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 -74:sc= -1.34 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= -0.165 (180deg=-0.68) USER MOD Single : A 31 SER OG : rot -66:sc= 0.0935 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 -1.061 -40.855 0.018 1.00 0.00 N ATOM 19 CA THR A 2 -0.556 -40.039 1.116 1.00 0.00 C ATOM 20 C THR A 2 0.852 -39.542 0.810 1.00 0.00 C ATOM 21 O THR A 2 1.506 -38.937 1.659 1.00 0.00 O ATOM 22 CB THR A 2 -0.543 -40.856 2.410 1.00 0.00 C ATOM 23 OG1 THR A 2 0.651 -41.624 2.469 1.00 0.00 O ATOM 24 CG2 THR A 2 -1.756 -41.787 2.441 1.00 0.00 C ATOM 0 HA THR A 2 -1.213 -39.178 1.237 1.00 0.00 H new ATOM 0 HB THR A 2 -0.585 -40.183 3.267 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.663 -42.147 3.298 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.745 -42.368 3.363 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.670 -41.195 2.396 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.718 -42.462 1.586 1.00 0.00 H new ATOM 32 N TYR A 3 1.312 -39.800 -0.410 1.00 0.00 N ATOM 33 CA TYR A 3 2.644 -39.373 -0.820 1.00 0.00 C ATOM 34 C TYR A 3 2.554 -38.216 -1.809 1.00 0.00 C ATOM 35 O TYR A 3 3.502 -37.449 -1.971 1.00 0.00 O ATOM 36 CB TYR A 3 3.392 -40.542 -1.466 1.00 0.00 C ATOM 37 CG TYR A 3 4.370 -41.128 -0.475 1.00 0.00 C ATOM 38 CD1 TYR A 3 5.663 -40.603 -0.374 1.00 0.00 C ATOM 39 CD2 TYR A 3 3.982 -42.197 0.342 1.00 0.00 C ATOM 40 CE1 TYR A 3 6.570 -41.147 0.544 1.00 0.00 C ATOM 41 CE2 TYR A 3 4.889 -42.741 1.259 1.00 0.00 C ATOM 42 CZ TYR A 3 6.183 -42.217 1.360 1.00 0.00 C ATOM 43 OH TYR A 3 7.077 -42.754 2.264 1.00 0.00 O ATOM 0 H TYR A 3 0.786 -40.299 -1.127 1.00 0.00 H new ATOM 0 HA TYR A 3 3.187 -39.039 0.065 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.684 -41.306 -1.789 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.921 -40.201 -2.356 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.962 -39.778 -1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.984 -42.602 0.265 1.00 0.00 H new ATOM 0 HE1 TYR A 3 7.568 -40.741 0.623 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.590 -43.566 1.889 1.00 0.00 H new ATOM 0 HH TYR A 3 6.648 -43.488 2.751 1.00 0.00 H new ATOM 53 N PHE A 4 1.406 -38.097 -2.471 1.00 0.00 N ATOM 54 CA PHE A 4 1.204 -37.029 -3.442 1.00 0.00 C ATOM 55 C PHE A 4 1.509 -35.672 -2.816 1.00 0.00 C ATOM 56 O PHE A 4 2.043 -34.780 -3.474 1.00 0.00 O ATOM 57 CB PHE A 4 -0.239 -37.046 -3.948 1.00 0.00 C ATOM 58 CG PHE A 4 -0.269 -36.618 -5.396 1.00 0.00 C ATOM 59 CD1 PHE A 4 0.251 -37.461 -6.386 1.00 0.00 C ATOM 60 CD2 PHE A 4 -0.816 -35.378 -5.749 1.00 0.00 C ATOM 61 CE1 PHE A 4 0.224 -37.063 -7.729 1.00 0.00 C ATOM 62 CE2 PHE A 4 -0.842 -34.981 -7.091 1.00 0.00 C ATOM 63 CZ PHE A 4 -0.322 -35.823 -8.081 1.00 0.00 C ATOM 0 H PHE A 4 0.608 -38.722 -2.353 1.00 0.00 H new ATOM 0 HA PHE A 4 1.883 -37.193 -4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.660 -38.046 -3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.855 -36.377 -3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.673 -38.417 -6.114 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.218 -34.728 -4.986 1.00 0.00 H new ATOM 0 HE1 PHE A 4 0.625 -37.713 -8.493 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.263 -34.025 -7.363 1.00 0.00 H new ATOM 0 HZ PHE A 4 -0.342 -35.516 -9.116 1.00 0.00 H new ATOM 73 N TYR A 5 1.167 -35.523 -1.540 1.00 0.00 N ATOM 74 CA TYR A 5 1.411 -34.270 -0.837 1.00 0.00 C ATOM 75 C TYR A 5 2.902 -34.089 -0.573 1.00 0.00 C ATOM 76 O TYR A 5 3.493 -33.082 -0.960 1.00 0.00 O ATOM 77 CB TYR A 5 0.652 -34.256 0.491 1.00 0.00 C ATOM 78 CG TYR A 5 0.573 -32.841 1.010 1.00 0.00 C ATOM 79 CD1 TYR A 5 -0.227 -31.899 0.353 1.00 0.00 C ATOM 80 CD2 TYR A 5 1.300 -32.470 2.148 1.00 0.00 C ATOM 81 CE1 TYR A 5 -0.300 -30.585 0.832 1.00 0.00 C ATOM 82 CE2 TYR A 5 1.229 -31.157 2.627 1.00 0.00 C ATOM 83 CZ TYR A 5 0.428 -30.214 1.969 1.00 0.00 C ATOM 84 OH TYR A 5 0.357 -28.920 2.442 1.00 0.00 O ATOM 0 H TYR A 5 