00 0.00 C ATOM 433 O VAL A 27 -0.027 1.417 -0.705 1.00 0.00 O ATOM 434 CB VAL A 27 -1.119 -1.477 0.425 1.00 0.00 C ATOM 435 CG1 VAL A 27 -0.694 -0.548 1.563 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.511 -2.045 0.723 1.00 0.00 C ATOM 0 H VAL A 27 -1.185 -2.603 -1.764 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.063 -0.082 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.402 -2.293 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.665 -1.108 2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.295 -0.143 1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.410 0.269 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.483 -2.604 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.227 -1.227 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.814 -2.708 -0.087 1.00 0.00 H new ATOM 446 N PHE A 28 1.188 -0.351 -1.386 1.00 0.00 N ATOM 447 CA PHE A 28 2.417 0.419 -1.525 1.00 0.00 C ATOM 448 C PHE A 28 2.319 1.355 -2.722 1.00 0.00 C ATOM 449 O PHE A 28 2.864 2.459 -2.708 1.00 0.00 O ATOM 450 CB PHE A 28 3.609 -0.522 -1.705 1.00 0.00 C ATOM 451 CG PHE A 28 4.809 0.041 -0.984 1.00 0.00 C ATOM 452 CD1 PHE A 28 5.525 1.107 -1.543 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.207 -0.502 0.244 1.00 0.00 C ATOM 454 CE1 PHE A 28 6.637 1.630 -0.874 1.00 0.00 C ATOM 455 CE2 PHE A 28 6.320 0.022 0.912 1.00 0.00 C ATOM 456 CZ PHE A 28 7.035 1.087 0.353 1.00 0.00 C ATOM 0 H PHE A 28 1.277 -1.340 -1.621 1.00 0.00 H new ATOM 0 HA PHE A 28 2.561 1.011 -0.621 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.368 -1.511 -1.314 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.833 -0.644 -2.765 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.219 1.525 -2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.656 -1.324 0.675 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.188 2.453 -1.305 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.627 -0.396 1.859 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.894 1.490 0.868 1.00 0.00 H new ATOM 466 N LEU A 29 1.607 0.909 -3.750 1.00 0.00 N ATOM 467 CA LEU A 29 1.428 1.716 -4.948 1.00 0.00 C ATOM 468 C LEU A 29 0.636 2.969 -4.605 1.00 0.00 C ATOM 469 O LEU A 29 0.833 4.027 -5.202 1.00 0.00 O ATOM 470 CB LEU A 29 0.687 0.910 -6.019 1.00 0.00 C ATOM 471 CG LEU A 29 1.682 0.428 -7.081 1.00 0.00 C ATOM 472 CD1 LEU A 29 1.054 -0.699 -7.906 1.00 0.00 C ATOM 473 CD2 LEU A 29 2.040 1.593 -8.008 1.00 0.00 C ATOM 0 H LEU A 29 1.147 -0.001 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 29 2.406 2.001 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.184 0.057 -5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.085 1.525 -6.482 1.00 0.00 H new ATOM 0 HG LEU A 29 2.582 0.058 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.765 -1.038 -8.659 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.797 -1.530 -7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.153 -0.332 -8.397 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.748 1.252 -8.764 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.137 1.961 -8.496 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.491 2.396 -7.425 1.00 0.00 H new ATOM 485 N PHE A 30 -0.254 2.839 -3.627 1.00 0.00 N ATOM 486 CA PHE A 30 -1.068 3.964 -3.194 1.00 0.00 C ATOM 487 C PHE A 30 -0.216 4.956 -2.411 1.00 0.00 C ATOM 488 O PHE A 30 -0.370 6.169 -2.553 1.00 0.00 O ATOM 489 CB PHE A 30 -2.216 3.470 -2.312 1.00 0.00 C ATOM 490 CG PHE A 30 -3.471 3.344 -3.140 1.00 0.00 C ATOM 491 CD1 PHE A 30 -3.758 2.141 -3.796 1.00 0.00 C ATOM 492 CD2 PHE A 30 -4.349 4.429 -3.252 1.00 0.00 C ATOM 493 CE1 PHE A 30 -4.922 2.023 -4.564 1.00 0.00 C ATOM 494 CE2 PHE A 30 -5.513 4.311 -4.021 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.800 3.107 -4.676 1.00 0.00 C ATOM 0 H PHE A 30 -0.428 1.970 -3.123 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.477 4.459 -4.075 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.961 2.506 -1.871 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.380 4.164 -1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.081 1.304 -3.709 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.128 5.357 -2.745 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.143 