USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 598 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: B 1 TRP N :NH3+ -108:sc= -0.307 (180deg=0) USER MOD Set 1.2: B 6 LYS NZ :NH3+ 143:sc= -3.72! (180deg=-5.99!) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0303 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 172:sc=-0.000618 (180deg=-0.0927) USER MOD Single : A 10 THR OG1 : rot 75:sc= 0.453 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.032 (180deg=-0.266) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 77:sc= 0.398 USER MOD Single : A 29 TYR OH : rot 54:sc= 0.0543 USER MOD Single : A 31 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0372) USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0892) USER MOD Single : B 2 SER OG : rot 9:sc= 0.771 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 8 THR OG1 : rot 76:sc= 0.103 USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 167:sc= -0.0326 (180deg=-0.245) USER MOD Single : B 15 SER OG : rot 76:sc= 0.15 USER MOD Single : B 16 MET CE :methyl 173:sc= -0.478 (180deg=-0.542) USER MOD Single : B 18 LYS NZ :NH3+ -120:sc= -2.35 (180deg=-3.98!) USER MOD Single : B 19 LYS NZ :NH3+ 143:sc= -1.44 (180deg=-3.14!) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 180:sc= -0.0422 (180deg=-0.0422) USER MOD Single : B 29 LYS NZ :NH3+ -164:sc= -2.77! (180deg=-3.14!) USER MOD Single : B 30 LYS NZ :NH3+ 143:sc= -0.338 (180deg=-1.92) USER MOD Single : B 31 LYS NZ :NH3+ -167:sc= -0.303 (180deg=-0.598) USER MOD Single : B 34 LYS NZ :NH3+ -168:sc= -1.69! (180deg=-2.03!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.975 -18.475 1.512 1.00 0.00 N ATOM 2 CA GLY A 1 1.593 -17.263 0.953 1.00 0.00 C ATOM 3 C GLY A 1 1.821 -16.185 2.022 1.00 0.00 C ATOM 4 O GLY A 1 1.531 -16.331 3.211 1.00 0.00 O ATOM 0 H1 GLY A 1 1.619 -19.282 1.388 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.788 -18.334 2.525 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.080 -18.668 1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.546 -17.522 0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.956 -16.862 0.165 1.00 0.00 H new ATOM 10 N VAL A 2 2.372 -15.063 1.551 1.00 0.00 N ATOM 11 CA VAL A 2 2.654 -13.905 2.424 1.00 0.00 C ATOM 12 C VAL A 2 1.370 -13.319 3.033 1.00 0.00 C ATOM 13 O VAL A 2 1.258 -13.041 4.228 1.00 0.00 O ATOM 14 CB VAL A 2 3.449 -12.832 1.629 1.00 0.00 C ATOM 15 CG1 VAL A 2 2.682 -12.254 0.415 1.00 0.00 C ATOM 16 CG2 VAL A 2 3.965 -11.706 2.551 1.00 0.00 C ATOM 0 H VAL A 2 2.633 -14.926 0.575 1.00 0.00 H new ATOM 0 HA VAL A 2 3.264 -14.246 3.261 1.00 0.00 H new ATOM 0 HB VAL A 2 4.309 -13.359 1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.303 -11.512 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.442 -13.058 -0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.760 -11.784 0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.516 -10.975 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.120 -11.218 3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.624 -12.130 3.309 1.00 0.00 H new ATOM 26 N ILE A 3 0.373 -13.144 2.159 1.00 0.00 N ATOM 27 CA ILE A 3 -0.937 -12.586 2.543 1.00 0.00 C ATOM 28 C ILE A 3 -2.042 -13.290 1.735 1.00 0.00 C ATOM 29 O ILE A 3 -1.901 -13.525 0.534 1.00 0.00 O ATOM 30 CB ILE A 3 -0.933 -11.061 2.240 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.125 -10.322 3.100 1.00 0.00 C ATOM 32 CG2 ILE A 3 -2.332 -10.419 2.383 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.207 -8.801 2.856 1.00 0.00 C ATOM 0 H ILE A 3 0.446 -13.382 1.170 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.124 -12.743 3.605 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.653 -10.950 1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.097 -10.496 4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.103 -10.761 2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.268 -9.354 2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.023 -10.895 1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.692 -10.555 3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.973 -8.370 3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.463 -8.613 1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.756 -8.344 3.082 1.00 0.00 H new ATOM 45 N PRO A 4 -3.173 -13.647 2.362 1.00 0.00 N ATOM 46 CA PRO A 4 -4.264 -14.384 1.702 1.00 0.00 C ATOM 47 C PRO A 4 -5.176 -13.496 0.844 1.00 0.00 C ATOM 48 O PRO A 4 -5.147 -12.264 0.858 1.00 0.00 O ATOM 49 CB PRO A 4 -5.050 -14.952 2.894 1.00 0.00 C ATOM 50 CG PRO A 4 -4.933 -13.839 3.924 1.00 0.00 C ATOM 51 CD PRO A 4 -3.469 -13.398 3.785 1.00 0.00 C ATOM 0 HA PRO A 4 -3.881 -15.129 1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -6.089 -15.158 2.635 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.621 -15.886 3.255 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.623 -13.021 3.716 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -5.154 -14.195 4.930 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.339 -12.347 4.045 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.812 -13.972 4.439 1.00 0.00 H new ATOM 59 N LYS A 5 -6.036 -14.192 0.096 1.00 0.00 N ATOM 60 CA LYS A 5 -7.031 -13.554 -0.789 1.00 0.00 C ATOM 61 C LYS A 5 -7.918 -12.558 -0.029 1.00 0.00 C ATOM 62 O LYS A 5 -8.159 -11.425 -0.446 1.00 0.00 O ATOM 63 CB LYS A 5 -7.916 -14.665 -1.400 1.00 0.00 C ATOM 64 CG LYS A 5 -8.986 -14.127 -2.375 1.00 0.00 C ATOM 65 CD LYS A 5 -9.871 -15.239 -2.977 1.00 0.00 C ATOM 66 CE LYS A 5 -10.719 -15.977 -1.920 1.00 0.00 C ATOM 67 NZ LYS A 5 -11.549 -16.994 -2.583 1.00 0.00 N ATOM 0 H LYS A 5 -6.067 -15.211 0.082 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.503 -12.998 -1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.281 -15.378 -1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.409 -15.211 -0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.619 -13.411 -1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.493 -13.586 -3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.533 -14.803 -3.725 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.237 -15.960 -3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.070 -16.447 -1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.351 -15.268 -1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.121 -17.492 -1.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.177 -16.534 -3.