USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 263 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 1 ASN : amide:sc= 0.0824 K(o=0.082,f=-1.8!) USER MOD Single : A 1 ASN N :NH3+ 170:sc= 0.031 (180deg=-0.0946) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 11 LYS NZ :NH3+ 146:sc= -0.368 (180deg=-1.47!) USER MOD Single : A 14 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.25) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 61:sc= 0.882 USER MOD Single : A 18 SER OG : rot 28:sc= -1.16 USER MOD Single : A 24 GLN : amide:sc= -0.817 K(o=-0.82,f=-5.7!) USER MOD Single : A 25 HIS : no HD1:sc= -1.04 X(o=-1,f=-1.2) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 36.855 -40.886 23.130 1.00 0.00 N ATOM 2 CA ASN A 1 35.711 -40.220 22.447 1.00 0.00 C ATOM 3 C ASN A 1 36.111 -39.854 21.016 1.00 0.00 C ATOM 4 O ASN A 1 35.429 -39.107 20.343 1.00 0.00 O ATOM 5 CB ASN A 1 35.330 -38.949 23.211 1.00 0.00 C ATOM 6 CG ASN A 1 34.577 -39.324 24.488 1.00 0.00 C ATOM 7 OD1 ASN A 1 35.111 -39.994 25.349 1.00 0.00 O ATOM 8 ND2 ASN A 1 33.347 -38.917 24.649 1.00 0.00 N ATOM 0 H1 ASN A 1 36.646 -40.981 24.144 1.00 0.00 H new ATOM 0 H2 ASN A 1 37.005 -41.829 22.717 1.00 0.00 H new ATOM 0 H3 ASN A 1 37.714 -40.313 23.006 1.00 0.00 H new ATOM 0 HA ASN A 1 34.859 -40.899 22.423 1.00 0.00 H new ATOM 0 HB2 ASN A 1 36.226 -38.379 23.459 1.00 0.00 H new ATOM 0 HB3 ASN A 1 34.708 -38.309 22.585 1.00 0.00 H new ATOM 0 HD21 ASN A 1 32.836 -39.162 25.497 1.00 0.00 H new ATOM 0 HD22 ASN A 1 32.897 -38.354 23.927 1.00 0.00 H new ATOM 17 N GLU A 2 37.215 -40.370 20.547 1.00 0.00 N ATOM 18 CA GLU A 2 37.654 -40.045 19.160 1.00 0.00 C ATOM 19 C GLU A 2 36.703 -40.700 18.153 1.00 0.00 C ATOM 20 O GLU A 2 35.531 -40.383 18.100 1.00 0.00 O ATOM 21 CB GLU A 2 39.082 -40.558 18.944 1.00 0.00 C ATOM 22 CG GLU A 2 39.988 -40.025 20.053 1.00 0.00 C ATOM 23 CD GLU A 2 41.442 -40.378 19.739 1.00 0.00 C ATOM 24 OE1 GLU A 2 41.655 -41.319 18.992 1.00 0.00 O ATOM 25 OE2 GLU A 2 42.320 -39.701 20.250 1.00 0.00 O ATOM 0 H GLU A 2 37.830 -41.000 21.062 1.00 0.00 H new ATOM 0 HA GLU A 2 37.636 -38.965 19.014 1.00 0.00 H new ATOM 0 HB2 GLU A 2 39.092 -41.648 18.944 1.00 0.00 H new ATOM 0 HB3 GLU A 2 39.452 -40.236 17.971 1.00 0.00 H new ATOM 0 HG2 GLU A 2 39.876 -38.944 20.140 1.00 0.00 H new ATOM 0 HG3 GLU A 2 39.698 -40.454 21.012 1.00 0.00 H new ATOM 32 N LEU A 3 37.195 -41.608 17.350 1.00 0.00 N ATOM 33 CA LEU A 3 36.319 -42.276 16.342 1.00 0.00 C ATOM 34 C LEU A 3 35.483 -41.220 15.614 1.00 0.00 C ATOM 35 O LEU A 3 34.419 -40.839 16.061 1.00 0.00 O ATOM 36 CB LEU A 3 35.374 -43.279 17.030 1.00 0.00 C ATOM 37 CG LEU A 3 36.141 -44.272 17.945 1.00 0.00 C ATOM 38 CD1 LEU A 3 37.489 -44.663 17.326 1.00 0.00 C ATOM 39 CD2 LEU A 3 36.385 -43.663 19.337 1.00 0.00 C ATOM 0 H LEU A 3 38.167 -41.916 17.349 1.00 0.00 H new ATOM 0 HA LEU A 3 36.949 -42.810 15.631 1.00 0.00 H new ATOM 0 HB2 LEU A 3 34.638 -42.735 17.623 1.00 0.00 H new ATOM 0 HB3 LEU A 3 34.824 -43.836 16.272 1.00 0.00 H new ATOM 0 HG LEU A 3 35.521 -45.163 18.046 1.00 0.00 H new ATOM 0 HD11 LEU A 3 38.005 -45.359 17.988 1.00 0.00 H new ATOM 0 HD12 LEU A 3 37.321 -45.138 16.359 1.00 0.00 H new ATOM 0 HD13 LEU A 3 38.100 -43.770 17.191 1.00 0.00 H new ATOM 0 HD21 LEU A 3 36.924 -44.379 19.958 1.00 0.00 H new ATOM 0 HD22 LEU A 3 36.976 -42.752 19.237 1.00 0.00 H new ATOM 0 HD23 LEU A 3 35.429 -43.426 19.803 1.00 0.00 H new ATOM 51 N ASP A 4 35.955 -40.742 14.494 1.00 0.00 N ATOM 52 CA ASP A 4 35.186 -39.712 13.741 1.00 0.00 C ATOM 53 C ASP A 4 33.908 -40.338 13.177 1.00 0.00 C ATOM 54 O ASP A 4 33.955 -41.276 12.407 1.00 0.00 O ATOM 55 CB ASP A 4 36.042 -39.176 12.592 1.00 0.00 C ATOM 56 CG ASP A 4 37.247 -38.423 13.160 1.00 0.00 C ATOM 57 OD1 ASP A 4 38.045 -39.051 13.838 1.00 0.00 O ATOM 58 OD2 ASP A 4 37.352 -37.235 12.908 1.00 0.00 O ATOM 0 H ASP A 4 36.839 -41.021 14.069 1.00 0.00 H new ATOM 0 HA ASP A 4 34.923 -38.894 14.411 1.00 0.00 H new ATOM 0 HB2 ASP A 4 36.378 -39.999 11.961 1.00 0.00 H