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 59:sc= 0.433 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= -1.33 (180deg=-1.48) 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 15.189 -41.064 3.585 1.00 0.00 N ATOM 19 CA THR A 2 14.197 -40.745 4.606 1.00 0.00 C ATOM 20 C THR A 2 13.949 -39.241 4.660 1.00 0.00 C ATOM 21 O THR A 2 13.300 -38.742 5.580 1.00 0.00 O ATOM 22 CB THR A 2 14.680 -41.234 5.973 1.00 0.00 C ATOM 23 OG1 THR A 2 15.448 -40.214 6.595 1.00 0.00 O ATOM 24 CG2 THR A 2 15.539 -42.487 5.796 1.00 0.00 C ATOM 0 HA THR A 2 13.264 -41.247 4.350 1.00 0.00 H new ATOM 0 HB THR A 2 13.819 -41.473 6.598 1.00 0.00 H new ATOM 0 HG1 THR A 2 15.757 -40.525 7.471 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.882 -42.834 6.771 1.00 0.00 H new ATOM 0 HG22 THR A 2 14.948 -43.269 5.320 1.00 0.00 H new ATOM 0 HG23 THR A 2 16.400 -42.252 5.171 1.00 0.00 H new ATOM 32 N TYR A 3 14.472 -38.524 3.671 1.00 0.00 N ATOM 33 CA TYR A 3 14.303 -37.077 3.614 1.00 0.00 C ATOM 34 C TYR A 3 13.241 -36.698 2.585 1.00 0.00 C ATOM 35 O TYR A 3 12.559 -35.684 2.726 1.00 0.00 O ATOM 36 CB TYR A 3 15.632 -36.411 3.251 1.00 0.00 C ATOM 37 CG TYR A 3 16.374 -37.277 2.260 1.00 0.00 C ATOM 38 CD1 TYR A 3 15.986 -37.291 0.915 1.00 0.00 C ATOM 39 CD2 TYR A 3 17.450 -38.065 2.686 1.00 0.00 C ATOM 40 CE1 TYR A 3 16.675 -38.093 -0.004 1.00 0.00 C ATOM 41 CE2 TYR A 3 18.138 -38.866 1.768 1.00 0.00 C ATOM 42 CZ TYR A 3 17.750 -38.881 0.423 1.00 0.00 C ATOM 43 OH TYR A 3 18.430 -39.670 -0.482 1.00 0.00 O ATOM 0 H TYR A 3 15.014 -38.919 2.902 1.00 0.00 H new ATOM 0 HA TYR A 3 13.978 -36.730 4.595 1.00 0.00 H new ATOM 0 HB2 TYR A 3 15.452 -35.424 2.825 1.00 0.00 H new ATOM 0 HB3 TYR A 3 16.235 -36.266 4.147 1.00 0.00 H new ATOM 0 HD1 TYR A 3 15.156 -36.684 0.586 1.00 0.00 H new ATOM 0 HD2 TYR A 3 17.749 -38.055 3.724 1.00 0.00 H new ATOM 0 HE1 TYR A 3 16.377 -38.103 -1.042 1.00 0.00 H new ATOM 0 HE2 TYR A 3 18.969 -39.473 2.097 1.00 0.00 H new ATOM 0 HH TYR A 3 19.148 -40.152 -0.021 1.00 0.00 H new ATOM 53 N PHE A 4 13.108 -37.523 1.551 1.00 0.00 N ATOM 54 CA PHE A 4 12.127 -37.268 0.502 1.00 0.00 C ATOM 55 C PHE A 4 10.823 -36.744 1.099 1.00 0.00 C ATOM 56 O PHE A 4 10.257 -35.765 0.613 1.00 0.00 O ATOM 57 CB PHE A 4 11.850 -38.558 -0.275 1.00 0.00 C ATOM 58 CG PHE A 4 11.591 -38.231 -1.727 1.00 0.00 C ATOM 59 CD1 PHE A 4 10.453 -37.499 -2.087 1.00 0.00 C ATOM 60 CD2 PHE A 4 12.488 -38.662 -2.711 1.00 0.00 C ATOM 61 CE1 PHE A 4 10.213 -37.199 -3.434 1.00 0.00 C ATOM 62 CE2 PHE A 4 12.246 -38.362 -4.058 1.00 0.00 C ATOM 63 CZ PHE A 4 11.109 -37.631 -4.419 1.00 0.00 C ATOM 0 H PHE A 4 13.663 -38.368 1.417 1.00 0.00 H new ATOM 0 HA PHE A 4 12.533 -36.514 -0.172 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.700 -39.235 -0.191 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.989 -39.073 0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.761 -37.166 -1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 4 13.366 -39.225 -2.432 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.336 -36.634 -3.713 1.00 0.00 H new ATOM 0 HE2 PHE A 4 12.937 -38.695 -4.818 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.923 -37.400 -5.457 1.00 0.00 H new ATOM 73 N TYR A 5 10.352 -37.404 2.152 1.00 0.00 N ATOM 74 CA TYR A 5 9.113 -36.998 2.806 1.00 0.00 C ATOM 75 C TYR A 5 9.257 -35.610 3.422 1.00 0.00 C ATOM 76 O TYR A 5 8.541 -34.679 3.055 1.00 0.00 O ATOM 77 CB TYR A 5 8.746 -38.005 3.898 1.00 0.00 C ATOM 78 CG TYR A 5 8.456 -39.347 3.271 1.00 0.00 C ATOM 79 CD1 TYR A 5 7.161 -39.650 2.836 1.00 0.00 C ATOM 80 CD2 TYR A 5 9.482 -40.287 3.125 1.00 0.00 C ATOM 81 CE1 TYR A 5 6.891 -40.895 2.255 1.00 0.00 C ATOM 82 CE2 TYR A 5 9.213 -41.532 2.543 1.00 0.00 C ATOM 83 CZ TYR A 5 7.918 -41.836 2.109 1.00 0.00 C ATOM 84 OH TYR A 5 7.652 -43.063 1.536 1.00 0.00 O ATOM 0 H TYR A 5 10.806 -38.217 2.569 1.00 0.00 H new ATOM 0 HA TYR A 5 8.323 -36.968 2.055 1.00 0.00 H new ATOM 0 HB2 TYR