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+ 150:sc= -0.795 (180deg=-1.87!) USER MOD Single : A 5 CYS SG : rot 180:sc= -0.0232 USER MOD Single : A 6 CYS SG : rot -62:sc= 0.779 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0323) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -2.833 8.179 -21.083 1.00 21.05 N ATOM 2 CA LEU A 1 -3.192 8.127 -19.647 1.00 20.71 C ATOM 3 C LEU A 1 -1.984 8.096 -18.701 1.00 19.80 C ATOM 4 O LEU A 1 -2.135 7.807 -17.519 1.00 20.55 O ATOM 5 CB LEU A 1 -4.187 6.988 -19.352 1.00 21.87 C ATOM 6 CG LEU A 1 -3.596 5.567 -19.241 1.00 22.24 C ATOM 7 CD1 LEU A 1 -4.742 4.582 -18.984 1.00 23.78 C ATOM 8 CD2 LEU A 1 -2.818 5.113 -20.482 1.00 21.80 C ATOM 0 H1 LEU A 1 -3.571 7.707 -21.643 1.00 21.05 H new ATOM 0 H2 LEU A 1 -2.751 9.171 -21.385 1.00 21.05 H new ATOM 0 H3 LEU A 1 -1.924 7.696 -21.231 1.00 21.05 H new ATOM 0 HA LEU A 1 -3.693 9.072 -19.436 1.00 20.71 H new ATOM 0 HB2 LEU A 1 -4.701 7.217 -18.418 1.00 21.87 H new ATOM 0 HB3 LEU A 1 -4.942 6.983 -20.138 1.00 21.87 H new ATOM 0 HG LEU A 1 -2.879 5.587 -18.420 1.00 22.24 H new ATOM 0 HD11 LEU A 1 -4.342 3.571 -18.903 1.00 23.78 H new ATOM 0 HD12 LEU A 1 -5.249 4.847 -18.056 1.00 23.78 H new ATOM 0 HD13 LEU A 1 -5.452 4.626 -19.810 1.00 23.78 H new ATOM 0 HD21 LEU A 1 -2.436 4.105 -20.323 1.00 21.80 H new ATOM 0 HD22 LEU A 1 -3.480 5.118 -21.348 1.00 21.80 H new ATOM 0 HD23 LEU A 1 -1.985 5.793 -20.658 1.00 21.80 H new ATOM 22 N ARG A 2 -0.793 8.408 -19.210 1.00 18.37 N ATOM 23 CA ARG A 2 0.440 8.583 -18.458 1.00 17.42 C ATOM 24 C ARG A 2 1.273 9.569 -19.282 1.00 15.48 C ATOM 25 O ARG A 2 0.878 9.872 -20.408 1.00 15.25 O ATOM 26 CB ARG A 2 1.182 7.245 -18.281 1.00 18.23 C ATOM 27 CG ARG A 2 0.484 6.290 -17.303 1.00 19.67 C ATOM 28 CD ARG A 2 1.391 5.106 -16.939 1.00 20.42 C ATOM 29 NE ARG A 2 1.687 4.248 -18.100 1.00 20.92 N ATOM 30 CZ ARG A 2 0.898 3.263 -18.564 1.00 22.24 C ATOM 31 NH1 ARG A 2 -0.302 3.052 -18.011 1.00 23.10 N ATOM 32 NH2 ARG A 2 1.312 2.497 -19.579 1.00 22.87 N ATOM 0 H ARG A 2 -0.660 8.552 -20.211 1.00 18.37 H new ATOM 0 HA ARG A 2 0.249 8.953 -17.451 1.00 17.42 H new ATOM 0 HB2 ARG A 2 1.274 6.757 -19.251 1.00 18.23 H new ATOM 0 HB3 ARG A 2 2.194 7.442 -17.926 1.00 18.23 H new ATOM 0 HG2 ARG A 2 0.207 6.831 -16.398 1.00 19.67 H new ATOM 0 HG3 ARG A 2 -0.440 5.920 -17.749 1.00 19.67 H new ATOM 0 HD2 ARG A 2 2.325 5.482 -16.521 1.00 20.42 H new ATOM 0 HD3 ARG A 2 0.912 4.510 -16.163 1.00 20.42 H new ATOM 0 HE ARG A 2 2.564 4.415 -18.593 1.00 20.92 H new ATOM 0 HH11 ARG A 2 -0.618 3.638 -17.238 1.00 23.10 H new ATOM 0 HH12 ARG A 2 -0.901 2.305 -18.362 1.00 23.10 H new ATOM 0 HH21 ARG A 2 2.226 2.660 -20.001 1.00 22.87 H new ATOM 0 HH22 ARG A 2 0.714 1.750 -19.931 1.00 22.87 H new ATOM 46 N ILE A 3 2.391 10.047 -18.728 1.00 14.33 N ATOM 47 CA ILE A 3 3.303 11.003 -19.351 1.00 12.64 C ATOM 48 C ILE A 3 2.548 12.194 -19.974 1.00 11.90 C ATOM 49 O ILE A 3 2.439 12.290 -21.195 1.00 12.05 O ATOM 50 CB ILE A 3 4.257 10.298 -20.340 1.00 12.93 C ATOM 51 CG1 ILE A 3 4.940 9.067 -19.710 1.00 13.97 C ATOM 52 CG2 ILE A 3 5.359 11.265 -20.806 1.00 12.06 C ATOM 53 CD1 ILE A 3 4.346 7.759 -20.238 1.00 15.54 C ATOM 0 H ILE A 3 2.695 9.766 -17.796 1.00 14.33 H new ATOM 0 HA ILE A 3 3.931 11.431 -18.569 1.00 12.64 H new ATOM 0 HB ILE A 3 3.646 9.974 -21.182 1.00 12.93 H new ATOM 0 HG12 ILE A 3 6.008 9.094 -19.924 1.00 13.97 H new ATOM 0 HG13 ILE A 3 4.831 9.105 -18.626 1.00 13.97 H new ATOM 0 HG21 ILE A 3 6.022 10.752 -21.502 1.00 12.06 H new ATOM 0 HG22 ILE A 3 4.905 12.122 -21.302 1.00 12.06 H new ATOM 0 HG23 ILE A 3 5.932 11.607 -19.944 1.00 12.06 H new ATOM 0 HD11 ILE A 3 4.853 6.915 -19.771 1.00 15.54 H new ATOM 0 HD12 ILE A 3 3.283 7.720 -20.001 1.00 15.54 H new ATOM 0 HD13 ILE A 3 4.479 7.709 -21.319 1.00 15.54 H new ATOM 65 N PRO A 4 2.039 13.124 -19.147 1.00 11.53 N ATOM 66 CA PRO A 4 1.605 14.428 -19.620 1.00 11.06 C ATOM 67 C PRO A 4 2.861 15.274 -19.903 1.00 9.75 C ATOM 68 O PRO A 4 3.937 14.730 -20.146 1.00 9.20 O ATOM 69 CB PRO A 4 0.730 14.956 -18.475 1.00 11.78 C ATOM 70 CG PRO A 4 1.423 14.405 -17.230 1.00 11.86 C ATOM 71 CD PRO A 4 1.949 13.044 -17.695 1.00 12.02 C ATOM 0 HA PRO A 4 1.036 14.432 -20.550 1.00 11.06 H new ATOM 0 HB2 PRO A 4 0.691 16.045 -18.466 1.00 11.78 H new ATOM 0 HB3 PRO A 4 -0.297 14.601 -18.555 1.00 11.78 H new ATOM 0 HG2 PRO A 4 2.231 15.057 -16.897 1.00 11.86 H new ATOM 0 HG3 PRO A 4 0.730 14.305 -16.395 1.00 11.86 H new ATOM 0 HD2 PRO A 4 2.923 12.831 -17.255 1.00 12.02 H new ATOM 0 HD3 PRO A 4 1.278 12.241 -17.389 1.00 12.02 H new ATOM 79 N CYS A 5 2.773 16.602 -19.790 1.00 9.61 N ATOM 80 CA CYS A 5 3.893 17.513 -20.032 1.00 8.98 C ATOM 81 C CYS A 5 4.450 18.004 -18.694 1.00 7.81 C ATOM 82 O CYS A 5 5.035 19.081 -18.606 1.00 7.84 O ATOM 83 CB CYS A 5 3.426 18.687 -20.904 1.00 10.32 C ATOM 84 SG CYS A 5 2.361 19.796 -19.944 1.00 11.49 S ATOM 0 H CYS A 5 1.912 17.080 -19.525 1.00 9.61 H new ATOM 0 HA CYS A 5 4.688 16.991 -20.564 1.00 8.98 H new ATOM 0 HB2 CYS A 5 4.289 19.236 -21.280 1.00 10.32 H new ATOM 0 HB3 CYS A 5 2.884 18.312 -21.772 1.00 10.32 H new ATOM 0 HG CYS A 5 1.976 20.785 -20.695 1.00 11.49 H new ATOM 90 N CYS A 6 4.269 17.191 -17.651 1.00 7.22 N ATOM 91 CA CYS A 6 4.799 17.406 -16.313 1.00 6.41 C ATOM 92 C CYS A 6 5.170 16.048 -15.712 1.00 5.11 C ATOM 93 O CYS A 6 4.305 15.394 -15.131 1.00 4.88 O ATOM 94 CB CYS A 6 3.764 18.129 -15.446 1.00 7.83 C ATOM 95 SG CYS A 6 4.398 18.190 -13.752 1.00 7.74 S ATOM 0 H CYS A 6 3.726 16.331 -17.724 1.00 7.22 H new ATOM 0 HA CYS A 6 5.689 18.034 -16.357 1.00 6.41 H new ATOM 0 HB2 CYS A 6 3.588 19.136 -15.823 1.00 7.83 H new ATOM 0 HB3 CYS A 6 2.809 17.605 -15.477 1.00 7.83 H new ATOM 0 HG CYS A 6 4.547 16.980 -13.300 1.00 7.74 H new ATOM 101 N PRO A 7 6.421 15.582 -15.860 1.00 4.56 N ATOM 102 CA PRO A 7 6.848 14.303 -15.309 1.00 3.60 C ATOM 103 C PRO A 7 6.976 14.379 -13.784 1.00 2.96 C ATOM 104 O PRO A 7 6.742 13.392 -13.083 1.00 3.33 O ATOM 105 CB PRO A 7 8.186 13.999 -15.987 1.00 3.98 C ATOM 106 CG PRO A 7 8.755 15.385 -16.294 1.00 4.87 C ATOM 107 CD PRO A 7 7.507 16.220 -16.591 1.00 5.28 C ATOM 0 HA PRO A 7 6.125 13.510 -15.498 1.00 3.60 H new ATOM 0 HB2 PRO A 7 8.847 13.430 -15.333 1.00 3.98 H new ATOM 0 HB3 PRO A 7 8.051 13.411 -16.895 1.00 3.98 H new ATOM 0 HG2 PRO A 7 9.316 15.786 -15.449 1.00 4.87 H new ATOM 0 HG3 PRO A 7 9.435 15.361 -17.145 1.00 4.87 H new ATOM 0 HD2 PRO A 7 7.642 17.253 -16.269 1.00 5.28 H new ATOM 0 HD3 PRO A 7 7.298 16.244 -17.660 1.00 5.28 H new ATOM 115 N VAL A 8 7.343 15.555 -13.261 1.00 2.38 N ATOM 116 CA VAL A 8 7.379 15.789 -11.826 1.00 1.89 C ATOM 117 C VAL A 8 5.978 15.547 -11.263 1.00 1.82 C ATOM 118 O VAL A 8 4.979 15.683 -11.968 1.00 3.00 O ATOM 119 CB VAL A 8 7.876 17.207 -11.490 1.00 2.25 C ATOM 120 CG1 VAL A 8 8.308 17.315 -10.020 1.00 2.94 C ATOM 121 CG2 VAL A 8 9.060 17.637 -12.371 1.00 2.88 C ATOM 0 H VAL A 8 7.620 16.361 -13.822 1.00 2.38 H new ATOM 0 HA VAL A 8 8.087 15.099 -11.367 1.00 1.89 H new ATOM 0 HB VAL A 8 7.031 17.869 -11.682 1.00 2.25 H new ATOM 0 HG11 VAL A 8 8.653 18.328 -9.816 1.00 2.94 H new ATOM 0 HG12 VAL A 8 7.461 17.083 -9.374 1.00 2.94 H new ATOM 0 HG13 VAL A 8 9.116 16.610 -9.826 1.00 2.94 H new ATOM 0 HG21 VAL A 8 9.373 18.644 -12.094 1.00 2.88 H new ATOM 0 HG22 VAL A 8 9.891 16.946 -12.226 1.00 2.88 H new ATOM 0 HG23 VAL A 8 8.757 17.626 -13.418 1.00 2.88 H new ATOM 131 N ASN A 9 5.910 15.134 -10.002 1.00 1.16 N ATOM 132 CA ASN A 9 4.707 14.698 -9.293 1.00 1.03 C ATOM 133 C ASN A 9 4.156 13.375 -9.829 1.00 0.82 C ATOM 134 O ASN A 9 3.902 12.465 -9.049 1.00 0.89 O ATOM 135 CB ASN A 9 3.622 15.787 -9.249 1.00 1.32 C ATOM 136 CG ASN A 9 4.134 17.086 -8.634 1.00 2.39 C ATOM 137 OD1 ASN A 9 4.925 17.065 -7.696 1.00 3.43 O ATOM 138 ND2 ASN A 9 3.705 18.230 -9.158 1.00 3.15 N ATOM 0 H ASN A 9 6.740 15.091 -9.411 1.00 1.16 H new ATOM 0 HA ASN A 9 5.017 14.517 -8.264 1.00 1.03 H new ATOM 0 HB2 ASN A 9 3.264 15.982 -10.260 1.00 1.32 H new ATOM 0 HB3 ASN A 