new ATOM 0 HB3 ASP A 4 35.449 -38.513 11.962 1.00 0.00 H new ATOM 63 N VAL A 5 32.765 -39.823 13.563 1.00 0.00 N ATOM 64 CA VAL A 5 31.463 -40.368 13.069 1.00 0.00 C ATOM 65 C VAL A 5 30.637 -39.209 12.486 1.00 0.00 C ATOM 66 O VAL A 5 30.832 -38.066 12.848 1.00 0.00 O ATOM 67 CB VAL A 5 30.708 -41.002 14.257 1.00 0.00 C ATOM 68 CG1 VAL A 5 31.071 -42.485 14.380 1.00 0.00 C ATOM 69 CG2 VAL A 5 31.093 -40.284 15.556 1.00 0.00 C ATOM 0 H VAL A 5 32.679 -39.038 14.208 1.00 0.00 H new ATOM 0 HA VAL A 5 31.629 -41.123 12.300 1.00 0.00 H new ATOM 0 HB VAL A 5 29.636 -40.904 14.084 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.533 -42.923 15.221 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.795 -43.005 13.462 1.00 0.00 H new ATOM 0 HG13 VAL A 5 32.144 -42.585 14.544 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.558 -40.734 16.393 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.167 -40.378 15.719 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.828 -39.229 15.481 1.00 0.00 H new ATOM 79 N PRO A 6 29.719 -39.496 11.592 1.00 0.00 N ATOM 80 CA PRO A 6 28.860 -38.447 10.965 1.00 0.00 C ATOM 81 C PRO A 6 27.850 -37.864 11.963 1.00 0.00 C ATOM 82 O PRO A 6 26.785 -37.415 11.591 1.00 0.00 O ATOM 83 CB PRO A 6 28.142 -39.191 9.827 1.00 0.00 C ATOM 84 CG PRO A 6 28.126 -40.625 10.253 1.00 0.00 C ATOM 85 CD PRO A 6 29.398 -40.841 11.079 1.00 0.00 C ATOM 0 HA PRO A 6 29.442 -37.594 10.616 1.00 0.00 H new ATOM 0 HB2 PRO A 6 27.131 -38.811 9.683 1.00 0.00 H new ATOM 0 HB3 PRO A 6 28.668 -39.066 8.880 1.00 0.00 H new ATOM 0 HG2 PRO A 6 27.237 -40.846 10.843 1.00 0.00 H new ATOM 0 HG3 PRO A 6 28.107 -41.288 9.388 1.00 0.00 H new ATOM 0 HD2 PRO A 6 29.232 -41.549 11.891 1.00 0.00 H new ATOM 0 HD3 PRO A 6 30.208 -41.240 10.469 1.00 0.00 H new ATOM 93 N GLU A 7 28.182 -37.858 13.227 1.00 0.00 N ATOM 94 CA GLU A 7 27.243 -37.294 14.234 1.00 0.00 C ATOM 95 C GLU A 7 26.990 -35.825 13.896 1.00 0.00 C ATOM 96 O GLU A 7 25.897 -35.319 14.044 1.00 0.00 O ATOM 97 CB GLU A 7 27.858 -37.406 15.632 1.00 0.00 C ATOM 98 CG GLU A 7 29.271 -36.819 15.622 1.00 0.00 C ATOM 99 CD GLU A 7 29.923 -37.038 16.990 1.00 0.00 C ATOM 100 OE1 GLU A 7 29.274 -37.611 17.849 1.00 0.00 O ATOM 101 OE2 GLU A 7 31.061 -36.627 17.153 1.00 0.00 O ATOM 0 H GLU A 7 29.059 -38.218 13.602 1.00 0.00 H new ATOM 0 HA GLU A 7 26.303 -37.846 14.218 1.00 0.00 H new ATOM 0 HB2 GLU A 7 27.239 -36.876 16.356 1.00 0.00 H new ATOM 0 HB3 GLU A 7 27.890 -38.450 15.943 1.00 0.00 H new ATOM 0 HG2 GLU A 7 29.868 -37.293 14.843 1.00 0.00 H new ATOM 0 HG3 GLU A 7 29.233 -35.754 15.391 1.00 0.00 H new ATOM 108 N GLN A 8 27.998 -35.145 13.433 1.00 0.00 N ATOM 109 CA GLN A 8 27.826 -33.715 13.069 1.00 0.00 C ATOM 110 C GLN A 8 26.783 -33.613 11.956 1.00 0.00 C ATOM 111 O GLN A 8 25.782 -32.936 12.085 1.00 0.00 O ATOM 112 CB GLN A 8 29.166 -33.146 12.593 1.00 0.00 C ATOM 113 CG GLN A 8 30.297 -33.719 13.450 1.00 0.00 C ATOM 114 CD GLN A 8 31.572 -32.903 13.227 1.00 0.00 C ATOM 115 OE1 GLN A 8 31.602 -31.717 13.489 1.00 0.00 O ATOM 116 NE2 GLN A 8 32.634 -33.493 12.749 1.00 0.00 N ATOM 0 H GLN A 8 28.936 -35.519 13.291 1.00 0.00 H new ATOM 0 HA GLN A 8 27.490 -33.144 13.934 1.00 0.00 H new ATOM 0 HB2 GLN A 8 29.327 -33.396 11.544 1.00 0.00 H new ATOM 0 HB3 GLN A 8 29.157 -32.058 12.664 1.00 0.00 H new ATOM 0 HG2 GLN A 8 30.017 -33.695 14.503 1.00 0.00 H new ATOM 0 HG3 GLN A 8 30.471 -34.763 13.190 1.00 0.00 H new ATOM 0 HE21 GLN A 8 32.609 -34.489 12.529 1.00 0.00 H new ATOM 0 HE22 GLN A 8 33.489 -32.958 12.596 1.00 0.00 H new ATOM 125 N VAL A 9 27.012 -34.287 10.863 1.00 0.00 N ATOM 126 CA VAL A 9 26.040 -34.244 9.734 1.00 0.00 C ATOM 127 C VAL A 9 24.620 -34.443 10.275 1.00 0.00 C ATOM 128 O VAL A 9 23.653 -34.015 9.677 1.00 0.00 O ATOM 129 CB VAL A 9 26.385 -35.359 8.739 1.00 0.00 C ATOM 130 CG1 VAL A 9 25.247 -35.539 7.730 1.00 0.00 C ATOM 131 CG2 VAL A 9 27.670 -34.991 7.993 1.00 0.00 C ATOM 0 H VAL A 9 27.834 -34.869 10.702 1.00 0.00 H new ATOM 0 HA VAL A 9 26.094 -33.279 9.231 