USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 248 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 Set 1.1: A 6 ASN : amide:sc= 1.04 K(o=1.7,f=-19!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -159:sc= 0.69 (180deg=0) USER MOD Set 2.1: A 11 ASN : amide:sc= 0.941 K(o=0.94,f=-0.57) USER MOD Set 2.2: A 31 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 5 LYS NZ :NH3+ -179:sc= 0.528! (180deg=0) USER MOD Set 3.2: A 37 ASN : amide:sc= 1.06 K(o=1.6,f=-17!) USER MOD Single : A 1 ALA N :NH3+ -122:sc= 0.114 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.174 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 143:sc= -0.154 USER MOD Single : A 22 SER OG : rot 70:sc= 1.15 USER MOD Single : A 23 TYR OH : rot -166:sc= 1.18 USER MOD Single : A 26 GLN : amide:sc= -0.0774 K(o=-0.077,f=-8.9!) USER MOD Single : A 30 GLN : amide:sc= -0.332 K(o=-0.33,f=-3.6!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.571 -7.695 -3.751 1.00 3.10 N ATOM 2 CA ALA A 1 12.189 -6.251 -3.805 1.00 2.11 C ATOM 3 C ALA A 1 11.901 -5.725 -2.389 1.00 1.46 C ATOM 4 O ALA A 1 11.969 -6.462 -1.424 1.00 2.01 O ATOM 5 CB ALA A 1 10.925 -6.219 -4.664 1.00 2.29 C ATOM 0 H1 ALA A 1 13.514 -7.821 -4.172 1.00 3.10 H new ATOM 0 H2 ALA A 1 12.589 -8.013 -2.761 1.00 3.10 H new ATOM 0 H3 ALA A 1 11.877 -8.258 -4.282 1.00 3.10 H new ATOM 0 HA ALA A 1 12.979 -5.623 -4.216 1.00 2.11 H new ATOM 0 HB1 ALA A 1 10.574 -5.191 -4.757 1.00 2.29 H new ATOM 0 HB2 ALA A 1 11.148 -6.617 -5.654 1.00 2.29 H new ATOM 0 HB3 ALA A 1 10.151 -6.826 -4.195 1.00 2.29 H new ATOM 10 N GLY A 2 11.582 -4.459 -2.256 1.00 0.72 N ATOM 11 CA GLY A 2 11.295 -3.893 -0.902 1.00 0.61 C ATOM 12 C GLY A 2 9.785 -3.777 -0.686 1.00 0.51 C ATOM 13 O GLY A 2 9.198 -2.736 -0.911 1.00 0.67 O ATOM 0 H GLY A 2 11.508 -3.795 -3.027 1.00 0.72 H new ATOM 0 HA2 GLY A 2 11.732 -4.531 -0.133 1.00 0.61 H new ATOM 0 HA3 GLY A 2 11.760 -2.912 -0.804 1.00 0.61 H new ATOM 17 N CYS A 3 9.150 -4.829 -0.241 1.00 0.37 N ATOM 18 CA CYS A 3 7.674 -4.763 0.003 1.00 0.30 C ATOM 19 C CYS A 3 7.267 -5.753 1.100 1.00 0.27 C ATOM 20 O CYS A 3 8.015 -6.640 1.460 1.00 0.31 O ATOM 21 CB CYS A 3 7.014 -5.120 -1.336 1.00 0.29 C ATOM 22 SG CYS A 3 7.252 -6.878 -1.711 1.00 0.32 S ATOM 0 H CYS A 3 9.585 -5.729 -0.036 1.00 0.37 H new ATOM 0 HA CYS A 3 7.364 -3.776 0.345 1.00 0.30 H new ATOM 0 HB2 CYS A 3 5.949 -4.891 -1.296 1.00 0.29 H new ATOM 0 HB3 CYS A 3 7.441 -4.511 -2.133 1.00 0.29 H new ATOM 27 N ILE A 4 6.081 -5.604 1.633 1.00 0.26 N ATOM 28 CA ILE A 4 5.614 -6.532 2.708 1.00 0.29 C ATOM 29 C ILE A 4 4.335 -7.240 2.250 1.00 0.27 C ATOM 30 O ILE A 4 3.357 -6.605 1.904 1.00 0.28 O ATOM 31 CB ILE A 4 5.345 -5.634 3.920 1.00 0.37 C ATOM 32 CG1 ILE A 4 6.677 -5.108 4.469 1.00 0.47 C ATOM 33 CG2 ILE A 4 4.634 -6.434 5.014 1.00 0.48 C ATOM 34 CD1 ILE A 4 6.446 -3.777 5.188 1.00 0.80 C ATOM 0 H ILE A 4 5.414 -4.878 1.370 1.00 0.26 H new ATOM 0 HA ILE A 4 6.342 -7.308 2.945 1.00 0.29 H new ATOM 0 HB ILE A 4 4.714 -4.800 3.613 1.00 0.37 H new ATOM 0 HG12 ILE A 4 7.111 -5.834 5.157 1.00 0.47 H new ATOM 0 HG13 ILE A 4 7.390 -4.974 3.655 1.00 0.47 H new ATOM 0 HG21 ILE A 4 4.446 -5.789 5.872 1.00 0.48 H new ATOM 0 HG22 ILE A 4 3.687 -6.813 4.630 1.00 0.48 H new ATOM 0 HG23 ILE A 4 5.262 -7.271 5.319 1.00 0.48 H new ATOM 0 HD11 ILE A 4 7.393 -3.405 5.578 1.00 0.80 H new ATOM 0 HD12 ILE A 4 6.032 -3.052 4.487 1.00 0.80 H new ATOM 0 HD13 ILE A 4 5.748 -3.925 6.012 1.00 0.80 H new ATOM 46 N LYS A 5 4.348 -8.548 2.218 1.00 0.29 N ATOM 47 CA LYS A 5 3.149 -9.315 1.754 1.00 0.30 C ATOM 48 C LYS A 5 1.879 -8.885 2.503 1.00 0.30 C