USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 272 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 THR OG1 : rot -16:sc= 0.2 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 29:sc= -1.26! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 22.812 -24.307 -2.295 1.00 0.00 N ATOM 19 CA THR A 2 22.682 -25.581 -2.993 1.00 0.00 C ATOM 20 C THR A 2 21.569 -26.419 -2.372 1.00 0.00 C ATOM 21 O THR A 2 21.113 -27.397 -2.965 1.00 0.00 O ATOM 22 CB THR A 2 24.003 -26.352 -2.926 1.00 0.00 C ATOM 23 OG1 THR A 2 23.854 -27.600 -3.587 1.00 0.00 O ATOM 24 CG2 THR A 2 24.385 -26.587 -1.464 1.00 0.00 C ATOM 0 HA THR A 2 22.433 -25.380 -4.035 1.00 0.00 H new ATOM 0 HB THR A 2 24.788 -25.774 -3.414 1.00 0.00 H new ATOM 0 HG1 THR A 2 22.901 -27.797 -3.702 1.00 0.00 H new ATOM 0 HG21 THR A 2 25.326 -27.136 -1.417 1.00 0.00 H new ATOM 0 HG22 THR A 2 24.499 -25.628 -0.959 1.00 0.00 H new ATOM 0 HG23 THR A 2 23.603 -27.165 -0.972 1.00 0.00 H new ATOM 32 N TYR A 3 21.138 -26.029 -1.178 1.00 0.00 N ATOM 33 CA TYR A 3 20.078 -26.753 -0.486 1.00 0.00 C ATOM 34 C TYR A 3 18.793 -25.930 -0.468 1.00 0.00 C ATOM 35 O TYR A 3 17.692 -26.480 -0.438 1.00 0.00 O ATOM 36 CB TYR A 3 20.509 -27.064 0.949 1.00 0.00 C ATOM 37 CG TYR A 3 21.940 -26.629 1.151 1.00 0.00 C ATOM 38 CD1 TYR A 3 22.252 -25.265 1.231 1.00 0.00 C ATOM 39 CD2 TYR A 3 22.955 -27.586 1.258 1.00 0.00 C ATOM 40 CE1 TYR A 3 23.580 -24.861 1.418 1.00 0.00 C ATOM 41 CE2 TYR A 3 24.283 -27.182 1.445 1.00 0.00 C ATOM 42 CZ TYR A 3 24.595 -25.819 1.525 1.00 0.00 C ATOM 43 OH TYR A 3 25.904 -25.421 1.710 1.00 0.00 O ATOM 0 H TYR A 3 21.503 -25.222 -0.672 1.00 0.00 H new ATOM 0 HA TYR A 3 19.891 -27.686 -1.018 1.00 0.00 H new ATOM 0 HB2 TYR A 3 19.858 -26.549 1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 3 20.411 -28.132 1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 3 21.469 -24.526 1.149 1.00 0.00 H new ATOM 0 HD2 TYR A 3 22.714 -28.637 1.196 1.00 0.00 H new ATOM 0 HE1 TYR A 3 23.821 -23.810 1.480 1.00 0.00 H new ATOM 0 HE2 TYR A 3 25.066 -27.921 1.527 1.00 0.00 H new ATOM 0 HH TYR A 3 26.481 -26.211 1.765 1.00 0.00 H new ATOM 53 N PHE A 4 18.942 -24.609 -0.490 1.00 0.00 N ATOM 54 CA PHE A 4 17.784 -23.721 -0.476 1.00 0.00 C ATOM 55 C PHE A 4 16.855 -24.032 -1.645 1.00 0.00 C ATOM 56 O PHE A 4 15.642 -23.843 -1.553 1.00 0.00 O ATOM 57 CB PHE A 4 18.244 -22.264 -0.561 1.00 0.00 C ATOM 58 CG PHE A 4 17.051 -21.373 -0.809 1.00 0.00 C ATOM 59 CD1 PHE A 4 15.945 -21.430 0.049 1.00 0.00 C ATOM 60 CD2 PHE A 4 17.049 -20.492 -1.897 1.00 0.00 C ATOM 61 CE1 PHE A 4 14.838 -20.606 -0.182 1.00 0.00 C ATOM 62 CE2 PHE A 4 15.941 -19.668 -2.127 1.00 0.00 C ATOM 63 CZ PHE A 4 14.835 -19.725 -1.269 1.00 0.00 C ATOM 0 H PHE A 4 19.844 -24.133 -0.517 1.00 0.00 H new ATOM 0 HA PHE A 4 17.241 -23.878 0.456 1.00 0.00 H new ATOM 0 HB2 PHE A 4 18.742 -21.974 0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.972 -22.147 -1.364 1.00 0.00 H new ATOM 0 HD1 PHE A 4 15.947 -22.110 0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 4 17.902 -20.448 -2.558 1.00 0.00 H new ATOM 0 HE1 PHE A 4 13.985 -20.650 0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.939 -18.988 -2.966 1.00 0.00 H new ATOM 0 HZ PHE A 4 13.980 -19.089 -1.447 1.00 0.00 H new ATOM 73 N TYR A 5 17.432 -24.514 -2.741 1.00 0.00 N ATOM 74 CA TYR A 5 16.644 -24.851 -3.922 1.00 0.00 C ATOM 75 C TYR A 5 16.025 -26.237 -3.773 1.00 0.00 C ATOM 76 O TYR A 5 14.836 -26.426 -4.028 1.00 0.00 O ATOM 77 CB TYR A 5 17.530 -24.817 -5.169 1.00 0.00 C ATOM 78 CG TYR A 5 16.836 -25.537 -6.300 1.00 0.00 C ATOM 79 CD1 TYR A 5 15.857 -24.877 -7.052 1.00 0.00 C ATOM 80 CD2 TYR A 5 17.172 -26.863 -6.597 1.00 0.00 C ATOM 81 CE1 TYR A 5 15.214 -25.544 -8.103 1.00 0.00 C ATOM 82 CE2 TYR A 5 16.530 -27.529 -7.648 1.00 0.00 C ATOM 83 CZ TYR A 5 15.551 -26.869 -8.400 1.00 0.00 C ATOM 84 OH TYR A 5 14.916 -27.526 -9.435 1.00 0.00 O ATOM 0 H TYR A 5 18.434 -24.679 -2.837 1.00 0.00 H new ATOM 0 HA