A 5 9.563 -38.095 4.613 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.875 -37.655 4.452 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.370 -38.924 2.948 1.00 0.00 H new ATOM 0 HD2 TYR A 5 10.481 -40.052 3.461 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.892 -41.130 1.920 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.005 -42.257 2.429 1.00 0.00 H new ATOM 0 HH TYR A 5 8.474 -43.596 1.509 1.00 0.00 H new ATOM 94 N VAL A 6 10.185 -35.482 4.366 1.00 0.00 N ATOM 95 CA VAL A 6 10.412 -34.205 5.032 1.00 0.00 C ATOM 96 C VAL A 6 10.690 -33.104 4.011 1.00 0.00 C ATOM 97 O VAL A 6 10.635 -31.918 4.336 1.00 0.00 O ATOM 98 CB VAL A 6 11.597 -34.322 5.992 1.00 0.00 C ATOM 99 CG1 VAL A 6 11.685 -33.059 6.851 1.00 0.00 C ATOM 100 CG2 VAL A 6 11.400 -35.540 6.897 1.00 0.00 C ATOM 0 H VAL A 6 10.787 -36.241 4.685 1.00 0.00 H new ATOM 0 HA VAL A 6 9.513 -33.945 5.591 1.00 0.00 H new ATOM 0 HB VAL A 6 12.518 -34.437 5.420 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.529 -33.142 7.535 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.824 -32.190 6.207 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.765 -32.943 7.423 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.244 -35.625 7.582 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.479 -35.424 7.468 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.337 -36.441 6.286 1.00 0.00 H new ATOM 110 N THR A 7 10.990 -33.505 2.780 1.00 0.00 N ATOM 111 CA THR A 7 11.278 -32.540 1.725 1.00 0.00 C ATOM 112 C THR A 7 9.990 -31.925 1.187 1.00 0.00 C ATOM 113 O THR A 7 10.011 -30.862 0.565 1.00 0.00 O ATOM 114 CB THR A 7 12.034 -33.222 0.582 1.00 0.00 C ATOM 115 OG1 THR A 7 13.133 -33.949 1.113 1.00 0.00 O ATOM 116 CG2 THR A 7 12.545 -32.165 -0.399 1.00 0.00 C ATOM 0 H THR A 7 11.040 -34.482 2.490 1.00 0.00 H new ATOM 0 HA THR A 7 11.895 -31.747 2.148 1.00 0.00 H new ATOM 0 HB THR A 7 11.364 -33.904 0.059 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.806 -34.619 1.749 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.083 -32.653 -1.212 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.701 -31.608 -0.805 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.216 -31.480 0.120 1.00 0.00 H new ATOM 124 N ASP A 8 8.869 -32.597 1.428 1.00 0.00 N ATOM 125 CA ASP A 8 7.579 -32.103 0.957 1.00 0.00 C ATOM 126 C ASP A 8 7.231 -30.786 1.634 1.00 0.00 C ATOM 127 O ASP A 8 6.424 -30.006 1.129 1.00 0.00 O ATOM 128 CB ASP A 8 6.483 -33.133 1.241 1.00 0.00 C ATOM 129 CG ASP A 8 5.469 -33.139 0.102 1.00 0.00 C ATOM 130 OD1 ASP A 8 5.366 -32.133 -0.579 1.00 0.00 O ATOM 131 OD2 ASP A 8 4.810 -34.151 -0.073 1.00 0.00 O ATOM 0 H ASP A 8 8.826 -33.477 1.942 1.00 0.00 H new ATOM 0 HA ASP A 8 7.648 -31.939 -0.118 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.923 -34.124 1.353 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.985 -32.897 2.182 1.00 0.00 H new ATOM 136 N TYR A 9 7.846 -30.551 2.780 1.00 0.00 N ATOM 137 CA TYR A 9 7.602 -29.328 3.534 1.00 0.00 C ATOM 138 C TYR A 9 8.518 -28.204 3.056 1.00 0.00 C ATOM 139 O TYR A 9 8.265 -27.030 3.328 1.00 0.00 O ATOM 140 CB TYR A 9 7.834 -29.580 5.025 1.00 0.00 C ATOM 141 CG TYR A 9 6.813 -28.807 5.827 1.00 0.00 C ATOM 142 CD1 TYR A 9 7.089 -27.494 6.229 1.00 0.00 C ATOM 143 CD2 TYR A 9 5.590 -29.400 6.162 1.00 0.00 C ATOM 144 CE1 TYR A 9 6.142 -26.775 6.968 1.00 0.00 C ATOM 145 CE2 TYR A 9 4.643 -28.681 6.901 1.00 0.00 C ATOM 146 CZ TYR A 9 4.919 -27.369 7.304 1.00 0.00 C ATOM 147 OH TYR A 9 3.984 -26.660 8.032 1.00 0.00 O ATOM 0 H TYR A 9 8.517 -31.188 3.210 1.00 0.00 H new ATOM 0 HA TYR A 9 6.567 -29.027 3.372 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.753 -30.645 5.242 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.842 -29.273 5.305 1.00 0.00 H new ATOM 0 HD1 TYR A 9 8.032 -27.036 5.969 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.377 -30.412 5.850 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.354 -25.763 