1.00 0.00 H new ATOM 0 HB VAL A 9 26.526 -36.292 9.285 1.00 0.00 H new ATOM 0 HG11 VAL A 9 25.504 -36.333 7.029 1.00 0.00 H new ATOM 0 HG12 VAL A 9 24.331 -35.804 8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 9 25.095 -34.608 7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 9 27.919 -35.781 7.285 1.00 0.00 H new ATOM 0 HG22 VAL A 9 27.523 -34.055 7.455 1.00 0.00 H new ATOM 0 HG23 VAL A 9 28.485 -34.875 8.707 1.00 0.00 H new ATOM 141 N ASP A 10 24.486 -35.084 11.402 1.00 0.00 N ATOM 142 CA ASP A 10 23.124 -35.296 11.970 1.00 0.00 C ATOM 143 C ASP A 10 22.523 -33.937 12.332 1.00 0.00 C ATOM 144 O ASP A 10 21.557 -33.504 11.736 1.00 0.00 O ATOM 145 CB ASP A 10 23.214 -36.171 13.226 1.00 0.00 C ATOM 146 CG ASP A 10 21.830 -36.729 13.564 1.00 0.00 C ATOM 147 OD1 ASP A 10 20.909 -35.938 13.686 1.00 0.00 O ATOM 148 OD2 ASP A 10 21.713 -37.936 13.693 1.00 0.00 O ATOM 0 H ASP A 10 25.254 -35.468 11.952 1.00 0.00 H new ATOM 0 HA ASP A 10 22.493 -35.797 11.235 1.00 0.00 H new ATOM 0 HB2 ASP A 10 23.917 -36.988 13.062 1.00 0.00 H new ATOM 0 HB3 ASP A 10 23.595 -35.586 14.063 1.00 0.00 H new ATOM 153 N LYS A 11 23.084 -33.281 13.324 1.00 0.00 N ATOM 154 CA LYS A 11 22.557 -31.945 13.769 1.00 0.00 C ATOM 155 C LYS A 11 22.027 -31.152 12.564 1.00 0.00 C ATOM 156 O LYS A 11 21.046 -30.444 12.665 1.00 0.00 O ATOM 157 CB LYS A 11 23.676 -31.139 14.459 1.00 0.00 C ATOM 158 CG LYS A 11 23.947 -31.669 15.895 1.00 0.00 C ATOM 159 CD LYS A 11 25.156 -32.630 15.902 1.00 0.00 C ATOM 160 CE LYS A 11 26.462 -31.839 16.069 1.00 0.00 C ATOM 161 NZ LYS A 11 26.397 -31.018 17.312 1.00 0.00 N ATOM 0 H LYS A 11 23.891 -33.616 13.849 1.00 0.00 H new ATOM 0 HA LYS A 11 21.742 -32.112 14.474 1.00 0.00 H new ATOM 0 HB2 LYS A 11 24.590 -31.200 13.868 1.00 0.00 H new ATOM 0 HB3 LYS A 11 23.395 -30.087 14.504 1.00 0.00 H new ATOM 0 HG2 LYS A 11 24.137 -30.832 16.567 1.00 0.00 H new ATOM 0 HG3 LYS A 11 23.063 -32.185 16.270 1.00 0.00 H new ATOM 0 HD2 LYS A 11 25.052 -33.350 16.713 1.00 0.00 H new ATOM 0 HD3 LYS A 11 25.183 -33.199 14.972 1.00 0.00 H new ATOM 0 HE2 LYS A 11 27.309 -32.523 16.117 1.00 0.00 H new ATOM 0 HE3 LYS A 11 26.621 -31.195 15.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 27.344 -30.958 17.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 26.061 -30.062 17.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 25.741 -31.461 17.987 1.00 0.00 H new ATOM 175 N LEU A 12 22.645 -31.287 11.422 1.00 0.00 N ATOM 176 CA LEU A 12 22.144 -30.559 10.225 1.00 0.00 C ATOM 177 C LEU A 12 20.748 -31.084 9.889 1.00 0.00 C ATOM 178 O LEU A 12 19.815 -30.325 9.719 1.00 0.00 O ATOM 179 CB LEU A 12 23.107 -30.772 9.037 1.00 0.00 C ATOM 180 CG LEU A 12 24.188 -29.667 8.988 1.00 0.00 C ATOM 181 CD1 LEU A 12 23.607 -28.372 8.396 1.00 0.00 C ATOM 182 CD2 LEU A 12 24.742 -29.384 10.397 1.00 0.00 C ATOM 0 H LEU A 12 23.470 -31.867 11.268 1.00 0.00 H new ATOM 0 HA LEU A 12 22.092 -29.489 10.429 1.00 0.00 H new ATOM 0 HB2 LEU A 12 23.585 -31.748 9.123 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.543 -30.774 8.104 1.00 0.00 H new ATOM 0 HG LEU A 12 25.000 -30.020 8.352 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.381 -27.605 8.369 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.250 -28.563 7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 12 22.778 -28.029 9.015 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.501 -28.604 10.340 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.932 -29.055 11.047 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.186 -30.293 10.803 1.00 0.00 H new ATOM 194 N ILE A 13 20.589 -32.377 9.808 1.00 0.00 N ATOM 195 CA ILE A 13 19.241 -32.931 9.504 1.00 0.00 C ATOM 196 C ILE A 13 18.246 -32.310 10.482 1.00 0.00 C ATOM 197 O ILE A 13 17.217 -31.793 10.098 1.00 0.00 O ATOM 198 CB ILE A 13 19.257 -34.454 9.667 1.00 0.00 C ATOM 199 CG1 ILE A 13 20.104 -35.073 8.552 1.00 0.00 C ATOM 200 CG2 ILE A 13 17.826 -34.994 9.578 1.00 0.00 C ATOM 201 CD1 ILE A 13 20.328 -36.558 8.841 1.00 0.00 C ATOM 0 