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+ -169:sc= -1.53 (180deg=-1.58) USER MOD Single : A 5 CYS SG : rot -48:sc= -0.181 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.145 X(o=0.15,f=-0.12) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 175:sc= 0 (180deg=-0.0253) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 17.393 22.202 -17.682 1.00 16.47 N ATOM 2 CA LEU A 1 18.792 22.399 -18.098 1.00 16.76 C ATOM 3 C LEU A 1 19.595 22.716 -16.841 1.00 16.90 C ATOM 4 O LEU A 1 19.482 23.815 -16.302 1.00 17.32 O ATOM 5 CB LEU A 1 18.971 23.423 -19.239 1.00 17.33 C ATOM 6 CG LEU A 1 18.034 24.646 -19.361 1.00 17.59 C ATOM 7 CD1 LEU A 1 16.603 24.303 -19.801 1.00 16.93 C ATOM 8 CD2 LEU A 1 18.016 25.571 -18.140 1.00 18.37 C ATOM 0 H1 LEU A 1 16.848 21.803 -18.473 1.00 16.47 H new ATOM 0 H2 LEU A 1 17.360 21.548 -16.874 1.00 16.47 H new ATOM 0 H3 LEU A 1 16.981 23.116 -17.404 1.00 16.47 H new ATOM 0 HA LEU A 1 19.173 21.485 -18.554 1.00 16.76 H new ATOM 0 HB2 LEU A 1 19.989 23.806 -19.168 1.00 17.33 H new ATOM 0 HB3 LEU A 1 18.902 22.872 -20.177 1.00 17.33 H new ATOM 0 HG LEU A 1 18.497 25.210 -20.171 1.00 17.59 H new ATOM 0 HD11 LEU A 1 16.012 25.217 -19.862 1.00 16.93 H new ATOM 0 HD12 LEU A 1 16.628 23.822 -20.779 1.00 16.93 H new ATOM 0 HD13 LEU A 1 16.152 23.626 -19.075 1.00 16.93 H new ATOM 0 HD21 LEU A 1 17.330 26.399 -18.321 1.00 18.37 H new ATOM 0 HD22 LEU A 1 17.687 25.011 -17.264 1.00 18.37 H new ATOM 0 HD23 LEU A 1 19.018 25.962 -17.965 1.00 18.37 H new ATOM 22 N ARG A 2 20.361 21.732 -16.356 1.00 16.81 N ATOM 23 CA ARG A 2 20.824 21.663 -14.978 1.00 16.92 C ATOM 24 C ARG A 2 19.575 21.481 -14.093 1.00 15.68 C ATOM 25 O ARG A 2 18.457 21.477 -14.615 1.00 14.84 O ATOM 26 CB ARG A 2 21.707 22.851 -14.557 1.00 18.38 C ATOM 27 CG ARG A 2 22.986 23.075 -15.387 1.00 19.16 C ATOM 28 CD ARG A 2 22.789 23.754 -16.751 1.00 18.97 C ATOM 29 NE ARG A 2 21.935 24.953 -16.643 1.00 18.91 N ATOM 30 CZ ARG A 2 22.282 26.241 -16.814 1.00 20.03 C ATOM 31 NH1 ARG A 2 23.537 26.581 -17.134 1.00 21.30 N ATOM 32 NH2 ARG A 2 21.354 27.192 -16.662 1.00 20.10 N ATOM 0 H ARG A 2 20.679 20.949 -16.927 1.00 16.81 H new ATOM 0 HA ARG A 2 21.496 20.813 -14.858 1.00 16.92 H new ATOM 0 HB2 ARG A 2 21.105 23.759 -14.603 1.00 18.38 H new ATOM 0 HB3 ARG A 2 21.995 22.712 -13.515 1.00 18.38 H new ATOM 0 HG2 ARG A 2 23.677 23.679 -14.799 1.00 19.16 H new ATOM 0 HG3 ARG A 2 23.465 22.109 -15.549 1.00 19.16 H new ATOM 0 HD2 ARG A 2 23.759 24.033 -17.162 1.00 18.97 H new ATOM 0 HD3 ARG A 2 22.339 23.047 -17.448 1.00 18.97 H new ATOM 0 HE ARG A 2 20.957 24.783 -16.409 1.00 18.91 H new ATOM 0 HH11 ARG A 2 24.247 25.858 -17.252 1.00 21.30 H new ATOM 0 HH12 ARG A 2 23.783 27.563 -17.260 1.00 21.30 H new ATOM 0 HH21 ARG A 2 20.397 26.936 -16.419 1.00 20.10 H new ATOM 0 HH22 ARG A 2 21.603 28.173 -16.789 1.00 20.10 H new ATOM 46 N ILE A 3 19.760 21.293 -12.781 1.00 15.76 N ATOM 47 CA ILE A 3 18.690 21.035 -11.819 1.00 14.90 C ATOM 48 C ILE A 3 17.854 19.826 -12.288 1.00 13.35 C ATOM 49 O ILE A 3 16.772 19.990 -12.854 1.00 12.40 O ATOM 50 CB ILE A 3 17.861 22.313 -11.534 1.00 14.97 C ATOM 51 CG1 ILE A 3 18.680 23.433 -10.855 1.00 16.30 C ATOM 52 CG2 ILE A 3 16.704 22.010 -10.564 1.00 14.89 C ATOM 53 CD1 ILE A 3 19.772 24.077 -11.714 1.00 16.80 C ATOM 0 H ILE A 3 20.684 21.317 -12.351 1.00 15.76 H new ATOM 0 HA ILE A 3 19.118 20.765 -10.853 1.00 14.90 H new ATOM 0 HB ILE A 3 17.514 22.641 -12.514 1.00 14.97 H new ATOM 0 HG12 ILE A 3 17.992 24.214 -10.530 1.00 16.30 H new ATOM 0 HG13 ILE A 3 19.144 23.024 -9.958 1.00 16.30 H new ATOM 0 HG21 ILE A 3 16.136 22.922 -10.379 1.00 14.89 H new ATOM 0 HG22 ILE A 3 16.049 21.257 -11.003 1.00 14.89 H new ATOM 0 HG23 ILE A 3 17.107 21.636 -9.623 1.00 14.89 H new ATOM 0 HD11 ILE A 3 20.282 24.848 -11.137 1.00 16.80 H new ATOM 0 HD12 ILE A 3 20.491 23.317 -12.018 1.00 16.80 H new ATOM 0 HD13 ILE A 3 19.321 24.525 -12.600 1.00 16.80 H new ATOM 65 N PRO A 4 18.343 18.589 -12.085 1.00 13.35 N ATOM 66 CA