USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 318 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 LEU N :NH3+ 148:sc= 0.0814 (180deg=-0.0882) USER MOD Single : A 5 CYS SG : rot 32:sc= 0.23 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.355 K(o=0.35,f=-3.9!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 179:sc=-0.00222 (180deg=-0.00426) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 8.827 20.902 -28.968 1.00 16.17 N ATOM 2 CA LEU A 1 9.164 21.450 -27.640 1.00 15.27 C ATOM 3 C LEU A 1 10.514 20.884 -27.207 1.00 14.55 C ATOM 4 O LEU A 1 11.084 20.111 -27.973 1.00 15.00 O ATOM 5 CB LEU A 1 8.033 21.222 -26.620 1.00 14.98 C ATOM 6 CG LEU A 1 7.552 19.767 -26.436 1.00 14.75 C ATOM 7 CD1 LEU A 1 8.582 18.869 -25.738 1.00 14.40 C ATOM 8 CD2 LEU A 1 6.276 19.780 -25.586 1.00 14.80 C ATOM 0 H1 LEU A 1 7.795 20.802 -29.050 1.00 16.17 H new ATOM 0 H2 LEU A 1 9.172 21.547 -29.707 1.00 16.17 H new ATOM 0 H3 LEU A 1 9.276 19.971 -29.083 1.00 16.17 H new ATOM 0 HA LEU A 1 9.260 22.534 -27.696 1.00 15.27 H new ATOM 0 HB2 LEU A 1 8.367 21.596 -25.652 1.00 14.98 H new ATOM 0 HB3 LEU A 1 7.178 21.829 -26.918 1.00 14.98 H new ATOM 0 HG LEU A 1 7.383 19.358 -27.432 1.00 14.75 H new ATOM 0 HD11 LEU A 1 8.179 17.861 -25.641 1.00 14.40 H new ATOM 0 HD12 LEU A 1 9.498 18.839 -26.328 1.00 14.40 H new ATOM 0 HD13 LEU A 1 8.802 19.269 -24.748 1.00 14.40 H new ATOM 0 HD21 LEU A 1 5.922 18.759 -25.446 1.00 14.80 H new ATOM 0 HD22 LEU A 1 6.490 20.226 -24.615 1.00 14.80 H new ATOM 0 HD23 LEU A 1 5.508 20.364 -26.092 1.00 14.80 H new ATOM 22 N ARG A 2 11.027 21.257 -26.030 1.00 13.76 N ATOM 23 CA ARG A 2 12.316 20.775 -25.539 1.00 13.27 C ATOM 24 C ARG A 2 12.385 20.903 -24.012 1.00 11.98 C ATOM 25 O ARG A 2 13.225 21.629 -23.477 1.00 12.02 O ATOM 26 CB ARG A 2 13.465 21.508 -26.257 1.00 14.53 C ATOM 27 CG ARG A 2 13.475 23.028 -26.016 1.00 15.33 C ATOM 28 CD ARG A 2 14.824 23.480 -25.437 1.00 15.84 C ATOM 29 NE ARG A 2 14.746 24.833 -24.864 1.00 16.45 N ATOM 30 CZ ARG A 2 14.354 25.122 -23.610 1.00 16.59 C ATOM 31 NH1 ARG A 2 13.910 24.157 -22.798 1.00 16.16 N ATOM 32 NH2 ARG A 2 14.401 26.385 -23.172 1.00 17.45 N ATOM 0 H ARG A 2 10.558 21.901 -25.393 1.00 13.76 H new ATOM 0 HA ARG A 2 12.425 19.715 -25.769 1.00 13.27 H new ATOM 0 HB2 ARG A 2 14.415 21.090 -25.924 1.00 14.53 H new ATOM 0 HB3 ARG A 2 13.392 21.319 -27.328 1.00 14.53 H new ATOM 0 HG2 ARG A 2 13.283 23.551 -26.953 1.00 15.33 H new ATOM 0 HG3 ARG A 2 12.671 23.297 -25.331 1.00 15.33 H new ATOM 0 HD2 ARG A 2 15.143 22.777 -24.668 1.00 15.84 H new ATOM 0 HD3 ARG A 2 15.581 23.460 -26.221 1.00 15.84 H new ATOM 0 HE ARG A 2 15.010 25.614 -25.465 1.00 16.45 H new ATOM 0 HH11 ARG A 2 13.867 23.193 -23.128 1.00 16.16 H new ATOM 0 HH12 ARG A 2 13.615 24.385 -21.849 1.00 16.16 H new ATOM 0 HH21 ARG A 2 14.734 27.127 -23.788 1.00 17.45 H new ATOM 0 HH22 ARG A 2 14.104 26.607 -22.222 1.00 17.45 H new ATOM 46 N ILE A 3 11.475 20.222 -23.312 1.00 11.22 N ATOM 47 CA ILE A 3 11.369 20.242 -21.856 1.00 10.16 C ATOM 48 C ILE A 3 11.634 18.818 -21.340 1.00 8.65 C ATOM 49 O ILE A 3 10.700 18.024 -21.229 1.00 8.16 O ATOM 50 CB ILE A 3 9.980 20.774 -21.442 1.00 10.62 C ATOM 51 CG1 ILE A 3 9.635 22.139 -22.074 1.00 11.94 C ATOM 52 CG2 ILE A 3 9.863 20.858 -19.912 1.00 10.70 C ATOM 53 CD1 ILE A 3 10.573 23.283 -21.673 1.00 12.63 C ATOM 0 H ILE A 3 10.775 19.627 -23.756 1.00 11.22 H new ATOM 0 HA ILE A 3 12.106 20.912 -21.413 1.00 10.16 H new ATOM 0 HB ILE A 3 9.255 20.056 -21.826 1.00 10.62 H new ATOM 0 HG12 ILE A 3 9.651 22.037 -23.159 1.00 11.94 H new ATOM 0 HG13 ILE A 3 8.616 22.407 -21.794 1.00 11.94 H new ATOM 0 HG21 ILE A 3 8.876 21.235 -19.643 1.00 10.70 H new ATOM 0 HG22 ILE A 3 10.002 19.866 -19.481 1.00 10.70 H new ATOM 0 HG23 ILE A 3 10.627 21.532 -19.525 1.00 10.70 H new ATOM 0 HD11 ILE A 3 10.255 24.203 -22.164 1.00 12.63 H new ATOM 0 HD12 ILE A 3 10.540 23.418 -20.592 1.00 12.63 H new ATOM 0 HD13 ILE A 3 11.591 23.042 -21.978 1.00 12.63 H new ATOM 65 N PRO A 