USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 319 hydrogens (1 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 ARG N :NH3+ -179:sc= 0 (180deg=-0.000445) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 159:sc= -0.0358 (180deg=-0.261) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.566) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.092 F(o=-1.2,f=-0.092) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 82:sc= 1.22 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.541 0.793 -2.131 1.00 63.12 N ATOM 2 CA ARG A 1 3.001 0.105 -3.332 1.00 34.45 C ATOM 3 C ARG A 1 2.219 -1.188 -3.550 1.00 1.41 C ATOM 4 O ARG A 1 1.738 -1.455 -4.651 1.00 13.31 O ATOM 5 CB ARG A 1 4.496 -0.202 -3.229 1.00 32.34 C ATOM 6 CG ARG A 1 5.243 -0.036 -4.542 1.00 24.35 C ATOM 7 CD ARG A 1 6.194 -1.197 -4.792 1.00 12.31 C ATOM 8 NE ARG A 1 7.348 -0.796 -5.592 1.00 2.03 N ATOM 9 CZ ARG A 1 8.238 -1.653 -6.079 1.00 70.50 C ATOM 10 NH1 ARG A 1 8.106 -2.953 -5.850 1.00 2.34 N ATOM 11 NH2 ARG A 1 9.262 -1.212 -6.798 1.00 40.11 N ATOM 0 H1 ARG A 1 3.075 1.678 -2.012 1.00 63.12 H new ATOM 0 H2 ARG A 1 1.528 1.009 -2.221 1.00 63.12 H new ATOM 0 H3 ARG A 1 2.692 0.183 -1.302 1.00 63.12 H new ATOM 0 HA ARG A 1 2.830 0.762 -4.185 1.00 34.45 H new ATOM 0 HB2 ARG A 1 4.942 0.454 -2.481 1.00 32.34 H new ATOM 0 HB3 ARG A 1 4.625 -1.225 -2.874 1.00 32.34 H new ATOM 0 HG2 ARG A 1 4.529 0.034 -5.362 1.00 24.35 H new ATOM 0 HG3 ARG A 1 5.804 0.899 -4.527 1.00 24.35 H new ATOM 0 HD2 ARG A 1 6.536 -1.598 -3.838 1.00 12.31 H new ATOM 0 HD3 ARG A 1 5.661 -1.999 -5.302 1.00 12.31 H new ATOM 0 HE ARG A 1 7.478 0.197 -5.787 1.00 2.03 H new ATOM 0 HH11 ARG A 1 7.320 -3.296 -5.299 1.00 2.34 H new ATOM 0 HH12 ARG A 1 8.791 -3.609 -6.225 1.00 2.34 H new ATOM 0 HH21 ARG A 1 9.367 -0.213 -6.977 1.00 40.11 H new ATOM 0 HH22 ARG A 1 9.945 -1.872 -7.171 1.00 40.11 H new ATOM 25 N TRP A 2 2.098 -1.985 -2.495 1.00 2.12 N ATOM 26 CA TRP A 2 1.376 -3.250 -2.572 1.00 13.45 C ATOM 27 C TRP A 2 0.207 -3.269 -1.592 1.00 63.32 C ATOM 28 O TRP A 2 -0.873 -3.767 -1.909 1.00 33.41 O ATOM 29 CB TRP A 2 2.319 -4.418 -2.282 1.00 64.14 C ATOM 30 CG TRP A 2 3.122 -4.842 -3.475 1.00 20.51 C ATOM 31 CD1 TRP A 2 4.481 -4.807 -3.603 1.00 23.04 C ATOM 32 CD2 TRP A 2 2.615 -5.364 -4.708 1.00 34.11 C ATOM 33 NE1 TRP A 2 4.849 -5.275 -4.841 1.00 24.21 N ATOM 34 CE2 TRP A 2 3.723 -5.624 -5.538 1.00 31.24 C ATOM 35 CE3 TRP A 2 1.332 -5.639 -5.191 1.00 5.20 C ATOM 36 CZ2 TRP A 2 3.585 -6.144 -6.822 1.00 0.20 C ATOM 37 CZ3 TRP A 2 1.197 -6.154 -6.466 1.00 64.10 C ATOM 38 CH2 TRP A 2 2.318 -6.403 -7.269 1.00 61.14 C ATOM 0 H TRP A 2 2.490 -1.778 -1.576 1.00 2.12 H new ATOM 0 HA TRP A 2 0.981 -3.354 -3.583 1.00 13.45 H new ATOM 0 HB2 TRP A 2 2.998 -4.137 -1.477 1.00 64.14 H new ATOM 0 HB3 TRP A 2 1.736 -5.267 -1.925 1.00 64.14 H new ATOM 0 HD1 TRP A 2 5.166 -4.462 -2.843 1.00 23.04 H new ATOM 0 HE1 TRP A 2 5.806 -5.350 -5.185 1.00 24.21 H new ATOM 0 HE3 TRP A 2 0.462 -5.452 -4.579 1.00 5.20 H new ATOM 0 HZ2 TRP A 2 4.447 -6.336 -7.443 1.00 0.20 H new ATOM 0 HZ3 TRP A 2 0.211 -6.368 -6.850 1.00 64.10 H new ATOM 0 HH2 TRP A 2 2.179 -6.807 -8.261 1.00 61.14 H new ATOM 49 N LYS A 3 0.430 -2.724 -0.401 1.00 60.50 N ATOM 50 CA LYS A 3 -0.605 -2.678 0.625 1.00 3.21 C ATOM 51 C LYS A 3 -1.871 -2.015 0.092 1.00 44.24 C ATOM 52 O LYS A 3 -2.908 -2.663 -0.054 1.00 4.34 O ATOM 53 CB LYS A 3 -0.099 -1.920 1.855 1.00 42.13 C ATOM 54 CG LYS A 3 0.666 -2.792 2.835 1.00 65.34 C ATOM 55 CD LYS A 3 -0.267 -3.692 3.627 1.00 11.22 C ATOM 56 CE LYS A 3 0.216 -5.134 3.628 1.00 72.13 C ATOM 57 NZ LYS A 3 -0.748 -6.041 4.310 1.00 22.35 N ATOM 0 H LYS A 3 1.319 -2.308 -0.122 1.00 60.50 H new ATOM 0 HA LYS A 3 -0.845 -3.702 0.910 1.00 3.21 H new ATOM 0 HB2 LYS A 3 0.545 -1.104 1.529 1.00 42.13 H new ATOM 0 HB3 LYS A 3 -0.948 -1.470 2.369 1.00 42.13 H new ATOM 0 HG2 LYS A 3 1.388 -3.402 2.293 1.00 65.34 H new ATOM 0 HG3 LYS A 3 1.232 -2.161 3.520 1.00 65.34 H new ATOM 0 HD2 LYS A 3 -0.339 -3.331 4.653 1.00 11.22 H new ATOM 0 HD3 LYS A 3 -1.269 -3.643 3.201 1.00 11.22 H new ATOM 0 HE2 LYS A 3 0.365 -5.468 2.601 1.00 72.13 H new ATOM 0 HE3 LYS A 3 1.184 -5.192 4.126 1.00 72.13 H new ATOM 0 HZ1 LYS A 3 -0.383 -7.015 4.290 1.00 22.35 H new ATOM 0 HZ2 LYS A 3 -0.871 -5.738 5.297 1.00 22.35 H new ATOM 0 HZ3 LYS A 3 -1.665 -6.005 3.820 1.00 22.35 H new ATOM 71 N ILE A 4 -1.778 -0.722 -0.200 1.00 0.32 N ATOM 72 CA ILE A 4 -2.915 0.027 -0.720 1.00 34.02 C ATOM 73 C ILE A 4 -3.524 -0.670 -1.932 1.00 14.22 C ATOM 74 O ILE A 4 -4.734 -0.891 -1.991 1.00 71.12 O ATOM 75 CB ILE A 4 -2.513 1.460 -1.114 1.00 41.32 C ATOM 76 CG1 ILE A 4 -1.794 2.149 0.047 1.00 10.54 C ATOM 77 CG2 ILE A 4 -3.739 2.258 -1.534 1.00 4.12 C ATOM 78 CD1 ILE A 4 -0.333 2.431 -0.228 1.00 35.03 C ATOM 0 H ILE A 4 -0.927 -0.172 -0.085 1.00 0.32 H new ATOM 0 HA ILE A 4 -3.655 0.073 0.079 1.00 34.02 H new ATOM 0 HB ILE A 4 -1.829 1.410 -1.961 1.00 41.32 H new ATOM 0 HG12 ILE A 4 -2.301 3.088 0.272 1.00 10.54 H new ATOM 0 HG13 ILE A 4 -1.874 1.523 0.936 1.00 10.54 H new ATOM 0 HG21 ILE A 4 -3.438 3.269 -1.810 1.00 4.12 H new ATOM 0 HG22 ILE A 4 -4.213 1.775 -2.389 1.00 4.12 H new ATOM 0 HG23 ILE A 4 -4.445 2.303 -0.705 1.00 4.12 H new ATOM 0 HD11 ILE A 4 0.112 2.920 0.638 1.00 35.03 H new ATOM 0 HD12 ILE A 4 0.188 1.494 -0.423 1.00 35.03 H new ATOM 0 HD13 ILE A 4 -0.246 3.083 -1.097 1.00 35.03 H new ATOM 90 N PHE A 5 -2.678 -1.015 -2.896 1.00 41.03 N ATOM 91 CA PHE A 5 -3.132 -1.688 -4.107 1.00 73.15 C ATOM 92 C PHE A 5 -3.957 -2.926 -3.765 1.00 41.43 C ATOM 93 O PHE A 5 -5.148 -2.996 -4.069 1.00 11.25 O ATOM 94 CB PHE A 5 -1.936 -2.083 -4.976 1.00 53.44 C ATOM 95 CG PHE A 5 -2.027 -1.576 -6.387 1.00 54.04 C ATOM 96 CD1 PHE A 5 -2.197 -0.225 -6.643 1.00 14.11 C ATOM 97 CD2 PHE A 5 -1.944 -2.451 -7.458 1.00 64.14 C ATOM 98 CE1 PHE A 5 -2.281 0.245 -7.940 1.00 73.32 C ATOM 99 CE2 PHE A 5 -2.026 -1.987 -8.758 1.00 34.43 C ATOM 100 CZ PHE A 5 -2.197 -0.638 -8.999 1.00 23.01 C ATOM 0 H PHE A 5 -1.674 -0.840 -2.862 1.00 41.03 H new ATOM 0 HA PHE A 5 -3.763 -0.994 -4.663 1.00 73.15 H new ATOM 0 HB2 PHE A 5 -1.023 -1.701 -4.519 1.00 53.44 H new ATOM 0 HB3 PHE A 5 -1.853 -3.170 -4.993 1.00 53.44 H new ATOM 0 HD1 PHE A 5 -2.265 0.470 -5.819 1.00 14.11 H new ATOM 0 HD2 PHE A 5 -1.814 -3.507 -7.275 1.00 64.14 H new ATOM 0 HE1 PHE A 5 -2.412 1.301 -8.125 1.00 73.32 H new ATOM 0 HE2 PHE A 5 -1.956 -2.679 -9.584 1.00 34.43 H new ATOM 0 HZ PHE A 5 -2.265 -0.274 -10.014 1.00 23.01 H new ATOM 110 N LYS A 6 -3.314 -3.901 -3.132 1.00 11.21 N ATOM 111 CA LYS A 6 -3.986 -5.136 -2.747 1.00 24.42 C ATOM 112 C LYS A 6 -5.247 -4.842 -1.942 1.00 13.22 C ATOM 113 O LYS A 6 -6.285 -5.474 -2.141 1.00 52.50 O ATOM 114 CB LYS A 6 -3.041 -6.021 -1.929 1.00 53.24 C ATOM 115 CG LYS A 6 -1.953 -6.679 -2.760 1.00 33.20 C ATOM 116 CD LYS A 6 -2.335 -8.095 -3.157 1.00 21.51 C ATOM 117 CE LYS A 6 -1.105 -8.959 -3.392 1.00 0.10 C ATOM 118 NZ LYS A 6 -0.384 -9.254 -2.123 1.00 44.01 N ATOM 0 H LYS A 6 -2.328 -3.860 -2.875 1.00 11.21 H new ATOM 0 HA LYS A 6 -4.272 -5.663 -3.657 1.00 24.42 H new ATOM 0 HB2 LYS A 6 -2.576 -5.418 -1.149 1.00 53.24 H new ATOM 0 HB3 LYS A 6 -3.623 -6.795 -1.429 1.00 53.24 H new ATOM 0 HG2 LYS A 6 -1.769 -6.086 -3.656 1.00 33.20 H new ATOM 0 HG3 LYS A 6 -1.022 -6.697 -2.193 1.00 33.20 H new ATOM 0 HD2 LYS A 6 -2.950 -8.540 -2.375 1.00 21.51 H new ATOM 0 HD3 LYS A 6 -2.941 -8.069 -4.062 1.00 21.51 H new ATOM 0 HE2 LYS A 6 -1.403 -9.894 -3.866 1.00 0.10 H new ATOM 0 HE3 LYS A 6 -0.432 -8.452 -4.083 1.00 0.10 H new ATOM 0 HZ1 LYS A 6 0.209 -10.099 -2.249 1.00 44.01 H new ATOM 0 HZ2 LYS A 6 0.217 -8.444 -1.869 1.00 44.01 H new ATOM 0 HZ3 LYS A 6 -1.074 -9.425 -1.364 1.00 44.01 H new ATOM 132 N LYS A 7 -5.152 -3.878 -1.033 1.00 1.53 N ATOM 133 CA LYS A 7 -6.286 -3.496 -0.199 1.00 22.40 C ATOM 134 C LYS A 7 -7.452 -3.014 -1.055 1.00 15.31 C ATOM 135 O LYS A 7 -8.494 -3.667 -1.126 1.00 63.14 O ATOM 136 CB LYS A 7 -5.875 -2.400 0.787 1.00 62.33 C ATOM 137 CG LYS A 7 -5.251 -2.934 2.064 1.00 23.14 C ATOM 138 CD LYS A 7 -6.088 -2.584 3.283 1.00 74.12 C ATOM 139 CE LYS A 7 -7.105 -3.673 3.592 1.00 42.32 C ATOM 140 NZ LYS A 7 -6.697 -4.495 4.765 1.00 74.05 N ATOM 0 H LYS A 7 -4.300 -3.346 -0.855 1.00 1.53 H new ATOM 0 HA LYS A 7 -6.607 -4.375 0.359 1.00 22.40 H new ATOM 0 HB2 LYS A 7 -5.167 -1.731 0.299 1.00 62.33 H new ATOM 0 HB3 LYS A 7 -6.752 -1.805 1.042 1.00 62.33 H new ATOM 0 HG2 LYS A 7 -5.145 -4.017 1.993 1.00 23.14 H new ATOM 0 HG3 LYS A 7 -4.248 -2.522 2.180 1.00 23.14 H new ATOM 0 HD2 LYS A 7 -5.436 -2.439 4.144 1.00 74.12 H new ATOM 0 HD3 LYS A 7 -6.605 -1.640 3.112 1.00 74.12 H new ATOM 0 HE2 