PRO A 4 17.657 17.384 -12.529 1.00 12.26 C ATOM 67 C PRO A 4 16.485 17.073 -11.588 1.00 11.36 C ATOM 68 O PRO A 4 16.479 16.062 -10.891 1.00 11.92 O ATOM 69 CB PRO A 4 18.739 16.299 -12.539 1.00 13.24 C ATOM 70 CG PRO A 4 19.648 16.723 -11.387 1.00 14.51 C ATOM 71 CD PRO A 4 19.619 18.251 -11.469 1.00 14.75 C ATOM 0 HA PRO A 4 17.208 17.474 -13.518 1.00 12.26 H new ATOM 0 HB2 PRO A 4 18.319 15.306 -12.379 1.00 13.24 H new ATOM 0 HB3 PRO A 4 19.274 16.269 -13.488 1.00 13.24 H new ATOM 0 HG2 PRO A 4 19.277 16.363 -10.427 1.00 14.51 H new ATOM 0 HG3 PRO A 4 20.658 16.332 -11.505 1.00 14.51 H new ATOM 0 HD2 PRO A 4 19.706 18.698 -10.479 1.00 14.75 H new ATOM 0 HD3 PRO A 4 20.452 18.627 -12.063 1.00 14.75 H new ATOM 79 N CYS A 5 15.470 17.940 -11.599 1.00 10.30 N ATOM 80 CA CYS A 5 14.275 17.849 -10.763 1.00 9.76 C ATOM 81 C CYS A 5 13.101 17.359 -11.613 1.00 7.84 C ATOM 82 O CYS A 5 11.945 17.668 -11.356 1.00 7.45 O ATOM 83 CB CYS A 5 14.003 19.212 -10.117 1.00 10.82 C ATOM 84 SG CYS A 5 12.729 19.062 -8.836 1.00 11.64 S ATOM 0 H CYS A 5 15.459 18.754 -12.214 1.00 10.30 H new ATOM 0 HA CYS A 5 14.420 17.129 -9.958 1.00 9.76 H new ATOM 0 HB2 CYS A 5 14.922 19.605 -9.681 1.00 10.82 H new ATOM 0 HB3 CYS A 5 13.681 19.924 -10.877 1.00 10.82 H new ATOM 0 HG CYS A 5 11.721 18.388 -9.304 1.00 11.64 H new ATOM 90 N CYS A 6 13.410 16.583 -12.653 1.00 7.09 N ATOM 91 CA CYS A 6 12.425 15.912 -13.495 1.00 5.67 C ATOM 92 C CYS A 6 11.443 15.008 -12.721 1.00 4.83 C ATOM 93 O CYS A 6 10.238 15.115 -12.959 1.00 4.32 O ATOM 94 CB CYS A 6 13.132 15.160 -14.632 1.00 6.32 C ATOM 95 SG CYS A 6 11.950 14.083 -15.479 1.00 6.22 S ATOM 0 H CYS A 6 14.373 16.401 -12.937 1.00 7.09 H new ATOM 0 HA CYS A 6 11.794 16.691 -13.923 1.00 5.67 H new ATOM 0 HB2 CYS A 6 13.562 15.870 -15.338 1.00 6.32 H new ATOM 0 HB3 CYS A 6 13.956 14.569 -14.233 1.00 6.32 H new ATOM 0 HG CYS A 6 12.552 13.450 -16.442 1.00 6.22 H new ATOM 101 N PRO A 7 11.890 14.099 -11.833 1.00 4.92 N ATOM 102 CA PRO A 7 11.032 13.036 -11.314 1.00 4.30 C ATOM 103 C PRO A 7 10.087 13.519 -10.202 1.00 3.64 C ATOM 104 O PRO A 7 10.180 13.066 -9.062 1.00 3.99 O ATOM 105 CB PRO A 7 12.004 11.948 -10.839 1.00 5.15 C ATOM 106 CG PRO A 7 13.219 12.750 -10.386 1.00 5.98 C ATOM 107 CD PRO A 7 13.271 13.874 -11.418 1.00 5.92 C ATOM 0 HA PRO A 7 10.350 12.662 -12.077 1.00 4.30 H new ATOM 0 HB2 PRO A 7 11.583 11.358 -10.025 1.00 5.15 H new ATOM 0 HB3 PRO A 7 12.255 11.253 -11.640 1.00 5.15 H new ATOM 0 HG2 PRO A 7 13.098 13.134 -9.373 1.00 5.98 H new ATOM 0 HG3 PRO A 7 14.128 12.149 -10.393 1.00 5.98 H new ATOM 0 HD2 PRO A 7 13.702 14.778 -10.989 1.00 5.92 H new ATOM 0 HD3 PRO A 7 13.894 13.596 -12.268 1.00 5.92 H new ATOM 115 N VAL A 8 9.148 14.411 -10.538 1.00 2.95 N ATOM 116 CA VAL A 8 8.148 14.934 -9.612 1.00 2.56 C ATOM 117 C VAL A 8 6.863 14.106 -9.709 1.00 2.04 C ATOM 118 O VAL A 8 6.928 12.878 -9.682 1.00 2.94 O ATOM 119 CB VAL A 8 7.966 16.463 -9.774 1.00 2.80 C ATOM 120 CG1 VAL A 8 7.408 17.092 -8.486 1.00 3.85 C ATOM 121 CG2 VAL A 8 9.294 17.164 -10.079 1.00 3.08 C ATOM 0 H VAL A 8 9.064 14.794 -11.480 1.00 2.95 H new ATOM 0 HA VAL A 8 8.495 14.820 -8.585 1.00 2.56 H new ATOM 0 HB VAL A 8 7.272 16.598 -10.604 1.00 2.80 H new ATOM 0 HG11 VAL A 8 7.290 18.166 -8.627 1.00 3.85 H new ATOM 0 HG12 VAL A 8 6.440 16.648 -8.254 1.00 3.85 H new ATOM 0 HG13 VAL A 8 8.098 16.908 -7.663 1.00 3.85 H new ATOM 0 HG21 VAL A 8 9.124 18.235 -10.186 1.00 3.08 H new ATOM 0 HG22 VAL A 8 9.995 16.987 -9.263 1.00 3.08 H new ATOM 0 HG23 VAL A 8 9.710 16.769 -11.006 1.00 3.08 H new ATOM 131 N ASN A 9 5.695 14.751 -9.790 1.00 1.32 N ATOM 132 CA ASN A 9 4.354 14.177 -9.631 1.00 1.12 C ATOM 133 C ASN A 9 3.904 13.209 -10.740 1.00 0.94 C ATOM 134 O ASN A 9 2.710 13.093 -11.009 1.00 2.22 O ATOM 135 CB ASN A 9 3.340 15.315 -9.443 1.00 1.38 C ATOM 136 CG ASN A 9 3.219 16.189 -10.689 1.00 2.04 C ATOM 137 OD1 ASN A 9 3.813 17.260 -10.750 1.00 3.04 O ATOM 138 ND2 ASN A 9 2.480 15.732 -11.693 1.00 3.13 N ATOM 0 H ASN A 9 