9 2.770 15.426 -8.673 1.00 1.32 H new ATOM 0 HD21 ASN A 9 4.034 19.119 -8.780 1.00 3.15 H new ATOM 0 HD22 ASN A 9 3.047 18.219 -9.938 1.00 3.15 H new ATOM 145 N LEU A 10 4.044 13.216 -11.147 1.00 0.94 N ATOM 146 CA LEU A 10 3.602 11.977 -11.776 1.00 0.94 C ATOM 147 C LEU A 10 4.601 10.863 -11.463 1.00 0.76 C ATOM 148 O LEU A 10 4.212 9.748 -11.124 1.00 0.67 O ATOM 149 CB LEU A 10 3.435 12.174 -13.291 1.00 1.40 C ATOM 150 CG LEU A 10 2.111 12.833 -13.720 1.00 2.66 C ATOM 151 CD1 LEU A 10 0.917 11.888 -13.538 1.00 3.94 C ATOM 152 CD2 LEU A 10 1.833 14.168 -13.018 1.00 4.11 C ATOM 0 H LEU A 10 4.261 13.956 -11.815 1.00 0.94 H new ATOM 0 HA LEU A 10 2.630 11.691 -11.375 1.00 0.94 H new ATOM 0 HB2 LEU A 10 4.262 12.783 -13.656 1.00 1.40 H new ATOM 0 HB3 LEU A 10 3.515 11.203 -13.779 1.00 1.40 H new ATOM 0 HG LEU A 10 2.235 13.049 -14.781 1.00 2.66 H new ATOM 0 HD11 LEU A 10 0.003 12.392 -13.852 1.00 3.94 H new ATOM 0 HD12 LEU A 10 1.065 10.994 -14.144 1.00 3.94 H new ATOM 0 HD13 LEU A 10 0.833 11.606 -12.489 1.00 3.94 H new ATOM 0 HD21 LEU A 10 0.884 14.573 -13.370 1.00 4.11 H new ATOM 0 HD22 LEU A 10 1.783 14.009 -11.941 1.00 4.11 H new ATOM 0 HD23 LEU A 10 2.634 14.872 -13.244 1.00 4.11 H new ATOM 164 N LYS A 11 5.900 11.171 -11.516 1.00 0.88 N ATOM 165 CA LYS A 11 6.928 10.235 -11.076 1.00 0.94 C ATOM 166 C LYS A 11 6.632 9.814 -9.630 1.00 0.73 C ATOM 167 O LYS A 11 6.630 8.630 -9.298 1.00 0.83 O ATOM 168 CB LYS A 11 8.314 10.887 -11.244 1.00 1.15 C ATOM 169 CG LYS A 11 9.482 9.897 -11.391 1.00 1.73 C ATOM 170 CD LYS A 11 9.878 9.199 -10.079 1.00 2.13 C ATOM 171 CE LYS A 11 11.071 8.244 -10.251 1.00 2.65 C ATOM 172 NZ LYS A 11 12.325 8.939 -10.615 1.00 3.09 N ATOM 0 H LYS A 11 6.260 12.061 -11.859 1.00 0.88 H new ATOM 0 HA LYS A 11 6.926 9.330 -11.684 1.00 0.94 H new ATOM 0 HB2 LYS A 11 8.292 11.533 -12.122 1.00 1.15 H new ATOM 0 HB3 LYS A 11 8.505 11.527 -10.382 1.00 1.15 H new ATOM 0 HG2 LYS A 11 9.212 9.139 -12.127 1.00 1.73 H new ATOM 0 HG3 LYS A 11 10.349 10.429 -11.784 1.00 1.73 H new ATOM 0 HD2 LYS A 11 10.126 9.953 -9.332 1.00 2.13 H new ATOM 0 HD3 LYS A 11 9.023 8.641 -9.697 1.00 2.13 H new ATOM 0 HE2 LYS A 11 11.224 7.694 -9.323 1.00 2.65 H new ATOM 0 HE3 LYS A 11 10.833 7.510 -11.021 1.00 2.65 H new ATOM 0 HZ1 LYS A 11 13.108 8.255 -10.634 1.00 3.09 H new ATOM 0 HZ2 LYS A 11 12.221 9.372 -11.555 1.00 3.09 H new ATOM 0 HZ3 LYS A 11 12.528 9.679 -9.913 1.00 3.09 H new ATOM 186 N ARG A 12 6.348 10.794 -8.767 1.00 0.56 N ATOM 187 CA ARG A 12 6.078 10.540 -7.359 1.00 0.53 C ATOM 188 C ARG A 12 4.760 9.780 -7.171 1.00 0.46 C ATOM 189 O ARG A 12 4.622 8.989 -6.242 1.00 0.67 O ATOM 190 CB ARG A 12 6.088 11.883 -6.605 1.00 0.62 C ATOM 191 CG ARG A 12 6.751 11.825 -5.222 1.00 1.97 C ATOM 192 CD ARG A 12 5.906 11.093 -4.170 1.00 3.20 C ATOM 193 NE ARG A 12 6.557 11.072 -2.850 1.00 4.28 N ATOM 194 CZ ARG A 12 6.535 12.064 -1.945 1.00 4.70 C ATOM 195 NH1 ARG A 12 5.949 13.229 -2.245 1.00 4.36 N ATOM 196 NH2 ARG A 12 7.101 11.884 -0.745 1.00 6.11 N ATOM 0 H ARG A 12 6.300 11.779 -9.028 1.00 0.56 H new ATOM 0 HA ARG A 12 6.856 9.898 -6.946 1.00 0.53 H new ATOM 0 HB2 ARG A 12 6.607 12.624 -7.213 1.00 0.62 H new ATOM 0 HB3 ARG A 12 5.061 12.229 -6.489 1.00 0.62 H new ATOM 0 HG2 ARG A 12 7.717 11.328 -5.311 1.00 1.97 H new ATOM 0 HG3 ARG A 12 6.946 12.841 -4.878 1.00 1.97 H new ATOM 0 HD2 ARG A 12 4.934 11.578 -4.086 1.00 3.20 H new ATOM 0 HD3 ARG A 12 5.724 10.070 -4.500 1.00 3.20 H new ATOM 0 HE ARG A 12 7.071 10.227 -2.600 1.00 4.28 H new ATOM 0 HH11 ARG A 12 5.519 13.363 -3.160 1.00 4.36 H new ATOM 0 HH12 ARG A 12 5.932 13.983 -1.558 1.00 4.36 H new ATOM 0 HH21 ARG A 12 7.548 10.995 -0.520 1.00 6.11 H new ATOM 0 HH22 ARG A 12 7.086 12.636 -0.056 1.00 6.11 H new ATOM 210 N LEU A 13 3.825 9.925 -8.106 1.00 0.31 N ATOM 211 CA LEU A 13 2.551 9.225 -8.061 1.00 0.32 C ATOM 212 C LEU A 13 2.802 7.721 -8.109 1.00 0.33 C ATOM 213 O LEU A 13 2.160 6.966 -7.389 1.00 0.40 O ATOM 214 CB LEU A 13 1.607 9.707 -9.164 1.00 0.39 