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.936 -17.676 -3.074 1.00 0.00 H new ATOM 81 N LYS A 6 -8.407 -13.025 1.124 1.00 0.00 N ATOM 82 CA LYS A 6 -9.300 -12.229 1.987 1.00 0.00 C ATOM 83 C LYS A 6 -8.725 -10.841 2.299 1.00 0.00 C ATOM 84 O LYS A 6 -9.346 -9.805 2.066 1.00 0.00 O ATOM 85 CB LYS A 6 -9.552 -13.007 3.298 1.00 0.00 C ATOM 86 CG LYS A 6 -10.452 -12.260 4.311 1.00 0.00 C ATOM 87 CD LYS A 6 -11.842 -11.877 3.754 1.00 0.00 C ATOM 88 CE LYS A 6 -12.681 -13.086 3.285 1.00 0.00 C ATOM 89 NZ LYS A 6 -12.918 -13.998 4.413 1.00 0.00 N ATOM 0 H LYS A 6 -8.201 -13.956 1.487 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.236 -12.070 1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.012 -13.965 3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.594 -13.223 3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.585 -12.886 5.193 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.940 -11.354 4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.396 -11.339 4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.711 -11.191 2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.632 -12.743 2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.161 -13.612 2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.593 -14.736 4.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.020 -14.440 4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.309 -13.464 5.215 1.00 0.00 H new ATOM 103 N ILE A 7 -7.498 -10.839 2.829 1.00 0.00 N ATOM 104 CA ILE A 7 -6.813 -9.584 3.192 1.00 0.00 C ATOM 105 C ILE A 7 -6.655 -8.640 1.993 1.00 0.00 C ATOM 106 O ILE A 7 -6.918 -7.443 2.072 1.00 0.00 O ATOM 107 CB ILE A 7 -5.436 -9.886 3.839 1.00 0.00 C ATOM 108 CG1 ILE A 7 -5.578 -10.649 5.178 1.00 0.00 C ATOM 109 CG2 ILE A 7 -4.577 -8.608 4.016 1.00 0.00 C ATOM 110 CD1 ILE A 7 -6.300 -9.851 6.286 1.00 0.00 C ATOM 0 H ILE A 7 -6.958 -11.683 3.017 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.441 -9.071 3.920 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.909 -10.538 3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.123 -11.576 4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.585 -10.926 5.533 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.623 -8.871 4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.400 -8.151 3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.104 -7.902 4.658 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.358 -10.456 7.191 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.745 -8.936 6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.307 -9.597 5.954 1.00 0.00 H new ATOM 122 N TRP A 8 -6.205 -9.197 0.864 1.00 0.00 N ATOM 123 CA TRP A 8 -6.015 -8.408 -0.371 1.00 0.00 C ATOM 124 C TRP A 8 -7.271 -7.630 -0.796 1.00 0.00 C ATOM 125 O TRP A 8 -7.230 -6.471 -1.211 1.00 0.00 O ATOM 126 CB TRP A 8 -5.542 -9.325 -1.518 1.00 0.00 C ATOM 127 CG TRP A 8 -4.093 -9.773 -1.288 1.00 0.00 C ATOM 128 CD1 TRP A 8 -3.605 -11.087 -1.374 1.00 0.00 C ATOM 129 CD2 TRP A 8 -2.965 -8.975 -1.001 1.00 0.00 C ATOM 130 NE1 TRP A 8 -2.265 -11.127 -1.150 1.00 0.00 N ATOM 131 CE2 TRP A 8 -1.851 -9.850 -0.921 1.00 0.00 C ATOM 132 CE3 TRP A 8 -2.781 -7.599 -0.839 1.00 0.00 C ATOM 133 CZ2 TRP A 8 -0.583 -9.322 -0.662 1.00 0.00 C ATOM 134 CZ3 TRP A 8 -1.508 -7.087 -0.585 1.00 0.00 C ATOM 135 CH2 TRP A 8 -0.411 -7.946 -0.493 1.00 0.00 C ATOM 0 H TRP A 8 -5.965 -10.184 0.773 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.250 -7.663 -0.151 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -6.192 -10.198 -1.585 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.619 -8.797 -2.468 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.214 -11.952 -1.590 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.677 -11.961 -1.153 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.626 -6.930 -0.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.269 -9.982 -0.