5.658 15.752 -9.981 1.00 1.32 H new ATOM 0 HA ASN A 9 4.403 13.545 -8.744 1.00 1.12 H new ATOM 0 HB2 ASN A 9 2.364 14.894 -9.200 1.00 1.38 H new ATOM 0 HB3 ASN A 9 3.641 15.932 -8.596 1.00 1.38 H new ATOM 0 HD21 ASN A 9 2.392 16.277 -12.551 1.00 3.13 H new ATOM 0 HD22 ASN A 9 2.000 14.836 -11.606 1.00 3.13 H new ATOM 145 N LEU A 10 4.843 12.481 -11.341 1.00 0.85 N ATOM 146 CA LEU A 10 4.645 11.256 -12.080 1.00 0.89 C ATOM 147 C LEU A 10 5.359 10.167 -11.273 1.00 0.76 C ATOM 148 O LEU A 10 4.741 9.218 -10.794 1.00 0.66 O ATOM 149 CB LEU A 10 5.245 11.447 -13.483 1.00 1.33 C ATOM 150 CG LEU A 10 4.662 10.510 -14.545 1.00 2.08 C ATOM 151 CD1 LEU A 10 4.818 9.034 -14.171 1.00 3.47 C ATOM 152 CD2 LEU A 10 3.195 10.860 -14.803 1.00 2.39 C ATOM 0 H LEU A 10 5.824 12.758 -11.317 1.00 0.85 H new ATOM 0 HA LEU A 10 3.599 10.981 -12.213 1.00 0.89 H new ATOM 0 HB2 LEU A 10 5.086 12.479 -13.797 1.00 1.33 H new ATOM 0 HB3 LEU A 10 6.323 11.293 -13.430 1.00 1.33 H new ATOM 0 HG LEU A 10 5.230 10.658 -15.463 1.00 2.08 H new ATOM 0 HD11 LEU A 10 4.389 8.412 -14.957 1.00 3.47 H new ATOM 0 HD12 LEU A 10 5.876 8.797 -14.058 1.00 3.47 H new ATOM 0 HD13 LEU A 10 4.301 8.840 -13.231 1.00 3.47 H new ATOM 0 HD21 LEU A 10 2.788 10.189 -15.559 1.00 2.39 H new ATOM 0 HD22 LEU A 10 2.627 10.752 -13.879 1.00 2.39 H new ATOM 0 HD23 LEU A 10 3.123 11.889 -15.155 1.00 2.39 H new ATOM 164 N LYS A 11 6.663 10.353 -11.042 1.00 0.80 N ATOM 165 CA LYS A 11 7.463 9.460 -10.222 1.00 0.78 C ATOM 166 C LYS A 11 6.857 9.367 -8.822 1.00 0.56 C ATOM 167 O LYS A 11 6.596 8.275 -8.320 1.00 0.57 O ATOM 168 CB LYS A 11 8.920 9.957 -10.174 1.00 0.94 C ATOM 169 CG LYS A 11 9.915 8.790 -10.289 1.00 1.65 C ATOM 170 CD LYS A 11 9.801 7.800 -9.117 1.00 2.90 C ATOM 171 CE LYS A 11 10.922 6.749 -9.123 1.00 3.48 C ATOM 172 NZ LYS A 11 10.855 5.847 -10.294 1.00 4.19 N ATOM 0 H LYS A 11 7.190 11.137 -11.426 1.00 0.80 H new ATOM 0 HA LYS A 11 7.464 8.461 -10.658 1.00 0.78 H new ATOM 0 HB2 LYS A 11 9.092 10.665 -10.985 1.00 0.94 H new ATOM 0 HB3 LYS A 11 9.092 10.494 -9.241 1.00 0.94 H new ATOM 0 HG2 LYS A 11 9.742 8.260 -11.226 1.00 1.65 H new ATOM 0 HG3 LYS A 11 10.930 9.185 -10.329 1.00 1.65 H new ATOM 0 HD2 LYS A 11 9.829 8.351 -8.177 1.00 2.90 H new ATOM 0 HD3 LYS A 11 8.835 7.297 -9.163 1.00 2.90 H new ATOM 0 HE2 LYS A 11 11.888 7.254 -9.114 1.00 3.48 H new ATOM 0 HE3 LYS A 11 10.864 6.157 -8.210 1.00 3.48 H new ATOM 0 HZ1 LYS A 11 11.634 5.159 -10.247 1.00 4.19 H new ATOM 0 HZ2 LYS A 11 9.946 5.342 -10.292 1.00 4.19 H new ATOM 0 HZ3 LYS A 11 10.938 6.405 -11.167 1.00 4.19 H new ATOM 186 N ARG A 12 6.614 10.517 -8.192 1.00 0.49 N ATOM 187 CA ARG A 12 6.034 10.557 -6.861 1.00 0.38 C ATOM 188 C ARG A 12 4.610 10.002 -6.859 1.00 0.28 C ATOM 189 O ARG A 12 4.170 9.445 -5.858 1.00 0.39 O ATOM 190 CB ARG A 12 6.071 11.987 -6.306 1.00 0.52 C ATOM 191 CG ARG A 12 7.492 12.550 -6.129 1.00 2.14 C ATOM 192 CD ARG A 12 8.378 11.737 -5.175 1.00 3.63 C ATOM 193 NE ARG A 12 7.722 11.511 -3.875 1.00 4.15 N ATOM 194 CZ ARG A 12 8.208 10.743 -2.886 1.00 5.70 C ATOM 195 NH1 ARG A 12 9.412 10.174 -3.017 1.00 6.93 N ATOM 196 NH2 ARG A 12 7.489 10.546 -1.775 1.00 6.46 N ATOM 0 H ARG A 12 6.813 11.435 -8.590 1.00 0.49 H new ATOM 0 HA ARG A 12 6.632 9.920 -6.210 1.00 0.38 H new ATOM 0 HB2 ARG A 12 5.512 12.641 -6.976 1.00 0.52 H new ATOM 0 HB3 ARG A 12 5.561 12.006 -5.343 1.00 0.52 H new ATOM 0 HG2 ARG A 12 7.976 12.597 -7.105 1.00 2.14 H new ATOM 0 HG3 ARG A 12 7.422 13.573 -5.758 1.00 2.14 H new ATOM 0 HD2 ARG A 12 8.618 10.777 -5.632 1.00 3.63 H new ATOM 0 HD3 ARG A 12 9.321 12.261 -5.020 1.00 3.63 H new ATOM 0 HE ARG A 12 6.828 11.975 -3.713 1.00 4.15 H new ATOM 0 HH11 ARG A 12 9.957 10.324 -3.866 1.00 6.93 H new ATOM 0 HH12 ARG A 12 9.784 9.590 -2.268 1.00 6.93 H new ATOM 0 HH21 ARG A 12 6.571 10.979 -1.678 1.00 6.46 H new ATOM 0 HH22 ARG A 12 7.859 9.963 -1.025 1.00 6.46 H new ATOM 210 N LEU A 13 3.917 10.079 -7.996 1.00 0.27 N ATOM 211 CA LEU A 13 2.615 9.458 -8.160 1.00 0.30 C ATOM 212 