7.279 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.700 -29.138 7.160 1.00 0.00 H new ATOM 0 HH TYR A 9 3.192 -27.218 8.178 1.00 0.00 H new ATOM 157 N LEU A 10 9.580 -28.568 2.345 1.00 0.00 N ATOM 158 CA LEU A 10 10.522 -27.576 1.840 1.00 0.00 C ATOM 159 C LEU A 10 10.186 -27.194 0.401 1.00 0.00 C ATOM 160 O LEU A 10 11.076 -27.047 -0.436 1.00 0.00 O ATOM 161 CB LEU A 10 11.948 -28.129 1.907 1.00 0.00 C ATOM 162 CG LEU A 10 12.520 -27.888 3.305 1.00 0.00 C ATOM 163 CD1 LEU A 10 13.409 -29.067 3.706 1.00 0.00 C ATOM 164 CD2 LEU A 10 13.351 -26.603 3.300 1.00 0.00 C ATOM 0 H LEU A 10 9.809 -29.533 2.107 1.00 0.00 H new ATOM 0 HA LEU A 10 10.448 -26.684 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.948 -29.195 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.574 -27.644 1.157 1.00 0.00 H new ATOM 0 HG LEU A 10 11.702 -27.792 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 10 13.816 -28.894 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 10 12.819 -29.983 3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 10 14.227 -29.165 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 10 13.759 -26.430 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 10 14.168 -26.701 2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.719 -25.762 3.016 1.00 0.00 H new ATOM 272 N LYS A 18 3.342 -13.839 -5.024 1.00 0.00 N ATOM 273 CA LYS A 18 2.743 -12.813 -5.868 1.00 0.00 C ATOM 274 C LYS A 18 1.240 -12.821 -5.686 1.00 0.00 C ATOM 275 O LYS A 18 0.575 -11.790 -5.782 1.00 0.00 O ATOM 276 CB LYS A 18 3.089 -13.067 -7.336 1.00 0.00 C ATOM 277 CG LYS A 18 2.935 -11.766 -8.129 1.00 0.00 C ATOM 278 CD LYS A 18 4.285 -11.049 -8.216 1.00 0.00 C ATOM 279 CE LYS A 18 4.936 -11.345 -9.569 1.00 0.00 C ATOM 280 NZ LYS A 18 4.758 -12.788 -9.901 1.00 0.00 N ATOM 0 HA LYS A 18 3.138 -11.839 -5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.110 -13.439 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.435 -13.836 -7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.562 -11.982 -9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.200 -11.121 -7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.146 -9.975 -8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.937 -11.379 -7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.487 -10.724 -10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.997 -11.096 -9.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.353 -13.032 -10.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.037 -13.369 -9.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.760 -12.971 -10.132 1.00 0.00 H new ATOM 294 N ILE A 19 0.719 -14.003 -5.410 1.00 0.00 N ATOM 295 CA ILE A 19 -0.707 -14.170 -5.196 1.00 0.00 C ATOM 296 C ILE A 19 -1.056 -13.784 -3.769 1.00 0.00 C ATOM 297 O ILE A 19 -2.219 -13.548 -3.443 1.00 0.00 O ATOM 298 CB ILE A 19 -1.109 -15.623 -5.446 1.00 0.00 C ATOM 299 CG1 ILE A 19 -0.854 -15.980 -6.912 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.595 -15.805 -5.130 1.00 0.00 C ATOM 301 CD1 ILE A 19 -0.946 -17.497 -7.091 1.00 0.00 C ATOM 0 H ILE A 19 1.263 -14.862 -5.329 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.248 -13.527 -5.890 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.518 -16.276 -4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.584 -15.483 -7.551 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.131 -15.626 -7.218 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.881 -16.842 -5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.778 -15.553 -4.086 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.186 -15.150 -5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.764 -17.752 -8.135 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.199 -17.983 -6.464 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.940 -17.838 -6.802 1.00 0.00 H new ATOM 313 N ILE A 20 -0.036 -13.724 -2.917 1.00 0.00 N ATOM 314 CA ILE A 20 -0.258 -13.366 -1.516 1.00 0.00 C ATOM 