1.095 -5.070 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.189 5.148 -4.109 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.699 3.015 -5.268 1.00 0.00 H new ATOM 505 N SER A 31 0.685 4.430 -1.588 1.00 0.00 N ATOM 506 CA SER A 31 1.560 5.281 -0.789 1.00 0.00 C ATOM 507 C SER A 31 2.543 6.025 -1.683 1.00 0.00 C ATOM 508 O SER A 31 2.864 7.189 -1.444 1.00 0.00 O ATOM 509 CB SER A 31 2.327 4.439 0.231 1.00 0.00 C ATOM 510 OG SER A 31 3.635 4.971 0.390 1.00 0.00 O ATOM 0 H SER A 31 0.828 3.429 -1.457 1.00 0.00 H new ATOM 0 HA SER A 31 0.943 6.009 -0.262 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.803 4.439 1.187 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.381 3.403 -0.103 1.00 0.00 H new ATOM 0 HG SER A 31 4.129 4.434 1.045 1.00 0.00 H new ATOM 516 N VAL A 32 3.015 5.340 -2.713 1.00 0.00 N ATOM 517 CA VAL A 32 3.964 5.937 -3.646 1.00 0.00 C ATOM 518 C VAL A 32 3.295 7.034 -4.470 1.00 0.00 C ATOM 519 O VAL A 32 3.841 8.125 -4.627 1.00 0.00 O ATOM 520 CB VAL A 32 4.523 4.866 -4.584 1.00 0.00 C ATOM 521 CG1 VAL A 32 5.115 5.534 -5.826 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.619 4.078 -3.862 1.00 0.00 C ATOM 0 H VAL A 32 2.760 4.376 -2.925 1.00 0.00 H new ATOM 0 HA VAL A 32 4.777 6.376 -3.069 1.00 0.00 H new ATOM 0 HB VAL A 32 3.721 4.190 -4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.513 4.771 -6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.337 6.098 -6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.917 6.210 -5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.018 3.314 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.420 4.756 -3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.201 3.602 -2.975 1.00 0.00 H new ATOM 532 N VAL A 33 2.111 6.735 -4.996 1.00 0.00 N ATOM 533 CA VAL A 33 1.381 7.705 -5.804 1.00 0.00 C ATOM 534 C VAL A 33 1.038 8.940 -4.979 1.00 0.00 C ATOM 535 O VAL A 33 1.406 10.059 -5.337 1.00 0.00 O ATOM 536 CB VAL A 33 0.094 7.075 -6.340 1.00 0.00 C ATOM 537 CG1 VAL A 33 -0.847 8.177 -6.830 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.431 6.140 -7.505 1.00 0.00 C ATOM 0 H VAL A 33 1.641 5.838 -4.879 1.00 0.00 H new ATOM 0 HA VAL A 33 2.015 8.004 -6.639 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.391 6.508 -5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.764 7.729 -7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.087 8.845 -6.003 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.361 8.743 -7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.485 5.691 -7.888 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.916 6.708 -8.299 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.103 5.355 -7.159 1.00 0.00 H new ATOM 548 N ILE A 34 0.332 8.730 -3.871 1.00 0.00 N ATOM 549 CA ILE A 34 -0.055 9.835 -3.001 1.00 0.00 C ATOM 550 C ILE A 34 1.174 10.547 -2.457 1.00 0.00 C ATOM 551 O ILE A 34 1.099 11.694 -2.016 1.00 0.00 O ATOM 552 CB ILE A 34 -0.905 9.316 -1.840 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.166 8.647 -2.391 1.00 0.00 C ATOM 554 CG2 ILE A 34 -1.302 10.485 -0.936 1.00 0.00 C ATOM 555 CD1 ILE A 34 -2.934 9.643 -3.262 1.00 0.00 C ATOM 0 H ILE A 34 0.019 7.812 -3.557 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.639 10.544 -3.588 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.330 8.591 -1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.898 7.768 -2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.796 8.304 -1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.908 10.116 -0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.404 10.963 -0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.877 11.211 -1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.832 9.166 -3.654 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.215 10.509 -2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.303 9.964 -4.090 1.00 0.00 H new ATOM 567 N GLY A 35 2.302 9.857 -2.492 1.00 0.00 N ATOM 568 CA GLY A 35 3.549 10.425 -2.001 1.00 0.00 C ATOM 569 C GLY A 35 4.021 11.557 -2.896 1.00 0.00 C ATOM 570 O GLY A 35 4.214 12.686 -2.443 1.00 0.00 O ATOM 0 H GLY A 35 2.381 8.907 -2.853 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.409 10.794 -0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.313 