ATOM 49 O LYS A 5 0.828 -8.724 1.904 1.00 0.36 O ATOM 50 CB LYS A 5 3.474 -10.784 2.046 1.00 0.37 C ATOM 51 CG LYS A 5 2.965 -11.655 0.894 1.00 0.39 C ATOM 52 CD LYS A 5 1.664 -12.348 1.312 1.00 0.43 C ATOM 53 CE LYS A 5 0.957 -12.901 0.072 1.00 0.46 C ATOM 54 NZ LYS A 5 -0.289 -13.543 0.589 1.00 0.46 N ATOM 0 H LYS A 5 5.143 -9.123 2.495 1.00 0.29 H new ATOM 0 HA LYS A 5 2.950 -9.137 0.697 1.00 0.30 H new ATOM 0 HB2 LYS A 5 4.550 -10.913 2.167 1.00 0.37 H new ATOM 0 HB3 LYS A 5 3.009 -11.092 2.983 1.00 0.37 H new ATOM 0 HG2 LYS A 5 2.795 -11.042 0.009 1.00 0.39 H new ATOM 0 HG3 LYS A 5 3.716 -12.399 0.627 1.00 0.39 H new ATOM 0 HD2 LYS A 5 1.879 -13.156 2.012 1.00 0.43 H new ATOM 0 HD3 LYS A 5 1.014 -11.642 1.830 1.00 0.43 H new ATOM 0 HE2 LYS A 5 0.726 -12.106 -0.637 1.00 0.46 H new ATOM 0 HE3 LYS A 5 1.585 -13.623 -0.451 1.00 0.46 H new ATOM 0 HZ1 LYS A 5 -0.819 -13.960 -0.203 1.00 0.46 H new ATOM 0 HZ2 LYS A 5 -0.039 -14.289 1.269 1.00 0.46 H new ATOM 0 HZ3 LYS A 5 -0.878 -12.827 1.061 1.00 0.46 H new ATOM 68 N ASN A 6 1.963 -8.708 3.798 1.00 0.31 N ATOM 69 CA ASN A 6 0.759 -8.300 4.584 1.00 0.34 C ATOM 70 C ASN A 6 1.085 -7.101 5.490 1.00 0.34 C ATOM 71 O ASN A 6 1.657 -7.253 6.552 1.00 0.48 O ATOM 72 CB ASN A 6 0.408 -9.538 5.416 1.00 0.43 C ATOM 73 CG ASN A 6 -0.796 -9.241 6.311 1.00 0.65 C ATOM 74 OD1 ASN A 6 -1.892 -9.017 5.829 1.00 0.54 O ATOM 75 ND2 ASN A 6 -0.645 -9.225 7.602 1.00 1.30 N ATOM 0 H ASN A 6 2.815 -8.829 4.345 1.00 0.31 H new ATOM 0 HA ASN A 6 -0.068 -7.984 3.948 1.00 0.34 H new ATOM 0 HB2 ASN A 6 0.184 -10.377 4.758 1.00 0.43 H new ATOM 0 HB3 ASN A 6 1.262 -9.831 6.026 1.00 0.43 H new ATOM 0 HD21 ASN A 6 -1.442 -9.026 8.206 1.00 1.30 H new ATOM 0 HD22 ASN A 6 0.271 -9.412 8.011 1.00 1.30 H new ATOM 82 N GLY A 7 0.720 -5.912 5.077 1.00 0.35 N ATOM 83 CA GLY A 7 1.003 -4.701 5.913 1.00 0.40 C ATOM 84 C GLY A 7 2.199 -3.939 5.339 1.00 0.36 C ATOM 85 O GLY A 7 3.250 -3.876 5.942 1.00 0.52 O ATOM 0 H GLY A 7 0.238 -5.726 4.197 1.00 0.35 H new ATOM 0 HA2 GLY A 7 0.127 -4.053 5.939 1.00 0.40 H new ATOM 0 HA3 GLY A 7 1.210 -4.998 6.941 1.00 0.40 H new ATOM 89 N GLY A 8 2.040 -3.350 4.182 1.00 0.27 N ATOM 90 CA GLY A 8 3.166 -2.577 3.564 1.00 0.28 C ATOM 91 C GLY A 8 2.746 -1.117 3.383 1.00 0.25 C ATOM 92 O GLY A 8 1.600 -0.766 3.595 1.00 0.29 O ATOM 0 H GLY A 8 1.179 -3.369 3.636 1.00 0.27 H new ATOM 0 HA2 GLY A 8 4.051 -2.636 4.197 1.00 0.28 H new ATOM 0 HA3 GLY A 8 3.433 -3.011 2.601 1.00 0.28 H new ATOM 96 N ARG A 9 3.653 -0.262 2.991 1.00 0.28 N ATOM 97 CA ARG A 9 3.292 1.179 2.798 1.00 0.28 C ATOM 98 C ARG A 9 3.247 1.533 1.302 1.00 0.27 C ATOM 99 O ARG A 9 4.144 1.203 0.552 1.00 0.32 O ATOM 100 CB ARG A 9 4.404 1.959 3.506 1.00 0.34 C ATOM 101 CG ARG A 9 3.877 3.332 3.927 1.00 0.41 C ATOM 102 CD ARG A 9 3.324 3.253 5.351 1.00 0.52 C ATOM 103 NE ARG A 9 2.111 4.121 5.338 1.00 0.56 N ATOM 104 CZ ARG A 9 2.080 5.209 6.043 1.00 0.72 C ATOM 105 NH1 ARG A 9 2.650 6.283 5.595 1.00 0.86 N ATOM 106 NH2 ARG A 9 1.483 5.221 7.192 1.00 0.91 N ATOM 0 H ARG A 9 4.627 -0.495 2.796 1.00 0.28 H new ATOM 0 HA ARG A 9 2.306 1.413 3.199 1.00 0.28 H new ATOM 0 HB2 ARG A 9 4.750 1.407 4.380 1.00 0.34 H new ATOM 0 HB3 ARG A 9 5.261 2.075 2.842 1.00 0.34 H new ATOM 0 HG2 ARG A 9 4.677 4.071 3.877 1.00 0.41 H new ATOM 0 HG3 ARG A 9 3.097 3.660 3.240 1.00 0.41 H new ATOM 0 HD2 ARG A 9 3.073 2.227 5.622 1.00 0.52 H new ATOM 0 HD3 ARG A 9 4.055 3.605 6.079 1.00 0.52 H new ATOM 0 HE ARG A 9 1.304 3.858 4.773 1.00 0.56 H new ATOM 0 HH11 ARG A 9 3.121 6.271 4.690 1.00 0.86 H new ATOM 0 HH12 ARG A 9 2.627 7.140 6.147 1.00 0.86 H new ATOM 