H ILE A 13 21.328 -33.068 9.938 1.00 0.00 H new ATOM 0 HA ILE A 13 18.956 -32.699 8.478 1.00 0.00 H new ATOM 0 HB ILE A 13 19.682 -34.712 10.637 1.00 0.00 H new ATOM 0 HG12 ILE A 13 19.604 -34.951 7.591 1.00 0.00 H new ATOM 0 HG13 ILE A 13 21.062 -34.558 8.481 1.00 0.00 H new ATOM 0 HG21 ILE A 13 17.838 -36.078 9.694 1.00 0.00 H new ATOM 0 HG22 ILE A 13 17.220 -34.551 10.369 1.00 0.00 H new ATOM 0 HG23 ILE A 13 17.400 -34.738 8.608 1.00 0.00 H new ATOM 0 HD11 ILE A 13 20.931 -36.996 8.046 1.00 0.00 H new ATOM 0 HD12 ILE A 13 20.847 -36.669 9.793 1.00 0.00 H new ATOM 0 HD13 ILE A 13 19.366 -37.068 8.890 1.00 0.00 H new ATOM 213 N GLN A 14 18.562 -32.343 11.749 1.00 0.00 N ATOM 214 CA GLN A 14 17.658 -31.745 12.764 1.00 0.00 C ATOM 215 C GLN A 14 17.451 -30.262 12.443 1.00 0.00 C ATOM 216 O GLN A 14 16.338 -29.777 12.397 1.00 0.00 O ATOM 217 CB GLN A 14 18.293 -31.892 14.146 1.00 0.00 C ATOM 218 CG GLN A 14 18.171 -33.344 14.613 1.00 0.00 C ATOM 219 CD GLN A 14 16.721 -33.637 15.004 1.00 0.00 C ATOM 220 OE1 GLN A 14 16.191 -33.030 15.912 1.00 0.00 O ATOM 221 NE2 GLN A 14 16.054 -34.549 14.350 1.00 0.00 N ATOM 0 H GLN A 14 19.413 -32.762 12.123 1.00 0.00 H new ATOM 0 HA GLN A 14 16.694 -32.254 12.752 1.00 0.00 H new ATOM 0 HB2 GLN A 14 19.342 -31.598 14.109 1.00 0.00 H new ATOM 0 HB3 GLN A 14 17.801 -31.228 14.856 1.00 0.00 H new ATOM 0 HG2 GLN A 14 18.488 -34.020 13.819 1.00 0.00 H new ATOM 0 HG3 GLN A 14 18.830 -33.520 15.463 1.00 0.00 H new ATOM 0 HE21 GLN A 14 16.500 -35.058 13.587 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.087 -34.752 14.602 1.00 0.00 H new ATOM 230 N GLN A 15 18.516 -29.537 12.210 1.00 0.00 N ATOM 231 CA GLN A 15 18.375 -28.089 11.881 1.00 0.00 C ATOM 232 C GLN A 15 17.559 -27.947 10.596 1.00 0.00 C ATOM 233 O GLN A 15 16.509 -27.337 10.577 1.00 0.00 O ATOM 234 CB GLN A 15 19.761 -27.472 11.672 1.00 0.00 C ATOM 235 CG GLN A 15 20.459 -27.292 13.022 1.00 0.00 C ATOM 236 CD GLN A 15 21.747 -26.490 12.826 1.00 0.00 C ATOM 237 OE1 GLN A 15 22.825 -27.050 12.784 1.00 0.00 O ATOM 238 NE2 GLN A 15 21.681 -25.192 12.700 1.00 0.00 N ATOM 0 H GLN A 15 19.474 -29.886 12.234 1.00 0.00 H new ATOM 0 HA GLN A 15 17.871 -27.575 12.699 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.360 -28.113 11.025 1.00 0.00 H new ATOM 0 HB3 GLN A 15 19.668 -26.509 11.169 1.00 0.00 H new ATOM 0 HG2 GLN A 15 19.799 -26.776 13.719 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.686 -28.264 13.459 1.00 0.00 H new ATOM 0 HE21 GLN A 15 20.777 -24.722 12.735 1.00 0.00 H new ATOM 0 HE22 GLN A 15 22.534 -24.649 12.566 1.00 0.00 H new ATOM 247 N ALA A 16 18.030 -28.510 9.519 1.00 0.00 N ATOM 248 CA ALA A 16 17.272 -28.407 8.244 1.00 0.00 C ATOM 249 C ALA A 16 15.866 -28.972 8.459 1.00 0.00 C ATOM 250 O ALA A 16 14.886 -28.403 8.024 1.00 0.00 O ATOM 251 CB ALA A 16 17.988 -29.205 7.155 1.00 0.00 C ATOM 0 H ALA A 16 18.903 -29.035 9.467 1.00 0.00 H new ATOM 0 HA ALA A 16 17.207 -27.364 7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.431 -29.128 6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.992 -28.806 7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.053 -30.251 7.454 1.00 0.00 H new ATOM 257 N THR A 17 15.760 -30.082 9.138 1.00 0.00 N ATOM 258 CA THR A 17 14.415 -30.669 9.390 1.00 0.00 C ATOM 259 C THR A 17 13.560 -29.641 10.129 1.00 0.00 C ATOM 260 O THR A 17 12.503 -29.259 9.673 1.00 0.00 O ATOM 261 CB THR A 17 14.553 -31.930 10.249 1.00 0.00 C ATOM 262 OG1 THR A 17 15.230 -32.935 9.507 1.00 0.00 O ATOM 263 CG2 THR A 17 13.167 -32.437 10.649 1.00 0.00 C ATOM 0 H THR A 17 16.544 -30.605 9.527 1.00 0.00 H new ATOM 0 HA THR A 17 13.945 -30.933 8.442 1.00 0.00 H new ATOM 0 HB THR A 17 15.122 -31.694 11.148 1.00 0.00 H new ATOM 0 HG1 THR A 17 16.128 -32.619 9.272 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.270 -33.334 11.260 1.00 0.00 H new ATOM 0 HG22 THR A 17 12.649 -31.667 11.220 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.593 -32.672 9.753 1.00 0.00 H new ATOM 271 N SER A 18 14.007 -29.200 