4 12.895 18.452 -21.052 1.00 8.46 N ATOM 66 CA PRO A 4 13.251 17.092 -20.675 1.00 7.68 C ATOM 67 C PRO A 4 12.878 16.831 -19.210 1.00 6.62 C ATOM 68 O PRO A 4 13.747 16.712 -18.351 1.00 7.10 O ATOM 69 CB PRO A 4 14.758 16.997 -20.938 1.00 8.80 C ATOM 70 CG PRO A 4 15.241 18.417 -20.650 1.00 9.66 C ATOM 71 CD PRO A 4 14.088 19.279 -21.166 1.00 9.70 C ATOM 0 HA PRO A 4 12.715 16.332 -21.243 1.00 7.68 H new ATOM 0 HB2 PRO A 4 15.237 16.267 -20.286 1.00 8.80 H new ATOM 0 HB3 PRO A 4 14.972 16.697 -21.964 1.00 8.80 H new ATOM 0 HG2 PRO A 4 15.420 18.575 -19.586 1.00 9.66 H new ATOM 0 HG3 PRO A 4 16.175 18.639 -21.167 1.00 9.66 H new ATOM 0 HD2 PRO A 4 13.989 20.192 -20.579 1.00 9.70 H new ATOM 0 HD3 PRO A 4 14.257 19.581 -22.199 1.00 9.70 H new ATOM 79 N CYS A 5 11.577 16.751 -18.919 1.00 5.77 N ATOM 80 CA CYS A 5 11.049 16.495 -17.579 1.00 5.24 C ATOM 81 C CYS A 5 9.770 15.667 -17.696 1.00 4.40 C ATOM 82 O CYS A 5 8.750 15.962 -17.083 1.00 4.65 O ATOM 83 CB CYS A 5 10.842 17.818 -16.819 1.00 6.22 C ATOM 84 SG CYS A 5 12.344 18.246 -15.907 1.00 7.32 S ATOM 0 H CYS A 5 10.848 16.865 -19.623 1.00 5.77 H new ATOM 0 HA CYS A 5 11.765 15.918 -16.994 1.00 5.24 H new ATOM 0 HB2 CYS A 5 10.592 18.615 -17.520 1.00 6.22 H new ATOM 0 HB3 CYS A 5 10.002 17.724 -16.130 1.00 6.22 H new ATOM 0 HG CYS A 5 13.384 17.813 -16.556 1.00 7.32 H new ATOM 90 N CYS A 6 9.835 14.599 -18.494 1.00 4.38 N ATOM 91 CA CYS A 6 8.748 13.632 -18.608 1.00 4.67 C ATOM 92 C CYS A 6 8.409 12.966 -17.260 1.00 3.77 C ATOM 93 O CYS A 6 7.263 13.080 -16.821 1.00 3.70 O ATOM 94 CB CYS A 6 9.024 12.628 -19.734 1.00 6.20 C ATOM 95 SG CYS A 6 7.872 11.240 -19.581 1.00 7.49 S ATOM 0 H CYS A 6 10.643 14.383 -19.078 1.00 4.38 H new ATOM 0 HA CYS A 6 7.845 14.175 -18.888 1.00 4.67 H new ATOM 0 HB2 CYS A 6 8.907 13.109 -20.705 1.00 6.20 H new ATOM 0 HB3 CYS A 6 10.053 12.272 -19.677 1.00 6.20 H new ATOM 0 HG CYS A 6 8.096 10.383 -20.533 1.00 7.49 H new ATOM 101 N PRO A 7 9.347 12.291 -16.566 1.00 3.36 N ATOM 102 CA PRO A 7 9.052 11.615 -15.306 1.00 2.84 C ATOM 103 C PRO A 7 8.994 12.614 -14.139 1.00 2.32 C ATOM 104 O PRO A 7 9.778 12.527 -13.195 1.00 2.29 O ATOM 105 CB PRO A 7 10.170 10.578 -15.149 1.00 3.32 C ATOM 106 CG PRO A 7 11.362 11.282 -15.794 1.00 3.71 C ATOM 107 CD PRO A 7 10.713 11.998 -16.979 1.00 3.85 C ATOM 0 HA PRO A 7 8.073 11.137 -15.304 1.00 2.84 H new ATOM 0 HB2 PRO A 7 10.357 10.338 -14.102 1.00 3.32 H new ATOM 0 HB3 PRO A 7 9.930 9.642 -15.653 1.00 3.32 H new ATOM 0 HG2 PRO A 7 11.841 11.981 -15.109 1.00 3.71 H new ATOM 0 HG3 PRO A 7 12.127 10.575 -16.115 1.00 3.71 H new ATOM 0 HD2 PRO A 7 11.252 12.913 -17.226 1.00 3.85 H new ATOM 0 HD3 PRO A 7 10.726 11.370 -17.870 1.00 3.85 H new ATOM 115 N VAL A 8 8.048 13.554 -14.211 1.00 2.47 N ATOM 116 CA VAL A 8 7.760 14.546 -13.182 1.00 2.28 C ATOM 117 C VAL A 8 6.783 13.934 -12.170 1.00 1.78 C ATOM 118 O VAL A 8 6.991 12.808 -11.726 1.00 2.36 O ATOM 119 CB VAL A 8 7.352 15.877 -13.853 1.00 3.19 C ATOM 120 CG1 VAL A 8 6.029 15.862 -14.639 1.00 4.83 C ATOM 121 CG2 VAL A 8 7.496 17.097 -12.930 1.00 3.27 C ATOM 0 H VAL A 8 7.438 13.645 -15.024 1.00 2.47 H new ATOM 0 HA VAL A 8 8.632 14.816 -12.587 1.00 2.28 H new ATOM 0 HB VAL A 8 8.102 15.992 -14.636 1.00 3.19 H new ATOM 0 HG11 VAL A 8 5.847 16.849 -15.064 1.00 4.83 H new ATOM 0 HG12 VAL A 8 6.091 15.127 -15.441 1.00 4.83 H new ATOM 0 HG13 VAL A 8 5.211 15.599 -13.969 1.00 4.83 H new ATOM 0 HG21 VAL A 8 7.193 17.996 -13.466 1.00 3.27 H new ATOM 0 HG22 VAL A 8 6.863 16.966 -12.053 1.00 3.27 H new ATOM 0 HG23 VAL A 8 8.535 17.195 -12.616 1.00 3.27 H new ATOM 131 N ASN A 9 5.728 14.658 -11.789 1.00 1.77 N ATOM 132 CA ASN A 9 4.677 14.253 -10.849 1.00 1.32 C ATOM 133 C ASN A 9 4.316 12.766 -10.920 1.00 0.99 C ATOM 134 O ASN A 9 4.112 12.132 -9.888 1.00 0.96 O ATOM 135 CB ASN A 9 3.404 15.081 -11.088 1.00 1.57 C ATOM 136 CG ASN A 9 3.639 16.577 -10.916 1.00 2.06 C ATOM 137 OD1 ASN A 9 4.357 17.178 -11.708 1.00 3.54 O ATOM 138 ND2 ASN A 9 3.056 17.192 -9.891 1.00 2.51 