TYR A 5 15.845 -24.117 -4.025 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.737 -23.785 -5.453 1.00 0.00 H new ATOM 0 HB3 TYR A 5 18.490 -25.288 -4.959 1.00 0.00 H new ATOM 0 HD1 TYR A 5 15.597 -23.854 -6.822 1.00 0.00 H new ATOM 0 HD2 TYR A 5 17.926 -27.372 -6.016 1.00 0.00 H new ATOM 0 HE1 TYR A 5 14.459 -25.036 -8.684 1.00 0.00 H new ATOM 0 HE2 TYR A 5 16.790 -28.552 -7.878 1.00 0.00 H new ATOM 0 HH TYR A 5 15.268 -28.438 -9.508 1.00 0.00 H new ATOM 94 N VAL A 6 16.839 -27.201 -3.355 1.00 0.00 N ATOM 95 CA VAL A 6 16.359 -28.565 -3.173 1.00 0.00 C ATOM 96 C VAL A 6 15.246 -28.607 -2.132 1.00 0.00 C ATOM 97 O VAL A 6 14.435 -29.534 -2.114 1.00 0.00 O ATOM 98 CB VAL A 6 17.510 -29.469 -2.729 1.00 0.00 C ATOM 99 CG1 VAL A 6 17.012 -30.910 -2.608 1.00 0.00 C ATOM 100 CG2 VAL A 6 18.636 -29.405 -3.764 1.00 0.00 C ATOM 0 H VAL A 6 17.826 -27.064 -3.138 1.00 0.00 H new ATOM 0 HA VAL A 6 15.964 -28.921 -4.125 1.00 0.00 H new ATOM 0 HB VAL A 6 17.883 -29.132 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 6 17.833 -31.553 -2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 6 16.210 -30.957 -1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.638 -31.248 -3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 6 19.457 -30.049 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 6 18.261 -29.742 -4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 6 18.993 -28.379 -3.851 1.00 0.00 H new ATOM 110 N THR A 7 15.213 -27.600 -1.266 1.00 0.00 N ATOM 111 CA THR A 7 14.193 -27.532 -0.225 1.00 0.00 C ATOM 112 C THR A 7 12.830 -27.219 -0.832 1.00 0.00 C ATOM 113 O THR A 7 11.793 -27.507 -0.235 1.00 0.00 O ATOM 114 CB THR A 7 14.559 -26.454 0.797 1.00 0.00 C ATOM 115 OG1 THR A 7 15.140 -25.345 0.125 1.00 0.00 O ATOM 116 CG2 THR A 7 15.557 -27.022 1.806 1.00 0.00 C ATOM 0 H THR A 7 15.876 -26.825 -1.263 1.00 0.00 H new ATOM 0 HA THR A 7 14.143 -28.500 0.273 1.00 0.00 H new ATOM 0 HB THR A 7 13.660 -26.131 1.322 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.782 -25.290 -0.786 1.00 0.00 H new ATOM 0 HG21 THR A 7 15.817 -26.253 2.533 1.00 0.00 H new ATOM 0 HG22 THR A 7 15.110 -27.872 2.321 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.457 -27.347 1.284 1.00 0.00 H new ATOM 124 N ASP A 8 12.839 -26.626 -2.021 1.00 0.00 N ATOM 125 CA ASP A 8 11.596 -26.279 -2.699 1.00 0.00 C ATOM 126 C ASP A 8 10.696 -27.499 -2.823 1.00 0.00 C ATOM 127 O ASP A 8 9.482 -27.380 -2.986 1.00 0.00 O ATOM 128 CB ASP A 8 11.893 -25.712 -4.089 1.00 0.00 C ATOM 129 CG ASP A 8 12.674 -24.408 -3.962 1.00 0.00 C ATOM 130 OD1 ASP A 8 13.192 -24.153 -2.889 1.00 0.00 O ATOM 131 OD2 ASP A 8 12.742 -23.683 -4.942 1.00 0.00 O ATOM 0 H ASP A 8 13.686 -26.377 -2.532 1.00 0.00 H new ATOM 0 HA ASP A 8 11.082 -25.523 -2.106 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.466 -26.434 -4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.961 -25.537 -4.627 1.00 0.00 H new ATOM 136 N TYR A 9 11.307 -28.668 -2.742 1.00 0.00 N ATOM 137 CA TYR A 9 10.565 -29.921 -2.844 1.00 0.00 C ATOM 138 C TYR A 9 9.453 -29.972 -1.801 1.00 0.00 C ATOM 139 O TYR A 9 8.357 -30.461 -2.071 1.00 0.00 O ATOM 140 CB TYR A 9 11.512 -31.105 -2.643 1.00 0.00 C ATOM 141 CG TYR A 9 11.009 -32.291 -3.431 1.00 0.00 C ATOM 142 CD1 TYR A 9 11.099 -32.293 -4.829 1.00 0.00 C ATOM 143 CD2 TYR A 9 10.453 -33.389 -2.766 1.00 0.00 C ATOM 144 CE1 TYR A 9 10.635 -33.392 -5.559 1.00 0.00 C ATOM 145 CE2 TYR A 9 9.988 -34.490 -3.496 1.00 0.00 C ATOM 146 CZ TYR A 9 10.079 -34.491 -4.893 1.00 0.00 C ATOM 147 OH TYR A 9 9.620 -35.576 -5.613 1.00 0.00 O ATOM 0 H TYR A 9 12.312 -28.780 -2.606 1.00 0.00 H new ATOM 0 HA TYR A 9 10.118 -29.978 -3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 9 12.518 -30.839 -2.968 1.00 0.00 H new ATOM 0 HB3 TYR A 9 11.575 -31.358 -1.585 1.00 0.00 H new ATOM 0 HD1 TYR A 9 11.527 -31.445 -5.343 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.382 -33.388 -1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 