C LEU A 13 2.793 7.944 -8.056 1.00 0.24 C ATOM 213 O LEU A 13 2.135 7.287 -7.255 1.00 0.28 O ATOM 214 CB LEU A 13 1.970 9.893 -9.483 1.00 0.47 C ATOM 215 CG LEU A 13 0.436 9.998 -9.473 1.00 0.82 C ATOM 216 CD1 LEU A 13 -0.242 8.705 -9.010 1.00 1.77 C ATOM 217 CD2 LEU A 13 -0.056 11.191 -8.642 1.00 2.66 C ATOM 0 H LEU A 13 4.247 10.574 -8.824 1.00 0.27 H new ATOM 0 HA LEU A 13 1.931 9.780 -7.375 1.00 0.30 H new ATOM 0 HB2 LEU A 13 2.381 10.863 -9.765 1.00 0.47 H new ATOM 0 HB3 LEU A 13 2.263 9.185 -10.259 1.00 0.47 H new ATOM 0 HG LEU A 13 0.146 10.166 -10.510 1.00 0.82 H new ATOM 0 HD11 LEU A 13 -1.324 8.837 -9.023 1.00 1.77 H new ATOM 0 HD12 LEU A 13 0.032 7.890 -9.680 1.00 1.77 H new ATOM 0 HD13 LEU A 13 0.083 8.466 -7.997 1.00 1.77 H new ATOM 0 HD21 LEU A 13 -1.145 11.225 -8.664 1.00 2.66 H new ATOM 0 HD22 LEU A 13 0.283 11.081 -7.612 1.00 2.66 H new ATOM 0 HD23 LEU A 13 0.344 12.115 -9.059 1.00 2.66 H new ATOM 229 N LEU A 14 3.737 7.393 -8.824 1.00 0.23 N ATOM 230 CA LEU A 14 4.072 5.982 -8.762 1.00 0.27 C ATOM 231 C LEU A 14 4.442 5.562 -7.339 1.00 0.24 C ATOM 232 O LEU A 14 3.955 4.549 -6.845 1.00 0.27 O ATOM 233 CB LEU A 14 5.192 5.658 -9.761 1.00 0.36 C ATOM 234 CG LEU A 14 5.211 4.180 -10.185 1.00 0.56 C ATOM 235 CD1 LEU A 14 4.043 3.830 -11.117 1.00 1.77 C ATOM 236 CD2 LEU A 14 6.530 3.884 -10.909 1.00 1.87 C ATOM 0 H LEU A 14 4.286 7.919 -9.504 1.00 0.23 H new ATOM 0 HA LEU A 14 3.192 5.404 -9.044 1.00 0.27 H new ATOM 0 HB2 LEU A 14 5.073 6.283 -10.646 1.00 0.36 H new ATOM 0 HB3 LEU A 14 6.153 5.915 -9.316 1.00 0.36 H new ATOM 0 HG LEU A 14 5.114 3.574 -9.284 1.00 0.56 H new ATOM 0 HD11 LEU A 14 4.098 2.776 -11.390 1.00 1.77 H new ATOM 0 HD12 LEU A 14 3.100 4.024 -10.607 1.00 1.77 H new ATOM 0 HD13 LEU A 14 4.100 4.441 -12.018 1.00 1.77 H new ATOM 0 HD21 LEU A 14 6.551 2.837 -11.213 1.00 1.87 H new ATOM 0 HD22 LEU A 14 6.612 4.520 -11.791 1.00 1.87 H new ATOM 0 HD23 LEU A 14 7.366 4.084 -10.239 1.00 1.87 H new ATOM 248 N VAL A 15 5.279 6.356 -6.666 1.00 0.20 N ATOM 249 CA VAL A 15 5.603 6.113 -5.263 1.00 0.25 C ATOM 250 C VAL A 15 4.317 6.043 -4.433 1.00 0.25 C ATOM 251 O VAL A 15 4.132 5.090 -3.681 1.00 0.29 O ATOM 252 CB VAL A 15 6.595 7.157 -4.717 1.00 0.31 C ATOM 253 CG1 VAL A 15 6.816 6.986 -3.207 1.00 0.50 C ATOM 254 CG2 VAL A 15 7.957 7.028 -5.413 1.00 0.39 C ATOM 0 H VAL A 15 5.742 7.170 -7.071 1.00 0.20 H new ATOM 0 HA VAL A 15 6.106 5.149 -5.185 1.00 0.25 H new ATOM 0 HB VAL A 15 6.160 8.137 -4.914 1.00 0.31 H new ATOM 0 HG11 VAL A 15 7.521 7.739 -2.855 1.00 0.50 H new ATOM 0 HG12 VAL A 15 5.867 7.106 -2.685 1.00 0.50 H new ATOM 0 HG13 VAL A 15 7.217 5.992 -3.008 1.00 0.50 H new ATOM 0 HG21 VAL A 15 8.643 7.775 -5.012 1.00 0.39 H new ATOM 0 HG22 VAL A 15 8.363 6.032 -5.237 1.00 0.39 H new ATOM 0 HG23 VAL A 15 7.834 7.186 -6.485 1.00 0.39 H new ATOM 264 N VAL A 16 3.420 7.024 -4.566 1.00 0.26 N ATOM 265 CA VAL A 16 2.157 7.004 -3.841 1.00 0.32 C ATOM 266 C VAL A 16 1.390 5.717 -4.152 1.00 0.35 C ATOM 267 O VAL A 16 0.939 5.053 -3.224 1.00 0.38 O ATOM 268 CB VAL A 16 1.344 8.287 -4.103 1.00 0.35 C ATOM 269 CG1 VAL A 16 -0.107 8.161 -3.616 1.00 0.45 C ATOM 270 CG2 VAL A 16 1.989 9.472 -3.370 1.00 0.39 C ATOM 0 H VAL A 16 3.549 7.837 -5.168 1.00 0.26 H new ATOM 0 HA VAL A 16 2.356 6.998 -2.769 1.00 0.32 H new ATOM 0 HB VAL A 16 1.341 8.447 -5.181 1.00 0.35 H new ATOM 0 HG11 VAL A 16 -0.642 9.088 -3.821 1.00 0.45 H new ATOM 0 HG12 VAL A 16 -0.595 7.338 -4.137 1.00 0.45 H new ATOM 0 HG13 VAL A 16 -0.115 7.967 -2.543 1.00 0.45 H new ATOM 0 HG21 VAL A 16 1.410 10.376 -3.559 1.00 0.39 H new ATOM 0 HG22 VAL A 16 2.008 9.271 -2.299 1.00 0.39 H new ATOM 0 HG23 VAL A 16 3.008 9.612 -3.731 1.00 0.39 H new ATOM 280 N VAL A 17 1.265 5.328 -5.424 1.00 0.35 N ATOM 281 CA VAL A 17 0.605 4.089 -5.794 1.00 0.39 C ATOM 282 C VAL A 17 1.240 2.906 -5.051 1.00 0.38 C ATOM 283 O VAL A 17 0.541 2.125 -4.408 1.00 0.41 O ATOM 284 CB VAL A 17 0.607 3.921 -7.323 1.00 0.40 C ATOM 285 CG1 VAL A 17 0.117 2.530 -7.730 1.00 0.47 