315 C ILE A 20 0.209 -11.940 -1.229 1.00 0.00 C ATOM 316 O ILE A 20 -0.389 -11.237 -0.414 1.00 0.00 O ATOM 317 CB ILE A 20 0.480 -14.337 -0.593 1.00 0.00 C ATOM 318 CG1 ILE A 20 -0.020 -14.156 0.843 1.00 0.00 C ATOM 319 CG2 ILE A 20 1.979 -14.048 -0.644 1.00 0.00 C ATOM 320 CD1 ILE A 20 -1.460 -14.659 0.952 1.00 0.00 C ATOM 0 H ILE A 20 0.935 -13.914 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.330 -13.427 -1.326 1.00 0.00 H new ATOM 0 HB ILE A 20 0.293 -15.360 -0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.621 -14.704 1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.031 -13.105 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.505 -14.740 0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.339 -14.173 -1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.164 -13.025 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.814 -14.529 1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.096 -14.091 0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.497 -15.715 0.686 1.00 0.00 H new ATOM 332 N ILE A 21 1.281 -11.518 -1.892 1.00 0.00 N ATOM 333 CA ILE A 21 1.810 -10.173 -1.681 1.00 0.00 C ATOM 334 C ILE A 21 1.192 -9.183 -2.664 1.00 0.00 C ATOM 335 O ILE A 21 1.171 -7.978 -2.412 1.00 0.00 O ATOM 336 CB ILE A 21 3.332 -10.176 -1.845 1.00 0.00 C ATOM 337 CG1 ILE A 21 3.934 -9.055 -0.994 1.00 0.00 C ATOM 338 CG2 ILE A 21 3.691 -9.952 -3.314 1.00 0.00 C ATOM 339 CD1 ILE A 21 3.845 -9.429 0.487 1.00 0.00 C ATOM 0 H ILE A 21 1.795 -12.078 -2.571 1.00 0.00 H new ATOM 0 HA ILE A 21 1.553 -9.863 -0.668 1.00 0.00 H new ATOM 0 HB ILE A 21 3.731 -11.137 -1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.974 -8.890 -1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.402 -8.121 -1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.775 -9.955 -3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.261 -10.750 -3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.294 -8.992 -3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.274 -8.629 1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.801 -9.572 0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.397 -10.352 0.663 1.00 0.00 H new ATOM 351 N GLY A 22 0.689 -9.695 -3.781 1.00 0.00 N ATOM 352 CA GLY A 22 0.073 -8.841 -4.790 1.00 0.00 C ATOM 353 C GLY A 22 -0.832 -7.796 -4.143 1.00 0.00 C ATOM 354 O GLY A 22 -0.721 -6.602 -4.425 1.00 0.00 O ATOM 0 H GLY A 22 0.695 -10.689 -4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.848 -8.345 -5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.507 -9.451 -5.483 1.00 0.00 H new ATOM 358 N PRO A 23 -1.717 -8.228 -3.287 1.00 0.00 N ATOM 359 CA PRO A 23 -2.667 -7.319 -2.582 1.00 0.00 C ATOM 360 C PRO A 23 -1.945 -6.181 -1.869 1.00 0.00 C ATOM 361 O PRO A 23 -2.474 -5.075 -1.751 1.00 0.00 O ATOM 362 CB PRO A 23 -3.376 -8.229 -1.575 1.00 0.00 C ATOM 363 CG PRO A 23 -3.211 -9.617 -2.100 1.00 0.00 C ATOM 364 CD PRO A 23 -1.909 -9.632 -2.900 1.00 0.00 C ATOM 0 HA PRO A 23 -3.354 -6.834 -3.275 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.937 -8.131 -0.582 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.430 -7.967 -1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -3.172 -10.338 -1.283 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.056 -9.895 -2.730 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.076 -9.999 -2.301 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.984 -10.281 -3.773 1.00 0.00 H new ATOM 372 N LEU A 24 -0.733 -6.455 -1.398 1.00 0.00 N ATOM 373 CA LEU A 24 0.048 -5.440 -0.704 1.00 0.00 C ATOM 374 C LEU A 24 0.720 -4.517 -1.705 1.00 0.00 C ATOM 375 O LEU A 24 0.763 -3.302 -1.513 1.00 0.00 O ATOM 376 CB LEU A 24 1.103 -6.100 0.186 1.00 0.00 C ATOM 377 CG LEU A 24 1.161 -5.377 1.533 1.00 0.00 C ATOM 378 CD1 LEU A 24 -0.114 -5.667 2.328 1.00 0.00 C ATOM 379 CD2 LEU A 24 2.378 -5.872 2.321 1.00 0.00 C ATOM 0 H LEU A 24 -0.275 -7.362 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.625 -4.853 