N ATOM 0 H ASN A 9 5.574 15.600 -12.150 1.00 1.77 H new ATOM 0 HA ASN A 9 5.086 14.437 -9.856 1.00 1.32 H new ATOM 0 HB2 ASN A 9 3.033 14.888 -12.095 1.00 1.57 H new ATOM 0 HB3 ASN A 9 2.628 14.756 -10.395 1.00 1.57 H new ATOM 0 HD21 ASN A 9 3.201 18.191 -9.747 1.00 2.51 H new ATOM 0 HD22 ASN A 9 2.464 16.664 -9.249 1.00 2.51 H new ATOM 145 N LEU A 10 4.241 12.209 -12.132 1.00 1.12 N ATOM 146 CA LEU A 10 3.884 10.822 -12.397 1.00 1.06 C ATOM 147 C LEU A 10 4.788 9.883 -11.595 1.00 0.88 C ATOM 148 O LEU A 10 4.327 8.906 -11.008 1.00 0.78 O ATOM 149 CB LEU A 10 3.998 10.600 -13.915 1.00 1.37 C ATOM 150 CG LEU A 10 3.604 9.217 -14.464 1.00 2.68 C ATOM 151 CD1 LEU A 10 4.691 8.155 -14.262 1.00 3.94 C ATOM 152 CD2 LEU A 10 2.254 8.729 -13.928 1.00 3.67 C ATOM 0 H LEU A 10 4.435 12.735 -12.984 1.00 1.12 H new ATOM 0 HA LEU A 10 2.864 10.604 -12.082 1.00 1.06 H new ATOM 0 HB2 LEU A 10 3.379 11.347 -14.411 1.00 1.37 H new ATOM 0 HB3 LEU A 10 5.030 10.796 -14.207 1.00 1.37 H new ATOM 0 HG LEU A 10 3.496 9.362 -15.539 1.00 2.68 H new ATOM 0 HD11 LEU A 10 4.351 7.204 -14.671 1.00 3.94 H new ATOM 0 HD12 LEU A 10 5.602 8.465 -14.774 1.00 3.94 H new ATOM 0 HD13 LEU A 10 4.894 8.040 -13.197 1.00 3.94 H new ATOM 0 HD21 LEU A 10 2.028 7.749 -14.349 1.00 3.67 H new ATOM 0 HD22 LEU A 10 2.299 8.655 -12.841 1.00 3.67 H new ATOM 0 HD23 LEU A 10 1.473 9.435 -14.212 1.00 3.67 H new ATOM 164 N LYS A 11 6.078 10.208 -11.524 1.00 0.88 N ATOM 165 CA LYS A 11 7.046 9.455 -10.746 1.00 0.74 C ATOM 166 C LYS A 11 6.601 9.413 -9.281 1.00 0.52 C ATOM 167 O LYS A 11 6.485 8.342 -8.685 1.00 0.49 O ATOM 168 CB LYS A 11 8.426 10.104 -10.926 1.00 0.85 C ATOM 169 CG LYS A 11 9.573 9.223 -10.418 1.00 1.45 C ATOM 170 CD LYS A 11 10.901 9.959 -10.643 1.00 2.41 C ATOM 171 CE LYS A 11 12.092 9.070 -10.260 1.00 2.75 C ATOM 172 NZ LYS A 11 13.384 9.754 -10.475 1.00 3.65 N ATOM 0 H LYS A 11 6.479 11.009 -12.011 1.00 0.88 H new ATOM 0 HA LYS A 11 7.112 8.422 -11.089 1.00 0.74 H new ATOM 0 HB2 LYS A 11 8.584 10.323 -11.982 1.00 0.85 H new ATOM 0 HB3 LYS A 11 8.445 11.057 -10.397 1.00 0.85 H new ATOM 0 HG2 LYS A 11 9.439 9.003 -9.359 1.00 1.45 H new ATOM 0 HG3 LYS A 11 9.577 8.268 -10.944 1.00 1.45 H new ATOM 0 HD2 LYS A 11 10.985 10.255 -11.689 1.00 2.41 H new ATOM 0 HD3 LYS A 11 10.919 10.874 -10.050 1.00 2.41 H new ATOM 0 HE2 LYS A 11 12.005 8.779 -9.213 1.00 2.75 H new ATOM 0 HE3 LYS A 11 12.065 8.153 -10.849 1.00 2.75 H new ATOM 0 HZ1 LYS A 11 14.162 9.119 -10.204 1.00 3.65 H new ATOM 0 HZ2 LYS A 11 13.479 10.009 -11.479 1.00 3.65 H new ATOM 0 HZ3 LYS A 11 13.422 10.615 -9.894 1.00 3.65 H new ATOM 186 N ARG A 12 6.334 10.581 -8.692 1.00 0.52 N ATOM 187 CA ARG A 12 5.952 10.670 -7.304 1.00 0.48 C ATOM 188 C ARG A 12 4.572 10.055 -7.065 1.00 0.33 C ATOM 189 O ARG A 12 4.306 9.506 -5.998 1.00 0.41 O ATOM 190 CB ARG A 12 5.978 12.157 -6.930 1.00 0.86 C ATOM 191 CG ARG A 12 5.947 12.291 -5.417 1.00 1.53 C ATOM 192 CD ARG A 12 5.882 13.757 -4.971 1.00 2.01 C ATOM 193 NE ARG A 12 5.796 13.873 -3.504 1.00 3.01 N ATOM 194 CZ ARG A 12 4.688 13.676 -2.768 1.00 3.81 C ATOM 195 NH1 ARG A 12 3.546 13.314 -3.363 1.00 4.29 N ATOM 196 NH2 ARG A 12 4.728 13.839 -1.441 1.00 5.00 N ATOM 0 H ARG A 12 6.380 11.480 -9.171 1.00 0.52 H new ATOM 0 HA ARG A 12 6.643 10.106 -6.678 1.00 0.48 H new ATOM 0 HB2 ARG A 12 6.875 12.630 -7.331 1.00 0.86 H new ATOM 0 HB3 ARG A 12 5.123 12.670 -7.370 1.00 0.86 H new ATOM 0 HG2 ARG A 12 5.084 11.754 -5.023 1.00 1.53 H new ATOM 0 HG3 ARG A 12 6.835 11.822 -4.993 1.00 1.53 H new ATOM 0 HD2 ARG A 12 6.766 14.286 -5.327 1.00 2.01 H new ATOM 0 HD3 ARG A 12 5.017 14.239 -5.426 1.00 2.01 H new ATOM 0 HE ARG A 12 6.649 14.124 -3.005 1.00 3.01 H new ATOM 0 HH11 ARG A 12 3.516 13.187 -4.375 1.00 4.29 H new ATOM 0 HH12 ARG A 12 2.705 13.164 -2.805 1.00 4.29 H new ATOM 0 HH21 ARG A 12 5.599 14.113 -0.987 1.00 5.00 H new ATOM 0 HH22 ARG A 12 3.887 13.689 -0.883 1.00 5.00 H new ATOM 210 N LEU A 13 3.730 10.054 -8.094 1.00 0.25 N ATOM 211 CA LEU A 13 2.448 9.378 -8.051 1.00 0.25 C ATOM 212 C LEU A 13 2.699 7.881 -7.933 1.00 0.26 C ATOM 213 O LEU A 13 2.139 7.239 -7.053 1.00 0.37 O ATOM 214 CB LEU A 13 1.579 9.759 -9.249 1.00 0.35 C ATOM 215 CG LEU A 13 0.242 9.001 -9.320 1.00 0.78 C ATOM 216 CD1 LEU A 13 -0.635 9.251 -8.088 1.00 2.17 C ATOM 217 CD2 LEU A 13 -0.509 9.443 -10.580 1.00 1.94 C ATOM 0 H LEU A 13 3.922 10.523 -8.979 1.00 0.25 H new ATOM 0 HA LEU A 13 1.878 9.696 -7.178 1.00 0.25 H new ATOM 0 HB2 LEU A 13 1.376 10.829 -9.212 1.00 0.35 H new ATOM 0 HB3 LEU A 13 2.139 9.572 -10.165 1.00 0.35 H new ATOM 0 HG LEU A 13 0.461 7.934 -9.351 1.00 0.78 H new ATOM 0 HD11 LEU A 13 -1.567 8.694 -8.186 1.00 2.17 H new ATOM 0 HD12 LEU A 13 -0.108 8.921 -7.193 1.00 2.17 H new ATOM 0 HD13 LEU A 13 -0.855 10.316 -8.008 1.00 2.17 H new ATOM 0 HD21 LEU A 13 -1.459 8.913 -10.642 1.00 1.94 H new ATOM 0 HD22 LEU A 13 -0.695 10.516 -10.535 1.00 1.94 H new ATOM 0 HD23 LEU A 13 0.092 9.215 -11.460 1.00 1.94 H new ATOM 229 N LEU A 14 3.571 7.326 -8.776 1.00 0.26 N ATOM 230 CA LEU A 14 3.941 5.923 -8.700 1.00 0.33 C ATOM 231 C LEU A 14 4.468 5.565 -7.310 1.00 0.24 C ATOM 232 O LEU A 14 4.044 4.573 -6.719 1.00 0.33 O ATOM 233 CB LEU A 14 4.949 5.582 -9.808 1.00 0.45 C ATOM 234 CG LEU A 14 4.954 4.089 -10.180 1.00 0.65 C ATOM 235 CD1 LEU A 14 3.688 3.672 -10.943 1.00 2.10 C ATOM 236 CD2 LEU A 14 6.177 3.798 -11.057 1.00 1.67 C ATOM 0 H LEU A 14 4.036 7.839 -9.525 1.00 0.26 H new ATOM 0 HA LEU A 14 3.051 5.315 -8.862 1.00 0.33 H new ATOM 0 HB2 LEU A 14 4.717 6.171 -10.696 1.00 0.45 H new ATOM 0 HB3 LEU A 14 5.948 5.873 -9.484 1.00 0.45 H new ATOM 0 HG LEU A 14 4.987 3.518 -9.252 1.00 0.65 H new ATOM 0 HD11 LEU A 14 3.741 2.610 -11.182 1.00 2.10 H new ATOM 0 HD12 LEU A 14 2.811 3.862 -10.324 1.00 2.10 H new ATOM 0 HD13 LEU A 14 3.613 4.248 -11.865 1.00 2.10 H new ATOM 0 HD21 LEU A 14 6.189 2.742 -11.326 1.00 1.67 H new ATOM 0 HD22 LEU A 14 6.127 4.402 -11.963 1.00 1.67 H new ATOM 0 HD23 LEU A 14 7.086 4.043 -10.507 1.00 1.67 H new ATOM 248 N VAL A 15 5.357 6.398 -6.762 1.00 0.18 N ATOM 249 CA VAL A 15 5.841 6.213 -5.395 1.00 0.28 C ATOM 250 C VAL A 15 4.658 6.155 -4.416 1.00 0.37 C ATOM 251 O VAL A 15 4.549 5.218 -3.625 1.00 0.43 O ATOM 252 CB VAL A 15 6.870 7.297 -5.023 1.00 0.41 C ATOM 253 CG1 VAL A 15 7.280 7.207 -3.546 1.00 0.59 C ATOM 254 CG2 VAL A 15 8.137 7.153 -5.877 1.00 0.44 C ATOM 0 H VAL A 15 5.754 7.204 -7.244 1.00 0.18 H new ATOM 0 HA VAL A 15 6.362 5.258 -5.327 1.00 0.28 H new ATOM 0 HB VAL A 15 6.393 8.260 -5.207 1.00 0.41 H new ATOM 0 HG11 VAL A 15 8.007 7.988 -3.322 1.00 0.59 H new ATOM 0 HG12 VAL A 15 6.401 7.338 -2.916 1.00 0.59 H new ATOM 0 HG13 VAL A 15 7.724 6.231 -3.351 1.00 0.59 H new ATOM 0 HG21 VAL A 15 8.852 7.927 -5.600 1.00 0.44 H new ATOM 0 HG22 VAL A 15 8.580 6.172 -5.707 1.00 0.44 H new ATOM 0 HG23 VAL A 15 7.879 7.257 -6.931 1.00 0.44 H new ATOM 264 N VAL A 16 3.752 7.137 -4.472 1.00 0.44 N ATOM 265 CA VAL A 16 2.568 7.133 -3.621 1.00 0.59 C ATOM 266 C VAL A 16 1.774 5.837 -3.819 1.00 0.62 C ATOM 267 O VAL A 16 1.393 5.207 -2.837 1.00 0.72 O ATOM 268 CB VAL A 16 1.731 8.406 -3.845 1.00 0.65 C ATOM 269 CG1 VAL A 16 0.351 8.308 -3.181 1.00 0.82 C ATOM 270 CG2 VAL A 16 2.460 9.621 -3.254 1.00 0.70 C ATOM 0 H VAL A 16 3.820 7.940 -5.097 1.00 0.44 H new ATOM 0 HA VAL A 16 2.872 7.153 -2.575 1.00 0.59 H new ATOM 0 HB VAL A 16 1.598 8.517 -4.921 1.00 0.65 H new ATOM 0 HG11 VAL A 16 -0.207 9.227 -3.363 1.00 0.82 H new ATOM 0 HG12 VAL A 16 -0.195 7.463 -3.600 1.00 0.82 H new ATOM 0 HG13 VAL A 16 0.473 8.165 -2.107 1.00 0.82 H new ATOM 0 HG21 VAL A 16 1.862 10.518 -3.416 1.00 0.70 H new ATOM 0 HG22 VAL A 16 2.608 9.472 -2.184 1.00 0.70 H new ATOM 0 HG23 VAL A 16 3.428 9.737 -3.741 1.00 0.70 H new ATOM 280 N VAL A 17 1.545 5.407 -5.063 1.00 0.58 N ATOM 281 CA VAL A 17 0.845 4.171 -5.351 1.00 0.65 C ATOM 282 C VAL A 17 1.534 2.998 -4.649 1.00 0.59 C ATOM 283 O VAL A 17 0.863 2.207 -3.993 1.00 0.63 O ATOM 284 CB VAL A 17 0.685 3.978 -6.870 1.00 0.67 C ATOM 285 CG1 VAL A 17 