9 10.706 -33.393 -6.637 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.560 -35.338 -2.982 1.00 0.00 H new ATOM 0 HH TYR A 9 9.266 -36.251 -4.997 1.00 0.00 H new ATOM 157 N LEU A 10 9.744 -29.466 -0.606 1.00 0.00 N ATOM 158 CA LEU A 10 8.759 -29.462 0.470 1.00 0.00 C ATOM 159 C LEU A 10 8.364 -28.032 0.832 1.00 0.00 C ATOM 160 O LEU A 10 8.093 -27.729 1.995 1.00 0.00 O ATOM 161 CB LEU A 10 9.329 -30.166 1.704 1.00 0.00 C ATOM 162 CG LEU A 10 10.758 -29.681 1.957 1.00 0.00 C ATOM 163 CD1 LEU A 10 10.915 -29.298 3.429 1.00 0.00 C ATOM 164 CD2 LEU A 10 11.746 -30.801 1.617 1.00 0.00 C ATOM 0 H LEU A 10 10.645 -29.057 -0.360 1.00 0.00 H new ATOM 0 HA LEU A 10 7.872 -29.995 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.705 -29.960 2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.322 -31.246 1.555 1.00 0.00 H new ATOM 0 HG LEU A 10 10.961 -28.812 1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.933 -28.953 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.213 -28.501 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.711 -30.167 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 10 12.764 -30.455 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.541 -31.669 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 10 11.637 -31.076 0.568 1.00 0.00 H new ATOM 272 N LYS A 18 3.655 -14.283 -5.012 1.00 0.00 N ATOM 273 CA LYS A 18 3.197 -13.192 -5.861 1.00 0.00 C ATOM 274 C LYS A 18 1.737 -12.910 -5.579 1.00 0.00 C ATOM 275 O LYS A 18 1.273 -11.773 -5.670 1.00 0.00 O ATOM 276 CB LYS A 18 3.382 -13.555 -7.335 1.00 0.00 C ATOM 277 CG LYS A 18 2.993 -12.362 -8.210 1.00 0.00 C ATOM 278 CD LYS A 18 2.950 -12.795 -9.676 1.00 0.00 C ATOM 279 CE LYS A 18 3.452 -11.653 -10.561 1.00 0.00 C ATOM 280 NZ LYS A 18 3.652 -12.152 -11.950 1.00 0.00 N ATOM 0 HA LYS A 18 3.786 -12.301 -5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.418 -13.835 -7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.768 -14.419 -7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.020 -11.976 -7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.712 -11.553 -8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.568 -13.681 -9.823 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.932 -13.066 -9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.734 -10.833 -10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.388 -11.258 -10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.993 -11.376 -12.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.353 -12.920 -11.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.750 -12.509 -12.324 1.00 0.00 H new ATOM 294 N ILE A 19 1.023 -13.963 -5.218 1.00 0.00 N ATOM 295 CA ILE A 19 -0.388 -13.842 -4.899 1.00 0.00 C ATOM 296 C ILE A 19 -0.530 -13.261 -3.504 1.00 0.00 C ATOM 297 O ILE A 19 -1.580 -12.731 -3.141 1.00 0.00 O ATOM 298 CB ILE A 19 -1.059 -15.215 -4.955 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.449 -15.539 -6.401 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.311 -15.211 -4.076 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.449 -14.499 -6.916 1.00 0.00 C ATOM 0 H ILE A 19 1.397 -14.909 -5.139 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.869 -13.187 -5.625 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.363 -15.971 -4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.561 -15.547 -7.033 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.887 -16.536 -6.454 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.788 -16.190 -4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.032 -14.986 -3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.007 -14.453 -4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.722 -14.735 -7.944 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.342 -14.512 -6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.995 -13.509 -6.879 1.00 0.00 H new ATOM 313 N ILE A 20 0.543 -13.364 -2.728 1.00 0.00 N ATOM 314 CA ILE A 20 0.530 -12.836 -1.364 1.00 0.00 C ATOM 315 C ILE A 20 1.172 -11.451 -1.313 1.00 0.00 C ATOM 316 O ILE A 20 0.875 -10.654 -0.424 1.00 0.00 O ATOM 317 CB ILE A 20 1.274 -13.775 -0.416 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.996 -13.360 1.031 1.00 0.00 C ATOM 319 CG2 ILE A 20 2.775 -13.686 -0.688 1.00 0.00 C ATOM 320 CD1 ILE A 20 -0.502 -13.463 1.315 1.00 0.00 C ATOM 0 H ILE A 20 1.420 -13.800 -3.011 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.510 -12.758 -1.048 1.00 0.00 H new ATOM 0 HB ILE A 20 0.934 -14.798 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.551 -14.000 1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.339 -12.339 1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.308 -14.355 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.976 -13.976 -1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.114 -12.663 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.698 -13.167 2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.047 -12.804 0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.831 -14.491 1.164 1.00 0.00 H new ATOM 332 N ILE A 21 2.050 -11.172 -2.270 1.00 0.00 N ATOM 333 CA ILE A 21 2.725 -9.878 -2.319 1.00 0.00 C ATOM 334 C ILE A 21 1.937 -8.893 -3.177 1.00 0.00 C ATOM 335 O ILE A 21 1.773 -7.729 -2.811 1.00 0.00 O ATOM 336 CB ILE A 21 4.132 -10.044 -2.892 1.00 0.00 C ATOM 337 CG1 ILE A 21 5.035 -10.702 -1.845 1.00 0.00 C ATOM 338 CG2 ILE A 21 4.697 -8.669 -3.259 1.00 0.00 C ATOM 339 CD1 ILE A 21 6.431 -10.918 -2.433 1.00 0.00 C ATOM 0 H ILE A 21 2.310 -11.817 -3.016 1.00 0.00 H new ATOM 0 HA ILE A 21 2.790 -9.486 -1.304 1.00 0.00 H new ATOM 0 HB ILE A 21 4.091 -10.671 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.097 -10.073 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.610 -11.656 -1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.701 -8.785 -3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.054 -8.198 -4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.739 -8.043 -2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.072 -11.386 -1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.361 -11.564 -3.308 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.856 -9.957 -2.724 1.00 0.00 H new ATOM 351 N GLY A 22 1.454 -9.369 -4.320 1.00 0.00 N ATOM 352 CA GLY A 22 0.684 -8.522 -5.225 1.00 0.00 C ATOM 353 C GLY A 22 -0.350 -7.705 -4.460 1.00 0.00 C ATOM 354 O GLY A 22 -0.450 -6.490 -4.634 1.00 0.00 O ATOM 0 H GLY A 22 1.580 -10.329 -4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.356 -7.853 -5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.185 -9.140 -5.971 1.00 0.00 H new ATOM 358 N PRO A 23 -1.114 -8.349 -3.620 1.00 0.00 N ATOM 359 CA PRO A 23 -2.166 -7.674 -2.805 1.00 0.00 C ATOM 360 C PRO A 23 -1.606 -6.492 -2.020 1.00 0.00 C ATOM 361 O PRO A 23 -2.271 -5.468 -1.867 1.00 0.00 O ATOM 362 CB PRO A 23 -2.662 -8.771 -1.859 1.00 0.00 C ATOM 363 CG PRO A 23 -2.315 -10.060 -2.528 1.00 0.00 C ATOM 364 CD PRO A 23 -1.060 -9.795 -3.358 1.00 0.00 C ATOM 0 HA PRO A 23 -2.959 -7.257 -3.426 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.183 -8.694 -0.883 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.736 -8.691 -1.694 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.135 -10.843 -1.791 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.134 -10.401 -3.161 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.156 -10.070 -2.815 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.063 -10.370 -4.284 1.00 0.00 H new ATOM 372 N LEU A 24 -0.377 -6.636 -1.533 1.00 0.00 N ATOM 373 CA LEU A 24 0.256 -5.564 -0.775 1.00 0.00 C ATOM 374 C LEU A 24 0.785 -4.499 -1.720 1.00 0.00 C ATOM 375 O LEU A 24 0.687 -3.304 -1.446 1.00 0.00 O ATOM 376 CB LEU A 24 1.400 -6.119 0.077 1.00 0.00 C ATOM 377 CG LEU A 24 1.610 -5.222 1.299 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.420 -5.366 2.252 1.00 0.00 C ATOM 379 CD2 LEU A 24 2.896 -5.637 2.020 1.00 0.00 C ATOM 0 H LEU A 24 