11.276 1.00 0.00 N ATOM 272 CA SER A 18 13.219 -28.199 12.057 1.00 0.00 C ATOM 273 C SER A 18 12.685 -27.112 11.111 1.00 0.00 C ATOM 274 O SER A 18 11.520 -27.108 10.767 1.00 0.00 O ATOM 275 CB SER A 18 14.113 -27.572 13.137 1.00 0.00 C ATOM 276 OG SER A 18 15.446 -27.489 12.656 1.00 0.00 O ATOM 0 H SER A 18 14.885 -29.490 11.707 1.00 0.00 H new ATOM 0 HA SER A 18 12.375 -28.693 12.539 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.746 -26.579 13.397 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.079 -28.172 14.046 1.00 0.00 H new ATOM 0 HG SER A 18 15.437 -27.408 11.679 1.00 0.00 H new ATOM 282 N ILE A 19 13.519 -26.181 10.712 1.00 0.00 N ATOM 283 CA ILE A 19 13.080 -25.064 9.814 1.00 0.00 C ATOM 284 C ILE A 19 11.977 -25.513 8.838 1.00 0.00 C ATOM 285 O ILE A 19 10.960 -24.862 8.721 1.00 0.00 O ATOM 286 CB ILE A 19 14.327 -24.581 9.025 1.00 0.00 C ATOM 287 CG1 ILE A 19 15.093 -23.530 9.839 1.00 0.00 C ATOM 288 CG2 ILE A 19 13.928 -23.958 7.677 1.00 0.00 C ATOM 289 CD1 ILE A 19 15.695 -24.158 11.094 1.00 0.00 C ATOM 0 H ILE A 19 14.504 -26.148 10.976 1.00 0.00 H new ATOM 0 HA ILE A 19 12.659 -24.259 10.416 1.00 0.00 H new ATOM 0 HB ILE A 19 14.957 -25.452 8.844 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.884 -23.094 9.228 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.422 -22.718 10.118 1.00 0.00 H new ATOM 0 HG21 ILE A 19 14.823 -23.630 7.149 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.403 -24.699 7.075 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.275 -23.103 7.851 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.234 -23.397 11.659 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.898 -24.572 11.712 1.00 0.00 H new ATOM 0 HD13 ILE A 19 16.383 -24.954 10.808 1.00 0.00 H new ATOM 301 N GLU A 20 12.165 -26.589 8.130 1.00 0.00 N ATOM 302 CA GLU A 20 11.114 -27.022 7.161 1.00 0.00 C ATOM 303 C GLU A 20 9.725 -26.952 7.813 1.00 0.00 C ATOM 304 O GLU A 20 8.841 -26.276 7.327 1.00 0.00 O ATOM 305 CB GLU A 20 11.395 -28.451 6.693 1.00 0.00 C ATOM 306 CG GLU A 20 12.626 -28.452 5.784 1.00 0.00 C ATOM 307 CD GLU A 20 13.093 -29.890 5.551 1.00 0.00 C ATOM 308 OE1 GLU A 20 12.308 -30.794 5.787 1.00 0.00 O ATOM 309 OE2 GLU A 20 14.229 -30.063 5.140 1.00 0.00 O ATOM 0 H GLU A 20 12.991 -27.185 8.176 1.00 0.00 H new ATOM 0 HA GLU A 20 11.133 -26.352 6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.562 -29.101 7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.532 -28.847 6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.387 -27.978 4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.426 -27.869 6.239 1.00 0.00 H new ATOM 316 N ARG A 21 9.514 -27.659 8.890 1.00 0.00 N ATOM 317 CA ARG A 21 8.173 -27.645 9.547 1.00 0.00 C ATOM 318 C ARG A 21 8.049 -26.471 10.529 1.00 0.00 C ATOM 319 O ARG A 21 6.961 -26.111 10.931 1.00 0.00 O ATOM 320 CB ARG A 21 7.971 -28.959 10.311 1.00 0.00 C ATOM 321 CG ARG A 21 8.162 -30.160 9.370 1.00 0.00 C ATOM 322 CD ARG A 21 6.891 -30.397 8.546 1.00 0.00 C ATOM 323 NE ARG A 21 7.034 -31.665 7.776 1.00 0.00 N ATOM 324 CZ ARG A 21 6.865 -32.813 8.372 1.00 0.00 C ATOM 325 NH1 ARG A 21 5.839 -32.994 9.159 1.00 0.00 N ATOM 326 NH2 ARG A 21 7.720 -33.780 8.183 1.00 0.00 N ATOM 0 H ARG A 21 10.213 -28.247 9.345 1.00 0.00 H new ATOM 0 HA ARG A 21 7.413 -27.532 8.774 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.680 -29.020 11.137 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.972 -28.985 10.746 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.006 -29.979 8.705 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.399 -31.052 9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.023 -30.453 9.203 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.723 -29.562 7.866 1.00 0.00 H new ATOM 0 HE ARG A 21 7.264 -31.635 6.783 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.170 -32.238 9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.706 -33.891 9.625 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.522 -33.639 7.569 