0.724 -36.248 -0.976 1.00 0.00 H new ATOM 0 HA TYR A 5 1.059 -33.450 -1.463 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.351 -34.661 0.353 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.156 -34.894 1.217 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.788 -32.186 -0.524 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.916 -33.197 2.656 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.917 -29.858 0.325 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.791 -30.871 3.503 1.00 0.00 H new ATOM 0 HH TYR A 5 0.921 -28.831 3.238 1.00 0.00 H new ATOM 94 N VAL A 6 3.503 -35.073 0.087 1.00 0.00 N ATOM 95 CA VAL A 6 4.927 -35.014 0.394 1.00 0.00 C ATOM 96 C VAL A 6 5.731 -34.714 -0.866 1.00 0.00 C ATOM 97 O VAL A 6 6.826 -34.158 -0.798 1.00 0.00 O ATOM 98 CB VAL A 6 5.386 -36.345 0.995 1.00 0.00 C ATOM 99 CG1 VAL A 6 6.816 -36.204 1.518 1.00 0.00 C ATOM 100 CG2 VAL A 6 4.457 -36.729 2.148 1.00 0.00 C ATOM 0 H VAL A 6 3.031 -35.915 0.417 1.00 0.00 H new ATOM 0 HA VAL A 6 5.095 -34.215 1.116 1.00 0.00 H new ATOM 0 HB VAL A 6 5.355 -37.119 0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.142 -37.152 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.478 -35.929 0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.848 -35.430 2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.782 -37.677 2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.488 -35.954 2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.438 -36.830 1.776 1.00 0.00 H new ATOM 110 N THR A 7 5.175 -35.083 -2.017 1.00 0.00 N ATOM 111 CA THR A 7 5.849 -34.846 -3.289 1.00 0.00 C ATOM 112 C THR A 7 5.733 -33.378 -3.686 1.00 0.00 C ATOM 113 O THR A 7 6.710 -32.759 -4.105 1.00 0.00 O ATOM 114 CB THR A 7 5.229 -35.722 -4.381 1.00 0.00 C ATOM 115 OG1 THR A 7 4.011 -36.278 -3.905 1.00 0.00 O ATOM 116 CG2 THR A 7 6.198 -36.849 -4.747 1.00 0.00 C ATOM 0 H THR A 7 4.268 -35.543 -2.095 1.00 0.00 H new ATOM 0 HA THR A 7 6.903 -35.101 -3.175 1.00 0.00 H new ATOM 0 HB THR A 7 5.031 -35.115 -5.265 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.206 -36.985 -3.255 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.755 -37.472 -5.524 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.132 -36.422 -5.112 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.398 -37.457 -3.865 1.00 0.00 H new ATOM 124 N ASP A 8 4.531 -32.826 -3.545 1.00 0.00 N ATOM 125 CA ASP A 8 4.301 -31.428 -3.887 1.00 0.00 C ATOM 126 C ASP A 8 4.955 -30.521 -2.858 1.00 0.00 C ATOM 127 O ASP A 8 5.246 -29.355 -3.128 1.00 0.00 O ATOM 128 CB ASP A 8 2.799 -31.141 -3.952 1.00 0.00 C ATOM 129 CG ASP A 8 2.540 -29.905 -4.807 1.00 0.00 C ATOM 130 OD1 ASP A 8 3.411 -29.554 -5.585 1.00 0.00 O ATOM 131 OD2 ASP A 8 1.473 -29.328 -4.671 1.00 0.00 O ATOM 0 H ASP A 8 3.709 -33.321 -3.199 1.00 0.00 H new ATOM 0 HA ASP A 8 4.743 -31.232 -4.864 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.274 -32.000 -4.371 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.406 -30.987 -2.947 1.00 0.00 H new ATOM 136 N TYR A 9 5.186 -31.073 -1.678 1.00 0.00 N ATOM 137 CA TYR A 9 5.813 -30.325 -0.596 1.00 0.00 C ATOM 138 C TYR A 9 7.208 -29.864 -1.007 1.00 0.00 C ATOM 139 O TYR A 9 7.766 -28.939 -0.417 1.00 0.00 O ATOM 140 CB TYR A 9 5.910 -31.200 0.655 1.00 0.00 C ATOM 141 CG TYR A 9 6.146 -30.325 1.864 1.00 0.00 C ATOM 142 CD1 TYR A 9 7.438 -29.868 2.155 1.00 0.00 C ATOM 143 CD2 TYR A 9 5.076 -29.974 2.694 1.00 0.00 C ATOM 144 CE1 TYR A 9 7.657 -29.057 3.275 1.00 0.00 C ATOM 145 CE2 TYR A 9 5.296 -29.164 3.815 1.00 0.00 C ATOM 146 CZ TYR A 9 6.586 -28.705 4.105 1.00 0.00 C ATOM 147 OH TYR A 9 6.802 -27.906 5.209 1.00 0.00 O ATOM 0 H TYR A 9 4.949 -32.037 -1.443 1.00 0.00 H new ATOM 0 HA TYR A 9 5.201 -29.450 -0.379 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.992 -31.775 0.782 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.723 -31.918 0.548 1.00 0.00 H new ATOM 0 HD1 TYR A 9 8.265 -30.141 1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.080 -30.328 2.470 1.00 0.00 H new ATOM 0 HE1 TYR A 9 8.652 -28.703 3.499 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.470 -28.893 4.456 1.00 0.00 H new ATOM 0 HH TYR A 9 5.953 -27.756 5.676 1.00 0.00 H new ATOM 157 N LEU A 10 7.763 -30.515 -2.024 1.00 0.00 N ATOM 158 CA LEU A 10 9.091 -30.163 -2.509 1.00 0.00 C ATOM 159 C LEU A 10 8.990 -29.146 -3.642 1.00 0.00 C ATOM 160 O LEU A 10 9.966 -28.882 -4.344 1.00 0.00 O ATOM 161 CB LEU A 10 9.816 -31.417 -3.004 1.00 0.00 C ATOM 162 CG LEU A 10 10.677 -31.987 -1.874 1.00 0.00 C ATOM 163 CD1 LEU A 10 9.774 -32.522 -0.761 1.00 0.00 C ATOM 164 CD2 LEU A 10 11.542 -33.127 -2.417 1.00 0.00 C ATOM 0 H LEU A 10 7.317 -31.284 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 10 9.656 -29.721 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.092 -32.162 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.440 -31.174 -3.864 1.00 0.00 H new ATOM 0 HG LEU A 10 11.317 -31.200 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.389 -32.928 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.157 -31.712 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.133 -33.308 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 10 12.155 -33.533 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.900 -33.912 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.187 -32.748 -3.210 1.00 0.00 H new ATOM 272 N LYS A 18 3.343 -13.818 -5.294 1.00 0.00 N ATOM 273 CA LYS A 18 2.744 -12.677 -5.972 1.00 0.00 C ATOM 274 C LYS A 18 1.249 -12.666 -5.722 1.00 0.00 C ATOM 275 O LYS A 18 0.619 -11.612 -5.646 1.00 0.00 O ATOM 276 CB LYS A 18 3.019 -12.753 -7.476 1.00 0.00 C ATOM 277 CG LYS A 18 2.377 -11.554 -8.177 1.00 0.00 C ATOM 278 CD LYS A 18 2.378 -11.787 -9.689 1.00 0.00 C ATOM 279 CE LYS A 18 1.473 -10.757 -10.366 1.00 0.00 C ATOM 280 NZ LYS A 18 0.057 -11.001 -9.965 1.00 0.00 N ATOM 0 HA LYS A 18 3.183 -11.759 -5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.093 -12.762 -7.659 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.619 -13.682 -7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.356 -11.414 -7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.926 -10.643 -7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.393 -11.707 -10.079 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.029 -12.795 -9.912 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.774 -9.749 -10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.573 -10.825 -11.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.580 -10.642 -10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.098 -12.022 -9.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.140 -10.510 -9.070 1.00 0.00 H new ATOM 294 N ILE A 19 0.698 -13.859 -5.586 1.00 0.00 N ATOM 295 CA ILE A 19 -0.723 -14.009 -5.329 1.00 0.00 C ATOM 296 C ILE A 19 -0.997 -13.756 -3.857 1.00 0.00 C ATOM 297 O ILE A 19 -2.137 -13.529 -3.454 1.00 0.00 O ATOM 298 CB ILE A 19 -1.179 -15.420 -5.699 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.015 -15.633 -7.207 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.648 -15.604 -5.311 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.263 -15.131 -7.936 1.00 0.00 C ATOM 0 H ILE A 19 1.213 -14.737 -5.649 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.274 -13.290 -5.935 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.571 -16.148 -5.163 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.134 -15.101 -7.566 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.858 -16.690 -7.420 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.971 -16.611 -5.576 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.762 -15.457 -4.237 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.259 -14.875 -5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.144 -15.284 -9.009 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.136 -15.682 -7.586 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.400 -14.069 -7.734 1.00 0.00 H new ATOM 313 N ILE A 20 0.064 -13.803 -3.056 1.00 0.00 N ATOM 314 CA ILE A 20 -0.079 -13.578 -1.618 1.00 0.00 C ATOM 315 C ILE A 20 0.419 -12.190 -1.222 1.00 0.00 C ATOM 316 O ILE A 20 -0.202 -11.511 -0.405 1.00 0.00 O ATOM 317 CB ILE A 20 0.699 -14.635 -0.834 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.329 -14.542 0.647 1.00 0.00 C ATOM 319 CG2 ILE A 20 2.198 -14.390 -0.995 1.00 0.00 C ATOM 320 CD1 ILE A 20 0.883 -15.760 1.387 1.00 0.00 C ATOM 0 H ILE A 20 1.016 -13.991 -3.369 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.140 -13.651 -1.378 1.00 0.00 H new ATOM 0 HB ILE A 20 0.449 -15.625 -1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.734 -13.626 1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.754 -14.496 0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.752 -15.144 -0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.465 -14.451 -2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.448 -13.400 -0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.620 -15.695 2.443 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.457 -16.669 0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.968 -15.786 1.284 1.00 0.00 H new ATOM 332 N ILE A 21 1.546 -11.779 -1.794 1.00 0.00 N ATOM 333 CA ILE A 21 2.115 -10.475 -1.475 1.00 0.00 C ATOM 334 C ILE A 21 1.604 -9.405 -2.436 1.00 0.00 C ATOM 335 O ILE A 21 1.693 -8.209 -2.153 1.00 0.00 O ATOM 336 CB ILE A 21 3.645 -10.545 -1.536 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.235 -9.620 -0.471 1.00 0.00 C ATOM 338 CG2 ILE A 21 4.135 -10.108 -2.920 1.00 0.00 C ATOM 339 CD1 ILE A 21 4.300 -10.361 0.866 1.00 0.00 C ATOM 0 H ILE A 21 2.078 -12.323 -2.473 1.00 0.00 H new ATOM 0 HA ILE A 21 1.805 -10.204 -0.466 1.00 0.00 H new ATOM 0 HB ILE A 21 3.965 -11.571 -1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.232 -9.295 -0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.623 -8.723 -0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.223 -10.161 -2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.716 -10.768 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.815 -9.084 -3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.720 -9.703 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.296 -10.664 1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.930 -11.244 0.762 1.00 0.00 H new ATOM 351 N GLY A 22 1.072 -9.839 -3.572 1.00 0.00 N ATOM 352 CA GLY A 22 0.554 -8.907 -4.565 1.00 0.00 C ATOM 353 C GLY A 22 -0.374 -7.882 -3.921 1.00 0.00 C ATOM 354 O GLY A 22 -0.251 -6.679 -4.159 1.00 0.00 O ATOM 0 H GLY A 22 0.988 -10.823 -3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.382 -8.395 -5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.015 -9.456 -5.338 1.00 0.00 H new ATOM 358 N PRO A 23 -1.294 -8.339 -3.116 1.00 0.00 N ATOM 359 CA PRO A 23 -2.270 -7.451 -2.421 1.00 0.00 C ATOM 360 C PRO A 23 -1.578 -6.343 -1.632 1.00 0.00 C ATOM 361 O PRO A 23 -2.130 -5.258 -1.456 1.00 0.00 O ATOM 362 CB PRO A 23 -3.032 -8.394 -1.484 1.00 0.00 C ATOM 363 CG PRO A 23 -2.848 -9.762 -2.055 1.00 0.00 C ATOM 364 CD PRO A 23 -1.504 -9.754 -2.782 1.00 0.00 C ATOM 0 HA PRO A 23 -2.920 -6.934 -3.127 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.641 -8.337 -0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.088 -8.129 -1.435 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.858 -10.515 -1.267 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.658 -10.008 -2.741 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.704 -10.138 -2.149 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.529 -10.377 -3.676 1.00 0.00 H new ATOM 372 N LEU A 24 -0.364 -6.620 -1.164 1.00 0.00 N ATOM 373 CA LEU A 24 0.387 -5.629 -0.402 1.00 0.00 C ATOM 374 C LEU A 24 1.049 -4.637 -1.343 1.00 0.00 C ATOM 375 O LEU A 24 1.026 -3.431 -1.104 1.00 0.00 O ATOM 376 CB LEU A 24 1.447 -6.313 0.465 1.00 0.00 C ATOM 377 CG LEU A 24 1.305 -5.842 1.916 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.100 -6.530 2.561 1.00 0.00 C ATOM 379 CD2 LEU A 24 2.571 -6.200 2.701 1.00 0.00 C ATOM 0 H LEU A 24 0.115 -7.511 -1.297 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.306 -5.094 0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.333 -7.396 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.444 -6.078 0.092 1.00 0.00 H new ATOM 0 HG LEU A 24 1.162 -4.762 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.001 -6.195 3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.804 -6.276 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.245 -7.610 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.467 -5.864 3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.716 -7.280 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.432 -5.711 2.245 1.00 0.00 H new ATOM 391 N ILE A 25 1.616 -5.149 -2.425 1.00 0.00 N ATOM 392 CA ILE A 25 2.253 -4.287 -3.404 1.00 0.00 C ATOM 393 C ILE A 25 1.290 -3.171 -3.777 1.00 0.00 C ATOM 394 O ILE A 25 1.701 -2.050 -4.077 1.00 0.00 O ATOM 395 CB ILE A 25 2.633 -5.087 -4.651 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.404 -6.342 -4.234 1.00 0.00 C ATOM 397 CG2 ILE A 25 3.512 -4.228 -5.561 1.00 0.00 C ATOM 398 CD1 ILE A 25 4.599 -5.941 -3.368 1.00 0.00 C ATOM 0 H ILE A 25 1.647 -6.145 -2.644 1.00 0.00 H new ATOM 0 HA ILE A 25 3.163 -3.864 -2.978 1.00 0.00 H new ATOM 0 HB ILE A 25 1.729 -5.376 -5.187 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.750 -7.017 -3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.746 -6.882 -5.117 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.783 -4.798 -6.450 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.964 -3.333 -5.857 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.417 -3.939 -5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.149 -6.834 -3.070 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.256 -5.283 -3.937 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.245 -5.420 -2.479 1.00 0.00 H new ATOM 410 N PHE A 26 0.001 -3.496 -3.755 1.00 0.00 N ATOM 411 CA PHE A 26 -1.033 -2.523 -4.090 1.00 0.00 C ATOM 412 C PHE A 26 -1.063 -1.395 -3.065 1.00 0.00 C ATOM 413 O PHE A 26 -1.076 -0.217 -3.422 1.00 0.00 O ATOM 414 CB PHE A 26 -2.399 -3.209 -4.138 1.00 0.00 C ATOM 415 CG PHE A 26 -3.290 -2.498 -5.128 1.00 0.00 C ATOM 416 CD1 PHE A 26 -2.909 -2.403 -6.472 1.00 0.00 C ATOM 417 CD2 PHE A 26 -4.499 -1.933 -4.702 1.00 0.00 C ATOM 418 CE1 PHE A 26 -3.735 -1.745 -7.389 1.00 0.00 C ATOM 419 CE2 PHE A 26 -5.325 -1.274 -5.621 1.00 0.00 C ATOM 420 CZ PHE A 26 -4.943 -1.180 -6.964 1.00 0.00 C ATOM 0 H PHE A 26 -0.351 -4.421 -3.510 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.804 -2.101 -5.068 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.282 -4.254 -4.424 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.857 -3.199 -3.149 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.977 -2.838 -6.801 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.794 -2.006 -3.666 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.441 -1.673 -8.426 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.257 -0.838 -5.293 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.580 -0.672 -7.672 1.00 0.00 H new ATOM 430 N VAL A 27 -1.072 -1.763 -1.788 1.00 0.00 N ATOM 431 CA VAL A 27 -1.101 -0.772 -0.718 1.00 0.00 C ATOM 432 C VAL A 27 0.127 0.130 -0.792 1.00 0.00 C ATOM 433 O VAL A 27 0.045 1.331 -0.536 1.00 0.00 O ATOM 434 CB VAL A 27 -1.141 -1.473 0.641 1.00 0.00 C ATOM 435 CG1 VAL A 27 -1.327 -0.434 1.749 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.310 -2.464 0.670 1.00 0.00 C ATOM 0 H VAL A 27 -1.060 -2.732 -1.470 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.995 -0.160 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.205 -2.008 0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.355 -0.935 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.496 0.271 1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.262 0.103 1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.339 -2.964 1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.245 -1.928 0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.178 -3.206 -0.118 1.00 0.00 H new ATOM 446 N PHE A 28 1.266 -0.458 -1.145 1.00 0.00 N ATOM 447 CA PHE A 28 2.507 0.302 -1.251 1.00 0.00 C ATOM 448 C PHE A 28 2.473 1.219 -2.468 1.00 0.00 C ATOM 449 O PHE A 28 3.044 2.310 -2.451 1.00 0.00 O ATOM 450 CB PHE A 28 3.698 -0.652 -1.361 1.00 0.00 C ATOM 451 CG PHE A 28 4.965 0.085 -1.000 1.00 0.00 C ATOM 452 CD1 PHE A 28 5.132 0.595 0.293 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.970 0.260 -1.958 1.00 0.00 C ATOM 454 CE1 PHE A 28 6.306 1.281 0.627 1.00 0.00 C ATOM 455 CE2 PHE A 28 7.144 0.945 -1.623 1.00 0.00 C ATOM 456 CZ PHE A 28 7.312 1.455 -0.330 1.00 0.00 C ATOM 0 H PHE A 28 1.356 -1.451 -1.361 1.00 0.00 H new ATOM 0 HA PHE A 28 2.613 0.912 -0.354 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.558 -1.504 -0.696 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.770 -1.047 -2.375 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.356 0.459 1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.840 -0.133 -2.955 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.435 1.676 1.624 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.920 1.080 -2.362 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.218 1.983 -0.071 1.00 0.00 H new ATOM 466 N LEU A 29 1.794 0.773 -3.519 1.00 0.00 N ATOM 467 CA LEU A 29 1.688 1.565 -4.737 1.00 0.00 C ATOM 468 C LEU A 29 0.761 2.751 -4.509 1.00 0.00 C ATOM 469 O LEU A 29 0.941 3.818 -5.095 1.00 0.00 O ATOM 470 CB LEU A 29 1.149 0.703 -5.881 1.00 0.00 C ATOM 471 CG LEU A 29 1.147 1.516 -7.177 1.00 0.00 C ATOM 472 CD1 LEU A 29 2.560 2.031 -7.458 1.00 0.00 C ATOM 473 CD2 LEU A 29 0.687 0.629 -8.337 1.00 0.00 C ATOM 0 H LEU A 29 1.313 -0.126 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 29 2.680 1.931 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.765 -0.189 -6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.139 0.364 -5.650 1.00 0.00 H new ATOM 0 HG LEU A 29 0.466 2.361 -7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.559 2.610 -8.381 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.887 2.664 -6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.241 1.186 -7.560 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.686 1.209 -9.260 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.367 -0.216 -8.440 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.320 0.262 -8.138 1.00 0.00 H new ATOM 485 N PHE A 30 -0.229 2.554 -3.645 1.00 0.00 N ATOM 486 CA PHE A 30 -1.182 3.611 -3.334 1.00 0.00 C ATOM 487 C PHE A 30 -0.520 4.685 -2.477 1.00 0.00 C ATOM 488 O PHE A 30 -0.745 5.879 -2.674 1.00 0.00 O ATOM 489 CB PHE A 30 -2.380 3.027 -2.582 1.00 0.00 C ATOM 490 CG PHE A 30 -3.475 2.677 -3.561 1.00 0.00 C ATOM 491 CD1 PHE A 30 -3.174 1.954 -4.722 1.00 0.00 C ATOM 492 CD2 PHE A 30 -4.793 3.075 -3.307 1.00 0.00 C ATOM 493 CE1 PHE A 30 -4.192 1.628 -5.627 1.00 0.00 C ATOM 494 CE2 PHE A 30 -5.810 2.749 -4.211 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.509 2.026 -5.372 1.00 0.00 C ATOM 0 H PHE A 30 -0.391 1.677 -3.150 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.522 4.059 -4.268 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.076 2.138 -2.029 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.749 3.747 -1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.157 1.648 -4.919 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.025 3.634 -2.413 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.960 1.069 -6.522 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.827 3.055 -4.013 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.294 1.776 -6.071 1.00 0.00 H new ATOM 505 N SER A 31 0.299 4.249 -1.523 1.00 0.00 N ATOM 506 CA SER A 31 0.991 5.178 -0.635 1.00 0.00 C ATOM 507 C SER A 31 2.036 5.980 -1.399 1.00 0.00 C ATOM 508 O SER A 31 2.230 7.170 -1.151 1.00 0.00 O ATOM 509 CB SER A 31 1.665 4.411 0.502 1.00 0.00 C ATOM 510 OG SER A 31 3.002 4.101 0.133 