0.177 2.573 -7.203 1.00 0.78 C ATOM 286 CG2 VAL A 17 -0.320 4.993 -7.434 1.00 0.78 C ATOM 0 H VAL A 17 1.845 5.915 -5.895 1.00 0.58 H new ATOM 0 HA VAL A 17 -0.167 4.218 -4.949 1.00 0.65 H new ATOM 0 HB VAL A 17 1.668 4.125 -7.318 1.00 0.67 H new ATOM 0 HG11 VAL A 17 0.075 2.470 -8.283 1.00 0.78 H new ATOM 0 HG12 VAL A 17 0.886 1.833 -6.833 1.00 0.78 H new ATOM 0 HG13 VAL A 17 -0.792 2.415 -6.730 1.00 0.78 H new ATOM 0 HG21 VAL A 17 -0.423 4.844 -8.509 1.00 0.78 H new ATOM 0 HG22 VAL A 17 -1.288 4.852 -6.954 1.00 0.78 H new ATOM 0 HG23 VAL A 17 0.037 6.005 -7.240 1.00 0.78 H new ATOM 296 N VAL A 18 2.862 2.884 -4.738 1.00 0.52 N ATOM 297 CA VAL A 18 3.597 1.852 -4.025 1.00 0.49 C ATOM 298 C VAL A 18 3.299 1.913 -2.521 1.00 0.51 C ATOM 299 O VAL A 18 3.033 0.882 -1.902 1.00 0.53 O ATOM 300 CB VAL A 18 5.104 1.920 -4.345 1.00 0.43 C ATOM 301 CG1 VAL A 18 5.918 0.974 -3.451 1.00 0.46 C ATOM 302 CG2 VAL A 18 5.362 1.533 -5.808 1.00 0.44 C ATOM 0 H VAL A 18 3.447 3.501 -5.302 1.00 0.52 H new ATOM 0 HA VAL A 18 3.256 0.877 -4.372 1.00 0.49 H new ATOM 0 HB VAL A 18 5.418 2.947 -4.161 1.00 0.43 H new ATOM 0 HG11 VAL A 18 6.975 1.051 -3.707 1.00 0.46 H new ATOM 0 HG12 VAL A 18 5.777 1.250 -2.406 1.00 0.46 H new ATOM 0 HG13 VAL A 18 5.581 -0.051 -3.604 1.00 0.46 H new ATOM 0 HG21 VAL A 18 6.431 1.587 -6.016 1.00 0.44 H new ATOM 0 HG22 VAL A 18 5.009 0.517 -5.983 1.00 0.44 H new ATOM 0 HG23 VAL A 18 4.830 2.220 -6.465 1.00 0.44 H new ATOM 312 N VAL A 19 3.312 3.109 -1.924 1.00 0.51 N ATOM 313 CA VAL A 19 3.011 3.251 -0.506 1.00 0.53 C ATOM 314 C VAL A 19 1.591 2.747 -0.235 1.00 0.58 C ATOM 315 O VAL A 19 1.373 1.954 0.679 1.00 0.56 O ATOM 316 CB VAL A 19 3.239 4.697 -0.027 1.00 0.56 C ATOM 317 CG1 VAL A 19 2.806 4.874 1.435 1.00 0.66 C ATOM 318 CG2 VAL A 19 4.723 5.072 -0.134 1.00 0.48 C ATOM 0 H VAL A 19 3.527 3.984 -2.402 1.00 0.51 H new ATOM 0 HA VAL A 19 3.698 2.637 0.076 1.00 0.53 H new ATOM 0 HB VAL A 19 2.639 5.344 -0.666 1.00 0.56 H new ATOM 0 HG11 VAL A 19 2.979 5.905 1.744 1.00 0.66 H new ATOM 0 HG12 VAL A 19 1.746 4.640 1.531 1.00 0.66 H new ATOM 0 HG13 VAL A 19 3.385 4.203 2.070 1.00 0.66 H new ATOM 0 HG21 VAL A 19 4.865 6.097 0.209 1.00 0.48 H new ATOM 0 HG22 VAL A 19 5.314 4.397 0.485 1.00 0.48 H new ATOM 0 HG23 VAL A 19 5.045 4.989 -1.172 1.00 0.48 H new ATOM 328 N VAL A 20 0.627 3.179 -1.049 1.00 0.64 N ATOM 329 CA VAL A 20 -0.756 2.747 -0.950 1.00 0.70 C ATOM 330 C VAL A 20 -0.846 1.218 -1.007 1.00 0.66 C ATOM 331 O VAL A 20 -1.495 0.608 -0.161 1.00 0.66 O ATOM 332 CB VAL A 20 -1.633 3.444 -2.008 1.00 0.77 C ATOM 333 CG1 VAL A 20 -3.046 2.846 -2.061 1.00 0.88 C ATOM 334 CG2 VAL A 20 -1.762 4.941 -1.694 1.00 0.81 C ATOM 0 H VAL A 20 0.793 3.846 -1.802 1.00 0.64 H new ATOM 0 HA VAL A 20 -1.153 3.050 0.019 1.00 0.70 H new ATOM 0 HB VAL A 20 -1.144 3.294 -2.971 1.00 0.77 H new ATOM 0 HG11 VAL A 20 -3.632 3.365 -2.819 1.00 0.88 H new ATOM 0 HG12 VAL A 20 -2.984 1.787 -2.312 1.00 0.88 H new ATOM 0 HG13 VAL A 20 -3.526 2.961 -1.089 1.00 0.88 H new ATOM 0 HG21 VAL A 20 -2.384 5.419 -2.450 1.00 0.81 H new ATOM 0 HG22 VAL A 20 -2.220 5.069 -0.713 1.00 0.81 H new ATOM 0 HG23 VAL A 20 -0.773 5.400 -1.695 1.00 0.81 H new ATOM 344 N VAL A 21 -0.184 0.584 -1.976 1.00 0.64 N ATOM 345 CA VAL A 21 -0.144 -0.859 -2.108 1.00 0.61 C ATOM 346 C VAL A 21 0.409 -1.492 -0.831 1.00 0.54 C ATOM 347 O VAL A 21 -0.160 -2.460 -0.335 1.00 0.51 O ATOM 348 CB VAL A 21 0.694 -1.206 -3.347 1.00 0.62 C ATOM 349 CG1 VAL A 21 1.075 -2.683 -3.388 1.00 0.61 C ATOM 350 CG2 VAL A 21 -0.079 -0.871 -4.630 1.00 0.66 C ATOM 0 H VAL A 21 0.345 1.073 -2.698 1.00 0.64 H new ATOM 0 HA VAL A 21 -1.147 -1.264 -2.244 1.00 0.61 H new ATOM 0 HB VAL A 21 1.604 -0.610 -3.283 1.00 0.62 H new ATOM 0 HG11 VAL A 21 1.667 -2.881 -4.282 1.00 0.61 H new ATOM 0 HG12 VAL A 21 1.660 -2.933 -2.503 1.00 0.61 H new ATOM 0 HG13 VAL A 21 0.171 -3.292 -3.409 1.00 0.61 H new ATOM 0 HG21 VAL A 21 0.530 -1.123 -5.498 1.00 0.66 H new ATOM 0 HG22 VAL A 21 -1.005 -1.445 -4.657 1.00 0.66 H