C ATOM 286 CG2 VAL A 17 -0.308 4.966 -7.976 1.00 0.45 C ATOM 0 H VAL A 17 1.619 5.865 -6.216 1.00 0.35 H new ATOM 0 HA VAL A 17 -0.441 4.121 -5.487 1.00 0.39 H new ATOM 0 HB VAL A 17 1.634 4.054 -7.662 1.00 0.40 H new ATOM 0 HG11 VAL A 17 0.130 2.443 -8.816 1.00 0.47 H new ATOM 0 HG12 VAL A 17 0.771 1.773 -7.297 1.00 0.47 H new ATOM 0 HG13 VAL A 17 -0.900 2.382 -7.367 1.00 0.47 H new ATOM 0 HG21 VAL A 17 -0.296 4.835 -9.058 1.00 0.45 H new ATOM 0 HG22 VAL A 17 -1.326 4.840 -7.606 1.00 0.45 H new ATOM 0 HG23 VAL A 17 0.047 5.966 -7.728 1.00 0.45 H new ATOM 296 N VAL A 18 2.567 2.779 -5.108 1.00 0.35 N ATOM 297 CA VAL A 18 3.285 1.729 -4.412 1.00 0.35 C ATOM 298 C VAL A 18 2.981 1.764 -2.911 1.00 0.34 C ATOM 299 O VAL A 18 2.720 0.721 -2.314 1.00 0.35 O ATOM 300 CB VAL A 18 4.791 1.805 -4.727 1.00 0.33 C ATOM 301 CG1 VAL A 18 5.613 0.855 -3.844 1.00 0.36 C ATOM 302 CG2 VAL A 18 5.045 1.432 -6.194 1.00 0.35 C ATOM 0 H VAL A 18 3.168 3.407 -5.641 1.00 0.35 H new ATOM 0 HA VAL A 18 2.939 0.760 -4.771 1.00 0.35 H new ATOM 0 HB VAL A 18 5.103 2.830 -4.529 1.00 0.33 H new ATOM 0 HG11 VAL A 18 6.669 0.942 -4.101 1.00 0.36 H new ATOM 0 HG12 VAL A 18 5.471 1.119 -2.796 1.00 0.36 H new ATOM 0 HG13 VAL A 18 5.283 -0.171 -4.008 1.00 0.36 H new ATOM 0 HG21 VAL A 18 6.113 1.489 -6.404 1.00 0.35 H new ATOM 0 HG22 VAL A 18 4.693 0.417 -6.377 1.00 0.35 H new ATOM 0 HG23 VAL A 18 4.510 2.125 -6.843 1.00 0.35 H new ATOM 312 N VAL A 19 2.991 2.949 -2.292 1.00 0.33 N ATOM 313 CA VAL A 19 2.699 3.080 -0.874 1.00 0.33 C ATOM 314 C VAL A 19 1.281 2.578 -0.609 1.00 0.35 C ATOM 315 O VAL A 19 1.076 1.782 0.300 1.00 0.34 O ATOM 316 CB VAL A 19 2.934 4.524 -0.393 1.00 0.32 C ATOM 317 CG1 VAL A 19 2.384 4.754 1.022 1.00 0.36 C ATOM 318 CG2 VAL A 19 4.438 4.832 -0.374 1.00 0.30 C ATOM 0 H VAL A 19 3.200 3.831 -2.760 1.00 0.33 H new ATOM 0 HA VAL A 19 3.383 2.463 -0.292 1.00 0.33 H new ATOM 0 HB VAL A 19 2.410 5.180 -1.088 1.00 0.32 H new ATOM 0 HG11 VAL A 19 2.571 5.785 1.322 1.00 0.36 H new ATOM 0 HG12 VAL A 19 1.311 4.562 1.031 1.00 0.36 H new ATOM 0 HG13 VAL A 19 2.879 4.078 1.719 1.00 0.36 H new ATOM 0 HG21 VAL A 19 4.596 5.855 -0.033 1.00 0.30 H new ATOM 0 HG22 VAL A 19 4.942 4.142 0.303 1.00 0.30 H new ATOM 0 HG23 VAL A 19 4.845 4.718 -1.378 1.00 0.30 H new ATOM 328 N VAL A 20 0.310 3.008 -1.416 1.00 0.38 N ATOM 329 CA VAL A 20 -1.067 2.557 -1.318 1.00 0.40 C ATOM 330 C VAL A 20 -1.127 1.027 -1.380 1.00 0.40 C ATOM 331 O VAL A 20 -1.737 0.400 -0.517 1.00 0.38 O ATOM 332 CB VAL A 20 -1.953 3.249 -2.372 1.00 0.44 C ATOM 333 CG1 VAL A 20 -3.348 2.613 -2.461 1.00 0.50 C ATOM 334 CG2 VAL A 20 -2.133 4.733 -2.026 1.00 0.45 C ATOM 0 H VAL A 20 0.466 3.686 -2.162 1.00 0.38 H new ATOM 0 HA VAL A 20 -1.475 2.849 -0.350 1.00 0.40 H new ATOM 0 HB VAL A 20 -1.446 3.132 -3.330 1.00 0.44 H new ATOM 0 HG11 VAL A 20 -3.937 3.133 -3.216 1.00 0.50 H new ATOM 0 HG12 VAL A 20 -3.252 1.562 -2.735 1.00 0.50 H new ATOM 0 HG13 VAL A 20 -3.846 2.692 -1.495 1.00 0.50 H new ATOM 0 HG21 VAL A 20 -2.761 5.209 -2.779 1.00 0.45 H new ATOM 0 HG22 VAL A 20 -2.607 4.824 -1.049 1.00 0.45 H new ATOM 0 HG23 VAL A 20 -1.159 5.222 -2.004 1.00 0.45 H new ATOM 344 N VAL A 21 -0.480 0.412 -2.372 1.00 0.41 N ATOM 345 CA VAL A 21 -0.439 -1.031 -2.515 1.00 0.41 C ATOM 346 C VAL A 21 0.151 -1.686 -1.261 1.00 0.36 C ATOM 347 O VAL A 21 -0.411 -2.649 -0.743 1.00 0.34 O ATOM 348 CB VAL A 21 0.354 -1.354 -3.789 1.00 0.46 C ATOM 349 CG1 VAL A 21 0.721 -2.832 -3.876 1.00 0.48 C ATOM 350 CG2 VAL A 21 -0.460 -0.981 -5.037 1.00 0.51 C ATOM 0 H VAL A 21 0.031 0.911 -3.100 1.00 0.41 H new ATOM 0 HA VAL A 21 -1.444 -1.442 -2.615 1.00 0.41 H new ATOM 0 HB VAL A 21 1.271 -0.767 -3.744 1.00 0.46 H new ATOM 0 HG11 VAL A 21 1.281 -3.014 -4.793 1.00 0.48 H new ATOM 0 HG12 VAL A 21 1.333 -3.106 -3.017 1.00 0.48 H new ATOM 0 HG13 VAL A 21 -0.188 -3.433 -3.881 1.00 0.48 H new ATOM 0 HG21 VAL A 21 0.117 -1.216 -5.931 1.00 0.51 H new ATOM 0 HG22 VAL A 21 -1.391 -1.547 -5.046 1.00 0.51 H new ATOM 0 HG23 VAL