LYS A 7 -8.076 -3.218 3.787 1.00 42.32 H new ATOM 0 HE3 LYS A 7 -7.224 -4.317 2.721 1.00 42.32 H new ATOM 0 HZ1 LYS A 7 -7.415 -5.226 4.944 1.00 74.05 H new ATOM 0 HZ2 LYS A 7 -5.782 -4.949 4.569 1.00 74.05 H new ATOM 0 HZ3 LYS A 7 -6.608 -3.885 5.602 1.00 74.05 H new ATOM 154 N ILE A 8 -7.271 -1.868 -1.703 1.00 24.10 N ATOM 155 CA ILE A 8 -8.308 -1.301 -2.556 1.00 5.52 C ATOM 156 C ILE A 8 -8.807 -2.324 -3.569 1.00 70.44 C ATOM 157 O ILE A 8 -10.006 -2.421 -3.829 1.00 30.15 O ATOM 158 CB ILE A 8 -7.799 -0.056 -3.308 1.00 34.23 C ATOM 159 CG1 ILE A 8 -7.315 1.004 -2.316 1.00 34.41 C ATOM 160 CG2 ILE A 8 -8.895 0.507 -4.201 1.00 2.24 C ATOM 161 CD1 ILE A 8 -8.380 1.446 -1.336 1.00 70.44 C ATOM 0 H ILE A 8 -6.416 -1.314 -1.653 1.00 24.10 H new ATOM 0 HA ILE A 8 -9.130 -1.010 -1.902 1.00 5.52 H new ATOM 0 HB ILE A 8 -6.958 -0.348 -3.937 1.00 34.23 H new ATOM 0 HG12 ILE A 8 -6.464 0.609 -1.761 1.00 34.41 H new ATOM 0 HG13 ILE A 8 -6.959 1.873 -2.870 1.00 34.41 H new ATOM 0 HG21 ILE A 8 -8.521 1.386 -4.726 1.00 2.24 H new ATOM 0 HG22 ILE A 8 -9.197 -0.248 -4.927 1.00 2.24 H new ATOM 0 HG23 ILE A 8 -9.754 0.787 -3.591 1.00 2.24 H new ATOM 0 HD11 ILE A 8 -7.966 2.198 -0.664 1.00 70.44 H new ATOM 0 HD12 ILE A 8 -9.223 1.871 -1.881 1.00 70.44 H new ATOM 0 HD13 ILE A 8 -8.719 0.588 -0.756 1.00 70.44 H new ATOM 173 N GLU A 9 -7.879 -3.088 -4.138 1.00 41.41 N ATOM 174 CA GLU A 9 -8.226 -4.105 -5.123 1.00 31.41 C ATOM 175 C GLU A 9 -9.130 -5.170 -4.509 1.00 32.40 C ATOM 176 O GLU A 9 -10.171 -5.516 -5.069 1.00 64.40 O ATOM 177 CB GLU A 9 -6.960 -4.757 -5.684 1.00 13.22 C ATOM 178 CG GLU A 9 -6.220 -3.886 -6.684 1.00 44.34 C ATOM 179 CD GLU A 9 -6.790 -3.992 -8.085 1.00 73.13 C ATOM 180 OE1 GLU A 9 -7.829 -4.664 -8.252 1.00 75.43 O ATOM 181 OE2 GLU A 9 -6.198 -3.404 -9.014 1.00 12.20 O ATOM 0 H GLU A 9 -6.882 -3.022 -3.933 1.00 41.41 H new ATOM 0 HA GLU A 9 -8.766 -3.618 -5.935 1.00 31.41 H new ATOM 0 HB2 GLU A 9 -6.290 -4.999 -4.859 1.00 13.22 H new ATOM 0 HB3 GLU A 9 -7.228 -5.699 -6.163 1.00 13.22 H new ATOM 0 HG2 GLU A 9 -6.262 -2.847 -6.356 1.00 44.34 H new ATOM 0 HG3 GLU A 9 -5.168 -4.172 -6.701 1.00 44.34 H new ATOM 188 N LYS A 10 -8.725 -5.688 -3.354 1.00 12.51 N ATOM 189 CA LYS A 10 -9.497 -6.713 -2.662 1.00 10.34 C ATOM 190 C LYS A 10 -10.842 -6.161 -2.198 1.00 63.43 C ATOM 191 O LYS A 10 -11.897 -6.670 -2.579 1.00 4.55 O ATOM 192 CB LYS A 10 -8.712 -7.248 -1.461 1.00 53.55 C ATOM 193 CG LYS A 10 -9.424 -8.365 -0.718 1.00 51.43 C ATOM 194 CD LYS A 10 -8.897 -8.516 0.699 1.00 62.13 C ATOM 195 CE LYS A 10 -7.802 -9.569 0.776 1.00 30.15 C ATOM 196 NZ LYS A 10 -6.534 -9.097 0.155 1.00 25.33 N ATOM 0 H LYS A 10 -7.866 -5.414 -2.877 1.00 12.51 H new ATOM 0 HA LYS A 10 -9.680 -7.529 -3.362 1.00 10.34 H new ATOM 0 HB2 LYS A 10 -7.743 -7.611 -1.803 1.00 53.55 H new ATOM 0 HB3 LYS A 10 -8.519 -6.428 -0.769 1.00 53.55 H new ATOM 0 HG2 LYS A 10 -10.494 -8.160 -0.689 1.00 51.43 H new ATOM 0 HG3 LYS A 10 -9.294 -9.303 -1.258 1.00 51.43 H new ATOM 0 HD2 LYS A 10 -8.509 -7.559 1.048 1.00 62.13 H new ATOM 0 HD3 LYS A 10 -9.715 -8.790 1.365 1.00 62.13 H new ATOM 0 HE2 LYS A 10 -7.621 -9.829 1.819 1.00 30.15 H new ATOM 0 HE3 LYS A 10 -8.136 -10.477 0.275 1.00 30.15 H new ATOM 0 HZ1 LYS A 10 -5.740 -9.667 0.510 1.00 25.33 H new ATOM 0 HZ2 LYS A 10 -6.596 -9.195 -0.878 1.00 25.33 H new ATOM 0 HZ3 LYS A 10 -6.379 -8.098 0.399 1.00 25.33 H new ATOM 210 N VAL A 11 -10.797 -5.118 -1.376 1.00 42.11 N ATOM 211 CA VAL A 11 -12.012 -4.496 -0.863 1.00 43.12 C ATOM 212 C VAL A 11 -12.968 -4.142 -1.996 1.00 75.22 C ATOM 213 O VAL A 11 -14.186 -4.159 -1.823 1.00 12.15 O ATOM 214 CB VAL A 11 -11.693 -3.222 -0.058 1.00 52.24 C ATOM 215 CG1 VAL A 11 -12.974 -2.572 0.442 1.00 53.23 C ATOM 216 CG2 VAL A 11 -10.761 -3.543 1.100 1.00 32.11 C ATOM 0 H VAL A 11 -9.932 -4.686 -1.051 1.00 42.11 H new ATOM 0 HA VAL A 11 -12.487 -5.223 -0.205 1.00 43.12 H new ATOM 0 HB VAL A 11 -11.188 -2.515 -0.715 1.00 52.24 H new ATOM 0 HG11 VAL A 11 -12.729 -1.674 1.008 1.00 53.23 H new ATOM 0 HG12 VAL A 11 -13.602 -2.305 -0.408 1.00 53.23 H new ATOM 0 HG13 VAL A 11 -13.510 -3.271 1.084 1.00 53.23 H new ATOM 0 HG21 VAL A 11 -10.546 -2.631 1.658 1.00 32.11 H new ATOM 0 HG22 VAL A 11 -11.237 -4.268 1.760 1.00 32.11 H new ATOM 0 HG23 VAL A 11 -9.831 -3.960 0.714 1.00 32.11 H new ATOM 226 