0 HH21 ARG A 9 1.036 4.374 7.544 1.00 0.91 H new ATOM 0 HH22 ARG A 9 1.459 6.077 7.746 1.00 0.91 H new ATOM 120 N CYS A 10 2.208 2.205 0.863 1.00 0.23 N ATOM 121 CA CYS A 10 2.112 2.582 -0.588 1.00 0.24 C ATOM 122 C CYS A 10 1.320 3.886 -0.774 1.00 0.23 C ATOM 123 O CYS A 10 0.988 4.569 0.178 1.00 0.26 O ATOM 124 CB CYS A 10 1.381 1.415 -1.267 1.00 0.25 C ATOM 125 SG CYS A 10 -0.192 1.085 -0.423 1.00 0.24 S ATOM 0 H CYS A 10 1.425 2.508 1.442 1.00 0.23 H new ATOM 0 HA CYS A 10 3.099 2.755 -1.017 1.00 0.24 H new ATOM 0 HB2 CYS A 10 1.197 1.652 -2.315 1.00 0.25 H new ATOM 0 HB3 CYS A 10 2.007 0.523 -1.247 1.00 0.25 H new ATOM 130 N ASN A 11 1.015 4.223 -2.003 1.00 0.27 N ATOM 131 CA ASN A 11 0.235 5.466 -2.293 1.00 0.29 C ATOM 132 C ASN A 11 -0.414 5.355 -3.682 1.00 0.35 C ATOM 133 O ASN A 11 0.195 4.886 -4.626 1.00 0.42 O ATOM 134 CB ASN A 11 1.258 6.609 -2.255 1.00 0.30 C ATOM 135 CG ASN A 11 0.781 7.696 -1.289 1.00 0.38 C ATOM 136 OD1 ASN A 11 0.134 8.642 -1.686 1.00 0.58 O ATOM 137 ND2 ASN A 11 1.071 7.602 -0.026 1.00 0.52 N ATOM 0 H ASN A 11 1.277 3.683 -2.828 1.00 0.27 H new ATOM 0 HA ASN A 11 -0.568 5.632 -1.575 1.00 0.29 H new ATOM 0 HB2 ASN A 11 2.230 6.230 -1.940 1.00 0.30 H new ATOM 0 HB3 ASN A 11 1.388 7.027 -3.253 1.00 0.30 H new ATOM 0 HD21 ASN A 11 0.755 8.321 0.625 1.00 0.52 H new ATOM 0 HD22 ASN A 11 1.615 6.809 0.315 1.00 0.52 H new ATOM 144 N ALA A 12 -1.641 5.781 -3.810 1.00 0.40 N ATOM 145 CA ALA A 12 -2.344 5.701 -5.126 1.00 0.49 C ATOM 146 C ALA A 12 -1.988 6.916 -5.994 1.00 0.49 C ATOM 147 O ALA A 12 -2.841 7.693 -6.382 1.00 0.59 O ATOM 148 CB ALA A 12 -3.835 5.689 -4.772 1.00 0.59 C ATOM 0 H ALA A 12 -2.193 6.185 -3.053 1.00 0.40 H new ATOM 0 HA ALA A 12 -2.059 4.820 -5.701 1.00 0.49 H new ATOM 0 HB1 ALA A 12 -4.426 5.631 -5.686 1.00 0.59 H new ATOM 0 HB2 ALA A 12 -4.053 4.825 -4.144 1.00 0.59 H new ATOM 0 HB3 ALA A 12 -4.088 6.602 -4.233 1.00 0.59 H new ATOM 154 N SER A 13 -0.729 7.078 -6.301 1.00 0.44 N ATOM 155 CA SER A 13 -0.298 8.236 -7.149 1.00 0.48 C ATOM 156 C SER A 13 0.726 7.785 -8.203 1.00 0.43 C ATOM 157 O SER A 13 0.864 6.609 -8.488 1.00 0.50 O ATOM 158 CB SER A 13 0.332 9.233 -6.173 1.00 0.59 C ATOM 159 OG SER A 13 0.741 10.394 -6.893 1.00 0.72 O ATOM 0 H SER A 13 0.024 6.459 -6.002 1.00 0.44 H new ATOM 0 HA SER A 13 -1.133 8.674 -7.696 1.00 0.48 H new ATOM 0 HB2 SER A 13 -0.384 9.504 -5.397 1.00 0.59 H new ATOM 0 HB3 SER A 13 1.188 8.780 -5.672 1.00 0.59 H new ATOM 0 HG SER A 13 1.144 11.038 -6.274 1.00 0.72 H new ATOM 165 N ALA A 14 1.444 8.711 -8.784 1.00 0.49 N ATOM 166 CA ALA A 14 2.458 8.341 -9.818 1.00 0.53 C ATOM 167 C ALA A 14 3.842 8.164 -9.173 1.00 0.57 C ATOM 168 O ALA A 14 4.527 9.125 -8.875 1.00 0.93 O ATOM 169 CB ALA A 14 2.458 9.511 -10.807 1.00 0.62 C ATOM 0 H ALA A 14 1.372 9.709 -8.587 1.00 0.49 H new ATOM 0 HA ALA A 14 2.224 7.396 -10.309 1.00 0.53 H new ATOM 0 HB1 ALA A 14 3.179 9.317 -11.601 1.00 0.62 H new ATOM 0 HB2 ALA A 14 1.464 9.622 -11.240 1.00 0.62 H new ATOM 0 HB3 ALA A 14 2.731 10.428 -10.285 1.00 0.62 H new ATOM 175 N GLY A 15 4.254 6.941 -8.951 1.00 0.46 N ATOM 176 CA GLY A 15 5.592 6.699 -8.322 1.00 0.49 C ATOM 177 C GLY A 15 5.657 5.280 -7.746 1.00 0.46 C ATOM 178 O GLY A 15 6.328 4.425 -8.294 1.00 0.51 O ATOM 0 H GLY A 15 3.724 6.100 -9.177 1.00 0.46 H new ATOM 0 HA2 GLY A 15 6.380 6.835 -9.063 1.00 0.49 H new ATOM 0 HA3 GLY A 15 5.768 7.429 -7.532 1.00 0.49 H new ATOM 182 N PRO A 16 4.960 5.075 -6.650 1.00 0.44 N ATOM 183 CA PRO A 16 4.943 3.745 -5.991 1.00 0.45 C ATOM 184 C PRO A 16 4.236 2.700 -6.873 1.00 0.42 C ATOM 185 O PRO A 16 3.072 2.854 -7.201 