A 21 -0.684 0.086 -5.020 1.00 0.51 H new ATOM 360 N LEU A 22 1.274 -1.168 -0.760 1.00 0.35 N ATOM 361 CA LEU A 22 1.915 -1.665 0.442 1.00 0.32 C ATOM 362 C LEU A 22 0.938 -1.556 1.621 1.00 0.28 C ATOM 363 O LEU A 22 0.749 -2.518 2.361 1.00 0.26 O ATOM 364 CB LEU A 22 3.258 -0.919 0.593 1.00 0.34 C ATOM 365 CG LEU A 22 3.664 -0.555 2.019 1.00 0.34 C ATOM 366 CD1 LEU A 22 4.022 -1.790 2.855 1.00 0.40 C ATOM 367 CD2 LEU A 22 4.868 0.394 1.999 1.00 0.37 C ATOM 0 H LEU A 22 1.764 -0.382 -1.188 1.00 0.35 H new ATOM 0 HA LEU A 22 2.162 -2.726 0.398 1.00 0.32 H new ATOM 0 HB2 LEU A 22 4.045 -1.536 0.159 1.00 0.34 H new ATOM 0 HB3 LEU A 22 3.210 -0.003 0.005 1.00 0.34 H new ATOM 0 HG LEU A 22 2.803 -0.069 2.479 1.00 0.34 H new ATOM 0 HD11 LEU A 22 4.304 -1.479 3.861 1.00 0.40 H new ATOM 0 HD12 LEU A 22 3.160 -2.455 2.909 1.00 0.40 H new ATOM 0 HD13 LEU A 22 4.857 -2.315 2.390 1.00 0.40 H new ATOM 0 HD21 LEU A 22 5.149 0.647 3.021 1.00 0.37 H new ATOM 0 HD22 LEU A 22 5.707 -0.093 1.502 1.00 0.37 H new ATOM 0 HD23 LEU A 22 4.605 1.304 1.459 1.00 0.37 H new ATOM 379 N VAL A 23 0.276 -0.411 1.787 1.00 0.28 N ATOM 380 CA VAL A 23 -0.671 -0.172 2.847 1.00 0.27 C ATOM 381 C VAL A 23 -1.842 -1.145 2.727 1.00 0.25 C ATOM 382 O VAL A 23 -2.287 -1.691 3.733 1.00 0.23 O ATOM 383 CB VAL A 23 -1.066 1.311 2.787 1.00 0.31 C ATOM 384 CG1 VAL A 23 -2.358 1.585 3.540 1.00 0.35 C ATOM 385 CG2 VAL A 23 0.057 2.177 3.375 1.00 0.33 C ATOM 0 H VAL A 23 0.395 0.389 1.166 1.00 0.28 H new ATOM 0 HA VAL A 23 -0.247 -0.360 3.833 1.00 0.27 H new ATOM 0 HB VAL A 23 -1.225 1.564 1.739 1.00 0.31 H new ATOM 0 HG11 VAL A 23 -2.601 2.645 3.472 1.00 0.35 H new ATOM 0 HG12 VAL A 23 -3.166 0.999 3.102 1.00 0.35 H new ATOM 0 HG13 VAL A 23 -2.235 1.307 4.587 1.00 0.35 H new ATOM 0 HG21 VAL A 23 -0.231 3.227 3.329 1.00 0.33 H new ATOM 0 HG22 VAL A 23 0.229 1.894 4.413 1.00 0.33 H new ATOM 0 HG23 VAL A 23 0.971 2.026 2.801 1.00 0.33 H new ATOM 395 N VAL A 24 -2.328 -1.413 1.515 1.00 0.28 N ATOM 396 CA VAL A 24 -3.351 -2.386 1.281 1.00 0.27 C ATOM 397 C VAL A 24 -2.852 -3.771 1.694 1.00 0.23 C ATOM 398 O VAL A 24 -3.542 -4.466 2.431 1.00 0.19 O ATOM 399 CB VAL A 24 -3.772 -2.243 -0.188 1.00 0.34 C ATOM 400 CG1 VAL A 24 -4.414 -3.511 -0.712 1.00 0.36 C ATOM 401 CG2 VAL A 24 -4.735 -1.059 -0.351 1.00 0.39 C ATOM 0 H VAL A 24 -2.006 -0.944 0.668 1.00 0.28 H new ATOM 0 HA VAL A 24 -4.242 -2.232 1.889 1.00 0.27 H new ATOM 0 HB VAL A 24 -2.871 -2.059 -0.773 1.00 0.34 H new ATOM 0 HG11 VAL A 24 -4.698 -3.371 -1.755 1.00 0.36 H new ATOM 0 HG12 VAL A 24 -3.705 -4.336 -0.637 1.00 0.36 H new ATOM 0 HG13 VAL A 24 -5.301 -3.740 -0.122 1.00 0.36 H new ATOM 0 HG21 VAL A 24 -5.026 -0.968 -1.397 1.00 0.39 H new ATOM 0 HG22 VAL A 24 -5.623 -1.225 0.260 1.00 0.39 H new ATOM 0 HG23 VAL A 24 -4.241 -0.142 -0.031 1.00 0.39 H new ATOM 411 N VAL A 25 -1.649 -4.177 1.284 1.00 0.26 N ATOM 412 CA VAL A 25 -1.049 -5.413 1.741 1.00 0.26 C ATOM 413 C VAL A 25 -0.960 -5.461 3.267 1.00 0.21 C ATOM 414 O VAL A 25 -1.218 -6.505 3.861 1.00 0.21 O ATOM 415 CB VAL A 25 0.294 -5.625 1.022 1.00 0.32 C ATOM 416 CG1 VAL A 25 1.372 -6.276 1.890 1.00 0.33 C ATOM 417 CG2 VAL A 25 0.027 -6.504 -0.200 1.00 0.39 C ATOM 0 H VAL A 25 -1.071 -3.653 0.627 1.00 0.26 H new ATOM 0 HA VAL A 25 -1.686 -6.257 1.476 1.00 0.26 H new ATOM 0 HB VAL A 25 0.684 -4.643 0.754 1.00 0.32 H new ATOM 0 HG11 VAL A 25 2.287 -6.390 1.309 1.00 0.33 H new ATOM 0 HG12 VAL A 25 1.569 -5.647 2.758 1.00 0.33 H new ATOM 0 HG13 VAL A 25 1.029 -7.256 2.223 1.00 0.33 H new ATOM 0 HG21 VAL A 25 0.961 -6.676 -0.736 1.00 0.39 H new ATOM 0 HG22 VAL A 25 -0.387 -7.459 0.122 1.00 0.39 H new ATOM 0 HG23 VAL A 25 -0.683 -6.005 -0.859 1.00 0.39 H new ATOM 427 N VAL A 26 -0.623 -4.344 3.909 1.00 0.21 N ATOM 428 CA VAL A 26 -0.551 -4.278 5.361 1.00 0.22 C ATOM 429 C VAL A 26 -1.953 -4.497 5.926 1.00 0.19 C ATOM 430 O VAL A 26 -2.117 -5.277 6.858 1.00 0.21 O ATOM 431 CB VAL A 26 0.103 -2.966 5.819 1.00 0.26 C ATOM 432 CG1 VAL A 26 -0.284 -2.552 7.246 1.00 