new ATOM 0 HG23 VAL A 21 -0.312 0.194 -4.647 1.00 0.66 H new ATOM 360 N LEU A 22 1.502 -0.954 -0.288 1.00 0.53 N ATOM 361 CA LEU A 22 2.084 -1.427 0.955 1.00 0.49 C ATOM 362 C LEU A 22 1.044 -1.323 2.079 1.00 0.47 C ATOM 363 O LEU A 22 0.819 -2.285 2.810 1.00 0.43 O ATOM 364 CB LEU A 22 3.415 -0.675 1.181 1.00 0.50 C ATOM 365 CG LEU A 22 3.702 -0.225 2.614 1.00 0.51 C ATOM 366 CD1 LEU A 22 4.016 -1.407 3.541 1.00 0.53 C ATOM 367 CD2 LEU A 22 4.893 0.739 2.637 1.00 0.53 C ATOM 0 H LEU A 22 2.007 -0.173 -0.706 1.00 0.53 H new ATOM 0 HA LEU A 22 2.345 -2.485 0.928 1.00 0.49 H new ATOM 0 HB2 LEU A 22 4.232 -1.319 0.854 1.00 0.50 H new ATOM 0 HB3 LEU A 22 3.425 0.205 0.537 1.00 0.50 H new ATOM 0 HG LEU A 22 2.800 0.269 2.975 1.00 0.51 H new ATOM 0 HD11 LEU A 22 4.213 -1.038 4.547 1.00 0.53 H new ATOM 0 HD12 LEU A 22 3.165 -2.087 3.564 1.00 0.53 H new ATOM 0 HD13 LEU A 22 4.894 -1.937 3.171 1.00 0.53 H new ATOM 0 HD21 LEU A 22 5.088 1.052 3.663 1.00 0.53 H new ATOM 0 HD22 LEU A 22 5.775 0.238 2.237 1.00 0.53 H new ATOM 0 HD23 LEU A 22 4.665 1.613 2.027 1.00 0.53 H new ATOM 379 N VAL A 23 0.366 -0.183 2.203 1.00 0.51 N ATOM 380 CA VAL A 23 -0.630 0.039 3.224 1.00 0.52 C ATOM 381 C VAL A 23 -1.782 -0.951 3.058 1.00 0.50 C ATOM 382 O VAL A 23 -2.256 -1.522 4.039 1.00 0.45 O ATOM 383 CB VAL A 23 -1.039 1.516 3.141 1.00 0.58 C ATOM 384 CG1 VAL A 23 -2.362 1.776 3.841 1.00 0.62 C ATOM 385 CG2 VAL A 23 0.050 2.404 3.758 1.00 0.59 C ATOM 0 H VAL A 23 0.502 0.616 1.584 1.00 0.51 H new ATOM 0 HA VAL A 23 -0.249 -0.146 4.228 1.00 0.52 H new ATOM 0 HB VAL A 23 -1.160 1.761 2.086 1.00 0.58 H new ATOM 0 HG11 VAL A 23 -2.615 2.833 3.759 1.00 0.62 H new ATOM 0 HG12 VAL A 23 -3.144 1.178 3.374 1.00 0.62 H new ATOM 0 HG13 VAL A 23 -2.277 1.504 4.893 1.00 0.62 H new ATOM 0 HG21 VAL A 23 -0.253 3.449 3.693 1.00 0.59 H new ATOM 0 HG22 VAL A 23 0.192 2.132 4.804 1.00 0.59 H new ATOM 0 HG23 VAL A 23 0.985 2.262 3.216 1.00 0.59 H new ATOM 395 N VAL A 24 -2.223 -1.199 1.827 1.00 0.54 N ATOM 396 CA VAL A 24 -3.231 -2.171 1.537 1.00 0.53 C ATOM 397 C VAL A 24 -2.743 -3.561 1.940 1.00 0.44 C ATOM 398 O VAL A 24 -3.472 -4.282 2.608 1.00 0.37 O ATOM 399 CB VAL A 24 -3.588 -2.002 0.055 1.00 0.62 C ATOM 400 CG1 VAL A 24 -4.232 -3.251 -0.509 1.00 0.64 C ATOM 401 CG2 VAL A 24 -4.522 -0.799 -0.133 1.00 0.71 C ATOM 0 H VAL A 24 -1.873 -0.713 1.001 1.00 0.54 H new ATOM 0 HA VAL A 24 -4.145 -2.032 2.114 1.00 0.53 H new ATOM 0 HB VAL A 24 -2.661 -1.827 -0.490 1.00 0.62 H new ATOM 0 HG11 VAL A 24 -4.471 -3.094 -1.561 1.00 0.64 H new ATOM 0 HG12 VAL A 24 -3.543 -4.090 -0.415 1.00 0.64 H new ATOM 0 HG13 VAL A 24 -5.147 -3.469 0.042 1.00 0.64 H new ATOM 0 HG21 VAL A 24 -4.767 -0.691 -1.189 1.00 0.71 H new ATOM 0 HG22 VAL A 24 -5.437 -0.956 0.438 1.00 0.71 H new ATOM 0 HG23 VAL A 24 -4.026 0.105 0.219 1.00 0.71 H new ATOM 411 N VAL A 25 -1.512 -3.942 1.597 1.00 0.44 N ATOM 412 CA VAL A 25 -0.920 -5.183 2.045 1.00 0.37 C ATOM 413 C VAL A 25 -0.909 -5.263 3.571 1.00 0.29 C ATOM 414 O VAL A 25 -1.180 -6.325 4.125 1.00 0.23 O ATOM 415 CB VAL A 25 0.463 -5.358 1.394 1.00 0.39 C ATOM 416 CG1 VAL A 25 1.485 -6.058 2.290 1.00 0.31 C ATOM 417 CG2 VAL A 25 0.279 -6.170 0.111 1.00 0.50 C ATOM 0 H VAL A 25 -0.902 -3.388 0.996 1.00 0.44 H new ATOM 0 HA VAL A 25 -1.527 -6.028 1.720 1.00 0.37 H new ATOM 0 HB VAL A 25 0.862 -4.362 1.200 1.00 0.39 H new ATOM 0 HG11 VAL A 25 2.434 -6.144 1.761 1.00 0.31 H new ATOM 0 HG12 VAL A 25 1.629 -5.477 3.201 1.00 0.31 H new ATOM 0 HG13 VAL A 25 1.122 -7.053 2.548 1.00 0.31 H new ATOM 0 HG21 VAL A 25 1.246 -6.310 -0.373 1.00 0.50 H new ATOM 0 HG22 VAL A 25 -0.149 -7.142 0.354 1.00 0.50 H new ATOM 0 HG23 VAL A 25 -0.391 -5.637 -0.564 1.00 0.50 H new ATOM 427 N VAL A 26 -0.627 -4.156 4.259 1.00 0.31 N ATOM 428 CA VAL A 26 -0.641 -4.133 5.714 1.00 0.30 C ATOM 429 C VAL A 26 -2.069 -4.402 6.190 1.00 0.26 C ATOM 430 O VAL A 26 -2.276 -5.240 7.064 1.00 0.24 O ATOM 431 CB VAL A 26 -0.044 -2.822 6.249 1.00 0.40 C ATOM 432 CG1 VAL A 26 -0.523 -2.461 7.661 