C ATOM 215 CG LEU A 13 0.202 9.081 -9.113 1.00 0.79 C ATOM 216 CD1 LEU A 13 -0.569 9.475 -7.847 1.00 2.26 C ATOM 217 CD2 LEU A 13 -0.588 9.541 -10.343 1.00 1.84 C ATOM 0 H LEU A 13 3.933 10.534 -8.917 1.00 0.31 H new ATOM 0 HA LEU A 13 2.044 9.452 -7.123 1.00 0.32 H new ATOM 0 HB2 LEU A 13 1.512 10.791 -9.097 1.00 0.39 H new ATOM 0 HB3 LEU A 13 2.056 9.486 -10.132 1.00 0.39 H new ATOM 0 HG LEU A 13 0.320 7.998 -9.101 1.00 0.79 H new ATOM 0 HD11 LEU A 13 -1.553 9.007 -7.860 1.00 2.26 H new ATOM 0 HD12 LEU A 13 -0.020 9.140 -6.967 1.00 2.26 H new ATOM 0 HD13 LEU A 13 -0.683 10.559 -7.813 1.00 2.26 H new ATOM 0 HD21 LEU A 13 -1.586 9.104 -10.319 1.00 1.84 H new ATOM 0 HD22 LEU A 13 -0.668 10.628 -10.339 1.00 1.84 H new ATOM 0 HD23 LEU A 13 -0.073 9.219 -11.248 1.00 1.84 H new ATOM 229 N LEU A 14 3.772 7.278 -8.912 1.00 0.30 N ATOM 230 CA LEU A 14 4.162 5.879 -8.962 1.00 0.36 C ATOM 231 C LEU A 14 4.587 5.397 -7.570 1.00 0.34 C ATOM 232 O LEU A 14 4.135 4.358 -7.088 1.00 0.37 O ATOM 233 CB LEU A 14 5.278 5.710 -10.010 1.00 0.40 C ATOM 234 CG LEU A 14 5.436 4.312 -10.636 1.00 0.59 C ATOM 235 CD1 LEU A 14 5.782 3.223 -9.616 1.00 2.30 C ATOM 236 CD2 LEU A 14 4.206 3.901 -11.454 1.00 2.06 C ATOM 0 H LEU A 14 4.303 7.881 -9.541 1.00 0.30 H new ATOM 0 HA LEU A 14 3.318 5.259 -9.264 1.00 0.36 H new ATOM 0 HB2 LEU A 14 5.100 6.424 -10.814 1.00 0.40 H new ATOM 0 HB3 LEU A 14 6.225 5.983 -9.545 1.00 0.40 H new ATOM 0 HG LEU A 14 6.287 4.401 -11.311 1.00 0.59 H new ATOM 0 HD11 LEU A 14 5.878 2.264 -10.126 1.00 2.30 H new ATOM 0 HD12 LEU A 14 6.724 3.470 -9.126 1.00 2.30 H new ATOM 0 HD13 LEU A 14 4.990 3.159 -8.870 1.00 2.30 H new ATOM 0 HD21 LEU A 14 4.364 2.908 -11.876 1.00 2.06 H new ATOM 0 HD22 LEU A 14 3.328 3.885 -10.808 1.00 2.06 H new ATOM 0 HD23 LEU A 14 4.050 4.617 -12.261 1.00 2.06 H new ATOM 248 N VAL A 15 5.412 6.192 -6.885 1.00 0.29 N ATOM 249 CA VAL A 15 5.828 5.880 -5.525 1.00 0.33 C ATOM 250 C VAL A 15 4.594 5.814 -4.618 1.00 0.32 C ATOM 251 O VAL A 15 4.451 4.876 -3.837 1.00 0.31 O ATOM 252 CB VAL A 15 6.883 6.882 -5.022 1.00 0.40 C ATOM 253 CG1 VAL A 15 7.387 6.486 -3.628 1.00 0.64 C ATOM 254 CG2 VAL A 15 8.082 6.953 -5.979 1.00 0.43 C ATOM 0 H VAL A 15 5.804 7.058 -7.255 1.00 0.29 H new ATOM 0 HA VAL A 15 6.310 4.903 -5.506 1.00 0.33 H new ATOM 0 HB VAL A 15 6.403 7.859 -4.975 1.00 0.40 H new ATOM 0 HG11 VAL A 15 8.132 7.207 -3.292 1.00 0.64 H new ATOM 0 HG12 VAL A 15 6.551 6.475 -2.929 1.00 0.64 H new ATOM 0 HG13 VAL A 15 7.837 5.494 -3.672 1.00 0.64 H new ATOM 0 HG21 VAL A 15 8.810 7.669 -5.597 1.00 0.43 H new ATOM 0 HG22 VAL A 15 8.545 5.969 -6.055 1.00 0.43 H new ATOM 0 HG23 VAL A 15 7.742 7.271 -6.965 1.00 0.43 H new ATOM 264 N VAL A 16 3.681 6.783 -4.738 1.00 0.35 N ATOM 265 CA VAL A 16 2.436 6.760 -3.982 1.00 0.40 C ATOM 266 C VAL A 16 1.678 5.459 -4.255 1.00 0.41 C ATOM 267 O VAL A 16 1.234 4.823 -3.307 1.00 0.42 O ATOM 268 CB VAL A 16 1.589 8.020 -4.240 1.00 0.44 C ATOM 269 CG1 VAL A 16 0.214 7.925 -3.565 1.00 0.51 C ATOM 270 CG2 VAL A 16 2.301 9.267 -3.698 1.00 0.55 C ATOM 0 H VAL A 16 3.786 7.590 -5.352 1.00 0.35 H new ATOM 0 HA VAL A 16 2.671 6.780 -2.918 1.00 0.40 H new ATOM 0 HB VAL A 16 1.456 8.096 -5.319 1.00 0.44 H new ATOM 0 HG11 VAL A 16 -0.355 8.832 -3.769 1.00 0.51 H new ATOM 0 HG12 VAL A 16 -0.325 7.062 -3.957 1.00 0.51 H new ATOM 0 HG13 VAL A 16 0.344 7.813 -2.489 1.00 0.51 H new ATOM 0 HG21 VAL A 16 1.688 10.148 -3.889 1.00 0.55 H new ATOM 0 HG22 VAL A 16 2.457 9.159 -2.625 1.00 0.55 H new ATOM 0 HG23 VAL A 16 3.264 9.381 -4.195 1.00 0.55 H new ATOM 280 N VAL A 17 1.548 5.024 -5.513 1.00 0.43 N ATOM 281 CA VAL A 17 0.896 3.770 -5.838 1.00 0.46 C ATOM 282 C VAL A 17 1.576 2.614 -5.094 1.00 0.42 C ATOM 283 O VAL A 17 0.903 1.817 -4.442 1.00 0.44 O ATOM 284 CB VAL A 17 0.833 3.572 -7.364 1.00 0.49 C ATOM 285 CG1 VAL A 17 0.384 2.154 -7.728 1.00 0.56 C ATOM 286 CG2 VAL A 17 -0.159 4.565 -7.987 1.00 0.54 C ATOM 0 H VAL A 17 1.893 5.536 -6.325 1.00 0.43 H new ATOM 0 HA VAL A 17 -0.139 3.791 -5.496 1.00 0.46 H new ATOM 0 HB VAL A 17 1.837 3.741 -7.752 1.00 0.49 H new ATOM 0 HG11 VAL A 17 0.351 2.050 -8.813 1.00 0.56 H new ATOM 0 HG12 VAL A 17 1.089 1.432 -7.316 1.00 0.56 H new ATOM 0 HG13 VAL A 17 -0.608 1.969 -7.315 1.00 0.56 H new ATOM 0 HG21 VAL A 17 -0.195 4.415 -9.066 1.00 0.54 H new ATOM 0 HG22 VAL A 17 -1.151 4.402 -7.565 1.00 0.54 H new ATOM 0 HG23 VAL A 17 0.163 5.584 -7.773 1.00 0.54 H new ATOM 296 N VAL A 18 2.908 2.528 -5.152 1.00 0.38 N ATOM 297 CA VAL A 18 3.645 1.512 -4.417 1.00 0.36 C ATOM 298 C VAL A 18 3.317 1.574 -2.918 1.00 0.33 C ATOM 299 O VAL A 18 3.055 0.545 -2.294 1.00 0.34 O ATOM 300 CB VAL A 18 5.154 1.613 -4.708 1.00 0.34 C ATOM 301 CG1 VAL A 18 5.968 0.656 -3.825 1.00 0.34 C ATOM 302 CG2 VAL A 18 5.438 1.266 -6.176 1.00 0.39 C ATOM 0 H VAL A 18 3.494 3.155 -5.704 1.00 0.38 H new ATOM 0 HA VAL A 18 3.328 0.528 -4.762 1.00 0.36 H new ATOM 0 HB VAL A 18 5.451 2.639 -4.492 1.00 0.34 H new ATOM 0 HG11 VAL A 18 7.028 0.757 -4.060 1.00 0.34 H new ATOM 0 HG12 VAL A 18 5.804 0.901 -2.776 1.00 0.34 H new ATOM 0 HG13 VAL A 18 5.651 -0.370 -4.012 1.00 0.34 H new ATOM 0 HG21 VAL A 18 6.508 1.342 -6.367 1.00 0.39 H new ATOM 0 HG22 VAL A 18 5.104 0.249 -6.381 1.00 0.39 H new ATOM 0 HG23 VAL A 18 4.904 1.961 -6.824 1.00 0.39 H new ATOM 312 N VAL A 19 3.306 2.775 -2.333 1.00 0.32 N ATOM 313 CA VAL A 19 2.983 2.944 -0.924 1.00 0.31 C ATOM 314 C VAL A 19 1.569 2.427 -0.666 1.00 0.33 C ATOM 315 O VAL A 19 1.356 1.667 0.273 1.00 0.31 O ATOM 316 CB VAL A 19 3.184 4.405 -0.482 1.00 0.31 C ATOM 317 CG1 VAL A 19 2.628 4.654 0.926 1.00 0.34 C ATOM 318 CG2 VAL A 19 4.679 4.752 -0.473 1.00 0.28 C ATOM 0 H VAL A 19 3.519 3.645 -2.821 1.00 0.32 H new ATOM 0 HA VAL A 19 3.667 2.354 -0.313 1.00 0.31 H new ATOM 0 HB VAL A 19 2.646 5.032 -1.194 1.00 0.31 H new ATOM 0 HG11 VAL A 19 2.789 5.696 1.202 1.00 0.34 H new ATOM 0 HG12 VAL A 19 1.560 4.436 0.939 1.00 0.34 H new ATOM 0 HG13 VAL A 19 3.139 4.007 1.639 1.00 0.34 H new ATOM 0 HG21 VAL A 19 4.810 5.788 -0.159 1.00 0.28 H new ATOM 0 HG22 VAL A 19 5.201 4.093 0.221 1.00 0.28 H new ATOM 0 HG23 VAL A 19 5.089 4.622 -1.475 1.00 0.28 H new ATOM 328 N VAL A 20 0.609 2.808 -1.510 1.00 0.38 N ATOM 329 CA VAL A 20 -0.765 2.350 -1.426 1.00 0.42 C ATOM 330 C VAL A 20 -0.811 0.821 -1.428 1.00 0.40 C ATOM 331 O VAL A 20 -1.451 0.231 -0.563 1.00 0.39 O ATOM 332 CB VAL A 20 -1.640 2.989 -2.523 1.00 0.49 C ATOM 333 CG1 VAL A 20 -3.013 2.310 -2.631 1.00 0.55 C ATOM 334 CG2 VAL A 20 -1.868 4.476 -2.221 1.00 0.52 C ATOM 0 H VAL A 20 0.774 3.454 -2.281 1.00 0.38 H new ATOM 0 HA VAL A 20 -1.194 2.681 -0.480 1.00 0.42 H new ATOM 0 HB VAL A 20 -1.106 2.863 -3.465 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -3.596 2.792 -3.416 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -2.879 1.256 -2.873 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -3.539 2.400 -1.681 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -2.487 4.915 -3.003 1.00 0.52 H new ATOM 0 HG22 VAL A 20 -2.371 4.579 -1.259 1.00 0.52 H new ATOM 0 HG23 VAL A 20 -0.908 4.991 -2.186 1.00 0.52 H new ATOM 344 N VAL A 21 -0.123 0.165 -2.367 1.00 0.40 N ATOM 345 CA VAL A 21 -0.064 -1.282 -2.425 1.00 0.40 C ATOM 346 C VAL A 21 0.475 -1.851 -1.109 1.00 0.34 C ATOM 347 O VAL A 21 -0.108 -2.781 -0.555 1.00 0.32 O ATOM 348 CB VAL A 21 0.787 -1.674 -3.642 1.00 0.45 C ATOM 349 CG1 VAL A 21 1.170 -3.151 -3.615 1.00 0.47 C ATOM 350 CG2 VAL A 21 0.027 -1.391 -4.946 1.00 0.51 C ATOM 0 H VAL A 21 0.406 0.631 -3.105 1.00 0.40 H new ATOM 0 HA VAL A 21 -1.059 -1.709 -2.548 1.00 0.40 H new ATOM 0 HB VAL A 21 1.695 -1.073 -3.597 1.00 0.45 H new ATOM 0 HG11 VAL A 21 1.771 -3.387 -4.493 1.00 0.47 H new ATOM 0 HG12 VAL A 21 1.746 -3.361 -2.714 1.00 0.47 H new ATOM 0 HG13 VAL A 21 0.267 -3.761 -3.619 1.00 0.47 H new ATOM 0 HG21 VAL A 21 0.646 -1.675 -5.797 1.00 0.51 H new ATOM 0 HG22 VAL A 21 -0.897 -1.968 -4.961 1.00 0.51 H new ATOM 0 HG23 VAL A 21 -0.208 -0.328 -5.007 1.00 0.51 H new ATOM 360 N LEU A 22 