0.30 C ATOM 433 CG2 VAL A 26 1.628 -3.065 5.695 1.00 0.30 C ATOM 0 H VAL A 26 -0.395 -3.468 3.439 1.00 0.21 H new ATOM 0 HA VAL A 26 0.091 -5.067 5.752 1.00 0.22 H new ATOM 0 HB VAL A 26 -0.277 -2.187 5.158 1.00 0.26 H new ATOM 0 HG11 VAL A 26 0.215 -1.617 7.502 1.00 0.30 H new ATOM 0 HG12 VAL A 26 -1.364 -2.415 7.305 1.00 0.30 H new ATOM 0 HG13 VAL A 26 0.022 -3.330 7.946 1.00 0.30 H new ATOM 0 HG21 VAL A 26 2.081 -2.129 6.022 1.00 0.30 H new ATOM 0 HG22 VAL A 26 1.991 -3.882 6.318 1.00 0.30 H new ATOM 0 HG23 VAL A 26 1.897 -3.254 4.656 1.00 0.30 H new ATOM 443 N ILE A 27 -2.970 -3.844 5.355 1.00 0.19 N ATOM 444 CA ILE A 27 -4.345 -3.992 5.784 1.00 0.19 C ATOM 445 C ILE A 27 -4.755 -5.460 5.624 1.00 0.16 C ATOM 446 O ILE A 27 -5.390 -6.031 6.505 1.00 0.17 O ATOM 447 CB ILE A 27 -5.235 -3.012 4.999 1.00 0.22 C ATOM 448 CG1 ILE A 27 -5.173 -1.635 5.684 1.00 0.30 C ATOM 449 CG2 ILE A 27 -6.698 -3.478 4.922 1.00 0.23 C ATOM 450 CD1 ILE A 27 -5.597 -0.497 4.750 1.00 0.35 C ATOM 0 H ILE A 27 -2.851 -3.195 4.577 1.00 0.19 H new ATOM 0 HA ILE A 27 -4.465 -3.739 6.837 1.00 0.19 H new ATOM 0 HB ILE A 27 -4.859 -2.961 3.977 1.00 0.22 H new ATOM 0 HG12 ILE A 27 -5.819 -1.640 6.562 1.00 0.30 H new ATOM 0 HG13 ILE A 27 -4.158 -1.453 6.036 1.00 0.30 H new ATOM 0 HG21 ILE A 27 -7.282 -2.751 4.358 1.00 0.23 H new ATOM 0 HG22 ILE A 27 -6.746 -4.447 4.424 1.00 0.23 H new ATOM 0 HG23 ILE A 27 -7.105 -3.567 5.929 1.00 0.23 H new ATOM 0 HD11 ILE A 27 -5.535 0.452 5.282 1.00 0.35 H new ATOM 0 HD12 ILE A 27 -4.935 -0.471 3.884 1.00 0.35 H new ATOM 0 HD13 ILE A 27 -6.622 -0.661 4.419 1.00 0.35 H new ATOM 462 N VAL A 28 -4.378 -6.087 4.506 1.00 0.15 N ATOM 463 CA VAL A 28 -4.707 -7.477 4.242 1.00 0.18 C ATOM 464 C VAL A 28 -4.042 -8.363 5.297 1.00 0.18 C ATOM 465 O VAL A 28 -4.714 -9.160 5.947 1.00 0.23 O ATOM 466 CB VAL A 28 -4.322 -7.843 2.799 1.00 0.23 C ATOM 467 CG1 VAL A 28 -4.338 -9.357 2.572 1.00 0.27 C ATOM 468 CG2 VAL A 28 -5.301 -7.195 1.810 1.00 0.26 C ATOM 0 H VAL A 28 -3.838 -5.641 3.765 1.00 0.15 H new ATOM 0 HA VAL A 28 -5.782 -7.642 4.321 1.00 0.18 H new ATOM 0 HB VAL A 28 -3.310 -7.473 2.635 1.00 0.23 H new ATOM 0 HG11 VAL A 28 -4.060 -9.573 1.540 1.00 0.27 H new ATOM 0 HG12 VAL A 28 -3.627 -9.834 3.247 1.00 0.27 H new ATOM 0 HG13 VAL A 28 -5.338 -9.744 2.767 1.00 0.27 H new ATOM 0 HG21 VAL A 28 -5.019 -7.461 0.791 1.00 0.26 H new ATOM 0 HG22 VAL A 28 -6.311 -7.552 2.011 1.00 0.26 H new ATOM 0 HG23 VAL A 28 -5.269 -6.111 1.924 1.00 0.26 H new ATOM 478 N GLY A 29 -2.730 -8.217 5.490 1.00 0.18 N ATOM 479 CA GLY A 29 -2.011 -8.943 6.527 1.00 0.22 C ATOM 480 C GLY A 29 -2.663 -8.757 7.898 1.00 0.23 C ATOM 481 O GLY A 29 -2.878 -9.729 8.619 1.00 0.32 O ATOM 0 H GLY A 29 -2.143 -7.595 4.934 1.00 0.18 H new ATOM 0 HA2 GLY A 29 -1.983 -10.004 6.277 1.00 0.22 H new ATOM 0 HA3 GLY A 29 -0.978 -8.597 6.565 1.00 0.22 H new ATOM 485 N ALA A 30 -2.999 -7.515 8.246 1.00 0.21 N ATOM 486 CA ALA A 30 -3.674 -7.187 9.493 1.00 0.28 C ATOM 487 C ALA A 30 -4.995 -7.950 9.601 1.00 0.35 C ATOM 488 O ALA A 30 -5.238 -8.626 10.597 1.00 0.55 O ATOM 489 CB ALA A 30 -3.878 -5.673 9.605 1.00 0.32 C ATOM 0 H ALA A 30 -2.806 -6.702 7.661 1.00 0.21 H new ATOM 0 HA ALA A 30 -3.048 -7.497 10.330 1.00 0.28 H new ATOM 0 HB1 ALA A 30 -4.384 -5.442 10.543 1.00 0.32 H new ATOM 0 HB2 ALA A 30 -2.910 -5.173 9.583 1.00 0.32 H new ATOM 0 HB3 ALA A 30 -4.486 -5.325 8.770 1.00 0.32 H new ATOM 495 N LEU A 31 -5.821 -7.916 8.553 1.00 0.27 N ATOM 496 CA LEU A 31 -7.085 -8.605 8.508 1.00 0.33 C ATOM 497 C LEU A 31 -6.848 -10.109 8.709 1.00 0.39 C ATOM 498 O LEU A 31 -7.540 -10.737 9.506 1.00 0.55 O ATOM 499 CB LEU A 31 -7.761 -8.185 7.191 1.00 0.30 C ATOM 500 CG LEU A 31 -8.797 -9.181 6.701 1.00 0.41 C ATOM 501 CD1 LEU A 31 -10.002 -9.294 7.643 1.00 0.50 C ATOM 502 CD2 LEU A 31 -9.268 -8.815 5.290 1.00 0.44 C ATOM 0 H LEU A 31 -5.613 -7.394 7.701 1.00 0.27 H new ATOM 0 HA LEU A 31 -7.772 -8.341 9.312 1.00 0.33 H new ATOM 0 HB2 LEU A 31 -8.238 -7.215 7.329 1.00 0.30 H new