N GLY A 12 -12.408 -3.822 -3.159 1.00 30.22 N ATOM 227 CA GLY A 12 -13.226 -3.469 -4.304 1.00 60.24 C ATOM 228 C GLY A 12 -13.960 -4.663 -4.882 1.00 52.34 C ATOM 229 O GLY A 12 -15.171 -4.610 -5.098 1.00 32.23 O ATOM 0 H GLY A 12 -11.402 -3.801 -3.328 1.00 30.22 H new ATOM 0 HA2 GLY A 12 -13.950 -2.709 -4.009 1.00 60.24 H new ATOM 0 HA3 GLY A 12 -12.595 -3.026 -5.075 1.00 60.24 H new ATOM 233 N ARG A 13 -13.226 -5.741 -5.136 1.00 31.12 N ATOM 234 CA ARG A 13 -13.815 -6.952 -5.695 1.00 42.24 C ATOM 235 C ARG A 13 -14.716 -7.640 -4.675 1.00 32.05 C ATOM 236 O ARG A 13 -15.706 -8.275 -5.035 1.00 15.24 O ATOM 237 CB ARG A 13 -12.717 -7.914 -6.153 1.00 2.03 C ATOM 238 CG ARG A 13 -12.738 -8.197 -7.646 1.00 32.01 C ATOM 239 CD ARG A 13 -11.440 -7.769 -8.313 1.00 31.14 C ATOM 240 NE ARG A 13 -11.216 -8.470 -9.574 1.00 41.42 N ATOM 241 CZ ARG A 13 -10.069 -8.430 -10.243 1.00 50.12 C ATOM 242 NH1 ARG A 13 -9.048 -7.727 -9.773 1.00 65.50 N ATOM 243 NH2 ARG A 13 -9.942 -9.094 -11.385 1.00 30.22 N ATOM 0 H ARG A 13 -12.222 -5.801 -4.964 1.00 31.12 H new ATOM 0 HA ARG A 13 -14.421 -6.667 -6.555 1.00 42.24 H new ATOM 0 HB2 ARG A 13 -11.746 -7.498 -5.884 1.00 2.03 H new ATOM 0 HB3 ARG A 13 -12.821 -8.855 -5.612 1.00 2.03 H new ATOM 0 HG2 ARG A 13 -12.900 -9.262 -7.813 1.00 32.01 H new ATOM 0 HG3 ARG A 13 -13.575 -7.671 -8.105 1.00 32.01 H new ATOM 0 HD2 ARG A 13 -11.463 -6.694 -8.495 1.00 31.14 H new ATOM 0 HD3 ARG A 13 -10.605 -7.961 -7.639 1.00 31.14 H new ATOM 0 HE ARG A 13 -11.982 -9.020 -9.962 1.00 41.42 H new ATOM 0 HH11 ARG A 13 -9.142 -7.215 -8.896 1.00 65.50 H new ATOM 0 HH12 ARG A 13 -8.168 -7.698 -10.289 1.00 65.50 H new ATOM 0 HH21 ARG A 13 -10.726 -9.636 -11.750 1.00 30.22 H new ATOM 0 HH22 ARG A 13 -9.061 -9.063 -11.898 1.00 30.22 H new ATOM 257 N ASN A 14 -14.365 -7.509 -3.399 1.00 61.34 N ATOM 258 CA ASN A 14 -15.141 -8.119 -2.326 1.00 74.42 C ATOM 259 C ASN A 14 -16.596 -7.661 -2.378 1.00 44.25 C ATOM 260 O ASN A 14 -17.493 -8.441 -2.698 1.00 42.34 O ATOM 261 CB ASN A 14 -14.533 -7.770 -0.966 1.00 74.24 C ATOM 262 CG ASN A 14 -15.193 -8.523 0.173 1.00 74.03 C ATOM 263 OD1 ASN A 14 -16.382 -8.079 0.565 1.00 20.15 O flip ATOM 264 ND2 ASN A 14 -14.641 -9.492 0.693 1.00 71.34 N flip ATOM 0 H ASN A 14 -13.548 -6.986 -3.084 1.00 61.34 H new ATOM 0 HA ASN A 14 -15.114 -9.200 -2.462 1.00 74.42 H new ATOM 0 HB2 ASN A 14 -13.467 -7.997 -0.979 1.00 74.24 H new ATOM 0 HB3 ASN A 14 -14.628 -6.698 -0.793 1.00 74.24 H new ATOM 0 HD21 ASN A 14 -13.727 -9.798 0.359 1.00 71.34 H new ATOM 0 HD22 ASN A 14 -15.097 -9.989 1.458 1.00 71.34 H new ATOM 271 N VAL A 15 -16.821 -6.389 -2.062 1.00 72.54 N ATOM 272 CA VAL A 15 -18.166 -5.826 -2.075 1.00 3.42 C ATOM 273 C VAL A 15 -18.868 -6.109 -3.398 1.00 33.02 C ATOM 274 O VAL A 15 -19.988 -6.620 -3.421 1.00 13.44 O ATOM 275 CB VAL A 15 -18.138 -4.304 -1.836 1.00 75.22 C ATOM 276 CG1 VAL A 15 -19.548 -3.733 -1.867 1.00 70.43 C ATOM 277 CG2 VAL A 15 -17.454 -3.985 -0.516 1.00 0.42 C ATOM 0 H VAL A 15 -16.090 -5.730 -1.794 1.00 72.54 H new ATOM 0 HA VAL A 15 -18.718 -6.304 -1.266 1.00 3.42 H new ATOM 0 HB VAL A 15 -17.565 -3.838 -2.638 1.00 75.22 H new ATOM 0 HG11 VAL A 15 -19.509 -2.657 -1.696 1.00 70.43 H new ATOM 0 HG12 VAL A 15 -19.999 -3.930 -2.840 1.00 70.43 H new ATOM 0 HG13 VAL A 15 -20.148 -4.202 -1.087 1.00 70.43 H new ATOM 0 HG21 VAL A 15 -17.443 -2.906 -0.363 1.00 0.42 H new ATOM 0 HG22 VAL A 15 -17.998 -4.461 0.300 1.00 0.42 H new ATOM 0 HG23 VAL A 15 -16.430 -4.359 -0.537 1.00 0.42 H new ATOM 287 N ARG A 16 -18.203 -5.775 -4.498 1.00 44.24 N ATOM 288 CA ARG A 16 -18.764 -5.993 -5.826 1.00 45.34 C ATOM 289 C ARG A 16 -19.240 -7.433 -5.985 1.00 74.44 C ATOM 290 O ARG A 16 -20.420 -7.684 -6.232 1.00 13.31 O ATOM 291 CB ARG A 16 -17.726 -5.666 -6.902 1.00 25.24 C ATOM 292 CG ARG A 16 -17.978 -4.346 -7.611 1.00 2.44 C ATOM 293 CD ARG A 16 -16.758 -3.440 -7.552 1.00 43.11 C ATOM 294 NE ARG A 16 -16.883 -2.293 -8.448 1.00 75.51 N ATOM 295 CZ ARG A 16 -16.034 -1.272 -8.459 1.00 21.43 C ATOM 296 NH1 ARG A 16 -15.002 -1.255 -7.626 1.00 71.43 N ATOM 297 NH2 ARG A 16 -16.215 -0.266 -9.304 1.00 13.42 N ATOM 0 H ARG A 16 -17.275 -5.352 -4.496 1.00 44.24 H new ATOM 0 HA ARG A 16 -19.621 -5.330 -5.944 1.00 45.34 H new ATOM 0 HB2 ARG A 16 -16.737 -5.640 -6.445 1.00 25.24 H new ATOM 0 HB3 ARG A 16 -17.715 -6.468 -7.640 1.00 25.24 H new ATOM 0 HG2 ARG A 16 -18.242 -4.535 -8.651 1.00 2.44 H new ATOM 0 HG3 ARG A 16 -18.829 -3.842 -7.153 1.00 2.44 H new ATOM 0 HD2 ARG A 16 -16.617 -3.088 -6.530 1.00 43.11 H new ATOM 0 HD3 ARG A 16 -15.869 -4.012 -7.817 1.00 43.11 H new ATOM 0 HE ARG A 16 -17.666 -2.275 -9.102 1.00 75.51 H new ATOM 0 HH11 ARG A 16 -14.859 -2.027 -6.975 1.00 71.43 H new ATOM 0 HH12 ARG A 16 -14.351 -0.470 -7.636 1.00 71.43 H new ATOM 0 HH21 ARG A 16 -17.007 -0.276 -9.947 1.00 13.42 H new ATOM 0 HH22 ARG A 16 -15.562 0.518 -9.311 1.00 13.42 H new ATOM 311 N ASP A 17 -18.315 -8.376 -5.843 1.00 74.22 N ATOM 312 CA ASP A 17 -18.641 -9.792 -5.970 1.00 61.15 C ATOM 313 C ASP A 17 -19.742 -10.187 -4.991 1.00 41.30 C ATOM 314 O ASP A 17 -20.607 -11.001 -5.309 1.00 71.32 O ATOM 315 CB ASP A 17 -17.396 -10.647 -5.729 1.00 61.12 C ATOM 316 CG ASP A 17 -17.594 -12.090 -6.150 1.00 33.13 C ATOM 317 OD1 ASP A 17 -18.450 -12.771 -5.547 1.00 50.02 O ATOM 318 OD2 ASP A 17 -16.893 -12.539 -7.081 1.00 10.11 O ATOM 0 H ASP A 17 -17.334 -8.186 -5.640 1.00 74.22 H new ATOM 0 HA ASP A 17 -19.002 -9.967 -6.984 1.00 61.15 H new ATOM 0 HB2 ASP A 17 -16.556 -10.223 -6.279 1.00 61.12 H new ATOM 0 HB3 ASP A 17 -17.134 -10.613 -4.671 1.00 61.12 H new ATOM 323 N GLY A 18 -19.702 -9.603 -3.797 1.00 23.53 N ATOM 324 CA GLY A 18 -20.700 -9.908 -2.789 1.00 14.23 C ATOM 325 C GLY A 18 -22.089 -9.452 -3.192 1.00 4.34 C ATOM 326 O GLY A 18 -23.062 -10.188 -3.029 1.00 14.42 O ATOM 0 H GLY A 18 -18.996 -8.924 -3.510 1.00 23.53 H new ATOM 0 HA2 GLY A 18 -20.712 -10.983 -2.608 1.00 14.23 H new ATOM 0 HA3 GLY A 18 -20.422 -9.429 -1.850 1.00 14.23 H new ATOM 330 N ILE A 19 -22.181 -8.235 -3.717 1.00 45.30 N ATOM 331 CA ILE A 19 -23.460 -7.682 -4.143 1.00 51.14 C ATOM 332 C ILE A 19 -23.933 -8.327 -5.442 1.00 24.33 C ATOM 333 O ILE A 19 -25.128 -8.550 -5.637 1.00 2.22 O ATOM 334 CB ILE A 19 -23.376 -6.157 -4.342 1.00 54.00 C ATOM 335 CG1 ILE A 19 -22.970 -5.472 -3.036 1.00 31.15 C ATOM 336 CG2 ILE A 19 -24.708 -5.614 -4.839 1.00 44.24 C ATOM 337 CD1 ILE A 19 -23.990 -5.627 -1.930 1.00 14.54 C ATOM 0 H ILE A 19 -21.385 -7.613 -3.857 1.00 45.30 H new ATOM 0 HA ILE A 19 -24.176 -7.898 -3.350 1.00 51.14 H new ATOM 0 HB ILE A 19 -22.616 -5.945 -5.093 1.00 54.00 H new ATOM 0 HG12 ILE A 19 -22.017 -5.882 -2.701 1.00 31.15 H new ATOM 0 HG13 ILE A 19 -22.811 -4.411 -3.226 1.00 31.15 H new ATOM 0 HG21 ILE A 19 -24.633 -4.535 -4.975 1.00 44.24 H new ATOM 0 HG22 ILE A 19 -24.960 -6.083 -5.790 1.00 44.24 H new ATOM 0 HG23 ILE A 19 -25.486 -5.834 -4.108 1.00 44.24 H new ATOM 0 HD11 ILE A 19 -23.636 -5.117 -1.034 1.00 14.54 H new ATOM 0 HD12 ILE A 19 -24.938 -5.191 -2.245 1.00 14.54 H new ATOM 0 HD13 ILE A 19 -24.132 -6.685 -1.712 1.00 14.54 H new ATOM 349 N ILE A 20 -22.987 -8.627 -6.325 1.00 44.14 N ATOM 350 CA ILE A 20 -23.306 -9.250 -7.604 1.00 0.31 C ATOM 351 C ILE A 20 -23.731 -10.702 -7.417 1.00 33.11 C ATOM 352 O ILE A 20 -24.760 -11.132 -7.939 1.00 41.04 O ATOM 353 CB ILE A 20 -22.108 -9.198 -8.570 1.00 41.33 C ATOM 354 CG1 ILE A 20 -21.698 -7.747 -8.832 1.00 14.11 C ATOM 355 CG2 ILE A 20 -22.449 -9.901 -9.875 1.00 74.05 C ATOM 356 CD1 ILE A 20 -20.243 -7.589 -9.215 1.00 35.43 C ATOM 0 H ILE A 20 -21.993 -8.449 -6.179 1.00 44.14 H new ATOM 0 HA ILE A 20 -24.133 -8.684 -8.033 1.00 0.31 H new ATOM 0 HB ILE A 20 -21.267 -9.716 -8.110 1.00 41.33 H new ATOM 0 HG12 ILE A 20 -22.321 -7.340 -9.629 1.00 14.11 H new ATOM 0 HG13 ILE A 20 -21.896 -7.155 -7.938 1.00 14.11 H new ATOM 0 HG21 ILE A 20 -21.592 -9.856 -10.547 1.00 74.05 H new ATOM 0 HG22 ILE A 20 -22.697 -10.943 -9.673 1.00 74.05 H new ATOM 0 HG23 ILE A 20 -23.302 -9.409 -10.341 1.00 74.05 H new ATOM 0 HD11 ILE A 20 -20.024 -6.535 -9.386 1.00 35.43 H new ATOM 0 HD12 ILE A 20 -19.612 -7.965 -8.410 1.00 35.43 H new ATOM 0 HD13 ILE A 20 -20.043 -8.153 -10.126 1.00 35.43 H new ATOM 368 N LYS A 21 -22.934 -11.454 -6.666 1.00 64.43 N ATOM 369 CA LYS A 21 -23.227 -12.859 -6.406 1.00 55.32 C ATOM 370 C LYS A 21 -24.629 -13.023 -5.827 1.00 70.01 C ATOM 371 O LYS A 21 -25.392 -13.887 -6.259 1.00 42.41 O ATOM 372 CB LYS A 21 -22.194 -13.447 -5.443 1.00 60.42 C ATOM 373 CG LYS A 21 -22.533 -14.850 -4.971 1.00 20.45 C ATOM 374 CD LYS A 21 -21.314 -15.557 -4.401 1.00 12.44 C ATOM 375 CE LYS A 21 -21.675 -16.400 -3.187 1.00 52.24 