1.00 0.49 O ATOM 186 CB PRO A 16 4.173 3.993 -4.693 1.00 0.51 C ATOM 187 CG PRO A 16 3.335 5.193 -4.980 1.00 0.52 C ATOM 188 CD PRO A 16 4.132 6.044 -5.929 1.00 0.49 C ATOM 0 HA PRO A 16 5.942 3.347 -5.814 1.00 0.45 H new ATOM 0 HB2 PRO A 16 3.558 3.134 -4.426 1.00 0.51 H new ATOM 0 HB3 PRO A 16 4.850 4.172 -3.858 1.00 0.51 H new ATOM 0 HG2 PRO A 16 2.381 4.905 -5.422 1.00 0.52 H new ATOM 0 HG3 PRO A 16 3.109 5.738 -4.064 1.00 0.52 H new ATOM 0 HD2 PRO A 16 3.486 6.601 -6.607 1.00 0.49 H new ATOM 0 HD3 PRO A 16 4.741 6.774 -5.397 1.00 0.49 H new ATOM 196 N PRO A 17 4.969 1.666 -7.228 1.00 0.40 N ATOM 197 CA PRO A 17 4.403 0.586 -8.081 1.00 0.42 C ATOM 198 C PRO A 17 3.440 -0.303 -7.273 1.00 0.35 C ATOM 199 O PRO A 17 3.001 0.054 -6.195 1.00 0.36 O ATOM 200 CB PRO A 17 5.639 -0.204 -8.517 1.00 0.52 C ATOM 201 CG PRO A 17 6.660 0.051 -7.456 1.00 0.53 C ATOM 202 CD PRO A 17 6.374 1.412 -6.880 1.00 0.46 C ATOM 0 HA PRO A 17 3.822 0.966 -8.921 1.00 0.42 H new ATOM 0 HB2 PRO A 17 5.417 -1.268 -8.602 1.00 0.52 H new ATOM 0 HB3 PRO A 17 5.994 0.127 -9.493 1.00 0.52 H new ATOM 0 HG2 PRO A 17 6.608 -0.713 -6.681 1.00 0.53 H new ATOM 0 HG3 PRO A 17 7.666 0.014 -7.874 1.00 0.53 H new ATOM 0 HD2 PRO A 17 6.525 1.427 -5.801 1.00 0.46 H new ATOM 0 HD3 PRO A 17 7.032 2.170 -7.305 1.00 0.46 H new ATOM 210 N TYR A 18 3.112 -1.458 -7.791 1.00 0.36 N ATOM 211 CA TYR A 18 2.178 -2.382 -7.065 1.00 0.33 C ATOM 212 C TYR A 18 2.727 -2.740 -5.669 1.00 0.26 C ATOM 213 O TYR A 18 3.921 -2.725 -5.432 1.00 0.31 O ATOM 214 CB TYR A 18 2.057 -3.635 -7.954 1.00 0.38 C ATOM 215 CG TYR A 18 3.424 -4.191 -8.296 1.00 0.44 C ATOM 216 CD1 TYR A 18 4.129 -4.945 -7.353 1.00 0.69 C ATOM 217 CD2 TYR A 18 3.977 -3.959 -9.561 1.00 0.69 C ATOM 218 CE1 TYR A 18 5.389 -5.469 -7.672 1.00 0.84 C ATOM 219 CE2 TYR A 18 5.238 -4.481 -9.880 1.00 0.87 C ATOM 220 CZ TYR A 18 5.945 -5.237 -8.935 1.00 0.84 C ATOM 221 OH TYR A 18 7.187 -5.756 -9.246 1.00 1.07 O ATOM 0 H TYR A 18 3.450 -1.806 -8.688 1.00 0.36 H new ATOM 0 HA TYR A 18 1.206 -1.918 -6.897 1.00 0.33 H new ATOM 0 HB2 TYR A 18 1.469 -4.395 -7.439 1.00 0.38 H new ATOM 0 HB3 TYR A 18 1.522 -3.385 -8.870 1.00 0.38 H new ATOM 0 HD1 TYR A 18 3.702 -5.124 -6.377 1.00 0.69 H new ATOM 0 HD2 TYR A 18 3.432 -3.378 -10.291 1.00 0.69 H new ATOM 0 HE1 TYR A 18 5.931 -6.052 -6.943 1.00 0.84 H new ATOM 0 HE2 TYR A 18 5.665 -4.300 -10.855 1.00 0.87 H new ATOM 0 HH TYR A 18 7.427 -5.504 -10.162 1.00 1.07 H new ATOM 231 N CYS A 19 1.852 -3.057 -4.742 1.00 0.22 N ATOM 232 CA CYS A 19 2.309 -3.415 -3.354 1.00 0.19 C ATOM 233 C CYS A 19 2.972 -4.802 -3.341 1.00 0.19 C ATOM 234 O CYS A 19 3.224 -5.384 -4.374 1.00 0.23 O ATOM 235 CB CYS A 19 1.041 -3.392 -2.494 1.00 0.20 C ATOM 236 SG CYS A 19 0.735 -1.696 -1.939 1.00 0.23 S ATOM 0 H CYS A 19 0.842 -3.084 -4.884 1.00 0.22 H new ATOM 0 HA CYS A 19 3.059 -2.720 -2.976 1.00 0.19 H new ATOM 0 HB2 CYS A 19 0.190 -3.759 -3.068 1.00 0.20 H new ATOM 0 HB3 CYS A 19 1.156 -4.054 -1.636 1.00 0.20 H new ATOM 241 N CYS A 20 3.280 -5.333 -2.182 1.00 0.18 N ATOM 242 CA CYS A 20 3.957 -6.673 -2.125 1.00 0.20 C ATOM 243 C CYS A 20 3.022 -7.818 -2.527 1.00 0.22 C ATOM 244 O CYS A 20 3.432 -8.744 -3.193 1.00 0.27 O ATOM 245 CB CYS A 20 4.382 -6.836 -0.676 1.00 0.21 C ATOM 246 SG CYS A 20 5.879 -7.853 -0.587 1.00 0.26 S ATOM 0 H CYS A 20 3.094 -4.902 -1.277 1.00 0.18 H new ATOM 0 HA CYS A 20 4.792 -6.713 -2.824 1.00 0.20 H new ATOM 0 HB2 CYS A 20 4.568 -5.859 -0.230 1.00 0.21 H new ATOM 0 HB3 CYS A 20 3.580 -7.301 -0.102 1.00 0.21 H new ATOM 251 N SER A 21 1.779 -7.772 -2.128 1.00 0.22 N ATOM 252 CA SER A 21 0.842 -8.878 -2.503 1.00 0.24 C ATOM 253 C SER A 21 -0.032 -8.426 -3.671 1.00 0.23 C ATOM 254 O SER A 21 0.170 -8.823 -4.804 1.00 0.28 O ATOM 255 CB SER A 21 -0.012 -9.137 -1.258 1.00 0.26 C ATOM 256 OG SER A 21 0.729 -9.906 -0.321 1.00 0.32 O ATOM 0 H SER A 21 1.372 -7.026 -1.564 1.00 0.22 H new ATOM 0 HA SER A 21 1.368 -9.781 -2.814 1.00 0.24 H new ATOM 0 HB2 SER A 21 -0.314 -8.191 -0.809 1.00 0.26 H new ATOM 0 HB3 SER A 21 -0.925 -9.664 -1.535 1.00 0.26 H new ATOM 0 HG SER A 21 0.516 -9.608 0.588 1.00 0.32 H new ATOM 262 N SER A 22 -0.994 -7.583 -3.399 1.00 0.21 N ATOM 263 CA SER A 22 -1.887 -7.072 -4.482 1.00 0.22 C ATOM 264 C SER A 22 -2.876 -6.014 -3.960 1.00 0.20 C ATOM 265 O SER A 22 -3.880 -5.746 -4.596 1.00 0.23 O ATOM 266 CB SER A 22 -2.647 -8.296 -4.998 1.00 0.26 C ATOM 267 OG SER A 22 -1.963 -8.839 -6.120 1.00 0.35 O ATOM 0 H SER A 22 -1.201 -7.224 -2.467 1.00 0.21 H new ATOM 0 HA SER A 22 -1.305 -6.583 -5.263 1.00 0.22 H new ATOM 0 HB2 SER A 22 -2.729 -9.045 -4.211 1.00 0.26 H new ATOM 0 HB3 SER A 22 -3.662 -8.016 -5.278 1.00 0.26 H new ATOM 0 HG SER A 22 -1.125 -9.251 -5.824 1.00 0.35 H new ATOM 273 N TYR A 23 -2.628 -5.410 -2.817 1.00 0.18 N ATOM 274 CA TYR A 23 -3.588 -4.391 -2.310 1.00 0.19 C ATOM 275 C TYR A 23 -2.869 -3.172 -1.732 1.00 0.18 C ATOM 276 O TYR A 23 -1.753 -3.258 -1.252 1.00 0.18 O ATOM 277 CB TYR A 23 -4.350 -5.098 -1.208 1.00 0.21 C ATOM 278 CG TYR A 23 -5.640 -4.357 -0.930 1.00 0.24 C ATOM 279 CD1 TYR A 23 -6.724 -4.481 -1.807 1.00 0.42 C ATOM 280 CD2 TYR A 23 -5.751 -3.539 0.202 1.00 0.36 C ATOM 281 CE1 TYR A 23 -7.916 -3.793 -1.550 1.00 0.48 C ATOM 282 CE2 TYR A 23 -6.943 -2.852 0.458 1.00 0.40 C ATOM 283 CZ TYR A 23 -8.024 -2.980 -0.418 1.00 0.38 C ATOM 284 OH TYR A 23 -9.197 -2.306 -0.166 1.00 0.47 O ATOM 0 H TYR A 23 -1.814 -5.580 -2.227 1.00 0.18 H new ATOM 0 HA TYR A 23 -4.228 -4.021 -3.111 1.00 0.19 H new ATOM 0 HB2 TYR A 23 -4.565 -6.126 -1.501 1.00 0.21 H new ATOM 0 HB3 TYR A 23 -3.743 -5.145 -0.304 1.00 0.21 H new ATOM 0 HD1 TYR A 23 -6.641 -5.108 -2.683 1.00 0.42 H new ATOM 0 HD2 TYR A 23 -4.915 -3.438 0.878 1.00 0.36 H new ATOM 0 HE1 TYR A 23 -8.752 -3.890 -2.226 1.00 0.48 H new ATOM 0 HE2 TYR A 23 -7.027 -2.223 1.332 1.00 0.40 H new ATOM 0 HH TYR A 23 -9.040 -1.619 0.515 1.00 0.47 H new ATOM 294 N CYS A 24 -3.540 -2.055 -1.749 1.00 0.20 N ATOM 295 CA CYS A 24 -2.980 -0.790 -1.184 1.00 0.20 C ATOM 296 C CYS A 24 -4.148 0.083 -0.697 1.00 0.21 C ATOM 297 O CYS A 24 -5.035 0.415 -1.459 1.00 0.32 O ATOM 298 CB CYS A 24 -2.234 -0.112 -2.338 1.00 0.23 C ATOM 299 SG CYS A 24 -1.607 1.505 -1.804 1.00 0.26 S ATOM 0 H CYS A 24 -4.477 -1.961 -2.140 1.00 0.20 H new ATOM 0 HA CYS A 24 -2.310 -0.959 -0.341 1.00 0.20 H new ATOM 0 HB2 CYS A 24 -1.407 -0.741 -2.668 1.00 0.23 H new ATOM 0 HB3 CYS A 24 -2.901 0.011 -3.191 1.00 0.23 H new ATOM 304 N PHE A 25 -4.177 0.419 0.563 1.00 0.21 N ATOM 305 CA PHE A 25 -5.308 1.232 1.110 1.00 0.23 C ATOM 306 C PHE A 25 -4.826 2.617 1.547 1.00 0.21 C ATOM 307 O PHE A 25 -4.053 2.732 2.476 1.00 0.25 O ATOM 308 CB PHE A 25 -5.755 0.437 2.329 1.00 0.28 C ATOM 309 CG PHE A 25 -7.239 0.615 2.547 1.00 0.34 C ATOM 310 CD1 PHE A 25 -8.152 0.092 1.623 1.00 0.38 C ATOM 311 CD2 PHE A 25 -7.700 1.306 3.672 1.00 0.52 C ATOM 312 CE1 PHE A 25 -9.526 0.259 1.828 1.00 0.44 C ATOM 313 CE2 PHE A 25 -9.074 1.473 3.877 1.00 0.61 C ATOM 314 CZ PHE A 25 -9.988 0.950 2.955 1.00 0.51 C ATOM 0 H PHE A 25 -3.462 0.165 1.245 1.00 0.21 H new ATOM 0 HA PHE A 25 -6.098 1.395 0.377 1.00 0.23 H new ATOM 0 HB2 PHE A 25 -5.524 -0.619 2.189 1.00 0.28 H new ATOM 0 HB3 PHE A 25 -5.207 0.769 3.211 1.00 0.28 