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.587 -34.677 8.650 1.00 0.00 H new ATOM 340 N LEU A 22 9.140 -25.863 10.920 1.00 0.00 N ATOM 341 CA LEU A 22 9.056 -24.709 11.872 1.00 0.00 C ATOM 342 C LEU A 22 8.846 -23.399 11.097 1.00 0.00 C ATOM 343 O LEU A 22 8.280 -22.456 11.608 1.00 0.00 O ATOM 344 CB LEU A 22 10.362 -24.627 12.692 1.00 0.00 C ATOM 345 CG LEU A 22 10.237 -25.450 13.987 1.00 0.00 C ATOM 346 CD1 LEU A 22 9.911 -26.903 13.635 1.00 0.00 C ATOM 347 CD2 LEU A 22 11.555 -25.379 14.806 1.00 0.00 C ATOM 0 H LEU A 22 10.083 -26.113 10.624 1.00 0.00 H new ATOM 0 HA LEU A 22 8.211 -24.859 12.544 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.196 -24.999 12.097 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.582 -23.587 12.934 1.00 0.00 H new ATOM 0 HG LEU A 22 9.434 -25.036 14.597 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.822 -27.488 14.550 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.970 -26.942 13.086 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.709 -27.315 13.017 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.449 -25.966 15.718 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.376 -25.779 14.210 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.767 -24.342 15.065 1.00 0.00 H new ATOM 359 N CYS A 23 9.333 -23.323 9.888 1.00 0.00 N ATOM 360 CA CYS A 23 9.202 -22.061 9.100 1.00 0.00 C ATOM 361 C CYS A 23 7.983 -22.097 8.171 1.00 0.00 C ATOM 362 O CYS A 23 7.607 -21.087 7.609 1.00 0.00 O ATOM 363 CB CYS A 23 10.468 -21.872 8.274 1.00 0.00 C ATOM 364 SG CYS A 23 11.851 -21.501 9.382 1.00 0.00 S ATOM 0 H CYS A 23 9.818 -24.082 9.410 1.00 0.00 H new ATOM 0 HA CYS A 23 9.064 -21.231 9.792 1.00 0.00 H new ATOM 0 HB2 CYS A 23 10.679 -22.773 7.698 1.00 0.00 H new ATOM 0 HB3 CYS A 23 10.332 -21.061 7.558 1.00 0.00 H new ATOM 369 N GLN A 24 7.357 -23.227 7.989 1.00 0.00 N ATOM 370 CA GLN A 24 6.174 -23.267 7.082 1.00 0.00 C ATOM 371 C GLN A 24 5.020 -22.473 7.709 1.00 0.00 C ATOM 372 O GLN A 24 4.063 -22.128 7.044 1.00 0.00 O ATOM 373 CB GLN A 24 5.744 -24.730 6.869 1.00 0.00 C ATOM 374 CG GLN A 24 6.517 -25.341 5.693 1.00 0.00 C ATOM 375 CD GLN A 24 6.375 -26.864 5.723 1.00 0.00 C ATOM 376 OE1 GLN A 24 6.200 -27.447 6.775 1.00 0.00 O ATOM 377 NE2 GLN A 24 6.444 -27.537 4.608 1.00 0.00 N ATOM 0 H GLN A 24 7.609 -24.115 8.423 1.00 0.00 H new ATOM 0 HA GLN A 24 6.434 -22.823 6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.929 -25.307 7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.673 -24.778 6.674 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.136 -24.948 4.750 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.569 -25.062 5.752 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.591 -27.048 3.725 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.351 -28.553 4.619 1.00 0.00 H new ATOM 386 N HIS A 25 5.101 -22.184 8.984 1.00 0.00 N ATOM 387 CA HIS A 25 4.006 -21.415 9.659 1.00 0.00 C ATOM 388 C HIS A 25 4.432 -19.953 9.831 1.00 0.00 C ATOM 389 O HIS A 25 3.692 -19.145 10.357 1.00 0.00 O ATOM 390 CB HIS A 25 3.736 -22.031 11.036 1.00 0.00 C ATOM 391 CG HIS A 25 3.739 -23.531 10.928 1.00 0.00 C ATOM 392 ND1 HIS A 25 2.648 -24.240 10.449 1.00 0.00 N ATOM 393 CD2 HIS A 25 4.693 -24.470 11.233 1.00 0.00 C ATOM 394 CE1 HIS A 25 2.969 -25.547 10.480 1.00 0.00 C ATOM 395 NE2 HIS A 25 4.204 -25.742 10.949 1.00 0.00 N ATOM 0 H HIS A 25 5.879 -22.447 9.589 1.00 0.00 H new ATOM 0 HA HIS A 25 3.102 -21.457 9.051 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.496 -21.706 11.746 1.00 0.00 H new ATOM 0 HB3 HIS A 25 2.775 -21.686 11.418 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.673 -24.255 11.632 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.308 -26.341 10.164 1.00 0.00 H new ATOM 0 HE2 HIS A 25 4.686 -26.632 11.073 1.00 0.00 H new ATOM 403 N TYR A 26 5.625 -19.611 9.405 1.00 0.00 N ATOM 404 CA TYR A 26 6.123 -18.211 9.552 1.00 0.00 C ATOM 405 C TYR A 26 6.312 -17.573 8.174 1.00 0.00 C ATOM 406 O TYR A 26 6.107 -18.197 7.152 1.00 0.00 O