ATOM 0 HB3 LEU A 31 -6.998 -8.059 6.423 1.00 0.30 H new ATOM 0 HG LEU A 31 -8.309 -10.156 6.682 1.00 0.41 H new ATOM 0 HD11 LEU A 31 -10.710 -10.020 7.243 1.00 0.50 H new ATOM 0 HD12 LEU A 31 -9.665 -9.620 8.627 1.00 0.50 H new ATOM 0 HD13 LEU A 31 -10.488 -8.322 7.730 1.00 0.50 H new ATOM 0 HD21 LEU A 31 -10.010 -9.539 4.955 1.00 0.44 H new ATOM 0 HD22 LEU A 31 -9.712 -7.820 5.301 1.00 0.44 H new ATOM 0 HD23 LEU A 31 -8.417 -8.825 4.608 1.00 0.44 H new ATOM 514 N LEU A 32 -5.864 -10.694 8.016 1.00 0.34 N ATOM 515 CA LEU A 32 -5.550 -12.112 8.164 1.00 0.44 C ATOM 516 C LEU A 32 -5.115 -12.436 9.598 1.00 0.41 C ATOM 517 O LEU A 32 -5.525 -13.455 10.149 1.00 0.48 O ATOM 518 CB LEU A 32 -4.478 -12.532 7.148 1.00 0.59 C ATOM 519 CG LEU A 32 -4.967 -12.495 5.688 1.00 0.90 C ATOM 520 CD1 LEU A 32 -3.763 -12.625 4.748 1.00 1.63 C ATOM 521 CD2 LEU A 32 -5.959 -13.626 5.386 1.00 1.53 C ATOM 0 H LEU A 32 -5.272 -10.202 7.346 1.00 0.34 H new ATOM 0 HA LEU A 32 -6.454 -12.686 7.961 1.00 0.44 H new ATOM 0 HB2 LEU A 32 -3.614 -11.875 7.250 1.00 0.59 H new ATOM 0 HB3 LEU A 32 -4.140 -13.541 7.384 1.00 0.59 H new ATOM 0 HG LEU A 32 -5.479 -11.545 5.533 1.00 0.90 H new ATOM 0 HD11 LEU A 32 -4.105 -12.599 3.713 1.00 1.63 H new ATOM 0 HD12 LEU A 32 -3.074 -11.799 4.923 1.00 1.63 H new ATOM 0 HD13 LEU A 32 -3.253 -13.569 4.938 1.00 1.63 H new ATOM 0 HD21 LEU A 32 -6.278 -13.562 4.346 1.00 1.53 H new ATOM 0 HD22 LEU A 32 -5.477 -14.588 5.559 1.00 1.53 H new ATOM 0 HD23 LEU A 32 -6.827 -13.532 6.038 1.00 1.53 H new ATOM 533 N MET A 33 -4.283 -11.583 10.203 1.00 0.36 N ATOM 534 CA MET A 33 -3.857 -11.735 11.590 1.00 0.43 C ATOM 535 C MET A 33 -5.052 -11.613 12.544 1.00 0.47 C ATOM 536 O MET A 33 -5.115 -12.311 13.554 1.00 0.66 O ATOM 537 CB MET A 33 -2.776 -10.686 11.899 1.00 0.52 C ATOM 538 CG MET A 33 -2.222 -10.794 13.327 1.00 1.68 C ATOM 539 SD MET A 33 -1.494 -12.385 13.807 1.00 3.36 S ATOM 540 CE MET A 33 -0.124 -12.513 12.638 1.00 3.70 C ATOM 0 H MET A 33 -3.887 -10.766 9.739 1.00 0.36 H new ATOM 0 HA MET A 33 -3.435 -12.729 11.737 1.00 0.43 H new ATOM 0 HB2 MET A 33 -1.957 -10.797 11.189 1.00 0.52 H new ATOM 0 HB3 MET A 33 -3.193 -9.690 11.752 1.00 0.52 H new ATOM 0 HG2 MET A 33 -1.464 -10.021 13.456 1.00 1.68 H new ATOM 0 HG3 MET A 33 -3.030 -10.567 14.022 1.00 1.68 H new ATOM 0 HE1 MET A 33 0.470 -13.398 12.869 1.00 3.70 H new ATOM 0 HE2 MET A 33 -0.517 -12.594 11.624 1.00 3.70 H new ATOM 0 HE3 MET A 33 0.503 -11.625 12.714 1.00 3.70 H new ATOM 550 N GLY A 34 -5.974 -10.699 12.235 1.00 0.46 N ATOM 551 CA GLY A 34 -7.100 -10.320 13.064 1.00 0.65 C ATOM 552 C GLY A 34 -6.800 -8.995 13.761 1.00 2.17 C ATOM 553 O GLY A 34 -6.826 -8.917 14.988 1.00 3.05 O ATOM 0 H GLY A 34 -5.947 -10.183 11.356 1.00 0.46 H new ATOM 0 HA2 GLY A 34 -7.998 -10.226 12.454 1.00 0.65 H new ATOM 0 HA3 GLY A 34 -7.297 -11.095 13.804 1.00 0.65 H new ATOM 557 N LEU A 35 -6.509 -7.959 12.973 1.00 3.08 N ATOM 558 CA LEU A 35 -6.228 -6.605 13.410 1.00 4.96 C ATOM 559 C LEU A 35 -6.717 -5.681 12.294 1.00 5.75 C ATOM 560 O LEU A 35 -6.827 -6.159 11.164 1.00 5.91 O ATOM 561 CB LEU A 35 -4.715 -6.468 13.647 1.00 6.33 C ATOM 562 CG LEU A 35 -4.249 -5.042 13.988 1.00 7.69 C ATOM 563 CD1 LEU A 35 -4.881 -4.530 15.288 1.00 8.52 C ATOM 564 CD2 LEU A 35 -2.722 -5.032 14.125 1.00 8.99 C ATOM 565 OXT LEU A 35 -7.115 -4.559 12.595 1.00 6.79 O ATOM 0 H LEU A 35 -6.462 -8.055 11.959 1.00 3.08 H new ATOM 0 HA LEU A 35 -6.729 -6.349 14.344 1.00 4.96 H new ATOM 0 HB2 LEU A 35 -4.425 -7.135 14.459 1.00 6.33 H new ATOM 0 HB3 LEU A 35 -4.188 -6.805 12.754 1.00 6.33 H new ATOM 0 HG LEU A 35 -4.566 -4.381 13.181 1.00 7.69 H new ATOM 0 HD11 LEU A 35 -4.526 -3.520 15.492 1.00 8.52 H new ATOM 0 HD12 LEU A 35 -5.966 -4.519 15.185 1.00 8.52 H new ATOM 0 HD13 LEU A 35 -4.601 -5.187 16.112 1.00 8.52 H new ATOM 0 HD21 LEU A 35 -2.385 -4.024 14.367 1.00 8.99 H new ATOM 0 HD22 LEU A 35 -2.424 -5.715 14.920 1.00 8.99 H new ATOM 0 HD23 LEU A 35 -2.270 -5.350 13.185 1.00 8.99 H new TER 577 LEU A 35