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.860 -7.152 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.078 -6.064 -0.300 1.00 0.00 H new ATOM 0 HG LEU A 24 1.245 -4.303 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.070 -5.151 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.980 -5.317 1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.201 -6.740 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.423 -5.359 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.292 -6.946 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.287 -5.664 1.756 1.00 0.00 H new ATOM 391 N ILE A 25 1.224 -5.095 -2.785 1.00 0.00 N ATOM 392 CA ILE A 25 1.865 -4.305 -3.818 1.00 0.00 C ATOM 393 C ILE A 25 0.947 -3.156 -4.207 1.00 0.00 C ATOM 394 O ILE A 25 1.403 -2.070 -4.565 1.00 0.00 O ATOM 395 CB ILE A 25 2.161 -5.170 -5.045 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.455 -5.954 -4.813 1.00 0.00 C ATOM 397 CG2 ILE A 25 2.323 -4.274 -6.274 1.00 0.00 C ATOM 398 CD1 ILE A 25 3.752 -6.824 -6.036 1.00 0.00 C ATOM 0 H ILE A 25 1.201 -6.099 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 25 2.808 -3.912 -3.436 1.00 0.00 H new ATOM 0 HB ILE A 25 1.337 -5.865 -5.208 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.282 -5.267 -4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.360 -6.578 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.534 -4.890 -7.148 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.403 -3.713 -6.439 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.148 -3.580 -6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.674 -7.382 -5.870 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.929 -7.521 -6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.865 -6.190 -6.915 1.00 0.00 H new ATOM 410 N PHE A 26 -0.355 -3.415 -4.134 1.00 0.00 N ATOM 411 CA PHE A 26 -1.349 -2.405 -4.479 1.00 0.00 C ATOM 412 C PHE A 26 -1.343 -1.271 -3.459 1.00 0.00 C ATOM 413 O PHE A 26 -1.407 -0.096 -3.822 1.00 0.00 O ATOM 414 CB PHE A 26 -2.740 -3.040 -4.529 1.00 0.00 C ATOM 415 CG PHE A 26 -3.007 -3.558 -5.921 1.00 0.00 C ATOM 416 CD1 PHE A 26 -1.958 -4.079 -6.687 1.00 0.00 C ATOM 417 CD2 PHE A 26 -4.304 -3.516 -6.447 1.00 0.00 C ATOM 418 CE1 PHE A 26 -2.206 -4.559 -7.979 1.00 0.00 C ATOM 419 CE2 PHE A 26 -4.552 -3.995 -7.738 1.00 0.00 C ATOM 420 CZ PHE A 26 -3.503 -4.517 -8.504 1.00 0.00 C ATOM 0 H PHE A 26 -0.745 -4.311 -3.841 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.098 -1.997 -5.458 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.806 -3.854 -3.808 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.497 -2.306 -4.251 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.957 -4.111 -6.282 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.113 -3.114 -5.856 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.397 -4.961 -8.570 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.552 -3.962 -8.143 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.694 -4.887 -9.500 1.00 0.00 H new ATOM 430 N VAL A 27 -1.263 -1.630 -2.182 1.00 0.00 N ATOM 431 CA VAL A 27 -1.248 -0.633 -1.118 1.00 0.00 C ATOM 432 C VAL A 27 -0.013 0.252 -1.237 1.00 0.00 C ATOM 433 O VAL A 27 -0.064 1.448 -0.952 1.00 0.00 O ATOM 434 CB VAL A 27 -1.257 -1.324 0.247 1.00 0.00 C ATOM 435 CG1 VAL A 27 -1.111 -0.276 1.351 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.580 -2.072 0.428 1.00 0.00 C ATOM 0 H VAL A 27 -1.208 -2.596 -1.860 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.138 -0.011 -1.213 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.427 -2.029 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.117 -0.769 2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.171 0.260 1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.941 0.429 1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.589 -2.565 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.408 -1.365 0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.686 -2.819 -0.359 1.00 0.00 H new ATOM 446 N PHE A 28 1.096 -0.344 -1.665 1.00 0.00 N ATOM 447 CA PHE A 28 2.339 0.401 -1.822 1.00 0.00 C ATOM 448 C PHE A 28 2.240 1.349 -3.011 1.00 0.00 C ATOM 449 O PHE A 28 2.695 2.491 -2.947 1.00 0.00 O ATOM 450 CB PHE A 28 3.506 -0.567 -2.030 1.00 0.00 C ATOM 451 CG PHE A 28 4.738 -0.026 -1.343 1.00 0.00 C ATOM 452 CD1 PHE A 28 5.446 1.040 -1.911 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.172 -0.593 -0.138 1.00 0.00 C ATOM 454 CE1 PHE A 28 6.588 1.541 -1.274 1.00 0.00 C ATOM 455 CE2 PHE A 28 6.315 -0.092 0.499 1.00 0.00 C ATOM 456 CZ PHE A 28 7.022 0.974 -0.069 1.00 0.00 C ATOM 0 H PHE A 28 1.159 -1.333 -1.907 1.00 0.00 H new ATOM 0 HA PHE A 28 2.513 0.984 -0.918 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.254 -1.549 -1.628 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.698 -0.698 -3.095 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.111 1.476 -2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.626 -1.416 0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.134 2.364 -1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.650 -0.528 1.428 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.903 1.360 0.422 1.00 0.00 H new ATOM 466 N LEU A 29 1.634 0.872 -4.094 1.00 0.00 N ATOM 467 CA LEU A 29 1.474 1.693 -5.288 1.00 0.00 C ATOM 468 C LEU A 29 0.544 2.864 -4.995 1.00 0.00 C ATOM 469 O LEU A 29 0.739 3.968 -5.504 1.00 0.00 O ATOM 470 CB LEU A 29 0.900 0.855 -6.432 1.00 0.00 C ATOM 471 CG LEU A 29 0.987 1.649 -7.736 1.00 0.00 C ATOM 472 CD1 LEU A 29 2.454 1.815 -8.138 1.00 0.00 C ATOM 473 CD2 LEU A 29 0.239 0.900 -8.840 1.00 0.00 C ATOM 0 H LEU A 29 1.249 -0.070 -4.169 1.00 0.00 H new ATOM 0 HA LEU A 29 2.451 2.075 -5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.452 -0.080 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.137 0.593 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 29 0.537 2.631 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.515 2.381 -9.068 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.988 2.349 -7.352 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.905 0.833 -8.281 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.301 1.466 -9.770 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.689 -0.082 -8.982 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.807 0.782 -8.556 1.00 0.00 H new ATOM 485 N PHE A 30 -0.463 2.614 -4.166 1.00 0.00 N ATOM 486 CA PHE A 30 -1.417 3.654 -3.803 1.00 0.00 C ATOM 487 C PHE A 30 -0.759 4.671 -2.877 1.00 0.00 C ATOM 488 O PHE A 30 -1.017 5.871 -2.972 1.00 0.00 O ATOM 489 CB PHE A 30 -2.628 3.031 -3.107 1.00 0.00 C ATOM 490 CG PHE A 30 -3.765 2.906 -4.092 1.00 0.00 C ATOM 491 CD1 PHE A 30 -4.564 4.018 -4.381 1.00 0.00 C ATOM 492 CD2 PHE A 30 -4.020 1.679 -4.717 1.00 0.00 C ATOM 493 CE1 PHE A 30 -5.619 3.904 -5.295 1.00 0.00 C ATOM 494 CE2 PHE A 30 -5.075 1.564 -5.630 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.874 2.677 -5.919 1.00 0.00 C ATOM 0 H PHE A 30 -0.639 1.706 -3.735 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.746 4.161 -4.710 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.368 2.050 -2.709 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.932 3.648 -2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.367 4.964 -3.899 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.403 0.821 -4.495 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.236 4.762 -5.518 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.272 0.617 -6.111 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.688 2.589 -6.624 1.00 0.00 H new ATOM 505 N SER A 31 0.098 4.183 -1.986 1.00 0.00 N ATOM 506 CA SER A 31 0.795 5.057 -1.053 1.00 0.00 C ATOM 507 C SER A 31 1.776 5.947 -1.802 1.00 0.00 C ATOM 508 O SER A 31 1.957 7.118 -1.466 1.00 0.00 O ATOM 509 CB SER A 31 1.544 4.223 -0.014 1.00 0.00 C ATOM 510 OG SER A 31 0.871 4.316 1.235 1.00 0.00 O ATOM 0 H SER A 31 0.325 3.193 -1.891 1.00 