9.649 -1.956 1.00 0.00 H new ATOM 574 N SER A 36 4.182 11.251 -4.173 1.00 0.00 N ATOM 575 CA SER A 36 4.606 12.253 -5.132 1.00 0.00 C ATOM 576 C SER A 36 3.497 13.273 -5.287 1.00 0.00 C ATOM 577 O SER A 36 3.733 14.428 -5.640 1.00 0.00 O ATOM 578 CB SER A 36 4.909 11.602 -6.481 1.00 0.00 C ATOM 579 OG SER A 36 3.755 10.911 -6.938 1.00 0.00 O ATOM 0 H SER A 36 4.026 10.323 -4.566 1.00 0.00 H new ATOM 0 HA SER A 36 5.514 12.740 -4.776 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.204 12.361 -7.206 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.746 10.911 -6.385 1.00 0.00 H new ATOM 0 HG SER A 36 3.137 10.775 -6.190 1.00 0.00 H new ATOM 585 N ILE A 37 2.278 12.824 -5.011 1.00 0.00 N ATOM 586 CA ILE A 37 1.114 13.696 -5.113 1.00 0.00 C ATOM 587 C ILE A 37 1.085 14.675 -3.942 1.00 0.00 C ATOM 588 O ILE A 37 0.717 15.838 -4.100 1.00 0.00 O ATOM 589 CB ILE A 37 -0.175 12.855 -5.150 1.00 0.00 C ATOM 590 CG1 ILE A 37 -0.988 13.225 -6.394 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.023 13.110 -3.900 1.00 0.00 C ATOM 592 CD1 ILE A 37 -0.394 12.524 -7.618 1.00 0.00 C ATOM 0 H ILE A 37 2.071 11.869 -4.717 1.00 0.00 H new ATOM 0 HA ILE A 37 1.180 14.269 -6.038 1.00 0.00 H new ATOM 0 HB ILE A 37 0.098 11.800 -5.181 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.029 12.930 -6.262 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.979 14.305 -6.540 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.929 12.506 -3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.452 12.840 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.292 14.165 -3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.972 12.787 -8.504 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.640 12.841 -7.752 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.427 11.445 -7.471 1.00 0.00 H new ATOM 604 N TYR A 38 1.478 14.190 -2.768 1.00 0.00 N ATOM 605 CA TYR A 38 1.493 15.030 -1.577 1.00 0.00 C ATOM 606 C TYR A 38 2.142 16.376 -1.883 1.00 0.00 C ATOM 607 O TYR A 38 1.673 17.420 -1.432 1.00 0.00 O ATOM 608 CB TYR A 38 2.264 14.333 -0.453 1.00 0.00 C ATOM 609 CG TYR A 38 1.543 14.548 0.856 1.00 0.00 C ATOM 610 CD1 TYR A 38 0.267 14.007 1.049 1.00 0.00 C ATOM 611 CD2 TYR A 38 2.150 15.290 1.876 1.00 0.00 C ATOM 612 CE1 TYR A 38 -0.403 14.207 2.261 1.00 0.00 C ATOM 613 CE2 TYR A 38 1.480 15.491 3.089 1.00 0.00 C ATOM 614 CZ TYR A 38 0.204 14.949 3.281 1.00 0.00 C ATOM 615 OH TYR A 38 -0.457 15.148 4.476 1.00 0.00 O ATOM 0 H TYR A 38 1.787 13.230 -2.617 1.00 0.00 H new ATOM 0 HA TYR A 38 0.464 15.197 -1.259 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.350 13.267 -0.663 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.278 14.729 -0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.201 13.435 0.262 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.135 15.707 1.727 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.388 13.789 2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.948 16.064 3.876 1.00 0.00 H new ATOM 0 HH TYR A 38 0.104 15.683 5.075 1.00 0.00 H new ATOM 625 N LEU A 39 3.221 16.342 -2.659 1.00 0.00 N ATOM 626 CA LEU A 39 3.923 17.567 -3.025 1.00 0.00 C ATOM 627 C LEU A 39 2.927 18.644 -3.443 1.00 0.00 C ATOM 628 O LEU A 39 3.070 19.812 -3.079 1.00 0.00 O ATOM 629 CB LEU A 39 4.887 17.290 -4.180 1.00 0.00 C ATOM 630 CG LEU A 39 6.169 16.654 -3.639 1.00 0.00 C ATOM 631 CD1 LEU A 39 6.917 15.966 -4.782 1.00 0.00 C ATOM 632 CD2 LEU A 39 7.059 17.739 -3.026 1.00 0.00 C ATOM 0 H LEU A 39 3.625 15.488 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 39 4.484 17.918 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.418 16.626 -4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.122 18.218 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 39 5.916 15.919 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.831 15.512 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.284 15.193 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.170 16.701 -5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.972 17.286 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.313 18.475 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.526 18.230 -2.212 1.00 0.00 H new