1.00 0.00 O ATOM 0 H SER A 31 0.499 3.265 -1.346 1.00 0.00 H new ATOM 0 HA SER A 31 0.255 5.868 -0.222 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.657 5.008 1.414 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.113 3.496 0.716 1.00 0.00 H new ATOM 0 HG SER A 31 2.996 3.465 -0.613 1.00 0.00 H new ATOM 516 N VAL A 32 2.709 5.314 -2.325 1.00 0.00 N ATOM 517 CA VAL A 32 3.742 5.962 -3.125 1.00 0.00 C ATOM 518 C VAL A 32 3.132 6.997 -4.064 1.00 0.00 C ATOM 519 O VAL A 32 3.620 8.122 -4.164 1.00 0.00 O ATOM 520 CB VAL A 32 4.500 4.916 -3.943 1.00 0.00 C ATOM 521 CG1 VAL A 32 5.532 5.612 -4.833 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.213 3.947 -2.998 1.00 0.00 C ATOM 0 H VAL A 32 2.561 4.328 -2.542 1.00 0.00 H new ATOM 0 HA VAL A 32 4.431 6.467 -2.448 1.00 0.00 H new ATOM 0 HB VAL A 32 3.796 4.364 -4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.072 4.866 -5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.025 6.302 -5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.235 6.165 -4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.753 3.201 -3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.916 4.499 -2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.478 3.450 -2.365 1.00 0.00 H new ATOM 532 N VAL A 33 2.065 6.608 -4.754 1.00 0.00 N ATOM 533 CA VAL A 33 1.404 7.516 -5.684 1.00 0.00 C ATOM 534 C VAL A 33 0.937 8.777 -4.965 1.00 0.00 C ATOM 535 O VAL A 33 1.322 9.885 -5.331 1.00 0.00 O ATOM 536 CB VAL A 33 0.205 6.823 -6.333 1.00 0.00 C ATOM 537 CG1 VAL A 33 -0.762 7.878 -6.872 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.690 5.941 -7.486 1.00 0.00 C ATOM 0 H VAL A 33 1.644 5.681 -4.689 1.00 0.00 H new ATOM 0 HA VAL A 33 2.121 7.796 -6.455 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.304 6.207 -5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.617 7.385 -7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.106 8.508 -6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.253 8.493 -7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.164 5.446 -7.950 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.198 6.558 -8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.381 5.190 -7.104 1.00 0.00 H new ATOM 548 N ILE A 34 0.112 8.597 -3.938 1.00 0.00 N ATOM 549 CA ILE A 34 -0.399 9.731 -3.172 1.00 0.00 C ATOM 550 C ILE A 34 0.744 10.478 -2.504 1.00 0.00 C ATOM 551 O ILE A 34 0.607 11.640 -2.124 1.00 0.00 O ATOM 552 CB ILE A 34 -1.398 9.250 -2.118 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.027 10.460 -1.421 1.00 0.00 C ATOM 554 CG2 ILE A 34 -0.675 8.386 -1.084 1.00 0.00 C ATOM 555 CD1 ILE A 34 -3.119 9.987 -0.461 1.00 0.00 C ATOM 0 H ILE A 34 -0.215 7.685 -3.618 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.907 10.410 -3.856 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.178 8.661 -2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.264 11.015 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.449 11.140 -2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.388 8.044 -0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.227 7.524 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.106 8.973 -0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.566 10.849 0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.887 9.451 -1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.684 9.324 0.287 1.00 0.00 H new ATOM 567 N GLY A 35 1.873 9.803 -2.370 1.00 0.00 N ATOM 568 CA GLY A 35 3.042 10.412 -1.753 1.00 0.00 C ATOM 569 C GLY A 35 3.627 11.483 -2.654 1.00 0.00 C ATOM 570 O GLY A 35 3.765 12.640 -2.259 1.00 0.00 O ATOM 0 H GLY A 35 2.006 8.840 -2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.767 10.848 -0.793 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.793 9.648 -1.553 1.00 0.00 H new ATOM 574 N SER A 36 3.950 11.089 -3.877 1.00 0.00 N ATOM 575 CA SER A 36 4.496 12.022 -4.843 1.00 0.00 C ATOM 576 C SER A 36 3.426 13.035 -5.201 1.00 0.00 C ATOM 577 O SER A 36 3.718 14.160 -5.607 