ATOM 407 CB TYR A 26 7.470 -18.257 10.263 1.00 0.00 C ATOM 408 CG TYR A 26 7.269 -18.671 11.701 1.00 0.00 C ATOM 409 CD1 TYR A 26 6.915 -19.991 12.000 1.00 0.00 C ATOM 410 CD2 TYR A 26 7.437 -17.740 12.734 1.00 0.00 C ATOM 411 CE1 TYR A 26 6.728 -20.383 13.332 1.00 0.00 C ATOM 412 CE2 TYR A 26 7.249 -18.131 14.066 1.00 0.00 C ATOM 413 CZ TYR A 26 6.895 -19.452 14.364 1.00 0.00 C ATOM 414 OH TYR A 26 6.712 -19.837 15.676 1.00 0.00 O ATOM 0 H TYR A 26 6.280 -20.252 8.957 1.00 0.00 H new ATOM 0 HA TYR A 26 5.403 -17.623 10.121 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.134 -18.961 9.761 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.950 -17.279 10.219 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.786 -20.709 11.203 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.711 -16.721 12.504 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.455 -21.402 13.562 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.377 -17.413 14.863 1.00 0.00 H new ATOM 0 HH TYR A 26 6.868 -19.071 16.267 1.00 0.00 H new ATOM 424 N ILE A 27 6.712 -16.328 8.145 1.00 0.00 N ATOM 425 CA ILE A 27 6.933 -15.625 6.847 1.00 0.00 C ATOM 426 C ILE A 27 8.411 -15.766 6.460 1.00 0.00 C ATOM 427 O ILE A 27 9.222 -16.184 7.262 1.00 0.00 O ATOM 428 CB ILE A 27 6.572 -14.143 7.017 1.00 0.00 C ATOM 429 CG1 ILE A 27 5.050 -14.001 7.162 1.00 0.00 C ATOM 430 CG2 ILE A 27 7.037 -13.339 5.798 1.00 0.00 C ATOM 431 CD1 ILE A 27 4.566 -14.722 8.427 1.00 0.00 C ATOM 0 H ILE A 27 6.897 -15.763 8.974 1.00 0.00 H new ATOM 0 HA ILE A 27 6.310 -16.058 6.065 1.00 0.00 H new ATOM 0 HB ILE A 27 7.069 -13.760 7.908 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.779 -12.946 7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.554 -14.418 6.285 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.774 -12.290 5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.118 -13.432 5.692 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.550 -13.723 4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.485 -14.613 8.517 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.820 -15.780 8.362 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.049 -14.286 9.302 1.00 0.00 H new ATOM 443 N GLY A 28 8.756 -15.434 5.236 1.00 0.00 N ATOM 444 CA GLY A 28 10.180 -15.550 4.771 1.00 0.00 C ATOM 445 C GLY A 28 11.154 -15.225 5.910 1.00 0.00 C ATOM 446 O GLY A 28 12.144 -15.903 6.105 1.00 0.00 O ATOM 0 H GLY A 28 8.106 -15.084 4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.366 -16.559 4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.351 -14.871 3.936 1.00 0.00 H new ATOM 450 N TRP A 29 10.872 -14.206 6.675 1.00 0.00 N ATOM 451 CA TRP A 29 11.774 -13.856 7.809 1.00 0.00 C ATOM 452 C TRP A 29 11.523 -14.852 8.949 1.00 0.00 C ATOM 453 O TRP A 29 10.960 -14.515 9.972 1.00 0.00 O ATOM 454 CB TRP A 29 11.477 -12.422 8.271 1.00 0.00 C ATOM 455 CG TRP A 29 12.113 -12.159 9.602 1.00 0.00 C ATOM 456 CD1 TRP A 29 13.426 -11.892 9.806 1.00 0.00 C ATOM 457 CD2 TRP A 29 11.481 -12.131 10.913 1.00 0.00 C ATOM 458 NE1 TRP A 29 13.636 -11.704 11.162 1.00 0.00 N ATOM 459 CE2 TRP A 29 12.467 -11.843 11.884 1.00 0.00 C ATOM 460 CE3 TRP A 29 10.159 -12.329 11.351 1.00 0.00 C ATOM 461 CZ2 TRP A 29 12.154 -11.751 13.241 1.00 0.00 C ATOM 462 CZ3 TRP A 29 9.840 -12.239 12.715 1.00 0.00 C ATOM 463 CH2 TRP A 29 10.836 -11.950 13.658 1.00 0.00 C ATOM 0 H TRP A 29 10.058 -13.602 6.564 1.00 0.00 H new ATOM 0 HA TRP A 29 12.818 -13.910 7.502 1.00 0.00 H new ATOM 0 HB2 TRP A 29 11.852 -11.711 7.535 1.00 0.00 H new ATOM 0 HB3 TRP A 29 10.400 -12.271 8.340 1.00 0.00 H new ATOM 0 HD1 TRP A 29 14.183 -11.835 9.038 1.00 0.00 H new ATOM 0 HE1 TRP A 29 14.543 -11.489 11.577 1.00 0.00 H new ATOM 0 HE3 TRP A 29 9.384 -12.552 10.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 12.925 -11.528 13.