C ATOM 376 NZ LYS A 21 -21.926 -17.821 -3.554 1.00 71.15 N ATOM 0 H LYS A 21 -22.079 -11.114 -6.226 1.00 64.43 H new ATOM 0 HA LYS A 21 -23.178 -13.396 -7.353 1.00 55.32 H new ATOM 0 HB2 LYS A 21 -21.220 -13.463 -5.933 1.00 60.42 H new ATOM 0 HB3 LYS A 21 -22.104 -12.793 -4.576 1.00 60.42 H new ATOM 0 HG2 LYS A 21 -23.314 -14.801 -4.212 1.00 20.45 H new ATOM 0 HG3 LYS A 21 -22.934 -15.428 -5.804 1.00 20.45 H new ATOM 0 HD2 LYS A 21 -20.869 -16.192 -5.167 1.00 12.44 H new ATOM 0 HD3 LYS A 21 -20.562 -14.819 -4.122 1.00 12.44 H new ATOM 0 HE2 LYS A 21 -20.867 -16.351 -2.457 1.00 52.24 H new ATOM 0 HE3 LYS A 21 -22.563 -15.986 -2.708 1.00 52.24 H new ATOM 0 HZ1 LYS A 21 -22.169 -18.362 -2.700 1.00 71.15 H new ATOM 0 HZ2 LYS A 21 -22.714 -17.871 -4.231 1.00 71.15 H new ATOM 0 HZ3 LYS A 21 -21.071 -18.224 -3.988 1.00 71.15 H new ATOM 390 N ALA A 22 -24.962 -12.188 -4.848 1.00 65.01 N ATOM 391 CA ALA A 22 -26.272 -12.239 -4.213 1.00 34.02 C ATOM 392 C ALA A 22 -27.340 -11.619 -5.107 1.00 75.15 C ATOM 393 O ALA A 22 -28.184 -12.322 -5.662 1.00 33.12 O ATOM 394 CB ALA A 22 -26.234 -11.532 -2.866 1.00 31.20 C ATOM 0 H ALA A 22 -24.342 -11.468 -4.478 1.00 65.01 H new ATOM 0 HA ALA A 22 -26.530 -13.286 -4.055 1.00 34.02 H new ATOM 0 HB1 ALA A 22 -27.220 -11.578 -2.403 1.00 31.20 H new ATOM 0 HB2 ALA A 22 -25.506 -12.021 -2.219 1.00 31.20 H new ATOM 0 HB3 ALA A 22 -25.949 -10.490 -3.010 1.00 31.20 H new ATOM 400 N GLY A 23 -27.298 -10.297 -5.243 1.00 71.13 N ATOM 401 CA GLY A 23 -28.268 -9.605 -6.071 1.00 54.02 C ATOM 402 C GLY A 23 -28.858 -8.390 -5.382 1.00 24.43 C ATOM 403 O GLY A 23 -28.535 -7.248 -5.707 1.00 42.32 O ATOM 0 H GLY A 23 -26.609 -9.693 -4.794 1.00 71.13 H new ATOM 0 HA2 GLY A 23 -27.792 -9.296 -7.001 1.00 54.02 H new ATOM 0 HA3 GLY A 23 -29.070 -10.293 -6.337 1.00 54.02 H new ATOM 407 N PRO A 24 -29.745 -8.632 -4.405 1.00 51.25 N ATOM 408 CA PRO A 24 -30.400 -7.561 -3.649 1.00 14.12 C ATOM 409 C PRO A 24 -29.434 -6.830 -2.723 1.00 42.24 C ATOM 410 O PRO A 24 -29.191 -7.262 -1.597 1.00 72.21 O ATOM 411 CB PRO A 24 -31.464 -8.302 -2.834 1.00 43.41 C ATOM 412 CG PRO A 24 -30.939 -9.689 -2.699 1.00 22.31 C ATOM 413 CD PRO A 24 -30.177 -9.969 -3.965 1.00 2.12 C ATOM 0 HA PRO A 24 -30.805 -6.789 -4.304 1.00 14.12 H new ATOM 0 HB2 PRO A 24 -31.611 -7.837 -1.859 1.00 43.41 H new ATOM 0 HB3 PRO A 24 -32.429 -8.291 -3.340 1.00 43.41 H new ATOM 0 HG2 PRO A 24 -30.292 -9.778 -1.826 1.00 22.31 H new ATOM 0 HG3 PRO A 24 -31.752 -10.403 -2.567 1.00 22.31 H new ATOM 0 HD2 PRO A 24 -29.327 -10.627 -3.785 1.00 2.12 H new ATOM 0 HD3 PRO A 24 -30.804 -10.455 -4.712 1.00 2.12 H new ATOM 421 N ALA A 25 -28.885 -5.720 -3.206 1.00 12.31 N ATOM 422 CA ALA A 25 -27.947 -4.927 -2.421 1.00 20.44 C ATOM 423 C ALA A 25 -28.588 -4.443 -1.125 1.00 11.14 C ATOM 424 O ALA A 25 -27.966 -4.474 -0.063 1.00 22.02 O ATOM 425 CB ALA A 25 -27.442 -3.746 -3.236 1.00 32.12 C ATOM 0 H ALA A 25 -29.074 -5.350 -4.137 1.00 12.31 H new ATOM 0 HA ALA A 25 -27.101 -5.563 -2.162 1.00 20.44 H new ATOM 0 HB1 ALA A 25 -26.743 -3.163 -2.637 1.00 32.12 H new ATOM 0 HB2 ALA A 25 -26.937 -4.111 -4.131 1.00 32.12 H new ATOM 0 HB3 ALA A 25 -28.284 -3.117 -3.525 1.00 32.12 H new ATOM 431 N VAL A 26 -29.836 -3.994 -1.219 1.00 21.44 N ATOM 432 CA VAL A 26 -30.562 -3.503 -0.053 1.00 64.42 C ATOM 433 C VAL A 26 -30.550 -4.530 1.074 1.00 51.20 C ATOM 434 O VAL A 26 -30.056 -4.259 2.168 1.00 35.43 O ATOM 435 CB VAL A 26 -32.021 -3.160 -0.405 1.00 13.31 C ATOM 436 CG1 VAL A 26 -32.744 -2.596 0.809 1.00 54.54 C ATOM 437 CG2 VAL A 26 -32.072 -2.181 -1.569 1.00 33.34 C ATOM 0 H VAL A 26 -30.365 -3.960 -2.090 1.00 21.44 H new ATOM 0 HA VAL A 26 -30.054 -2.598 0.279 1.00 64.42 H new ATOM 0 HB VAL A 26 -32.529 -4.076 -0.708 1.00 13.31 H new ATOM 0 HG11 VAL A 26 -33.774 -2.359 0.542 1.00 54.54 H new ATOM 0 HG12 VAL A 26 -32.738 -3.334 1.611 1.00 54.54 H new ATOM 0 HG13 VAL A 26 -32.239 -1.690 1.145 1.00 54.54 H new ATOM 0 HG21 VAL A 26 -33.111 -1.950 -1.804 1.00 33.34 H new ATOM 0 HG22 VAL A 26 -31.549 -1.264 -1.297 1.00 33.34 H new ATOM 0 HG23 VAL A 26 -31.593 -2.627 -2.441 1.00 33.34 H new ATOM 447 N ALA A 27 -31.097 -5.709 0.798 1.00 32.34 N ATOM 448 CA ALA A 27 -31.148 -6.778 1.788 1.00 3.15 C ATOM 449 C ALA A 27 -29.757 -7.092 2.329 1.00 43.21 C ATOM 450 O ALA A 27 -29.553 -7.166 3.541 