USER MOD reduce.3.24.130724 H: found=0, std=0, add=165, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 165 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 23 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 7 -0.554 -17.023 -11.714 1.00 0.00 N ATOM 2 CA ALA A 7 0.624 -17.351 -12.491 1.00 0.00 C ATOM 3 C ALA A 7 1.844 -17.356 -11.585 1.00 0.00 C ATOM 4 O ALA A 7 1.741 -17.107 -10.386 1.00 0.00 O ATOM 5 CB ALA A 7 0.790 -16.336 -13.618 1.00 0.00 C ATOM 0 HA ALA A 7 0.514 -18.342 -12.931 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.676 -16.583 -14.202 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.088 -16.361 -14.263 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.901 -15.338 -13.195 1.00 0.00 H new ATOM 10 N ILE A 8 2.999 -17.645 -12.178 1.00 0.00 N ATOM 11 CA ILE A 8 4.261 -17.690 -11.446 1.00 0.00 C ATOM 12 C ILE A 8 4.468 -16.407 -10.661 1.00 0.00 C ATOM 13 O ILE A 8 4.915 -16.432 -9.517 1.00 0.00 O ATOM 14 CB ILE A 8 5.460 -17.860 -12.398 1.00 0.00 C ATOM 15 CG1 ILE A 8 5.428 -19.243 -13.053 1.00 0.00 C ATOM 16 CG2 ILE A 8 6.769 -17.717 -11.636 1.00 0.00 C ATOM 17 CD1 ILE A 8 6.422 -19.406 -14.181 1.00 0.00 C ATOM 0 H ILE A 8 3.087 -17.853 -13.173 1.00 0.00 H new ATOM 0 HA ILE A 8 4.205 -18.545 -10.773 1.00 0.00 H new ATOM 0 HB ILE A 8 5.392 -17.086 -13.163 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.627 -19.999 -12.294 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.425 -19.431 -13.435 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.606 -17.840 -12.324 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.818 -16.729 -11.178 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.823 -18.480 -10.859 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.340 -20.411 -14.595 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.211 -18.674 -14.960 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.432 -19.251 -13.801 1.00 0.00 H new ATOM 29 N VAL A 9 4.136 -15.287 -11.295 1.00 0.00 N ATOM 30 CA VAL A 9 4.276 -13.972 -10.679 1.00 0.00 C ATOM 31 C VAL A 9 3.358 -13.849 -9.477 1.00 0.00 C ATOM 32 O VAL A 9 3.768 -13.383 -8.417 1.00 0.00 O ATOM 33 CB VAL A 9 3.918 -12.845 -11.666 1.00 0.00 C ATOM 34 CG1 VAL A 9 3.870 -11.505 -10.949 1.00 0.00 C ATOM 35 CG2 VAL A 9 4.954 -12.761 -12.776 1.00 0.00 C ATOM 0 H VAL A 9 3.764 -15.265 -12.245 1.00 0.00 H new ATOM 0 HA VAL A 9 5.318 -13.873 -10.376 1.00 0.00 H new ATOM 0 HB VAL A 9 2.940 -13.072 -12.090 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.616 -10.720 -11.661 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.116 -11.540 -10.163 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.844 -11.293 -10.508 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.686 -11.960 -13.464 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.934 -12.556 -12.345 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.986 -13.707 -13.316 1.00 0.00 H new ATOM 45 N ALA A 10 2.115 -14.274 -9.659 1.00 0.00 N ATOM 46 CA ALA A 10 1.112 -14.223 -8.603 1.00 0.00 C ATOM 47 C ALA A 10 1.590 -14.977 -7.378 1.00 0.00 C ATOM 48 O ALA A 10 1.497 -14.481 -6.258 1.00 0.00 O ATOM 49 CB ALA A 10 -0.190 -14.851 -9.077 1.00 0.00 C ATOM 0 H ALA A 10 1.774 -14.662 -10.539 1.00 0.00 H new ATOM 0 HA ALA A 10 0.948 -13.175 -8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.929 -14.805 -8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.561 -14.307 -9.945 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.014 -15.892 -9.349 1.00 0.00 H new ATOM 55 N LEU A 11 2.095 -16.166 -7.604 1.00 0.00 N ATOM 56 CA LEU A 11 2.598 -17.014 -6.533 1.00 0.00 C ATOM 57 C LEU A 11 3.723 -16.327 -5.796 1.00 0.00 C ATOM 58 O