0.00 H new ATOM 0 HA SER A 31 0.062 5.684 -0.546 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.597 3.183 -0.335 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.569 4.579 0.085 1.00 0.00 H new ATOM 0 HG SER A 31 1.347 3.781 1.904 1.00 0.00 H new ATOM 516 N VAL A 32 2.401 5.380 -2.821 1.00 0.00 N ATOM 517 CA VAL A 32 3.362 6.120 -3.628 1.00 0.00 C ATOM 518 C VAL A 32 2.674 7.276 -4.346 1.00 0.00 C ATOM 519 O VAL A 32 3.195 8.392 -4.389 1.00 0.00 O ATOM 520 CB VAL A 32 4.006 5.189 -4.657 1.00 0.00 C ATOM 521 CG1 VAL A 32 4.676 6.021 -5.753 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.057 4.318 -3.965 1.00 0.00 C ATOM 0 H VAL A 32 2.262 4.412 -3.110 1.00 0.00 H new ATOM 0 HA VAL A 32 4.133 6.520 -2.969 1.00 0.00 H new ATOM 0 HB VAL A 32 3.240 4.554 -5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.134 5.356 -6.485 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.929 6.643 -6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.443 6.657 -5.310 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.518 3.654 -4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.822 4.955 -3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.581 3.724 -3.184 1.00 0.00 H new ATOM 532 N VAL A 33 1.499 7.004 -4.905 1.00 0.00 N ATOM 533 CA VAL A 33 0.745 8.030 -5.614 1.00 0.00 C ATOM 534 C VAL A 33 0.449 9.206 -4.688 1.00 0.00 C ATOM 535 O VAL A 33 0.719 10.357 -5.028 1.00 0.00 O ATOM 536 CB VAL A 33 -0.568 7.447 -6.138 1.00 0.00 C ATOM 537 CG1 VAL A 33 -1.285 8.489 -6.997 1.00 0.00 C ATOM 538 CG2 VAL A 33 -0.269 6.208 -6.985 1.00 0.00 C ATOM 0 H VAL A 33 1.051 6.088 -4.881 1.00 0.00 H new ATOM 0 HA VAL A 33 1.344 8.382 -6.454 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.205 7.172 -5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.221 8.072 -7.370 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.496 9.373 -6.396 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.650 8.766 -7.839 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.203 5.790 -7.360 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.367 6.486 -7.825 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.242 5.464 -6.374 1.00 0.00 H new ATOM 548 N ILE A 34 -0.103 8.904 -3.518 1.00 0.00 N ATOM 549 CA ILE A 34 -0.426 9.945 -2.548 1.00 0.00 C ATOM 550 C ILE A 34 0.845 10.581 -2.010 1.00 0.00 C ATOM 551 O ILE A 34 0.826 11.694 -1.484 1.00 0.00 O ATOM 552 CB ILE A 34 -1.235 9.350 -1.394 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.710 9.273 -1.795 1.00 0.00 C ATOM 554 CG2 ILE A 34 -1.088 10.238 -0.156 1.00 0.00 C ATOM 555 CD1 ILE A 34 -2.826 8.700 -3.209 1.00 0.00 C ATOM 0 H ILE A 34 -0.335 7.957 -3.220 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.019 10.712 -3.046 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.866 8.350 -1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.257 8.646 -1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.161 10.265 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.664 9.814 0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.037 10.294 0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.457 11.239 -0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.877 8.645 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.293 9.345 -3.908 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.391 7.701 -3.234 1.00 0.00 H new ATOM 567 N GLY A 35 1.947 9.861 -2.144 1.00 0.00 N ATOM 568 CA GLY A 35 3.234 10.348 -1.668 1.00 0.00 C ATOM 569 C GLY A 35 3.806 11.410 -2.592 1.00 0.00 C ATOM 570 O GLY A 35 4.092 12.530 -2.170 1.00 0.00 O ATOM 0 H GLY A 35 1.978 8.938 -2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.120 10.760 -0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.933 9.515 -1.592 1.00 0.00 H new ATOM 574 N SER A 36 3.963 11.049 -3.857 1.00 0.00 N ATOM 575 CA SER A 36 4.492 11.978 -4.838 1.00 0.00 C ATOM 576 C SER A 36 3.492 13.096 -5.047 1.00 0.00 C ATOM 577 O SER A 36 3.849 14.213 -5.424 1.00 0.00 