1.572 -1.292 -0.594 1.00 0.31 N ATOM 361 CA LEU A 22 2.152 -1.705 0.673 1.00 0.28 C ATOM 362 C LEU A 22 1.111 -1.548 1.790 1.00 0.25 C ATOM 363 O LEU A 22 0.889 -2.471 2.571 1.00 0.25 O ATOM 364 CB LEU A 22 3.481 -0.939 0.861 1.00 0.29 C ATOM 365 CG LEU A 22 3.771 -0.416 2.269 1.00 0.29 C ATOM 366 CD1 LEU A 22 4.086 -1.548 3.254 1.00 0.37 C ATOM 367 CD2 LEU A 22 4.964 0.547 2.238 1.00 0.30 C ATOM 0 H LEU A 22 2.081 -0.536 -1.052 1.00 0.31 H new ATOM 0 HA LEU A 22 2.413 -2.763 0.700 1.00 0.28 H new ATOM 0 HB2 LEU A 22 4.299 -1.596 0.565 1.00 0.29 H new ATOM 0 HB3 LEU A 22 3.488 -0.093 0.174 1.00 0.29 H new ATOM 0 HG LEU A 22 2.871 0.097 2.607 1.00 0.29 H new ATOM 0 HD11 LEU A 22 4.285 -1.128 4.240 1.00 0.37 H new ATOM 0 HD12 LEU A 22 3.234 -2.226 3.314 1.00 0.37 H new ATOM 0 HD13 LEU A 22 4.963 -2.096 2.910 1.00 0.37 H new ATOM 0 HD21 LEU A 22 5.162 0.914 3.245 1.00 0.30 H new ATOM 0 HD22 LEU A 22 5.844 0.024 1.863 1.00 0.30 H new ATOM 0 HD23 LEU A 22 4.735 1.389 1.584 1.00 0.30 H new ATOM 379 N VAL A 23 0.430 -0.405 1.855 1.00 0.27 N ATOM 380 CA VAL A 23 -0.558 -0.114 2.863 1.00 0.29 C ATOM 381 C VAL A 23 -1.724 -1.093 2.751 1.00 0.28 C ATOM 382 O VAL A 23 -2.215 -1.578 3.767 1.00 0.27 O ATOM 383 CB VAL A 23 -0.948 1.364 2.705 1.00 0.34 C ATOM 384 CG1 VAL A 23 -2.268 1.678 3.392 1.00 0.39 C ATOM 385 CG2 VAL A 23 0.151 2.268 3.281 1.00 0.36 C ATOM 0 H VAL A 23 0.562 0.355 1.187 1.00 0.27 H new ATOM 0 HA VAL A 23 -0.175 -0.251 3.874 1.00 0.29 H new ATOM 0 HB VAL A 23 -1.065 1.555 1.638 1.00 0.34 H new ATOM 0 HG11 VAL A 23 -2.507 2.733 3.256 1.00 0.39 H new ATOM 0 HG12 VAL A 23 -3.059 1.068 2.956 1.00 0.39 H new ATOM 0 HG13 VAL A 23 -2.185 1.459 4.457 1.00 0.39 H new ATOM 0 HG21 VAL A 23 -0.138 3.312 3.163 1.00 0.36 H new ATOM 0 HG22 VAL A 23 0.286 2.047 4.340 1.00 0.36 H new ATOM 0 HG23 VAL A 23 1.086 2.088 2.750 1.00 0.36 H new ATOM 395 N VAL A 24 -2.159 -1.430 1.537 1.00 0.29 N ATOM 396 CA VAL A 24 -3.184 -2.401 1.314 1.00 0.29 C ATOM 397 C VAL A 24 -2.708 -3.767 1.805 1.00 0.24 C ATOM 398 O VAL A 24 -3.431 -4.424 2.544 1.00 0.22 O ATOM 399 CB VAL A 24 -3.548 -2.321 -0.175 1.00 0.34 C ATOM 400 CG1 VAL A 24 -4.232 -3.588 -0.645 1.00 0.35 C ATOM 401 CG2 VAL A 24 -4.456 -1.111 -0.436 1.00 0.42 C ATOM 0 H VAL A 24 -1.791 -1.019 0.679 1.00 0.29 H new ATOM 0 HA VAL A 24 -4.096 -2.214 1.881 1.00 0.29 H new ATOM 0 HB VAL A 24 -2.622 -2.206 -0.738 1.00 0.34 H new ATOM 0 HG11 VAL A 24 -4.476 -3.498 -1.703 1.00 0.35 H new ATOM 0 HG12 VAL A 24 -3.565 -4.438 -0.497 1.00 0.35 H new ATOM 0 HG13 VAL A 24 -5.147 -3.741 -0.073 1.00 0.35 H new ATOM 0 HG21 VAL A 24 -4.707 -1.066 -1.496 1.00 0.42 H new ATOM 0 HG22 VAL A 24 -5.370 -1.209 0.149 1.00 0.42 H new ATOM 0 HG23 VAL A 24 -3.937 -0.197 -0.147 1.00 0.42 H new ATOM 411 N VAL A 25 -1.490 -4.192 1.462 1.00 0.25 N ATOM 412 CA VAL A 25 -0.905 -5.399 2.006 1.00 0.25 C ATOM 413 C VAL A 25 -0.900 -5.371 3.534 1.00 0.23 C ATOM 414 O VAL A 25 -1.207 -6.379 4.166 1.00 0.25 O ATOM 415 CB VAL A 25 0.482 -5.623 1.378 1.00 0.29 C ATOM 416 CG1 VAL A 25 1.513 -6.222 2.336 1.00 0.32 C ATOM 417 CG2 VAL A 25 0.303 -6.555 0.181 1.00 0.36 C ATOM 0 H VAL A 25 -0.889 -3.703 0.799 1.00 0.25 H new ATOM 0 HA VAL A 25 -1.516 -6.262 1.742 1.00 0.25 H new ATOM 0 HB VAL A 25 0.875 -4.647 1.092 1.00 0.29 H new ATOM 0 HG11 VAL A 25 2.463 -6.348 1.816 1.00 0.32 H new ATOM 0 HG12 VAL A 25 1.651 -5.554 3.186 1.00 0.32 H new ATOM 0 HG13 VAL A 25 1.161 -7.191 2.689 1.00 0.32 H new ATOM 0 HG21 VAL A 25 1.270 -6.735 -0.288 1.00 0.36 H new ATOM 0 HG22 VAL A 25 -0.119 -7.502 0.517 1.00 0.36 H new ATOM 0 HG23 VAL A 25 -0.371 -6.094 -0.541 1.00 0.36 H new ATOM 427 N VAL A 26 -0.578 -4.226 4.136 1.00 0.23 N ATOM 428 CA VAL A 26 -0.560 -4.093 5.585 1.00 0.26 C ATOM 429 C VAL A 26 -1.982 -4.282 6.110 1.00 0.26 C ATOM 430 O VAL A 26 -2.184 -5.026 7.066 1.00 0.29 O ATOM 431 CB VAL A 26 0.082 -2.762 6.006 1.00 0.29 C ATOM 432 CG1 VAL A 26 -0.355 -2.277 7.395 1.00 0.34 C ATOM 433 CG2 VAL A 26 1.610 -2.874 5.948 1.00 0.30 