LEU A 11 3.722 -16.261 -4.569 1.00 0.00 O ATOM 59 CB LEU A 11 3.126 -18.334 -7.098 1.00 0.00 C ATOM 60 CG LEU A 11 2.076 -19.320 -7.614 1.00 0.00 C ATOM 61 CD1 LEU A 11 2.741 -20.525 -8.260 1.00 0.00 C ATOM 62 CD2 LEU A 11 1.198 -19.815 -6.474 1.00 0.00 C ATOM 0 H LEU A 11 2.172 -16.579 -8.533 1.00 0.00 H new ATOM 0 HA LEU A 11 1.772 -17.208 -5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.812 -18.107 -7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.708 -18.830 -6.321 1.00 0.00 H new ATOM 0 HG LEU A 11 1.468 -18.793 -8.350 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.976 -21.213 -8.620 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.356 -20.196 -9.098 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.368 -21.031 -7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.458 -20.515 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.817 -20.317 -5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.690 -18.969 -6.012 1.00 0.00 H new ATOM 74 N VAL A 12 4.669 -15.824 -6.536 1.00 0.00 N ATOM 75 CA VAL A 12 5.816 -15.134 -5.977 1.00 0.00 C ATOM 76 C VAL A 12 5.373 -13.988 -5.096 1.00 0.00 C ATOM 77 O VAL A 12 5.852 -13.829 -3.976 1.00 0.00 O ATOM 78 CB VAL A 12 6.721 -14.556 -7.081 1.00 0.00 C ATOM 79 CG1 VAL A 12 7.796 -13.667 -6.478 1.00 0.00 C ATOM 80 CG2 VAL A 12 7.400 -15.677 -7.853 1.00 0.00 C ATOM 0 H VAL A 12 4.674 -15.877 -7.555 1.00 0.00 H new ATOM 0 HA VAL A 12 6.371 -15.870 -5.396 1.00 0.00 H new ATOM 0 HB VAL A 12 6.093 -13.971 -7.753 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.426 -13.268 -7.273 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.327 -12.844 -5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.407 -14.251 -5.790 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.036 -15.251 -8.629 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.008 -16.272 -7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.643 -16.313 -8.312 1.00 0.00 H new ATOM 90 N VAL A 13 4.452 -13.196 -5.620 1.00 0.00 N ATOM 91 CA VAL A 13 3.923 -12.051 -4.901 1.00 0.00 C ATOM 92 C VAL A 13 3.301 -12.484 -3.587 1.00 0.00 C ATOM 93 O VAL A 13 3.669 -11.993 -2.522 1.00 0.00 O ATOM 94 CB VAL A 13 2.839 -11.323 -5.718 1.00 0.00 C ATOM 95 CG1 VAL A 13 2.179 -10.239 -4.880 1.00 0.00 C ATOM 96 CG2 VAL A 13 3.448 -10.674 -6.951 1.00 0.00 C ATOM 0 H VAL A 13 4.053 -13.328 -6.549 1.00 0.00 H new ATOM 0 HA VAL A 13 4.762 -11.378 -4.723 1.00 0.00 H new ATOM 0 HB VAL A 13 2.096 -12.062 -6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.416 -9.735 -5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.717 -10.689 -4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.930 -9.515 -4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.668 -10.164 -7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.206 -9.952 -6.646 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.908 -11.440 -7.576 1.00 0.00 H new ATOM 106 N ALA A 14 2.362 -13.403 -3.682 1.00 0.00 N ATOM 107 CA ALA A 14 1.669 -13.924 -2.512 1.00 0.00 C ATOM 108 C ALA A 14 2.601 -14.758 -1.665 1.00 0.00 C ATOM 109 O ALA A 14 2.709 -14.558 -0.457 1.00 0.00 O ATOM 110 CB ALA A 14 0.497 -14.796 -2.935 1.00 0.00 C ATOM 0 H ALA A 14 2.056 -13.811 -4.565 1.00 0.00 H new ATOM 0 HA ALA A 14 1.311 -13.072 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.011 -15.178 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.201 -14.205 -3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.862 -15.631 -3.532 1.00 0.00 H new ATOM 116 N ILE A 15 3.269 -15.692 -2.317 1.00 0.00 N ATOM 117 CA ILE A 15 4.201 -16.575 -1.646 1.00 0.00 C ATOM 118 C ILE A 15 5.224 -15.781 -0.873 1.00 0.00 C ATOM 119 O ILE A 15 5.537 -16.095 0.273 1.00 0.00 O ATOM 120 CB ILE A 15 4.956 -17.466 -2.649 1.00 0.00 C ATOM 121 CG1 ILE A 15 3.998 -18.462 -3.305 1.00 0.00 C ATOM 122 CG2 ILE A 15 6.056 -18.247 -1.946 1.00 0.00 C ATOM 123 CD1 ILE A 15 4.599 -19.208 -4.476 1.00 0.00 C ATOM 0 H ILE A 15 3.181 -15.858 -3.320 1.00 0.00 H new ATOM 0 HA ILE A 15 3.613 -17.198 -0.972 1.00 0.00 H new ATOM 0 HB ILE A 15 5.392 -16.817 -3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.670 -19.183 -2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.110 -17.928 -3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.579 -18.871 -2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.761 -17.552 -1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.617 -18.878 -1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.860 -19.895 -4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.901 -18.496 -5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.470 -19.771 -4.140 1.00 0.00 H new ATOM 135 N ILE A 16 5.739 -14.750 -1.517 1.00 0.00 N ATOM 136 CA ILE A 16 6.735 -13.890 -0.912 1.00 0.00 C ATOM 137 C ILE A 16 6.113 -13.034 0.171 1.00 0.00 C ATOM 138 O ILE A 16 6.735 -12.758 1.194 1.00 0.00 O ATOM 139 CB ILE A 16 7.373 -12.948 -1.950 1.00 0.00 C ATOM 140 CG1 ILE A 16 8.197 -13.748 -2.961 1.00 0.00 C ATOM 141 CG2 ILE A 16 8.289 -11.945 -1.267 1.00 0.00 C ATOM 142 CD1 ILE A 16 8.656 -12.937 -4.153 1.00 0.00 C ATOM 0 H ILE A 16 5.480 -14.488 -2.468 1.00 0.00 H new ATOM 0 HA ILE A 16 7.500 -14.542 -0.491 1.00 0.00 H new ATOM 0 HB ILE A 16 6.568 -12.422 -2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.070 -14.162 -2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.603 -14.591 -3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.731 -11.288 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.713 -11.351 -0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.080 -12.476 -0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.234 -13.572 -4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.788 -12.545 -4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.278 -12.109 -3.812 1.00 0.00 H new ATOM 154 N ILE A 17 4.885 -12.624 -0.072 1.00 0.00 N ATOM 155 CA ILE A 17 4.152 -11.796 0.868 1.00 0.00 C ATOM 156 C ILE A 17 3.831 -12.567 2.132 1.00 0.00 C ATOM 157 O ILE A 17 4.029 -12.074 3.240 1.00 0.00 O ATOM 158 CB ILE A 17 2.821 -11.305 0.269 1.00 0.00 C ATOM 159 CG1 ILE A 17 3.081 -10.341 -0.890 1.00 0.00 C ATOM 160 CG2 ILE A 17 1.998 -10.580 1.323 1.00 0.00 C ATOM 161 CD1 ILE A 17 1.844 -10.002 -1.692 1.00 0.00 C ATOM 0 H ILE A 17 4.368 -12.853 -0.921 1.00 0.00 H new ATOM 0 HA ILE A 17 4.792 -10.943 1.095 1.00 0.00 H new ATOM 0 HB ILE A 17 2.275 -12.177 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.510 -9.420 -0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.825 -10.780 -1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.061 -10.240 0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.785 -11.259 2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.557 -9.721 1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.108 -9.314 -2.495 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.425 -10.914 -2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.106 -9.533 -1.041 1.00 0.00 H new ATOM 173 N ALA A 18 3.342 -13.765 1.949 1.00 0.00 N ATOM 174 CA ALA A 18 2.983 -14.629 3.061 1.00 0.00 C ATOM 175 C ALA A 18 4.206 -15.040 3.836 1.00 0.00 C ATOM 176 O ALA A 18 4.293 -14.825 5.042 1.00 0.00 O ATOM 177 CB ALA A 18 2.294 -15.887 2.554 1.00 0.00 C ATOM 0 H ALA A 18 3.179 -14.176 1.030 1.00 0.00 H new ATOM 0 HA ALA A 18 2.309 -14.068 3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.031 -16.524 