1.00 63.44 O ATOM 451 CB ALA A 27 -31.776 -8.026 1.186 1.00 11.13 C ATOM 0 H ALA A 27 -31.511 -5.948 -0.103 1.00 32.34 H new ATOM 0 HA ALA A 27 -31.765 -6.439 2.620 1.00 3.15 H new ATOM 0 HB1 ALA A 27 -31.807 -8.816 1.937 1.00 11.13 H new ATOM 0 HB2 ALA A 27 -32.789 -7.800 0.855 1.00 11.13 H new ATOM 0 HB3 ALA A 27 -31.182 -8.358 0.335 1.00 11.13 H new ATOM 457 N VAL A 28 -28.802 -7.276 1.422 1.00 11.42 N ATOM 458 CA VAL A 28 -27.430 -7.581 1.808 1.00 22.32 C ATOM 459 C VAL A 28 -26.874 -6.518 2.748 1.00 5.14 C ATOM 460 O VAL A 28 -26.566 -6.798 3.907 1.00 11.32 O ATOM 461 CB VAL A 28 -26.512 -7.693 0.576 1.00 1.33 C ATOM 462 CG1 VAL A 28 -25.080 -7.982 1.001 1.00 12.44 C ATOM 463 CG2 VAL A 28 -27.022 -8.767 -0.372 1.00 51.34 C ATOM 0 H VAL A 28 -28.954 -7.219 0.415 1.00 11.42 H new ATOM 0 HA VAL A 28 -27.452 -8.541 2.323 1.00 22.32 H new ATOM 0 HB VAL A 28 -26.523 -6.739 0.048 1.00 1.33 H new ATOM 0 HG11 VAL A 28 -24.446 -8.058 0.117 1.00 12.44 H new ATOM 0 HG12 VAL A 28 -24.719 -7.174 1.638 1.00 12.44 H new ATOM 0 HG13 VAL A 28 -25.047 -8.921 1.553 1.00 12.44 H new ATOM 0 HG21 VAL A 28 -26.362 -8.832 -1.237 1.00 51.34 H new ATOM 0 HG22 VAL A 28 -27.042 -9.727 0.143 1.00 51.34 H new ATOM 0 HG23 VAL A 28 -28.029 -8.512 -0.703 1.00 51.34 H new ATOM 473 N VAL A 29 -26.747 -5.296 2.242 1.00 41.54 N ATOM 474 CA VAL A 29 -26.229 -4.188 3.036 1.00 20.45 C ATOM 475 C VAL A 29 -26.989 -4.053 4.351 1.00 53.41 C ATOM 476 O VAL A 29 -26.390 -3.994 5.424 1.00 60.33 O ATOM 477 CB VAL A 29 -26.314 -2.857 2.267 1.00 53.11 C ATOM 478 CG1 VAL A 29 -25.797 -1.711 3.123 1.00 13.12 C ATOM 479 CG2 VAL A 29 -25.542 -2.947 0.960 1.00 63.24 C ATOM 0 H VAL A 29 -26.996 -5.048 1.285 1.00 41.54 H new ATOM 0 HA VAL A 29 -25.183 -4.410 3.245 1.00 20.45 H new ATOM 0 HB VAL A 29 -27.360 -2.660 2.032 1.00 53.11 H new ATOM 0 HG11 VAL A 29 -25.865 -0.779 2.562 1.00 13.12 H new ATOM 0 HG12 VAL A 29 -26.398 -1.634 4.029 1.00 13.12 H new ATOM 0 HG13 VAL A 29 -24.757 -1.898 3.392 1.00 13.12 H new ATOM 0 HG21 VAL A 29 -25.613 -1.997 0.429 1.00 63.24 H new ATOM 0 HG22 VAL A 29 -24.496 -3.168 1.170 1.00 63.24 H new ATOM 0 HG23 VAL A 29 -25.964 -3.740 0.342 1.00 63.24 H new ATOM 489 N GLY A 30 -28.315 -4.003 4.259 1.00 21.33 N ATOM 490 CA GLY A 30 -29.136 -3.875 5.449 1.00 74.13 C ATOM 491 C GLY A 30 -28.863 -4.969 6.462 1.00 15.44 C ATOM 492 O GLY A 30 -28.457 -4.690 7.590 1.00 64.11 O ATOM 0 H GLY A 30 -28.835 -4.049 3.382 1.00 21.33 H new ATOM 0 HA2 GLY A 30 -28.954 -2.904 5.910 1.00 74.13 H new ATOM 0 HA3 GLY A 30 -30.188 -3.901 5.165 1.00 74.13 H new ATOM 496 N GLN A 31 -29.089 -6.215 6.061 1.00 74.31 N ATOM 497 CA GLN A 31 -28.867 -7.354 6.944 1.00 13.13 C ATOM 498 C GLN A 31 -27.465 -7.314 7.542 1.00 44.31 C ATOM 499 O GLN A 31 -27.299 -7.316 8.761 1.00 23.12 O ATOM 500 CB GLN A 31 -29.073 -8.665 6.183 1.00 2.31 C ATOM 501 CG GLN A 31 -28.758 -9.903 7.007 1.00 14.34 C ATOM 502 CD GLN A 31 -29.083 -11.190 6.275 1.00 54.51 C ATOM 503 OE1 GLN A 31 -30.246 -11.480 5.992 1.00 51.21 O ATOM 504 NE2 GLN A 31 -28.055 -11.969 5.963 1.00 22.52 N ATOM 0 H GLN A 31 -29.426 -6.462 5.130 1.00 74.31 H new ATOM 0 HA GLN A 31 -29.591 -7.297 7.757 1.00 13.13 H new ATOM 0 HB2 GLN A 31 -30.107 -8.719 5.842 1.00 2.31 H new ATOM 0 HB3 GLN A 31 -28.444 -8.661 5.293 1.00 2.31 H new ATOM 0 HG2 GLN A 31 -27.701 -9.898 7.273 1.00 14.34 H new ATOM 0 HG3 GLN A 31 -29.322 -9.867 7.939 1.00 14.34 H new ATOM 0 HE21 GLN A 31 -27.108 -11.689 6.217 1.00 22.52 H new ATOM 0 HE22 GLN A 31 -28.212 -12.847 5.469 1.00 22.52 H new ATOM 513 N ALA A 32 -26.458 -7.277 6.675 1.00 72.23 N ATOM 514 CA ALA A 32 -25.070 -7.235 7.117 1.00 40.10 C ATOM 515 C ALA A 32 -24.846 -6.103 8.114 1.00 63.00 C ATOM 516 O ALA A 32 -24.411 -6.334 9.242 1.00 50.21 O ATOM 517 CB ALA A 32 -24.140 -7.081 5.923 1.00 50.34 C ATOM 0 H ALA A 32 -26.578 -7.275 5.662 1.00 72.23 H new ATOM 0 HA ALA A 32 -24.846 -8.176 7.619 1.00 40.10 H new ATOM 0 HB1 ALA A 32 -23.107 -7.051 6.268 1.00 50.34 H new ATOM 0 HB2 ALA A 32 -24.273 -7.926 5.247 1.00 50.34 H new ATOM 0 HB3 ALA A 32 -24.374 -6.155 5.397 1.00 50.34 H new ATOM 523 N ALA A 33 -25.144 -4.879 7.690 1.00 34.40 N ATOM 524 CA ALA A 33 -24.976 -3.712 8.547 1.00 55.05 C ATOM 525 C ALA A 33 -25.689 -3.903 9.881 1.00 23.32 C ATOM 526 O ALA A 33 -25.148 -3.576 10.938 1.00 14.23 O ATOM 