C ATOM 0 H VAL A 26 -0.325 -3.374 3.635 1.00 0.23 H new ATOM 0 HA VAL A 26 0.064 -4.866 6.034 1.00 0.26 H new ATOM 0 HB VAL A 26 -0.270 -2.015 5.295 1.00 0.29 H new ATOM 0 HG11 VAL A 26 0.139 -1.333 7.623 1.00 0.34 H new ATOM 0 HG12 VAL A 26 -1.435 -2.133 7.407 1.00 0.34 H new ATOM 0 HG13 VAL A 26 -0.080 -3.020 8.143 1.00 0.34 H new ATOM 0 HG21 VAL A 26 2.056 -1.926 6.248 1.00 0.30 H new ATOM 0 HG22 VAL A 26 1.943 -3.662 6.624 1.00 0.30 H new ATOM 0 HG23 VAL A 26 1.919 -3.114 4.931 1.00 0.30 H new ATOM 443 N ILE A 27 -2.973 -3.644 5.481 1.00 0.25 N ATOM 444 CA ILE A 27 -4.362 -3.769 5.871 1.00 0.26 C ATOM 445 C ILE A 27 -4.775 -5.241 5.758 1.00 0.24 C ATOM 446 O ILE A 27 -5.426 -5.779 6.650 1.00 0.26 O ATOM 447 CB ILE A 27 -5.218 -2.818 5.016 1.00 0.30 C ATOM 448 CG1 ILE A 27 -5.171 -1.415 5.647 1.00 0.36 C ATOM 449 CG2 ILE A 27 -6.681 -3.279 4.909 1.00 0.31 C ATOM 450 CD1 ILE A 27 -5.550 -0.312 4.654 1.00 0.41 C ATOM 0 H ILE A 27 -2.823 -3.025 4.684 1.00 0.25 H new ATOM 0 HA ILE A 27 -4.516 -3.473 6.909 1.00 0.26 H new ATOM 0 HB ILE A 27 -4.807 -2.811 4.006 1.00 0.30 H new ATOM 0 HG12 ILE A 27 -5.849 -1.381 6.499 1.00 0.36 H new ATOM 0 HG13 ILE A 27 -4.168 -1.226 6.030 1.00 0.36 H new ATOM 0 HG21 ILE A 27 -7.241 -2.573 4.295 1.00 0.31 H new ATOM 0 HG22 ILE A 27 -6.718 -4.267 4.451 1.00 0.31 H new ATOM 0 HG23 ILE A 27 -7.122 -3.324 5.905 1.00 0.31 H new ATOM 0 HD11 ILE A 27 -5.501 0.657 5.150 1.00 0.41 H new ATOM 0 HD12 ILE A 27 -4.856 -0.325 3.814 1.00 0.41 H new ATOM 0 HD13 ILE A 27 -6.563 -0.482 4.290 1.00 0.41 H new ATOM 462 N VAL A 28 -4.382 -5.901 4.666 1.00 0.23 N ATOM 463 CA VAL A 28 -4.758 -7.279 4.396 1.00 0.25 C ATOM 464 C VAL A 28 -4.144 -8.194 5.457 1.00 0.23 C ATOM 465 O VAL A 28 -4.848 -9.000 6.064 1.00 0.23 O ATOM 466 CB VAL A 28 -4.375 -7.650 2.953 1.00 0.29 C ATOM 467 CG1 VAL A 28 -4.415 -9.161 2.713 1.00 0.34 C ATOM 468 CG2 VAL A 28 -5.342 -6.980 1.966 1.00 0.34 C ATOM 0 H VAL A 28 -3.791 -5.487 3.945 1.00 0.23 H new ATOM 0 HA VAL A 28 -5.838 -7.408 4.466 1.00 0.25 H new ATOM 0 HB VAL A 28 -3.354 -7.301 2.797 1.00 0.29 H new ATOM 0 HG11 VAL A 28 -4.137 -9.373 1.681 1.00 0.34 H new ATOM 0 HG12 VAL A 28 -3.714 -9.655 3.386 1.00 0.34 H new ATOM 0 HG13 VAL A 28 -5.422 -9.533 2.901 1.00 0.34 H new ATOM 0 HG21 VAL A 28 -5.064 -7.247 0.946 1.00 0.34 H new ATOM 0 HG22 VAL A 28 -6.359 -7.319 2.166 1.00 0.34 H new ATOM 0 HG23 VAL A 28 -5.290 -5.898 2.084 1.00 0.34 H new ATOM 478 N GLY A 29 -2.842 -8.057 5.711 1.00 0.27 N ATOM 479 CA GLY A 29 -2.189 -8.790 6.785 1.00 0.31 C ATOM 480 C GLY A 29 -2.878 -8.534 8.125 1.00 0.34 C ATOM 481 O GLY A 29 -3.233 -9.475 8.829 1.00 0.42 O ATOM 0 H GLY A 29 -2.222 -7.443 5.184 1.00 0.27 H new ATOM 0 HA2 GLY A 29 -2.204 -9.857 6.563 1.00 0.31 H new ATOM 0 HA3 GLY A 29 -1.142 -8.493 6.848 1.00 0.31 H new ATOM 485 N ALA A 30 -3.097 -7.264 8.468 1.00 0.32 N ATOM 486 CA ALA A 30 -3.766 -6.886 9.705 1.00 0.37 C ATOM 487 C ALA A 30 -5.135 -7.561 9.818 1.00 0.42 C ATOM 488 O ALA A 30 -5.493 -8.052 10.886 1.00 0.57 O ATOM 489 CB ALA A 30 -3.890 -5.363 9.792 1.00 0.40 C ATOM 0 H ALA A 30 -2.814 -6.471 7.893 1.00 0.32 H new ATOM 0 HA ALA A 30 -3.163 -7.230 10.545 1.00 0.37 H new ATOM 0 HB1 ALA A 30 -4.392 -5.091 10.721 1.00 0.40 H new ATOM 0 HB2 ALA A 30 -2.896 -4.915 9.772 1.00 0.40 H new ATOM 0 HB3 ALA A 30 -4.470 -4.996 8.945 1.00 0.40 H new ATOM 495 N LEU A 31 -5.892 -7.604 8.717 1.00 0.33 N ATOM 496 CA LEU A 31 -7.153 -8.292 8.640 1.00 0.35 C ATOM 497 C LEU A 31 -6.917 -9.777 8.944 1.00 0.42 C ATOM 498 O LEU A 31 -7.422 -10.257 9.957 1.00 0.65 O ATOM 499 CB LEU A 31 -7.785 -7.938 7.282 1.00 0.30 C ATOM 500 CG LEU A 31 -8.804 -8.957 6.803 1.00 0.37 C ATOM 501 CD1 LEU A 31 -10.023 -9.054 7.725 1.00 0.44 C ATOM 502 CD2 LEU A 31 -9.249 -8.640 5.371 1.00 0.41 C ATOM 0 H LEU A 31 -5.626 -7.147 7.845 1.00 0.33 H new ATOM 0 HA LEU A 31 -7.886 -7.985 9.386 1.00 0.35 H new ATOM 0 HB2 LEU A 31 -8.266 -6.963 7.358 1.00 0.30 H new ATOM 0 HB3 LEU A 31 -6.996 -7.847 6.536 1.00 0.30 