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.371 -6.023 -0.459 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.572 -7.546 -0.291 1.00 0.00 H new ATOM 146 N GLU A 9 -8.417 -8.307 -0.694 1.00 0.00 N ATOM 147 CA GLU A 9 -9.713 -7.683 -1.017 1.00 0.00 C ATOM 148 C GLU A 9 -10.155 -6.634 0.012 1.00 0.00 C ATOM 149 O GLU A 9 -10.751 -5.605 -0.304 1.00 0.00 O ATOM 150 CB GLU A 9 -10.794 -8.770 -1.203 1.00 0.00 C ATOM 151 CG GLU A 9 -10.459 -9.718 -2.380 1.00 0.00 C ATOM 152 CD GLU A 9 -10.204 -8.911 -3.663 1.00 0.00 C ATOM 153 OE1 GLU A 9 -11.152 -8.340 -4.202 1.00 0.00 O ATOM 154 OE2 GLU A 9 -9.055 -8.851 -4.101 1.00 0.00 O ATOM 0 H GLU A 9 -8.480 -9.280 -0.393 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.580 -7.143 -1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.888 -9.350 -0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.759 -8.296 -1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.579 -10.313 -2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.282 -10.415 -2.539 1.00 0.00 H new ATOM 161 N THR A 10 -9.867 -6.922 1.285 1.00 0.00 N ATOM 162 CA THR A 10 -10.165 -5.982 2.384 1.00 0.00 C ATOM 163 C THR A 10 -9.438 -4.641 2.192 1.00 0.00 C ATOM 164 O THR A 10 -10.000 -3.550 2.286 1.00 0.00 O ATOM 165 CB THR A 10 -9.757 -6.627 3.733 1.00 0.00 C ATOM 166 OG1 THR A 10 -10.543 -7.803 3.952 1.00 0.00 O ATOM 167 CG2 THR A 10 -9.933 -5.684 4.945 1.00 0.00 C ATOM 0 H THR A 10 -9.430 -7.793 1.585 1.00 0.00 H new ATOM 0 HA THR A 10 -11.235 -5.776 2.383 1.00 0.00 H new ATOM 0 HB THR A 10 -8.695 -6.862 3.656 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.223 -8.523 3.370 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.629 -6.201 5.855 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.316 -4.796 4.808 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.979 -5.389 5.028 1.00 0.00 H new ATOM 175 N VAL A 11 -8.138 -4.757 1.915 1.00 0.00 N ATOM 176 CA VAL A 11 -7.256 -3.587 1.754 1.00 0.00 C ATOM 177 C VAL A 11 -7.496 -2.818 0.443 1.00 0.00 C ATOM 178 O VAL A 11 -7.265 -1.616 0.369 1.00 0.00 O ATOM 179 CB VAL A 11 -5.767 -3.997 1.883 1.00 0.00 C ATOM 180 CG1 VAL A 11 -5.478 -4.653 3.254 1.00 0.00 C ATOM 181 CG2 VAL A 11 -5.278 -4.886 0.719 1.00 0.00 C ATOM 0 H VAL A 11 -7.665 -5.653 1.796 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.509 -2.902 2.563 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.192 -3.073 1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.425 -4.928 3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.712 -3.948 4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.093 -5.546 3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.228 -5.138 0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.870 -5.801 0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.391 -4.348 -0.222 1.00 0.00 H new ATOM 191 N CYS A 12 -7.966 -3.540 -0.591 1.00 0.00 N ATOM 192 CA CYS A 12 -8.197 -2.993 -1.953 1.00 0.00 C ATOM 193 C CYS A 12 -8.478 -1.477 -2.031 1.00 0.00 C ATOM 194 O CYS A 12 -7.704 -0.738 -2.638 1.00 0.00 O ATOM 195 CB CYS A 12 -9.379 -3.735 -2.626 1.00 0.00 C ATOM 196 SG CYS A 12 -8.975 -5.264 -3.510 1.00 0.00 S ATOM 0 H CYS A 12 -8.200 -4.529 -0.510 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.251 -3.155 -2.470 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.116 -3.969 -1.858 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.856 -3.051 -3.328 1.00 