3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.389 -15.613 2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.967 -16.427 1.888 1.00 0.00 H new ATOM 183 N ILE A 19 5.144 -15.631 3.132 1.00 0.00 N ATOM 184 CA ILE A 19 6.378 -16.085 3.731 1.00 0.00 C ATOM 185 C ILE A 19 7.027 -14.979 4.517 1.00 0.00 C ATOM 186 O ILE A 19 7.431 -15.164 5.663 1.00 0.00 O ATOM 187 CB ILE A 19 7.384 -16.556 2.664 1.00 0.00 C ATOM 188 CG1 ILE A 19 6.875 -17.824 1.975 1.00 0.00 C ATOM 189 CG2 ILE A 19 8.731 -16.861 3.300 1.00 0.00 C ATOM 190 CD1 ILE A 19 7.674 -18.216 0.751 1.00 0.00 C ATOM 0 H ILE A 19 5.073 -15.810 2.130 1.00 0.00 H new ATOM 0 HA ILE A 19 6.120 -16.918 4.386 1.00 0.00 H new ATOM 0 HB ILE A 19 7.495 -15.755 1.933 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.894 -18.647 2.689 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.834 -17.677 1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.429 -17.192 2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.119 -15.962 3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.612 -17.647 4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.254 -19.123 0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.634 -17.411 0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.711 -18.396 1.036 1.00 0.00 H new ATOM 202 N VAL A 20 7.122 -13.828 3.884 1.00 0.00 N ATOM 203 CA VAL A 20 7.719 -12.669 4.501 1.00 0.00 C ATOM 204 C VAL A 20 6.932 -12.242 5.718 1.00 0.00 C ATOM 205 O VAL A 20 7.496 -11.975 6.776 1.00 0.00 O ATOM 206 CB VAL A 20 7.766 -11.474 3.531 1.00 0.00 C ATOM 207 CG1 VAL A 20 8.205 -10.213 4.259 1.00 0.00 C ATOM 208 CG2 VAL A 20 8.749 -11.744 2.401 1.00 0.00 C ATOM 0 H VAL A 20 6.789 -13.673 2.933 1.00 0.00 H new ATOM 0 HA VAL A 20 8.732 -12.955 4.784 1.00 0.00 H new ATOM 0 HB VAL A 20 6.764 -11.336 3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.232 -9.379 3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.500 -9.991 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.198 -10.364 4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.770 -10.889 1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.745 -11.903 2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.438 -12.633 1.853 1.00 0.00 H new ATOM 218 N VAL A 21 5.634 -12.183 5.549 1.00 0.00 N ATOM 219 CA VAL A 21 4.741 -11.791 6.620 1.00 0.00 C ATOM 220 C VAL A 21 4.750 -12.805 7.734 1.00 0.00 C ATOM 221 O VAL A 21 5.024 -12.481 8.887 1.00 0.00 O ATOM 222 CB VAL A 21 3.289 -11.659 6.124 1.00 0.00 C ATOM 223 CG1 VAL A 21 2.350 -11.392 7.291 1.00 0.00 C ATOM 224 CG2 VAL A 21 3.166 -10.509 5.136 1.00 0.00 C ATOM 0 H VAL A 21 5.165 -12.404 4.671 1.00 0.00 H new ATOM 0 HA VAL A 21 5.101 -10.828 6.981 1.00 0.00 H new ATOM 0 HB VAL A 21 3.018 -12.596 5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.328 -11.301 6.922 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.408 -12.217 8.001 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.640 -10.466 7.787 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.133 -10.430 4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.460 -9.579 5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.817 -10.693 4.281 1.00 0.00 H new ATOM 234 N TRP A 22 4.449 -14.022 7.369 1.00 0.00 N ATOM 235 CA TRP A 22 4.414 -15.108 8.319 1.00 0.00 C ATOM 236 C TRP A 22 5.690 -15.177 9.102 1.00 0.00 C ATOM 237 O TRP A 22 5.699 -15.540 10.276 1.00 0.00 O ATOM 238 CB TRP A 22 4.223 -16.444 7.599 1.00 0.00 C ATOM 239 CG TRP A 22 4.153 -17.620 8.524 1.00 0.00 C ATOM 240 CD1 TRP A 22 3.047 -18.086 9.174 1.00 0.00 C ATOM 241 CD2 TRP A 22 5.235 -18.480 8.903 1.00 0.00 C ATOM 242 NE1 TRP A 22 3.372 -19.183 9.935 1.00 0.00 N ATOM 243 CE2 TRP