1.00 0.45 C ATOM 433 CG2 VAL A 26 1.487 -2.889 6.217 1.00 0.43 C ATOM 0 H VAL A 26 -0.386 -3.264 3.827 1.00 0.31 H new ATOM 0 HA VAL A 26 -0.004 -4.919 6.119 1.00 0.30 H new ATOM 0 HB VAL A 26 -0.401 -2.031 5.590 1.00 0.40 H new ATOM 0 HG11 VAL A 26 -0.061 -1.524 7.974 1.00 0.45 H new ATOM 0 HG12 VAL A 26 -1.607 -2.348 7.660 1.00 0.45 H new ATOM 0 HG13 VAL A 26 -0.242 -3.254 8.354 1.00 0.45 H new ATOM 0 HG21 VAL A 26 1.900 -1.955 6.598 1.00 0.43 H new ATOM 0 HG22 VAL A 26 1.828 -3.717 6.838 1.00 0.43 H new ATOM 0 HG23 VAL A 26 1.823 -3.043 5.192 1.00 0.43 H new ATOM 443 N ILE A 27 -3.060 -3.724 5.602 1.00 0.30 N ATOM 444 CA ILE A 27 -4.454 -3.904 5.958 1.00 0.29 C ATOM 445 C ILE A 27 -4.844 -5.369 5.720 1.00 0.19 C ATOM 446 O ILE A 27 -5.499 -5.993 6.553 1.00 0.17 O ATOM 447 CB ILE A 27 -5.309 -2.901 5.165 1.00 0.38 C ATOM 448 CG1 ILE A 27 -5.297 -1.551 5.904 1.00 0.50 C ATOM 449 CG2 ILE A 27 -6.762 -3.372 4.992 1.00 0.36 C ATOM 450 CD1 ILE A 27 -5.640 -0.379 4.979 1.00 0.59 C ATOM 0 H ILE A 27 -2.908 -3.035 4.865 1.00 0.30 H new ATOM 0 HA ILE A 27 -4.629 -3.698 7.014 1.00 0.29 H new ATOM 0 HB ILE A 27 -4.878 -2.809 4.168 1.00 0.38 H new ATOM 0 HG12 ILE A 27 -6.012 -1.583 6.726 1.00 0.50 H new ATOM 0 HG13 ILE A 27 -4.313 -1.388 6.343 1.00 0.50 H new ATOM 0 HG21 ILE A 27 -7.321 -2.627 4.425 1.00 0.36 H new ATOM 0 HG22 ILE A 27 -6.775 -4.321 4.456 1.00 0.36 H new ATOM 0 HG23 ILE A 27 -7.221 -3.502 5.972 1.00 0.36 H new ATOM 0 HD11 ILE A 27 -5.619 0.551 5.547 1.00 0.59 H new ATOM 0 HD12 ILE A 27 -4.910 -0.328 4.171 1.00 0.59 H new ATOM 0 HD13 ILE A 27 -6.636 -0.525 4.560 1.00 0.59 H new ATOM 462 N VAL A 28 -4.425 -5.928 4.582 1.00 0.22 N ATOM 463 CA VAL A 28 -4.761 -7.287 4.199 1.00 0.27 C ATOM 464 C VAL A 28 -4.135 -8.259 5.198 1.00 0.26 C ATOM 465 O VAL A 28 -4.827 -9.119 5.733 1.00 0.35 O ATOM 466 CB VAL A 28 -4.346 -7.541 2.741 1.00 0.41 C ATOM 467 CG1 VAL A 28 -4.364 -9.032 2.393 1.00 0.52 C ATOM 468 CG2 VAL A 28 -5.308 -6.816 1.788 1.00 0.50 C ATOM 0 H VAL A 28 -3.840 -5.442 3.902 1.00 0.22 H new ATOM 0 HA VAL A 28 -5.839 -7.447 4.236 1.00 0.27 H new ATOM 0 HB VAL A 28 -3.329 -7.164 2.628 1.00 0.41 H new ATOM 0 HG11 VAL A 28 -4.064 -9.167 1.354 1.00 0.52 H new ATOM 0 HG12 VAL A 28 -3.670 -9.566 3.043 1.00 0.52 H new ATOM 0 HG13 VAL A 28 -5.370 -9.427 2.535 1.00 0.52 H new ATOM 0 HG21 VAL A 28 -5.007 -7.001 0.757 1.00 0.50 H new ATOM 0 HG22 VAL A 28 -6.321 -7.187 1.942 1.00 0.50 H new ATOM 0 HG23 VAL A 28 -5.279 -5.745 1.988 1.00 0.50 H new ATOM 478 N GLY A 29 -2.841 -8.105 5.482 1.00 0.24 N ATOM 479 CA GLY A 29 -2.165 -8.874 6.515 1.00 0.28 C ATOM 480 C GLY A 29 -2.936 -8.801 7.831 1.00 0.35 C ATOM 481 O GLY A 29 -3.276 -9.827 8.415 1.00 0.53 O ATOM 0 H GLY A 29 -2.236 -7.441 4.999 1.00 0.24 H new ATOM 0 HA2 GLY A 29 -2.071 -9.913 6.200 1.00 0.28 H new ATOM 0 HA3 GLY A 29 -1.154 -8.492 6.658 1.00 0.28 H new ATOM 485 N ALA A 30 -3.239 -7.585 8.286 1.00 0.31 N ATOM 486 CA ALA A 30 -3.970 -7.362 9.527 1.00 0.45 C ATOM 487 C ALA A 30 -5.304 -8.114 9.526 1.00 0.51 C ATOM 488 O ALA A 30 -5.659 -8.747 10.518 1.00 0.68 O ATOM 489 CB ALA A 30 -4.175 -5.863 9.761 1.00 0.51 C ATOM 0 H ALA A 30 -2.982 -6.726 7.800 1.00 0.31 H new ATOM 0 HA ALA A 30 -3.376 -7.757 10.351 1.00 0.45 H new ATOM 0 HB1 ALA A 30 -4.722 -5.711 10.691 1.00 0.51 H new ATOM 0 HB2 ALA A 30 -3.206 -5.369 9.826 1.00 0.51 H new ATOM 0 HB3 ALA A 30 -4.743 -5.440 8.933 1.00 0.51 H new ATOM 495 N LEU A 31 -6.042 -8.067 8.415 1.00 0.41 N ATOM 496 CA LEU A 31 -7.280 -8.785 8.238 1.00 0.50 C ATOM 497 C LEU A 31 -7.017 -10.297 8.327 1.00 0.64 C ATOM 498 O LEU A 31 -7.747 -11.004 9.017 1.00 0.91 O ATOM 499 CB LEU A 31 -7.894 -8.273 6.924 1.00 0.40 C ATOM 500 CG LEU A 31 -8.875 -9.244 6.289 1.00 0.56 C ATOM 501 CD1 LEU A 31 -10.134 -9.454 7.139 1.00 0.70 C ATOM 502 CD2 LEU A 31 -9.267 -8.765 4.887 1.00 0.56 C ATOM 0 H LEU A 31 -5.778 -7.512 7.601 1.00 0.41 H new ATOM 0 HA LEU A 31 -8.015 -8.607 9.023 1.00 0.50 H new ATOM 0 HB2 LEU A 31 -8.404 -7.329 7.115 1.00 0.40 