H new ATOM 0 HD1 PHE A 25 -7.796 -0.440 0.753 1.00 0.38 H new ATOM 0 HD2 PHE A 25 -6.995 1.711 4.383 1.00 0.52 H new ATOM 0 HE1 PHE A 25 -10.231 -0.145 1.117 1.00 0.44 H new ATOM 0 HE2 PHE A 25 -9.429 2.006 4.747 1.00 0.61 H new ATOM 0 HZ PHE A 25 -11.049 1.079 3.113 1.00 0.51 H new ATOM 324 N GLN A 26 -5.274 3.663 0.906 1.00 0.26 N ATOM 325 CA GLN A 26 -4.826 5.034 1.309 1.00 0.27 C ATOM 326 C GLN A 26 -6.026 5.953 1.577 1.00 0.29 C ATOM 327 O GLN A 26 -7.068 5.833 0.958 1.00 0.39 O ATOM 328 CB GLN A 26 -4.000 5.533 0.124 1.00 0.40 C ATOM 329 CG GLN A 26 -3.760 7.039 0.268 1.00 0.60 C ATOM 330 CD GLN A 26 -3.017 7.581 -0.956 1.00 0.41 C ATOM 331 OE1 GLN A 26 -2.540 6.830 -1.779 1.00 0.63 O ATOM 332 NE2 GLN A 26 -2.900 8.866 -1.112 1.00 0.87 N ATOM 0 H GLN A 26 -5.928 3.631 0.124 1.00 0.26 H new ATOM 0 HA GLN A 26 -4.251 5.024 2.235 1.00 0.27 H new ATOM 0 HB2 GLN A 26 -3.048 5.004 0.082 1.00 0.40 H new ATOM 0 HB3 GLN A 26 -4.521 5.325 -0.810 1.00 0.40 H new ATOM 0 HG2 GLN A 26 -4.713 7.556 0.381 1.00 0.60 H new ATOM 0 HG3 GLN A 26 -3.181 7.237 1.170 1.00 0.60 H new ATOM 0 HE21 GLN A 26 -3.300 9.502 -0.422 1.00 0.87 H new ATOM 0 HE22 GLN A 26 -2.408 9.238 -1.924 1.00 0.87 H new ATOM 341 N ILE A 27 -5.878 6.873 2.498 1.00 0.27 N ATOM 342 CA ILE A 27 -7.002 7.809 2.821 1.00 0.38 C ATOM 343 C ILE A 27 -6.508 9.264 2.866 1.00 0.47 C ATOM 344 O ILE A 27 -5.319 9.535 2.831 1.00 0.45 O ATOM 345 CB ILE A 27 -7.562 7.389 4.193 1.00 0.46 C ATOM 346 CG1 ILE A 27 -6.791 6.191 4.773 1.00 0.57 C ATOM 347 CG2 ILE A 27 -9.034 7.004 4.026 1.00 0.56 C ATOM 348 CD1 ILE A 27 -7.372 5.813 6.140 1.00 0.73 C ATOM 0 H ILE A 27 -5.027 7.017 3.041 1.00 0.27 H new ATOM 0 HA ILE A 27 -7.774 7.756 2.053 1.00 0.38 H new ATOM 0 HB ILE A 27 -7.455 8.227 4.882 1.00 0.46 H new ATOM 0 HG12 ILE A 27 -6.855 5.342 4.093 1.00 0.57 H new ATOM 0 HG13 ILE A 27 -5.735 6.440 4.873 1.00 0.57 H new ATOM 0 HG21 ILE A 27 -9.443 6.704 4.991 1.00 0.56 H new ATOM 0 HG22 ILE A 27 -9.593 7.859 3.645 1.00 0.56 H new ATOM 0 HG23 ILE A 27 -9.116 6.174 3.324 1.00 0.56 H new ATOM 0 HD11 ILE A 27 -6.823 4.964 6.547 1.00 0.73 H new ATOM 0 HD12 ILE A 27 -7.285 6.661 6.819 1.00 0.73 H new ATOM 0 HD13 ILE A 27 -8.423 5.545 6.027 1.00 0.73 H new ATOM 360 N ALA A 28 -7.421 10.200 2.932 1.00 0.64 N ATOM 361 CA ALA A 28 -7.031 11.644 2.966 1.00 0.78 C ATOM 362 C ALA A 28 -6.617 12.077 4.383 1.00 0.82 C ATOM 363 O ALA A 28 -7.012 11.486 5.371 1.00 0.90 O ATOM 364 CB ALA A 28 -8.281 12.401 2.511 1.00 1.01 C ATOM 0 H ALA A 28 -8.425 10.026 2.964 1.00 0.64 H new ATOM 0 HA ALA A 28 -6.171 11.845 2.327 1.00 0.78 H new ATOM 0 HB1 ALA A 28 -8.077 13.472 2.508 1.00 1.01 H new ATOM 0 HB2 ALA A 28 -8.554 12.081 1.505 1.00 1.01 H new ATOM 0 HB3 ALA A 28 -9.103 12.190 3.195 1.00 1.01 H new ATOM 370 N GLY A 29 -5.811 13.103 4.473 1.00 0.88 N ATOM 371 CA GLY A 29 -5.338 13.597 5.804 1.00 0.98 C ATOM 372 C GLY A 29 -3.815 13.684 5.774 1.00 0.80 C ATOM 373 O GLY A 29 -3.229 14.671 6.169 1.00 0.87 O ATOM 0 H GLY A 29 -5.456 13.626 3.673 1.00 0.88 H new ATOM 0 HA2 GLY A 29 -5.769 14.574 6.020 1.00 0.98 H new ATOM 0 HA3 GLY A 29 -5.663 12.923 6.596 1.00 0.98 H new ATOM 377 N GLN A 30 -3.176 12.650 5.298 1.00 0.61 N ATOM 378 CA GLN A 30 -1.682 12.649 5.225 1.00 0.48 C ATOM 379 C GLN A 30 -1.170 12.040 3.900 1.00 0.36 C ATOM 380 O GLN A 30 0.023 12.005 3.660 1.00 0.36 O ATOM 381 CB GLN A 30 -1.246 11.795 6.414 1.00 0.57 C ATOM 382 CG GLN A 30 0.162 12.211 6.851 1.00 0.76 C ATOM 383 CD GLN A 30 0.990 10.977 7.224 1.00 0.72 C ATOM 384 OE1 GLN A 30 0.665 9.865 6.856 1.00 1.00 O ATOM 385 NE2 GLN A 30 2.061 11.125 7.944 