0.194 -7.474 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.488 -5.117 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.170 -7.136 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.316 -6.168 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 24 1.692 -4.184 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.571 -4.727 3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.495 -5.070 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.336 -6.404 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.047 -4.999 2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.814 -6.675 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.743 -5.532 1.342 1.00 0.00 H new ATOM 391 N ILE A 25 1.323 -4.939 -2.847 1.00 0.00 N ATOM 392 CA ILE A 25 1.835 -4.011 -3.838 1.00 0.00 C ATOM 393 C ILE A 25 0.771 -2.964 -4.138 1.00 0.00 C ATOM 394 O ILE A 25 1.079 -1.814 -4.446 1.00 0.00 O ATOM 395 CB ILE A 25 2.212 -4.764 -5.118 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.678 -5.197 -5.035 1.00 0.00 C ATOM 397 CG2 ILE A 25 2.020 -3.852 -6.333 1.00 0.00 C ATOM 398 CD1 ILE A 25 4.039 -6.023 -6.271 1.00 0.00 C ATOM 0 H ILE A 25 1.415 -5.924 -3.095 1.00 0.00 H new ATOM 0 HA ILE A 25 2.728 -3.520 -3.451 1.00 0.00 H new ATOM 0 HB ILE A 25 1.573 -5.641 -5.223 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.323 -4.321 -4.969 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.844 -5.784 -4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.290 -4.393 -7.240 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.977 -3.540 -6.393 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.656 -2.973 -6.232 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.083 -6.331 -6.211 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.402 -6.907 -6.317 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.889 -5.421 -7.167 1.00 0.00 H new ATOM 410 N PHE A 26 -0.489 -3.384 -4.053 1.00 0.00 N ATOM 411 CA PHE A 26 -1.608 -2.488 -4.324 1.00 0.00 C ATOM 412 C PHE A 26 -1.567 -1.264 -3.412 1.00 0.00 C ATOM 413 O PHE A 26 -1.654 -0.129 -3.881 1.00 0.00 O ATOM 414 CB PHE A 26 -2.926 -3.235 -4.116 1.00 0.00 C ATOM 415 CG PHE A 26 -4.042 -2.502 -4.820 1.00 0.00 C ATOM 416 CD1 PHE A 26 -4.559 -1.323 -4.271 1.00 0.00 C ATOM 417 CD2 PHE A 26 -4.561 -3.003 -6.019 1.00 0.00 C ATOM 418 CE1 PHE A 26 -5.596 -0.644 -4.922 1.00 0.00 C ATOM 419 CE2 PHE A 26 -5.598 -2.324 -6.670 1.00 0.00 C ATOM 420 CZ PHE A 26 -6.115 -1.145 -6.122 1.00 0.00 C ATOM 0 H PHE A 26 -0.759 -4.334 -3.800 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.532 -2.150 -5.357 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.844 -4.251 -4.503 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.146 -3.316 -3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.158 -0.937 -3.345 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.162 -3.913 -6.442 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.995 0.266 -4.499 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.999 -2.710 -7.595 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.915 -0.621 -6.625 1.00 0.00 H new ATOM 430 N VAL A 27 -1.436 -1.497 -2.109 1.00 0.00 N ATOM 431 CA VAL A 27 -1.387 -0.396 -1.151 1.00 0.00 C ATOM 432 C VAL A 27 -0.060 0.348 -1.249 1.00 0.00 C ATOM 433 O VAL A 27 0.001 1.558 -1.040 1.00 0.00 O ATOM 434 CB VAL A 27 -1.581 -0.919 0.273 1.00 0.00 C ATOM 435 CG1 VAL A 27 -3.057 -1.256 0.497 1.00 0.00 C ATOM 436 CG2 VAL A 27 -0.737 -2.179 0.475 1.00 0.00 C ATOM 0 H VAL A 27 -1.363 -2.427 -1.696 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.195 0.296 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.269 -0.154 0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.195 -1.629 1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.661 -0.360 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.368 -2.020 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.876 -2.551 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.048 -2.943 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.315 -1.942 0.316 1.00 0.00 H new ATOM 446 N PHE A 28 1.003 -0.384 -1.567 1.00 0.00 N ATOM 447 CA PHE A 28 2.325 0.220 -1.688 1.00 0.00 C ATOM 448 C PHE A 28 2.358 1.199 -2.856 1.00 0.00 C ATOM 449 O PHE A 28 2.955 2.270 -2.765 1.00 0.00 O ATOM 450 CB PHE A 28 3.381 -0.866 -1.901 1.00 0.00 C ATOM 451 CG PHE A 28 4.699 -0.403 -1.328 1.00 0.00 C ATOM 452 CD1 PHE A 28 5.524 0.453 -2.069 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.096 -0.828 -0.055 1.00 0.00 C ATOM 454 CE1 PHE A 28 6.745 0.882 -1.537 1.00 0.00 C ATOM 455 CE2 PHE A 28 6.316 -0.398 0.478 1.00 0.00 C ATOM 456 CZ PHE A 28 7.142 0.457 -0.264 1.00 0.00 C ATOM 0 H PHE A 28 0.976 -1.388 -1.744 1.00 0.00 H new ATOM 0 HA PHE A 28 2.543 0.760 -0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.068 -1.792 -1.420 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.489 -1.080 -2.964 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.218 0.782 -3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.460 -1.488 0.516 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.381 1.541 -2.109 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.621 -0.725 1.461 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.085 0.788 0.146 1.00 0.00 H new ATOM 466 N LEU A 29 1.708 0.822 -3.951 1.00 0.00 N ATOM 467 CA LEU A 29 1.665 1.675 -5.131 1.00 0.00 C ATOM 468 C LEU A 29 0.740 2.861 -4.888 1.00 0.00 C ATOM 469 O LEU A 29 0.989 3.966 -5.369 1.00 0.00 O ATOM 470 CB LEU A 29 1.172 0.877 -6.338 1.00 0.00 C ATOM 471 CG LEU A 29 0.897 1.831 -7.501 1.00 0.00 C ATOM 472 CD1 LEU A 29 1.443 1.231 -8.798 1.00 0.00 C ATOM 473 CD2 LEU A 29 -0.611 2.047 -7.636 1.00 0.00 C ATOM 0 H LEU A 29 1.207 -0.062 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 29 2.671 2.043 -5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.919 0.138 -6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.265 0.330 -6.080 1.00 0.00 H new ATOM 0 HG LEU A 29 1.387 2.786 -7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.246 1.913 -9.625 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.518 1.077 -8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.955 0.276 -8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.808 2.727 -8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.100 1.092 -7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.001 2.477 -6.713 1.00 0.00 H new ATOM 485 N PHE A 30 -0.324 2.621 -4.130 1.00 0.00 N ATOM 486 CA PHE A 30 -1.280 3.675 -3.816 1.00 0.00 C ATOM 487 C PHE A 30 -0.649 4.694 -2.874 1.00 0.00 C ATOM 488 O PHE A 30 -0.821 5.902 -3.043 1.00 0.00 O ATOM 489 CB PHE A 30 -2.526 3.070 -3.160 1.00 0.00 C ATOM 490 CG PHE A 30 -3.757 3.444 -3.953 1.00 0.00 C ATOM 491 CD1 PHE A 30 -4.031 2.797 -5.163 1.00 0.00 C ATOM 492 CD2 PHE A 30 -4.623 4.435 -3.476 1.00 0.00 C ATOM 493 CE1 PHE A 30 -5.172 3.143 -5.898 1.00 0.00 C ATOM 494 CE2 PHE A 30 -5.764 4.780 -4.211 1.00 0.00 C ATOM 495 CZ PHE A 30 -6.038 4.134 -5.422 1.00 0.00 C ATOM 0 H PHE A 30 -0.545 1.712 -3.724 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.566 4.176 -4.741 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.431 1.985 -3.109 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.619 3.430 -2.135 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.363 2.032 -5.530 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.411 4.933 -2.542 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.384 2.645 -6.833 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.432 5.544 -3.843 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.918 4.400 -5.989 1.00 0.00 H new ATOM 505 N SER A 31 0.085 4.196 -1.885 1.00 0.00 N ATOM 506 CA SER A 31 0.745 5.068 -0.920 1.00 0.00 C ATOM 507 C SER A 31 1.864 5.853 -1.588 1.00 0.00 C ATOM 508 O SER A 31 2.041 7.045 -1.339 1.00 0.00 O ATOM 509 CB SER A 31 1.315 4.238 0.231 1.00 0.00 C ATOM 510 OG SER A 31 1.651 5.101 1.310 1.00 0.00 O ATOM 0 H SER A 31 0.238 