H new ATOM 0 HB3 LEU A 31 -7.092 -8.065 6.215 1.00 0.40 H new ATOM 0 HG LEU A 31 -8.366 -10.206 6.221 1.00 0.56 H new ATOM 0 HD11 LEU A 31 -10.799 -10.157 6.637 1.00 0.70 H new ATOM 0 HD12 LEU A 31 -9.853 -9.853 8.113 1.00 0.70 H new ATOM 0 HD13 LEU A 31 -10.646 -8.501 7.272 1.00 0.70 H new ATOM 0 HD21 LEU A 31 -9.970 -9.471 4.445 1.00 0.56 H new ATOM 0 HD22 LEU A 31 -9.734 -7.782 4.956 1.00 0.56 H new ATOM 0 HD23 LEU A 31 -8.376 -8.701 4.262 1.00 0.56 H new ATOM 514 N LEU A 32 -5.985 -10.802 7.643 1.00 0.54 N ATOM 515 CA LEU A 32 -5.668 -12.226 7.623 1.00 0.73 C ATOM 516 C LEU A 32 -5.321 -12.744 9.021 1.00 0.82 C ATOM 517 O LEU A 32 -5.871 -13.759 9.443 1.00 0.97 O ATOM 518 CB LEU A 32 -4.536 -12.516 6.625 1.00 0.77 C ATOM 519 CG LEU A 32 -4.970 -12.380 5.155 1.00 1.25 C ATOM 520 CD1 LEU A 32 -3.724 -12.330 4.264 1.00 1.93 C ATOM 521 CD2 LEU A 32 -5.852 -13.553 4.708 1.00 1.70 C ATOM 0 H LEU A 32 -5.348 -10.231 7.088 1.00 0.54 H new ATOM 0 HA LEU A 32 -6.558 -12.761 7.292 1.00 0.73 H new ATOM 0 HB2 LEU A 32 -3.708 -11.833 6.817 1.00 0.77 H new ATOM 0 HB3 LEU A 32 -4.162 -13.526 6.794 1.00 0.77 H new ATOM 0 HG LEU A 32 -5.552 -11.463 5.063 1.00 1.25 H new ATOM 0 HD11 LEU A 32 -4.026 -12.234 3.221 1.00 1.93 H new ATOM 0 HD12 LEU A 32 -3.110 -11.474 4.545 1.00 1.93 H new ATOM 0 HD13 LEU A 32 -3.148 -13.247 4.392 1.00 1.93 H new ATOM 0 HD21 LEU A 32 -6.136 -13.418 3.664 1.00 1.70 H new ATOM 0 HD22 LEU A 32 -5.299 -14.486 4.815 1.00 1.70 H new ATOM 0 HD23 LEU A 32 -6.749 -13.590 5.326 1.00 1.70 H new ATOM 533 N MET A 33 -4.414 -12.076 9.742 1.00 0.82 N ATOM 534 CA MET A 33 -4.124 -12.452 11.124 1.00 0.99 C ATOM 535 C MET A 33 -5.362 -12.263 12.005 1.00 1.05 C ATOM 536 O MET A 33 -5.628 -13.086 12.879 1.00 1.39 O ATOM 537 CB MET A 33 -2.930 -11.664 11.686 1.00 1.05 C ATOM 538 CG MET A 33 -1.578 -12.262 11.265 1.00 2.48 C ATOM 539 SD MET A 33 -0.993 -11.896 9.592 1.00 4.17 S ATOM 540 CE MET A 33 -0.480 -10.175 9.802 1.00 3.97 C ATOM 0 H MET A 33 -3.876 -11.282 9.394 1.00 0.82 H new ATOM 0 HA MET A 33 -3.852 -13.508 11.130 1.00 0.99 H new ATOM 0 HB2 MET A 33 -2.988 -10.630 11.345 1.00 1.05 H new ATOM 0 HB3 MET A 33 -2.992 -11.644 12.774 1.00 1.05 H new ATOM 0 HG2 MET A 33 -0.822 -11.916 11.970 1.00 2.48 H new ATOM 0 HG3 MET A 33 -1.641 -13.345 11.371 1.00 2.48 H new ATOM 0 HE1 MET A 33 -0.075 -9.799 8.862 1.00 3.97 H new ATOM 0 HE2 MET A 33 -1.340 -9.572 10.094 1.00 3.97 H new ATOM 0 HE3 MET A 33 0.285 -10.115 10.576 1.00 3.97 H new ATOM 550 N GLY A 34 -6.110 -11.182 11.778 1.00 0.83 N ATOM 551 CA GLY A 34 -7.236 -10.791 12.604 1.00 0.90 C ATOM 552 C GLY A 34 -6.745 -9.872 13.717 1.00 1.92 C ATOM 553 O GLY A 34 -6.985 -10.139 14.893 1.00 2.65 O ATOM 0 H GLY A 34 -5.941 -10.547 10.998 1.00 0.83 H new ATOM 0 HA2 GLY A 34 -7.986 -10.281 12.000 1.00 0.90 H new ATOM 0 HA3 GLY A 34 -7.715 -11.673 13.029 1.00 0.90 H new ATOM 557 N LEU A 35 -6.091 -8.779 13.312 1.00 3.05 N ATOM 558 CA LEU A 35 -5.397 -7.829 14.164 1.00 5.13 C ATOM 559 C LEU A 35 -4.348 -8.554 15.016 1.00 6.60 C ATOM 560 O LEU A 35 -4.342 -8.391 16.234 1.00 7.65 O ATOM 561 CB LEU A 35 -6.432 -7.016 14.954 1.00 5.74 C ATOM 562 CG LEU A 35 -5.889 -5.752 15.645 1.00 7.12 C ATOM 563 CD1 LEU A 35 -5.460 -4.681 14.635 1.00 8.06 C ATOM 564 CD2 LEU A 35 -6.983 -5.175 16.550 1.00 7.70 C ATOM 565 OXT LEU A 35 -3.460 -9.158 14.416 1.00 7.38 O ATOM 0 H LEU A 35 -6.033 -8.526 12.326 1.00 3.05 H new ATOM 0 HA LEU A 35 -4.830 -7.106 13.578 1.00 5.13 H new ATOM 0 HB2 LEU A 35 -7.234 -6.723 14.276 1.00 5.74 H new ATOM 0 HB3 LEU A 35 -6.875 -7.662 15.712 1.00 5.74 H new ATOM 0 HG LEU A 35 -5.010 -6.036 16.223 1.00 7.12 H new ATOM 0 HD11 LEU A 35 -5.084 -3.808 15.168 1.00 8.06 H new ATOM 0 HD12 LEU A 35 -4.675 -5.080 13.993 1.00 8.06 H new ATOM 0 HD13 LEU A 35 -6.316 -4.393 14.025 1.00 8.06 H new ATOM 0 HD21 LEU A 35 -6.610 -4.279 17.045 1.00 7.70 H new ATOM 0 HD22 LEU A 35 -7.856 -4.921 15.949 1.00 7.70 H new ATOM 0 HD23 LEU A 35 -7.262 -5.915 17.300 1.00 7.70 H new TER 577 LEU A 35