1.00 1.47 N ATOM 0 H GLN A 30 -3.624 11.801 4.954 1.00 0.61 H new ATOM 0 HA GLN A 30 -1.276 13.660 5.257 1.00 0.48 H new ATOM 0 HB2 GLN A 30 -1.946 11.918 7.240 1.00 0.57 H new ATOM 0 HB3 GLN A 30 -1.257 10.740 6.141 1.00 0.57 H new ATOM 0 HG2 GLN A 30 0.653 12.757 6.046 1.00 0.76 H new ATOM 0 HG3 GLN A 30 0.100 12.887 7.704 1.00 0.76 H new ATOM 0 HE21 GLN A 30 2.341 12.055 8.257 1.00 1.47 H new ATOM 0 HE22 GLN A 30 2.622 10.312 8.196 1.00 1.47 H new ATOM 394 N SER A 31 -2.051 11.554 3.044 1.00 0.37 N ATOM 395 CA SER A 31 -1.612 10.942 1.745 1.00 0.41 C ATOM 396 C SER A 31 -0.794 9.673 2.009 1.00 0.34 C ATOM 397 O SER A 31 0.302 9.505 1.507 1.00 0.42 O ATOM 398 CB SER A 31 -0.764 12.005 1.041 1.00 0.52 C ATOM 399 OG SER A 31 -0.789 11.766 -0.362 1.00 0.73 O ATOM 0 H SER A 31 -3.060 11.557 3.194 1.00 0.37 H new ATOM 0 HA SER A 31 -2.462 10.649 1.128 1.00 0.41 H new ATOM 0 HB2 SER A 31 -1.151 13.000 1.260 1.00 0.52 H new ATOM 0 HB3 SER A 31 0.261 11.973 1.410 1.00 0.52 H new ATOM 0 HG SER A 31 -0.249 12.444 -0.819 1.00 0.73 H new ATOM 405 N TYR A 32 -1.328 8.773 2.794 1.00 0.29 N ATOM 406 CA TYR A 32 -0.589 7.508 3.099 1.00 0.34 C ATOM 407 C TYR A 32 -1.452 6.275 2.778 1.00 0.35 C ATOM 408 O TYR A 32 -2.622 6.215 3.109 1.00 0.38 O ATOM 409 CB TYR A 32 -0.249 7.590 4.595 1.00 0.38 C ATOM 410 CG TYR A 32 -1.489 7.422 5.446 1.00 0.36 C ATOM 411 CD1 TYR A 32 -2.339 8.510 5.671 1.00 0.37 C ATOM 412 CD2 TYR A 32 -1.775 6.180 6.025 1.00 0.54 C ATOM 413 CE1 TYR A 32 -3.475 8.357 6.475 1.00 0.45 C ATOM 414 CE2 TYR A 32 -2.914 6.026 6.826 1.00 0.62 C ATOM 415 CZ TYR A 32 -3.763 7.115 7.053 1.00 0.54 C ATOM 416 OH TYR A 32 -4.880 6.962 7.847 1.00 0.67 O ATOM 0 H TYR A 32 -2.243 8.858 3.237 1.00 0.29 H new ATOM 0 HA TYR A 32 0.311 7.403 2.493 1.00 0.34 H new ATOM 0 HB2 TYR A 32 0.477 6.818 4.849 1.00 0.38 H new ATOM 0 HB3 TYR A 32 0.218 8.551 4.813 1.00 0.38 H new ATOM 0 HD1 TYR A 32 -2.119 9.468 5.224 1.00 0.37 H new ATOM 0 HD2 TYR A 32 -1.118 5.340 5.854 1.00 0.54 H new ATOM 0 HE1 TYR A 32 -4.130 9.198 6.649 1.00 0.45 H new ATOM 0 HE2 TYR A 32 -3.137 5.066 7.269 1.00 0.62 H new ATOM 0 HH TYR A 32 -4.930 6.037 8.166 1.00 0.67 H new ATOM 426 N GLY A 33 -0.875 5.296 2.122 1.00 0.41 N ATOM 427 CA GLY A 33 -1.646 4.064 1.768 1.00 0.47 C ATOM 428 C GLY A 33 -0.970 2.832 2.372 1.00 0.42 C ATOM 429 O GLY A 33 0.239 2.792 2.532 1.00 0.53 O ATOM 0 H GLY A 33 0.098 5.298 1.817 1.00 0.41 H new ATOM 0 HA2 GLY A 33 -2.668 4.146 2.138 1.00 0.47 H new ATOM 0 HA3 GLY A 33 -1.706 3.961 0.684 1.00 0.47 H new ATOM 433 N VAL A 34 -1.734 1.821 2.705 1.00 0.29 N ATOM 434 CA VAL A 34 -1.120 0.588 3.297 1.00 0.27 C ATOM 435 C VAL A 34 -1.362 -0.612 2.376 1.00 0.22 C ATOM 436 O VAL A 34 -2.428 -0.768 1.815 1.00 0.22 O ATOM 437 CB VAL A 34 -1.799 0.387 4.663 1.00 0.33 C ATOM 438 CG1 VAL A 34 -1.458 1.560 5.583 1.00 0.46 C ATOM 439 CG2 VAL A 34 -3.320 0.308 4.497 1.00 0.36 C ATOM 0 H VAL A 34 -2.748 1.794 2.595 1.00 0.29 H new ATOM 0 HA VAL A 34 -0.041 0.686 3.413 1.00 0.27 H new ATOM 0 HB VAL A 34 -1.437 -0.545 5.098 1.00 0.33 H new ATOM 0 HG11 VAL A 34 -1.940 1.416 6.550 1.00 0.46 H new ATOM 0 HG12 VAL A 34 -0.378 1.613 5.720 1.00 0.46 H new ATOM 0 HG13 VAL A 34 -1.813 2.488 5.136 1.00 0.46 H new ATOM 0 HG21 VAL A 34 -3.786 0.166 5.472 1.00 0.36 H new ATOM 0 HG22 VAL A 34 -3.686 1.233 4.052 1.00 0.36 H new ATOM 0 HG23 VAL A 34 -3.572 -0.531 3.849 1.00 0.36 H new ATOM 449 N CYS A 35 -0.383 -1.459 2.203 1.00 0.21 N ATOM 450 CA CYS A 35 -0.570 -2.634 1.301 1.00 0.18 C ATOM 451 C CYS A 35 -1.152 -3.820 2.059 1.00 0.18 C ATOM 452 O CYS A 35 -1.024 -3.940 3.264 1.00 0.21 