A 22 4.711 -19.445 9.786 1.00 0.00 C ATOM 244 CE3 TRP A 22 6.595 -18.528 8.584 1.00 0.00 C ATOM 245 CZ2 TRP A 22 5.499 -20.446 10.352 1.00 0.00 C ATOM 246 CZ3 TRP A 22 7.373 -19.522 9.147 1.00 0.00 C ATOM 247 CH2 TRP A 22 6.826 -20.468 10.020 1.00 0.00 C ATOM 0 H TRP A 22 4.222 -14.291 6.412 1.00 0.00 H new ATOM 0 HA TRP A 22 3.578 -14.922 8.994 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.307 -16.401 7.009 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.046 -16.591 6.900 1.00 0.00 H new ATOM 0 HD1 TRP A 22 2.059 -17.655 9.101 1.00 0.00 H new ATOM 0 HE1 TRP A 22 2.724 -19.715 10.516 1.00 0.00 H new ATOM 0 HE3 TRP A 22 7.029 -17.803 7.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 5.078 -21.176 11.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 8.425 -19.569 8.908 1.00 0.00 H new ATOM 0 HH2 TRP A 22 7.464 -21.231 10.440 1.00 0.00 H new ATOM 258 N SER A 23 6.760 -14.825 8.435 1.00 0.00 N ATOM 259 CA SER A 23 8.061 -14.838 9.045 1.00 0.00 C ATOM 260 C SER A 23 8.177 -13.757 10.085 1.00 0.00 C ATOM 261 O SER A 23 8.707 -13.974 11.172 1.00 0.00 O ATOM 262 CB SER A 23 9.148 -14.608 7.993 1.00 0.00 C ATOM 263 OG SER A 23 10.437 -14.607 8.583 1.00 0.00 O ATOM 0 H SER A 23 6.752 -14.524 7.461 1.00 0.00 H new ATOM 0 HA SER A 23 8.192 -15.814 9.513 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.093 -15.387 7.233 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.975 -13.657 7.488 1.00 0.00 H new ATOM 0 HG SER A 23 11.114 -14.460 7.890 1.00 0.00 H new ATOM 269 N ILE A 24 7.675 -12.604 9.736 1.00 0.00 N ATOM 270 CA ILE A 24 7.708 -11.468 10.623 1.00 0.00 C ATOM 271 C ILE A 24 7.084 -11.795 11.961 1.00 0.00 C ATOM 272 O ILE A 24 7.640 -11.483 13.012 1.00 0.00 O ATOM 273 CB ILE A 24 6.938 -10.271 10.035 1.00 0.00 C ATOM 274 CG1 ILE A 24 7.656 -9.732 8.796 1.00 0.00 C ATOM 275 CG2 ILE A 24 6.836 -9.150 11.058 1.00 0.00 C ATOM 276 CD1 ILE A 24 6.848 -8.719 8.014 1.00 0.00 C ATOM 0 H ILE A 24 7.233 -12.423 8.834 1.00 0.00 H new ATOM 0 HA ILE A 24 8.760 -11.213 10.749 1.00 0.00 H new ATOM 0 HB ILE A 24 5.940 -10.616 9.764 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.596 -9.274 9.103 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.907 -10.566 8.141 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.289 -8.312 10.626 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.309 -9.511 11.942 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.837 -8.823 11.341 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.423 -8.383 7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.919 -9.178 7.675 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.619 -7.865 8.652 1.00 0.00 H new ATOM 288 N VAL A 25 5.949 -12.414 11.904 1.00 0.00 N ATOM 289 CA VAL A 25 5.226 -12.796 13.101 1.00 0.00 C ATOM 290 C VAL A 25 3.935 -13.505 12.719 1.00 0.00 C ATOM 291 O VAL A 25 3.644 -13.674 11.537 1.00 0.00 O ATOM 292 CB VAL A 25 4.934 -11.553 13.937 1.00 0.00 C ATOM 293 CG1 VAL A 25 4.190 -11.956 15.207 1.00 0.00 C ATOM 294 CG2 VAL A 25 6.248 -10.872 14.312 1.00 0.00 C ATOM 0 H VAL A 25 5.487 -12.675 11.033 1.00 0.00 H new ATOM 0 HA VAL A 25 5.832 -13.481 13.693 1.00 0.00 H new ATOM 0 HB VAL A 25 4.319 -10.863 13.359 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.982 -11.068 15.804 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.252 -12.442 14.940 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.805 -12.646 15.785 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.040 -9.984 14.909 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.863 -11.562 14.890 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.780 -10.583 13.405 1.00 0.00 H new TER 304 VAL A 25