3.199 -1.731 1.00 0.00 H new ATOM 0 HA SER A 31 0.008 5.770 -0.529 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.585 3.497 0.557 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.198 3.692 -0.101 1.00 0.00 H new ATOM 0 HG SER A 31 2.015 4.572 2.050 1.00 0.00 H new ATOM 516 N VAL A 32 2.612 5.170 -2.439 1.00 0.00 N ATOM 517 CA VAL A 32 3.717 5.800 -3.151 1.00 0.00 C ATOM 518 C VAL A 32 3.201 6.914 -4.053 1.00 0.00 C ATOM 519 O VAL A 32 3.855 7.944 -4.221 1.00 0.00 O ATOM 520 CB VAL A 32 4.457 4.758 -3.991 1.00 0.00 C ATOM 521 CG1 VAL A 32 5.336 5.466 -5.023 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.335 3.897 -3.078 1.00 0.00 C ATOM 0 H VAL A 32 2.477 4.182 -2.655 1.00 0.00 H new ATOM 0 HA VAL A 32 4.403 6.228 -2.420 1.00 0.00 H new ATOM 0 HB VAL A 32 3.734 4.124 -4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.864 4.724 -5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.712 6.080 -5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.060 6.100 -4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.863 3.154 -3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.059 4.531 -2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.709 3.392 -2.342 1.00 0.00 H new ATOM 532 N VAL A 33 2.023 6.702 -4.630 1.00 0.00 N ATOM 533 CA VAL A 33 1.424 7.696 -5.513 1.00 0.00 C ATOM 534 C VAL A 33 0.961 8.908 -4.712 1.00 0.00 C ATOM 535 O VAL A 33 1.274 10.049 -5.055 1.00 0.00 O ATOM 536 CB VAL A 33 0.234 7.086 -6.254 1.00 0.00 C ATOM 537 CG1 VAL A 33 -0.700 8.201 -6.724 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.739 6.299 -7.466 1.00 0.00 C ATOM 0 H VAL A 33 1.467 5.856 -4.503 1.00 0.00 H new ATOM 0 HA VAL A 33 2.175 8.016 -6.236 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.307 6.417 -5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.549 7.766 -7.252 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.059 8.763 -5.862 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.160 8.870 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.108 5.863 -7.996 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.280 6.968 -8.135 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.406 5.504 -7.132 1.00 0.00 H new ATOM 548 N ILE A 34 0.215 8.653 -3.642 1.00 0.00 N ATOM 549 CA ILE A 34 -0.285 9.729 -2.795 1.00 0.00 C ATOM 550 C ILE A 34 0.868 10.454 -2.119 1.00 0.00 C ATOM 551 O ILE A 34 0.730 11.595 -1.677 1.00 0.00 O ATOM 552 CB ILE A 34 -1.226 9.161 -1.733 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.527 8.705 -2.399 1.00 0.00 C ATOM 554 CG2 ILE A 34 -1.535 10.238 -0.693 1.00 0.00 C ATOM 555 CD1 ILE A 34 -3.159 7.584 -1.572 1.00 0.00 C ATOM 0 H ILE A 34 -0.055 7.716 -3.342 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.829 10.437 -3.420 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.750 8.312 -1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.218 9.544 -2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.326 8.355 -3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.206 9.831 0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.609 10.563 -0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.011 11.089 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.085 7.260 -2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.468 6.743 -1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.374 7.950 -0.568 1.00 0.00 H new ATOM 567 N GLY A 35 2.002 9.777 -2.039 1.00 0.00 N ATOM 568 CA GLY A 35 3.184 10.348 -1.408 1.00 0.00 C ATOM 569 C GLY A 35 3.855 11.378 -2.299 1.00 0.00 C ATOM 570 O GLY A 35 4.031 12.533 -1.911 1.00 0.00 O ATOM 0 H GLY A 35 2.130 8.833 -2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.903 10.812 -0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.892 9.553 -1.175 1.00 0.00 H new ATOM 574 N SER A 36 4.221 10.951 -3.499 1.00 0.00 N ATOM 575 CA SER A 36 4.864 11.846 -4.444 1.00 0.00 C ATOM 576 C SER A 36 3.862 12.886 -4.896 1.00 0.00 C ATOM 577 O SER A 36 4.224 13.993 -5.295 