O ATOM 453 CB CYS A 35 0.812 -3.008 0.784 1.00 0.20 C ATOM 454 SG CYS A 35 1.554 -1.611 -0.092 1.00 0.23 S ATOM 0 H CYS A 35 0.534 -1.390 2.644 1.00 0.21 H new ATOM 0 HA CYS A 35 -1.259 -2.383 0.495 1.00 0.18 H new ATOM 0 HB2 CYS A 35 1.451 -3.305 1.616 1.00 0.20 H new ATOM 0 HB3 CYS A 35 0.738 -3.867 0.117 1.00 0.20 H new ATOM 459 N LYS A 36 -1.781 -4.696 1.341 1.00 0.19 N ATOM 460 CA LYS A 36 -2.394 -5.907 1.966 1.00 0.21 C ATOM 461 C LYS A 36 -2.374 -7.088 0.982 1.00 0.21 C ATOM 462 O LYS A 36 -1.914 -6.961 -0.141 1.00 0.23 O ATOM 463 CB LYS A 36 -3.823 -5.484 2.273 1.00 0.25 C ATOM 464 CG LYS A 36 -3.966 -5.192 3.767 1.00 0.35 C ATOM 465 CD LYS A 36 -4.027 -6.506 4.546 1.00 0.44 C ATOM 466 CE LYS A 36 -3.460 -6.293 5.950 1.00 0.44 C ATOM 467 NZ LYS A 36 -3.659 -7.599 6.641 1.00 0.48 N ATOM 0 H LYS A 36 -1.902 -4.630 0.330 1.00 0.19 H new ATOM 0 HA LYS A 36 -1.858 -6.239 2.855 1.00 0.21 H new ATOM 0 HB2 LYS A 36 -4.082 -4.598 1.693 1.00 0.25 H new ATOM 0 HB3 LYS A 36 -4.517 -6.272 1.979 1.00 0.25 H new ATOM 0 HG2 LYS A 36 -3.124 -4.592 4.112 1.00 0.35 H new ATOM 0 HG3 LYS A 36 -4.869 -4.608 3.948 1.00 0.35 H new ATOM 0 HD2 LYS A 36 -5.057 -6.857 4.608 1.00 0.44 H new ATOM 0 HD3 LYS A 36 -3.458 -7.276 4.026 1.00 0.44 H new ATOM 0 HE2 LYS A 36 -2.405 -6.021 5.914 1.00 0.44 H new ATOM 0 HE3 LYS A 36 -3.979 -5.487 6.469 1.00 0.44 H new ATOM 0 HZ1 LYS A 36 -3.638 -7.454 7.671 1.00 0.48 H new ATOM 0 HZ2 LYS A 36 -4.578 -8.000 6.367 1.00 0.48 H new ATOM 0 HZ3 LYS A 36 -2.900 -8.255 6.368 1.00 0.48 H new ATOM 481 N ASN A 37 -2.875 -8.231 1.393 1.00 0.25 N ATOM 482 CA ASN A 37 -2.895 -9.426 0.483 1.00 0.28 C ATOM 483 C ASN A 37 -3.623 -9.087 -0.831 1.00 0.27 C ATOM 484 O ASN A 37 -3.030 -9.089 -1.893 1.00 0.30 O ATOM 485 CB ASN A 37 -3.654 -10.511 1.259 1.00 0.35 C ATOM 486 CG ASN A 37 -2.673 -11.319 2.113 1.00 0.42 C ATOM 487 OD1 ASN A 37 -1.761 -11.937 1.596 1.00 0.44 O ATOM 488 ND2 ASN A 37 -2.818 -11.344 3.405 1.00 0.63 N ATOM 0 H ASN A 37 -3.271 -8.389 2.320 1.00 0.25 H new ATOM 0 HA ASN A 37 -1.891 -9.751 0.211 1.00 0.28 H new ATOM 0 HB2 ASN A 37 -4.412 -10.054 1.894 1.00 0.35 H new ATOM 0 HB3 ASN A 37 -4.175 -11.170 0.565 1.00 0.35 H new ATOM 0 HD21 ASN A 37 -2.169 -11.880 3.981 1.00 0.63 H new ATOM 0 HD22 ASN A 37 -3.581 -10.828 3.843 1.00 0.63 H new ATOM 495 N ARG A 38 -4.894 -8.779 -0.758 1.00 0.29 N ATOM 496 CA ARG A 38 -5.664 -8.420 -1.982 1.00 0.31 C ATOM 497 C ARG A 38 -6.996 -7.753 -1.605 1.00 0.38 C ATOM 498 CB ARG A 38 -5.910 -9.740 -2.720 1.00 0.36 C ATOM 499 CG ARG A 38 -5.498 -9.585 -4.187 1.00 0.39 C ATOM 500 CD ARG A 38 -6.724 -9.250 -5.042 1.00 0.44 C ATOM 501 NE ARG A 38 -6.926 -7.778 -4.875 1.00 0.38 N ATOM 502 CZ ARG A 38 -6.839 -6.980 -5.894 1.00 0.37 C ATOM 503 NH1 ARG A 38 -7.756 -7.009 -6.809 1.00 0.47 N ATOM 504 NH2 ARG A 38 -5.848 -6.150 -5.992 1.00 0.36 N ATOM 0 H ARG A 38 -5.434 -8.762 0.107 1.00 0.29 H new ATOM 0 HA ARG A 38 -5.121 -7.709 -2.605 1.00 0.31 H new ATOM 0 HB2 ARG A 38 -5.339 -10.543 -2.253 1.00 0.36 H new ATOM 0 HB3 ARG A 38 -6.962 -10.016 -2.653 1.00 0.36 H new ATOM 0 HG2 ARG A 38 -4.751 -8.797 -4.282 1.00 0.39 H new ATOM 0 HG3 ARG A 38 -5.036 -10.506 -4.543 1.00 0.39 H new ATOM 0 HD2 ARG A 38 -6.558 -9.509 -6.088 1.00 0.44 H new ATOM 0 HD3 ARG A 38 -7.600 -9.808 -4.711 1.00 0.44 H new ATOM 0 HE ARG A 38 -7.134 -7.398 -3.952 1.00 0.38 H new ATOM 0 HH11 ARG A 38 -8.540 -7.656 -6.725 1.00 0.47 H new ATOM 0 HH12 ARG A 38 -7.694 -6.384 -7.613 1.00 0.47 H new ATOM 0 HH21 ARG A 38 -5.132 -6.122 -5.266 1.00 0.36 H new ATOM 0 HH22 ARG A 38 -5.784 -5.525 -6.795 1.00 0.36 H new TER 518 ARG A 38