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.822 -12.393 13.040 1.00 0.00 H new ATOM 0 HH2 TRP A 29 10.584 -11.881 14.706 1.00 0.00 H new ATOM 474 N CYS A 30 11.904 -16.084 8.755 1.00 0.00 N ATOM 475 CA CYS A 30 11.657 -17.121 9.797 1.00 0.00 C ATOM 476 C CYS A 30 12.695 -16.987 10.933 1.00 0.00 C ATOM 477 O CYS A 30 13.883 -16.978 10.677 1.00 0.00 O ATOM 478 CB CYS A 30 11.801 -18.497 9.143 1.00 0.00 C ATOM 479 SG CYS A 30 11.308 -19.788 10.307 1.00 0.00 S ATOM 0 H CYS A 30 12.378 -16.419 7.916 1.00 0.00 H new ATOM 0 HA CYS A 30 10.659 -16.996 10.216 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.184 -18.549 8.246 1.00 0.00 H new ATOM 0 HB3 CYS A 30 12.833 -18.654 8.829 1.00 0.00 H new ATOM 484 N PRO A 31 12.268 -16.876 12.184 1.00 0.00 N ATOM 485 CA PRO A 31 13.214 -16.737 13.335 1.00 0.00 C ATOM 486 C PRO A 31 13.907 -18.064 13.686 1.00 0.00 C ATOM 487 O PRO A 31 14.272 -18.298 14.821 1.00 0.00 O ATOM 488 CB PRO A 31 12.322 -16.269 14.495 1.00 0.00 C ATOM 489 CG PRO A 31 10.952 -16.779 14.168 1.00 0.00 C ATOM 490 CD PRO A 31 10.861 -16.865 12.638 1.00 0.00 C ATOM 0 HA PRO A 31 14.024 -16.044 13.107 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.673 -16.667 15.447 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.327 -15.182 14.582 1.00 0.00 H new ATOM 0 HG2 PRO A 31 10.786 -17.757 14.620 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.187 -16.111 14.563 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.335 -17.766 12.322 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.317 -16.016 12.224 1.00 0.00 H new ATOM 498 N PHE A 32 14.100 -18.922 12.715 1.00 0.00 N ATOM 499 CA PHE A 32 14.785 -20.234 12.966 1.00 0.00 C ATOM 500 C PHE A 32 16.041 -20.298 12.093 1.00 0.00 C ATOM 501 O PHE A 32 16.964 -21.040 12.361 1.00 0.00 O ATOM 502 CB PHE A 32 13.839 -21.390 12.604 1.00 0.00 C ATOM 503 CG PHE A 32 12.896 -21.673 13.755 1.00 0.00 C ATOM 504 CD1 PHE A 32 13.354 -22.383 14.871 1.00 0.00 C ATOM 505 CD2 PHE A 32 11.567 -21.235 13.702 1.00 0.00 C ATOM 506 CE1 PHE A 32 12.485 -22.654 15.935 1.00 0.00 C ATOM 507 CE2 PHE A 32 10.698 -21.505 14.765 1.00 0.00 C ATOM 508 CZ PHE A 32 11.156 -22.215 15.882 1.00 0.00 C ATOM 0 H PHE A 32 13.810 -18.770 11.749 1.00 0.00 H new ATOM 0 HA PHE A 32 15.057 -20.321 14.018 1.00 0.00 H new ATOM 0 HB2 PHE A 32 13.268 -21.137 11.711 1.00 0.00 H new ATOM 0 HB3 PHE A 32 14.418 -22.284 12.370 1.00 0.00 H new ATOM 0 HD1 PHE A 32 14.379 -22.722 14.911 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.213 -20.689 12.840 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.839 -23.201 16.796 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.674 -21.166 14.724 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.485 -22.424 16.702 1.00 0.00 H new ATOM 518 N TRP A 33 16.079 -19.509 11.055 1.00 0.00 N ATOM 519 CA TRP A 33 17.267 -19.495 10.157 1.00 0.00 C ATOM 520 C TRP A 33 18.482 -18.985 10.936 1.00 0.00 C ATOM 521 O TRP A 33 19.508 -19.643 10.894 1.00 0.00 O ATOM 522 CB TRP A 33 16.984 -18.554 8.982 1.00 0.00 C ATOM 523 CG TRP A 33 16.043 -19.194 8.002 1.00 0.00 C ATOM 524 CD1 TRP A 33 15.308 -20.305 8.233 1.00 0.00 C ATOM 525 CD2 TRP A 33 15.716 -18.769 6.646 1.00 0.00 C ATOM 526 NE1 TRP A 33 14.569 -20.601 7.105 1.00 0.00 N ATOM 527 CE2 TRP A 33 14.782 -19.682 6.098 1.00 0.00 C ATOM 528 CE3 TRP A 33 16.141 -17.694 5.844 1.00 0.00 C ATOM 529 CZ2 TRP A 33 14.288 -19.533 4.802 1.00 0.00 C ATOM 530 CZ3 TRP A 33 15.644 -17.540 4.540 1.00 0.00 C ATOM 531 CH2 TRP A 33 14.718 -18.457 4.020 1.00 0.00 C ATOM 532 OXT TRP A 33 18.364 -17.944 11.563 1.00 0.00 O ATOM 0 H TRP A 33 15.331 -18.868 10.789 1.00 0.00 H new ATOM 0 HA TRP A 33 17.469 -20.500 9.788 1.00 0.00 H new ATOM 0 HB2 TRP A 33 16.554 -17.623 9.351 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.918 -18.298 8.482 1.00 0.00 H new ATOM 0 HD1 TRP A 33 15.300 -20.871 9.153 1.00 0.00 H new ATOM 0 HE1 TRP A 33 13.942 -21.402 7.026 1.00 0.00 H new ATOM 0 HE3 TRP A 33 16.854 -16.983 6.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 13.578 -20.244 4.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 15.976 -16.711 3.933 1.00 0.00 H new ATOM 0 HH2 TRP A 33 14.338 -18.332 3.017 1.00 0.00 H new TER 543 TRP A 33