H new ATOM 0 HG LEU A 31 -8.309 -9.928 6.823 1.00 0.37 H new ATOM 0 HD11 LEU A 31 -10.717 -9.797 7.333 1.00 0.44 H new ATOM 0 HD12 LEU A 31 -9.701 -9.349 8.724 1.00 0.44 H new ATOM 0 HD13 LEU A 31 -10.519 -8.085 7.775 1.00 0.44 H new ATOM 0 HD21 LEU A 31 -9.979 -9.381 5.045 1.00 0.41 H new ATOM 0 HD22 LEU A 31 -9.700 -7.648 5.341 1.00 0.41 H new ATOM 0 HD23 LEU A 31 -8.385 -8.666 4.707 1.00 0.41 H new ATOM 514 N LEU A 32 -6.126 -10.494 8.132 1.00 0.36 N ATOM 515 CA LEU A 32 -6.045 -11.951 8.266 1.00 0.52 C ATOM 516 C LEU A 32 -5.420 -12.403 9.589 1.00 0.42 C ATOM 517 O LEU A 32 -5.728 -13.485 10.083 1.00 0.47 O ATOM 518 CB LEU A 32 -5.485 -12.645 7.018 1.00 0.92 C ATOM 519 CG LEU A 32 -3.999 -12.359 6.867 1.00 1.55 C ATOM 520 CD1 LEU A 32 -3.114 -13.460 7.467 1.00 2.92 C ATOM 521 CD2 LEU A 32 -3.626 -12.156 5.395 1.00 2.55 C ATOM 0 H LEU A 32 -5.546 -10.098 7.392 1.00 0.36 H new ATOM 0 HA LEU A 32 -7.074 -12.305 8.325 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -5.648 -13.720 7.089 1.00 0.92 H new ATOM 0 HB3 LEU A 32 -6.019 -12.299 6.133 1.00 0.92 H new ATOM 0 HG LEU A 32 -3.813 -11.442 7.425 1.00 1.55 H new ATOM 0 HD11 LEU A 32 -2.065 -13.199 7.328 1.00 2.92 H new ATOM 0 HD12 LEU A 32 -3.326 -13.557 8.532 1.00 2.92 H new ATOM 0 HD13 LEU A 32 -3.322 -14.406 6.968 1.00 2.92 H new ATOM 0 HD21 LEU A 32 -2.558 -11.953 5.315 1.00 2.55 H new ATOM 0 HD22 LEU A 32 -3.867 -13.057 4.831 1.00 2.55 H new ATOM 0 HD23 LEU A 32 -4.187 -11.313 4.990 1.00 2.55 H new ATOM 533 N MET A 33 -4.544 -11.582 10.176 1.00 0.39 N ATOM 534 CA MET A 33 -4.034 -11.817 11.521 1.00 0.44 C ATOM 535 C MET A 33 -5.172 -11.800 12.549 1.00 0.52 C ATOM 536 O MET A 33 -5.096 -12.500 13.557 1.00 0.72 O ATOM 537 CB MET A 33 -2.969 -10.768 11.863 1.00 0.54 C ATOM 538 CG MET A 33 -1.665 -11.029 11.100 1.00 1.97 C ATOM 539 SD MET A 33 -0.434 -9.710 11.250 1.00 2.66 S ATOM 540 CE MET A 33 0.896 -10.398 10.241 1.00 3.86 C ATOM 0 H MET A 33 -4.173 -10.742 9.732 1.00 0.39 H new ATOM 0 HA MET A 33 -3.575 -12.805 11.555 1.00 0.44 H new ATOM 0 HB2 MET A 33 -3.343 -9.774 11.619 1.00 0.54 H new ATOM 0 HB3 MET A 33 -2.774 -10.781 12.935 1.00 0.54 H new ATOM 0 HG2 MET A 33 -1.228 -11.960 11.460 1.00 1.97 H new ATOM 0 HG3 MET A 33 -1.898 -11.173 10.045 1.00 1.97 H new ATOM 0 HE1 MET A 33 1.738 -9.706 10.227 1.00 3.86 H new ATOM 0 HE2 MET A 33 1.217 -11.351 10.662 1.00 3.86 H new ATOM 0 HE3 MET A 33 0.538 -10.553 9.223 1.00 3.86 H new ATOM 550 N GLY A 34 -6.209 -10.993 12.309 1.00 0.55 N ATOM 551 CA GLY A 34 -7.383 -10.919 13.156 1.00 0.86 C ATOM 552 C GLY A 34 -8.384 -12.019 12.805 1.00 2.62 C ATOM 553 O GLY A 34 -8.679 -12.871 13.641 1.00 3.54 O ATOM 0 H GLY A 34 -6.248 -10.366 11.505 1.00 0.55 H new ATOM 0 HA2 GLY A 34 -7.088 -11.012 14.201 1.00 0.86 H new ATOM 0 HA3 GLY A 34 -7.856 -9.943 13.043 1.00 0.86 H new ATOM 557 N LEU A 35 -8.960 -11.963 11.600 1.00 3.58 N ATOM 558 CA LEU A 35 -10.107 -12.714 11.185 1.00 5.48 C ATOM 559 C LEU A 35 -10.071 -12.936 9.674 1.00 6.57 C ATOM 560 O LEU A 35 -10.715 -13.874 9.209 1.00 7.84 O ATOM 561 CB LEU A 35 -11.329 -11.905 11.605 1.00 6.03 C ATOM 562 CG LEU A 35 -11.616 -10.565 10.897 1.00 6.25 C ATOM 563 CD1 LEU A 35 -13.096 -10.217 11.102 1.00 7.41 C ATOM 564 CD2 LEU A 35 -10.779 -9.399 11.447 1.00 5.85 C ATOM 565 OXT LEU A 35 -9.496 -12.099 8.979 1.00 6.59 O ATOM 0 H LEU A 35 -8.605 -11.354 10.862 1.00 3.58 H new ATOM 0 HA LEU A 35 -10.132 -13.702 11.645 1.00 5.48 H new ATOM 0 HB2 LEU A 35 -12.205 -12.540 11.475 1.00 6.03 H new ATOM 0 HB3 LEU A 35 -11.238 -11.701 12.672 1.00 6.03 H new ATOM 0 HG LEU A 35 -11.357 -10.694 9.846 1.00 6.25 H new ATOM 0 HD11 LEU A 35 -13.319 -9.271 10.608 1.00 7.41 H new ATOM 0 HD12 LEU A 35 -13.717 -11.005 10.676 1.00 7.41 H new ATOM 0 HD13 LEU A 35 -13.304 -10.128 12.168 1.00 7.41 H new ATOM 0 HD21 LEU A 35 -11.028 -8.486 10.907 1.00 5.85 H new ATOM 0 HD22 LEU A 35 -10.995 -9.264 12.507 1.00 5.85 H new ATOM 0 HD23 LEU A 35 -9.719 -9.619 11.318 1.00 5.85 H new TER 577 LEU A 35