527 CB ALA A 33 -25.492 -2.464 7.845 1.00 70.20 C ATOM 0 H ALA A 33 -25.503 -4.670 6.758 1.00 34.40 H new ATOM 0 HA ALA A 33 -23.912 -3.590 8.748 1.00 55.05 H new ATOM 0 HB1 ALA A 33 -25.361 -1.600 8.496 1.00 70.20 H new ATOM 0 HB2 ALA A 33 -24.935 -2.310 6.921 1.00 70.20 H new ATOM 0 HB3 ALA A 33 -26.550 -2.587 7.615 1.00 70.20 H new ATOM 533 N THR A 34 -26.906 -4.435 9.826 1.00 20.24 N ATOM 534 CA THR A 34 -27.693 -4.668 11.031 1.00 71.24 C ATOM 535 C THR A 34 -27.027 -5.702 11.931 1.00 10.14 C ATOM 536 O THR A 34 -26.972 -5.535 13.150 1.00 41.21 O ATOM 537 CB THR A 34 -29.117 -5.145 10.687 1.00 12.44 C ATOM 538 OG1 THR A 34 -29.779 -4.167 9.878 1.00 51.35 O ATOM 539 CG2 THR A 34 -29.924 -5.393 11.953 1.00 73.13 C ATOM 0 H THR A 34 -27.368 -4.713 8.960 1.00 20.24 H new ATOM 0 HA THR A 34 -27.753 -3.716 11.559 1.00 71.24 H new ATOM 0 HB THR A 34 -29.040 -6.081 10.134 1.00 12.44 H new ATOM 0 HG1 THR A 34 -29.503 -4.274 8.944 1.00 51.35 H new ATOM 0 HG21 THR A 34 -30.926 -5.729 11.686 1.00 73.13 H new ATOM 0 HG22 THR A 34 -29.433 -6.159 12.554 1.00 73.13 H new ATOM 0 HG23 THR A 34 -29.992 -4.469 12.528 1.00 73.13 H new ATOM 547 N VAL A 35 -26.521 -6.771 11.324 1.00 0.25 N ATOM 548 CA VAL A 35 -25.856 -7.831 12.072 1.00 33.41 C ATOM 549 C VAL A 35 -24.538 -7.344 12.663 1.00 33.14 C ATOM 550 O VAL A 35 -24.174 -7.710 13.781 1.00 42.20 O ATOM 551 CB VAL A 35 -25.585 -9.059 11.183 1.00 25.40 C ATOM 552 CG1 VAL A 35 -24.875 -10.146 11.976 1.00 62.32 C ATOM 553 CG2 VAL A 35 -26.883 -9.584 10.588 1.00 43.51 C ATOM 0 H VAL A 35 -26.559 -6.926 10.317 1.00 0.25 H new ATOM 0 HA VAL A 35 -26.529 -8.118 12.880 1.00 33.41 H new ATOM 0 HB VAL A 35 -24.933 -8.755 10.364 1.00 25.40 H new ATOM 0 HG11 VAL A 35 -24.692 -11.006 11.332 1.00 62.32 H new ATOM 0 HG12 VAL A 35 -23.925 -9.763 12.349 1.00 62.32 H new ATOM 0 HG13 VAL A 35 -25.499 -10.449 12.817 1.00 62.32 H new ATOM 0 HG21 VAL A 35 -26.672 -10.452 9.963 1.00 43.51 H new ATOM 0 HG22 VAL A 35 -27.561 -9.872 11.391 1.00 43.51 H new ATOM 0 HG23 VAL A 35 -27.347 -8.805 9.983 1.00 43.51 H new ATOM 563 N VAL A 36 -23.827 -6.515 11.906 1.00 64.41 N ATOM 564 CA VAL A 36 -22.549 -5.976 12.355 1.00 1.32 C ATOM 565 C VAL A 36 -22.748 -4.917 13.434 1.00 33.22 C ATOM 566 O VAL A 36 -22.228 -5.039 14.543 1.00 21.33 O ATOM 567 CB VAL A 36 -21.758 -5.359 11.186 1.00 10.23 C ATOM 568 CG1 VAL A 36 -20.436 -4.788 11.678 1.00 74.43 C ATOM 569 CG2 VAL A 36 -21.529 -6.393 10.094 1.00 2.33 C ATOM 0 H VAL A 36 -24.114 -6.202 10.979 1.00 64.41 H new ATOM 0 HA VAL A 36 -21.981 -6.810 12.768 1.00 1.32 H new ATOM 0 HB VAL A 36 -22.344 -4.542 10.764 1.00 10.23 H new ATOM 0 HG11 VAL A 36 -19.891 -4.357 10.838 1.00 74.43 H new ATOM 0 HG12 VAL A 36 -20.628 -4.015 12.422 1.00 74.43 H new ATOM 0 HG13 VAL A 36 -19.841 -5.583 12.127 1.00 74.43 H new ATOM 0 HG21 VAL A 36 -20.969 -5.940 9.276 1.00 2.33 H new ATOM 0 HG22 VAL A 36 -20.964 -7.232 10.500 1.00 2.33 H new ATOM 0 HG23 VAL A 36 -22.490 -6.749 9.722 1.00 2.33 H new ATOM 579 N LYS A 37 -23.506 -3.877 13.102 1.00 30.52 N ATOM 580 CA LYS A 37 -23.777 -2.797 14.043 1.00 52.45 C ATOM 581 C LYS A 37 -24.350 -3.341 15.347 1.00 20.21 C ATOM 582 O LYS A 37 -23.821 -3.076 16.427 1.00 13.01 O ATOM 583 CB LYS A 37 -24.751 -1.790 13.427 1.00 51.53 C ATOM 584 CG LYS A 37 -24.868 -0.496 14.214 1.00 24.15 C ATOM 585 CD LYS A 37 -25.779 0.501 13.518 1.00 23.21 C ATOM 586 CE LYS A 37 -26.333 1.527 14.495 1.00 24.51 C ATOM 587 NZ LYS A 37 -25.554 2.796 14.467 1.00 32.24 N ATOM 0 H LYS A 37 -23.943 -3.760 12.188 1.00 30.52 H new ATOM 0 HA LYS A 37 -22.834 -2.296 14.263 1.00 52.45 H new ATOM 0 HB2 LYS A 37 -24.428 -1.560 12.412 1.00 51.53 H new ATOM 0 HB3 LYS A 37 -25.736 -2.250 13.352 1.00 51.53 H new ATOM 0 HG2 LYS A 37 -25.255 -0.709 15.211 1.00 24.15 H new ATOM 0 HG3 LYS A 37 -23.879 -0.057 14.343 1.00 24.15 H new ATOM 0 HD2 LYS A 37 -25.227 1.010 12.728 1.00 23.21 H new ATOM 0 HD3 LYS A 37 -26.603 -0.029 13.040 1.00 23.21 H new ATOM 0 HE2 LYS A 37 -27.375 1.735 14.251 1.00 24.51 H new ATOM 0 HE3 LYS A 37 -26.318 1.114 15.503 1.00 24.51 H new ATOM 0 HZ1 LYS A 37 -25.963 3.469 15.146 1.00 32.24 H new ATOM 0 HZ2 LYS A 37 -24.565 2.602 14.724 1.00 32.24 H new ATOM 0 HZ3 LYS A 37 -25.589 3.204 13.511 1.00 32.24 H new HETATM 601 N NH2 A 38 -25.433 -4.105 15.240 1.00 44.13 N TER 603 NH2 A 38