O ATOM 578 CB SER A 36 4.758 11.260 -6.161 1.00 0.00 C ATOM 579 OG SER A 36 3.549 11.181 -6.905 1.00 0.00 O ATOM 0 H SER A 36 3.733 10.126 -4.224 1.00 0.00 H new ATOM 0 HA SER A 36 5.434 12.390 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.516 11.796 -6.733 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.149 10.260 -5.973 1.00 0.00 H new ATOM 0 HG SER A 36 3.717 10.723 -7.755 1.00 0.00 H new ATOM 585 N ILE A 37 2.234 12.780 -4.785 1.00 0.00 N ATOM 586 CA ILE A 37 1.168 13.764 -4.933 1.00 0.00 C ATOM 587 C ILE A 37 1.225 14.764 -3.786 1.00 0.00 C ATOM 588 O ILE A 37 1.027 15.963 -3.979 1.00 0.00 O ATOM 589 CB ILE A 37 -0.195 13.074 -4.949 1.00 0.00 C ATOM 590 CG1 ILE A 37 -0.511 12.605 -6.370 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.273 14.056 -4.485 1.00 0.00 C ATOM 592 CD1 ILE A 37 -1.143 13.753 -7.160 1.00 0.00 C ATOM 0 H ILE A 37 1.925 11.860 -4.472 1.00 0.00 H new ATOM 0 HA ILE A 37 1.306 14.290 -5.878 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.174 12.216 -4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.401 12.269 -6.864 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.190 11.753 -6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.245 13.562 -4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.049 14.391 -3.472 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.295 14.916 -5.155 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.368 13.418 -8.172 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.064 14.069 -6.670 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.448 14.592 -7.202 1.00 0.00 H new ATOM 604 N TYR A 38 1.500 14.254 -2.590 1.00 0.00 N ATOM 605 CA TYR A 38 1.584 15.105 -1.410 1.00 0.00 C ATOM 606 C TYR A 38 2.532 16.272 -1.664 1.00 0.00 C ATOM 607 O TYR A 38 2.237 17.413 -1.307 1.00 0.00 O ATOM 608 CB TYR A 38 2.077 14.290 -0.212 1.00 0.00 C ATOM 609 CG TYR A 38 2.023 15.139 1.034 1.00 0.00 C ATOM 610 CD1 TYR A 38 3.005 16.112 1.262 1.00 0.00 C ATOM 611 CD2 TYR A 38 0.993 14.954 1.964 1.00 0.00 C ATOM 612 CE1 TYR A 38 2.955 16.899 2.418 1.00 0.00 C ATOM 613 CE2 TYR A 38 0.944 15.741 3.120 1.00 0.00 C ATOM 614 CZ TYR A 38 1.925 16.714 3.348 1.00 0.00 C ATOM 615 OH TYR A 38 1.877 17.489 4.488 1.00 0.00 O ATOM 0 H TYR A 38 1.667 13.263 -2.413 1.00 0.00 H new ATOM 0 HA TYR A 38 0.591 15.498 -1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.460 13.401 -0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.097 13.948 -0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.801 16.255 0.546 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.236 14.204 1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.712 17.650 2.593 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.149 15.598 3.837 1.00 0.00 H new ATOM 0 HH TYR A 38 1.099 17.233 5.025 1.00 0.00 H new ATOM 625 N LEU A 39 3.667 15.980 -2.288 1.00 0.00 N ATOM 626 CA LEU A 39 4.645 17.018 -2.592 1.00 0.00 C ATOM 627 C LEU A 39 4.001 18.111 -3.437 1.00 0.00 C ATOM 628 O LEU A 39 4.213 19.300 -3.201 1.00 0.00 O ATOM 629 CB LEU A 39 5.834 16.418 -3.348 1.00 0.00 C ATOM 630 CG LEU A 39 6.008 14.950 -2.955 1.00 0.00 C ATOM 631 CD1 LEU A 39 7.304 14.408 -3.560 1.00 0.00 C ATOM 632 CD2 LEU A 39 6.070 14.836 -1.430 1.00 0.00 C ATOM 0 H LEU A 39 3.932 15.043 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 39 4.998 17.449 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.672 16.500 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.742 16.976 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 39 5.164 14.371 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.427 13.362 -3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.261 14.490 -4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.149 14.986 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.194 13.790 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.914 15.415 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.146 15.221 -0.998 1.00 0.00 H new