1.00 0.00 O ATOM 578 CB SER A 36 4.952 11.280 -6.099 1.00 0.00 C ATOM 579 OG SER A 36 5.650 12.180 -6.950 1.00 0.00 O ATOM 0 H SER A 36 3.843 10.134 -4.220 1.00 0.00 H new ATOM 0 HA SER A 36 5.359 12.529 -4.412 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.597 10.444 -5.827 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.091 10.862 -6.621 1.00 0.00 H new ATOM 0 HG SER A 36 5.945 11.706 -7.756 1.00 0.00 H new ATOM 585 N ILE A 37 2.176 12.616 -5.038 1.00 0.00 N ATOM 586 CA ILE A 37 1.044 13.488 -5.338 1.00 0.00 C ATOM 587 C ILE A 37 0.897 14.550 -4.251 1.00 0.00 C ATOM 588 O ILE A 37 0.579 15.705 -4.535 1.00 0.00 O ATOM 589 CB ILE A 37 -0.246 12.659 -5.471 1.00 0.00 C ATOM 590 CG1 ILE A 37 -0.920 12.979 -6.808 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.215 12.981 -4.328 1.00 0.00 C ATOM 592 CD1 ILE A 37 -1.320 14.456 -6.842 1.00 0.00 C ATOM 0 H ILE A 37 1.921 11.687 -4.703 1.00 0.00 H new ATOM 0 HA ILE A 37 1.226 13.991 -6.288 1.00 0.00 H new ATOM 0 HB ILE A 37 0.013 11.601 -5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.241 12.757 -7.631 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.800 12.350 -6.942 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.121 12.385 -4.440 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.743 12.748 -3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.472 14.040 -4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.799 14.681 -7.795 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.015 14.664 -6.028 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.431 15.076 -6.728 1.00 0.00 H new ATOM 604 N TYR A 38 1.130 14.145 -3.007 1.00 0.00 N ATOM 605 CA TYR A 38 1.021 15.068 -1.882 1.00 0.00 C ATOM 606 C TYR A 38 1.737 16.377 -2.194 1.00 0.00 C ATOM 607 O TYR A 38 1.178 17.459 -2.015 1.00 0.00 O ATOM 608 CB TYR A 38 1.627 14.439 -0.625 1.00 0.00 C ATOM 609 CG TYR A 38 1.049 15.106 0.600 1.00 0.00 C ATOM 610 CD1 TYR A 38 -0.309 14.956 0.904 1.00 0.00 C ATOM 611 CD2 TYR A 38 1.871 15.877 1.431 1.00 0.00 C ATOM 612 CE1 TYR A 38 -0.845 15.575 2.040 1.00 0.00 C ATOM 613 CE2 TYR A 38 1.335 16.496 2.567 1.00 0.00 C ATOM 614 CZ TYR A 38 -0.023 16.345 2.871 1.00 0.00 C ATOM 615 OH TYR A 38 -0.551 16.955 3.991 1.00 0.00 O ATOM 0 H TYR A 38 1.393 13.193 -2.753 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.035 15.275 -1.709 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.417 13.370 -0.603 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.711 14.551 -0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.944 14.363 0.262 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.919 15.994 1.196 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.893 15.458 2.275 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.969 17.090 3.208 1.00 0.00 H new ATOM 0 HH TYR A 38 0.155 17.450 4.457 1.00 0.00 H new ATOM 625 N LEU A 39 2.976 16.273 -2.663 1.00 0.00 N ATOM 626 CA LEU A 39 3.755 17.458 -2.998 1.00 0.00 C ATOM 627 C LEU A 39 2.959 18.369 -3.927 1.00 0.00 C ATOM 628 O LEU A 39 3.046 19.594 -3.836 1.00 0.00 O ATOM 629 CB LEU A 39 5.063 17.051 -3.679 1.00 0.00 C ATOM 630 CG LEU A 39 6.031 16.497 -2.632 1.00 0.00 C ATOM 631 CD1 LEU A 39 6.664 15.206 -3.155 1.00 0.00 C ATOM 632 CD2 LEU A 39 7.130 17.527 -2.360 1.00 0.00 C ATOM 0 H LEU A 39 3.459 15.388 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 39 3.980 17.996 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.869 16.299 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.507 17.910 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 39 5.489 16.289 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.354 14.811 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.883 14.472 -3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.207 15.414 -4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.821 17.134 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.672 17.733 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.681 18.448 -1.989 1.00 0.00 H new