1.00 0.00 O ATOM 578 CB SER A 36 5.379 11.062 -5.651 1.00 0.00 C ATOM 579 OG SER A 36 6.147 11.927 -6.479 1.00 0.00 O ATOM 0 H SER A 36 4.084 9.998 -3.837 1.00 0.00 H new ATOM 0 HA SER A 36 5.711 12.334 -3.962 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.988 10.221 -5.320 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.543 10.648 -6.214 1.00 0.00 H new ATOM 0 HG SER A 36 6.480 11.428 -7.253 1.00 0.00 H new ATOM 585 N ILE A 37 2.594 12.512 -4.822 1.00 0.00 N ATOM 586 CA ILE A 37 1.523 13.417 -5.219 1.00 0.00 C ATOM 587 C ILE A 37 1.327 14.496 -4.162 1.00 0.00 C ATOM 588 O ILE A 37 1.084 15.659 -4.482 1.00 0.00 O ATOM 589 CB ILE A 37 0.223 12.642 -5.418 1.00 0.00 C ATOM 590 CG1 ILE A 37 0.264 11.914 -6.765 1.00 0.00 C ATOM 591 CG2 ILE A 37 -0.962 13.611 -5.397 1.00 0.00 C ATOM 592 CD1 ILE A 37 -0.074 12.893 -7.892 1.00 0.00 C ATOM 0 H ILE A 37 2.282 11.598 -4.494 1.00 0.00 H new ATOM 0 HA ILE A 37 1.799 13.891 -6.161 1.00 0.00 H new ATOM 0 HB ILE A 37 0.109 11.915 -4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.253 11.485 -6.927 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.446 11.087 -6.764 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.889 13.055 -5.539 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.992 14.128 -4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.850 14.341 -6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.044 12.371 -8.849 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.072 13.301 -7.733 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.653 13.705 -7.899 1.00 0.00 H new ATOM 604 N TYR A 38 1.439 14.100 -2.897 1.00 0.00 N ATOM 605 CA TYR A 38 1.275 15.043 -1.797 1.00 0.00 C ATOM 606 C TYR A 38 2.245 16.210 -1.947 1.00 0.00 C ATOM 607 O TYR A 38 1.861 17.371 -1.801 1.00 0.00 O ATOM 608 CB TYR A 38 1.524 14.340 -0.460 1.00 0.00 C ATOM 609 CG TYR A 38 0.204 14.089 0.230 1.00 0.00 C ATOM 610 CD1 TYR A 38 -0.859 13.522 -0.482 1.00 0.00 C ATOM 611 CD2 TYR A 38 0.046 14.422 1.580 1.00 0.00 C ATOM 612 CE1 TYR A 38 -2.084 13.291 0.157 1.00 0.00 C ATOM 613 CE2 TYR A 38 -1.178 14.190 2.219 1.00 0.00 C ATOM 614 CZ TYR A 38 -2.243 13.624 1.507 1.00 0.00 C ATOM 615 OH TYR A 38 -3.451 13.395 2.135 1.00 0.00 O ATOM 0 H TYR A 38 1.641 13.142 -2.611 1.00 0.00 H new ATOM 0 HA TYR A 38 0.254 15.425 -1.820 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.046 13.397 -0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.166 14.954 0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.735 13.263 -1.523 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.868 14.858 2.129 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.906 12.856 -0.392 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.301 14.447 3.261 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.393 13.681 3.070 1.00 0.00 H new ATOM 625 N LEU A 39 3.502 15.895 -2.244 1.00 0.00 N ATOM 626 CA LEU A 39 4.515 16.930 -2.415 1.00 0.00 C ATOM 627 C LEU A 39 3.962 18.074 -3.258 1.00 0.00 C ATOM 628 O LEU A 39 4.377 19.224 -3.111 1.00 0.00 O ATOM 629 CB LEU A 39 5.754 16.344 -3.095 1.00 0.00 C ATOM 630 CG LEU A 39 7.013 16.864 -2.401 1.00 0.00 C ATOM 631 CD1 LEU A 39 8.246 16.204 -3.020 1.00 0.00 C ATOM 632 CD2 LEU A 39 7.103 18.381 -2.581 1.00 0.00 C ATOM 0 H LEU A 39 3.841 14.941 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 39 4.791 17.312 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.725 15.255 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.767 16.620 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 39 6.968 16.625 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.144 16.575 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.182 15.123 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.292 16.443 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.000 18.753 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.149 18.619 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.224 18.852 -2.141 1.00 0.00 H new