0.00 H new ATOM 201 N PRO A 13 -9.564 -0.964 -1.429 1.00 0.00 N ATOM 202 CA PRO A 13 -9.933 0.464 -1.496 1.00 0.00 C ATOM 203 C PRO A 13 -8.936 1.391 -0.787 1.00 0.00 C ATOM 204 O PRO A 13 -8.539 2.449 -1.275 1.00 0.00 O ATOM 205 CB PRO A 13 -11.314 0.513 -0.818 1.00 0.00 C ATOM 206 CG PRO A 13 -11.265 -0.640 0.172 1.00 0.00 C ATOM 207 CD PRO A 13 -10.529 -1.729 -0.620 1.00 0.00 C ATOM 0 HA PRO A 13 -9.935 0.824 -2.525 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.481 1.466 -0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.120 0.388 -1.541 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.731 -0.370 1.083 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.263 -0.960 0.471 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.029 -2.438 0.040 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.212 -2.303 -1.245 1.00 0.00 H new ATOM 215 N THR A 14 -8.535 0.966 0.414 1.00 0.00 N ATOM 216 CA THR A 14 -7.634 1.752 1.276 1.00 0.00 C ATOM 217 C THR A 14 -6.272 2.016 0.609 1.00 0.00 C ATOM 218 O THR A 14 -5.758 3.133 0.559 1.00 0.00 O ATOM 219 CB THR A 14 -7.434 0.999 2.615 1.00 0.00 C ATOM 220 OG1 THR A 14 -8.711 0.675 3.175 1.00 0.00 O ATOM 221 CG2 THR A 14 -6.656 1.845 3.640 1.00 0.00 C ATOM 0 H THR A 14 -8.821 0.074 0.819 1.00 0.00 H new ATOM 0 HA THR A 14 -8.095 2.724 1.452 1.00 0.00 H new ATOM 0 HB THR A 14 -6.859 0.098 2.401 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.585 0.197 4.021 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.538 1.279 4.564 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.673 2.091 3.238 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.205 2.764 3.845 1.00 0.00 H new ATOM 229 N VAL A 15 -5.680 0.932 0.097 1.00 0.00 N ATOM 230 CA VAL A 15 -4.373 0.987 -0.590 1.00 0.00 C ATOM 231 C VAL A 15 -4.428 1.710 -1.946 1.00 0.00 C ATOM 232 O VAL A 15 -3.484 2.371 -2.378 1.00 0.00 O ATOM 233 CB VAL A 15 -3.786 -0.439 -0.763 1.00 0.00 C ATOM 234 CG1 VAL A 15 -3.588 -1.133 0.600 1.00 0.00 C ATOM 235 CG2 VAL A 15 -4.603 -1.334 -1.723 1.00 0.00 C ATOM 0 H VAL A 15 -6.084 -0.003 0.143 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.716 1.576 0.050 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.812 -0.301 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.176 -2.130 0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.901 -0.547 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.548 -1.213 1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.133 -2.315 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.618 -1.445 -1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.635 -0.874 -2.711 1.00 0.00 H new ATOM 245 N GLU A 16 -5.576 1.566 -2.619 1.00 0.00 N ATOM 246 CA GLU A 16 -5.798 2.084 -3.986 1.00 0.00 C ATOM 247 C GLU A 16 -5.215 3.487 -4.263 1.00 0.00 C ATOM 248 O GLU A 16 -4.455 3.648 -5.217 1.00 0.00 O ATOM 249 CB GLU A 16 -7.314 2.086 -4.283 1.00 0.00 C ATOM 250 CG GLU A 16 -7.665 2.552 -5.713 1.00 0.00 C ATOM 251 CD GLU A 16 -9.189 2.548 -5.902 1.00 0.00 C ATOM 252 OE1 GLU A 16 -9.789 1.475 -5.862 1.00 0.00 O ATOM 253 OE2 GLU A 16 -9.759 3.623 -6.084 1.00 0.00 O ATOM 0 H GLU A 16 -6.387 1.084 -2.232 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.253 1.412 -4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.706 1.080 -4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.815 2.735 -3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.271 3.553 -5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.197 1.894 -6.445 1.00 0.00 H new ATOM 260 N PRO A 17 -5.532 4.529 -3.476 1.00 0.00 N ATOM 261 CA PRO A 17 -5.042 5.902 -3.712 1.00 0.00 C ATOM 262 C PRO A 17 -3.514 6.010 -3.765 1.00 0.00 C ATOM 263 O PRO A 17 -2.924 6.586 -4.678 1.00 0.00 O ATOM 264 CB PRO A 17 -5.619 6.719 -2.539 1.00 0.00 C ATOM 265 CG PRO A 17 -5.885 5.674 -1.465 1.00 0.00 C ATOM 266 CD PRO A 17 -6.392 4.483 -2.284 1.00 0.00 C ATOM 0 HA PRO A 17 -5.362 6.265 -4.689 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.915 7.476 -2.195 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.533 7.240 -2.825 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.983 5.428 -0.905 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.626 6.014 -0.741 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.285 3.543 -1.742 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.447 4.586 -2.540 1.00 0.00 H new ATOM 274 N TRP A 18 -2.862 5.429 -2.753 1.00 0.00 N ATOM 275 CA TRP A 18 -1.392 5.504 -2.653 1.00 0.00 C ATOM 276 C TRP A 18 -0.706 4.742 -3.790 1.00 0.00 C ATOM 277 O TRP A 18 0.132 5.262 -4.521 1.00 0.00 O ATOM 278 CB TRP A 18 -0.889 4.944 -1.306 1.00 0.00 C ATOM 279 CG TRP A 18 -1.683 5.545 -0.145 1.00 0.00 C ATOM 280 CD1 TRP A 18 -1.904 6.904 0.127 1.00 0.00 C ATOM 281 CD2 TRP A 18 -2.356 4.842 0.865 1.00 0.00 C ATOM 282 NE1 TRP A 18 -2.681 7.055 1.234 1.00 0.00 N ATOM 283 CE2 TRP A 18 -2.970 5.807 1.703 1.00 0.00 C ATOM 284 CE3 TRP A 18 -2.490 3.481 1.141 1.00 0.00 C ATOM 285 CZ2 TRP A 18 -3.720 5.372 2.799 1.00 0.00 C ATOM 286 CZ3 TRP A 18 -3.242 3.065 2.238 1.00 0.00 C ATOM 287 CH2 TRP A 18 -3.856 4.008 3.063 1.00 0.00 C ATOM 0 H TRP A 18 -3.315 4.909 -2.001 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.134 6.561 -2.725 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.987 3.858 -1.298 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.171 5.169 -1.185 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.511 7.719 -0.462 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.990 7.939 1.639 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.012 2.751 0.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.197 6.095 3.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.350 2.011 2.450 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.440 3.681 3.911 1.00 0.00 H new ATOM 298 N ALA A 19 -1.093 3.469 -3.929 1.00 0.00 N ATOM 299 CA ALA A 19 -0.547 2.575 -4.971 1.00 0.00 C ATOM 300 C ALA A 19 -0.584 3.212 -6.367 1.00 0.00 C ATOM 301 O ALA A 19 0.375 3.199 -7.140 1.00 0.00 O ATOM 302 CB ALA A 19 -1.360 1.264 -4.979 1.00 0.00 C ATOM 0 H ALA A 19 -1.789 3.026 -3.329 1.00 0.00 H new ATOM 0 HA ALA A 19 0.499 2.382 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.966 0.596 -5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.284 0.783 -4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.405 1.485 -5.194 1.00 0.00 H new ATOM 308 N LYS A 20 -1.751 3.785 -6.679 1.00 0.00 N ATOM 309 CA LYS A 20 -1.954 4.544 -7.927 1.00 0.00 C ATOM 310 C LYS A 20 -0.933 5.684 -8.052 1.00 0.00 C ATOM 311 O LYS A 20 -0.222 5.845 -9.044 1.00 0.00 O ATOM 312 CB LYS A 20 -3.390 5.118 -7.916 1.00 0.00 C ATOM 313 CG LYS A 20 -3.718 5.973 -9.158 1.00 0.00 C ATOM 314 CD LYS A 20 -5.152 6.538 -9.114 1.00 0.00 C ATOM 315 CE LYS A 20 -5.478 7.428 -10.331 1.00 0.00 C ATOM 316 NZ LYS A 20 -4.589 8.601 -10.344 1.00 0.00 N ATOM 0 H LYS A 20 -2.577 3.739 -6.083 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.815 3.881 -8.781 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.102 4.295 -7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.524 5.725 -7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.007 6.796 -9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.595 5.368 -10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.862 5.712 -9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.282 7.117 -8.200 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.357 6.858 -11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.519 7.750 -10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.966 9.315 -10.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.532 9.004 -9.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.639 8.313 -10.656 1.00 0.00 H new ATOM 330 N LYS A 21 -0.892 6.499 -6.996 1.00 0.00 N ATOM 331 CA LYS A 21 0.074 7.608 -6.885 1.00 0.00 C ATOM 332 C LYS A 21 1.411 7.120 -6.297 1.00 0.00 C ATOM 333 O LYS A 21 1.934 7.597 -5.287 1.00 0.00 O ATOM 334 CB LYS A 21 -0.546 8.702 -5.985 1.00 0.00 C ATOM 335 CG LYS A 21 -1.867 9.275 -6.547 1.00 0.00 C ATOM 336 CD LYS A 21 -2.520 10.305 -5.601 1.00 0.00 C ATOM 337 CE LYS A 21 -3.056 9.675 -4.297 1.00 0.00 C ATOM 338 NZ LYS A 21 -3.548 10.732 -3.404 1.00 0.00 N ATOM 0 H LYS A 21 -1.520 6.415 -6.196 1.00 0.00 H new ATOM 0 HA LYS A 21 0.283 8.011 -7.876 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.730 8.287 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.172 9.513 -5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.673 9.745 -7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.566 8.458 -6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.790 11.075 -5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.340 10.800 -6.122 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.859 8.974 -4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.267 9.107 -3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.908 10.305 -2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.771 11.385 -3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.314 11.255 -3.874 1.00 0.00 H new ATOM 352 N CYS A 22 1.981 6.118 -6.970 1.00 0.00 N ATOM 353 CA CYS A 22 3.254 5.511 -6.534 1.00 0.00 C ATOM 354 C CYS A 22 3.863 4.662 -7.660 1.00 0.00 C ATOM 355 O CYS A 22 3.275 4.411 -8.713 1.00 0.00 O ATOM 356 CB CYS A 22 2.995 4.619 -5.294 1.00 0.00 C ATOM 357 SG CYS A 22 4.518 4.026 -4.524 1.00 0.00 S ATOM 0 H CYS A 22 1.588 5.707 -7.817 1.00 0.00 H new ATOM 0 HA CYS A 22 3.956 6.306 -6.281 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.419 5.183 -4.561 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.386 3.764 -5.588 1.00 0.00 H new ATOM 362 N SER A 23 5.088 4.198 -7.402 1.00 0.00 N ATOM 363 CA SER A 23 5.838 3.385 -8.379 1.00 0.00 C ATOM 364 C SER A 23 6.684 2.308 -7.681 1.00 0.00 C ATOM 365 O SER A 23 6.727 2.159 -6.459 1.00 0.00 O ATOM 366 CB SER A 23 6.763 4.322 -9.191 1.00 0.00 C ATOM 367 OG SER A 23 5.982 5.292 -9.897 1.00 0.00 O ATOM 0 H SER A 23 5.586 4.368 -6.528 1.00 0.00 H new ATOM 0 HA SER A 23 5.129 2.880 -9.034 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.463 4.824 -8.523 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.357 3.739 -9.895 1.00 0.00 H new ATOM 0 HG SER A 23 6.576 5.882 -10.407 1.00 0.00 H new ATOM 373 N GLY A 24 7.373 1.527 -8.519 1.00 0.00 N ATOM 374 CA GLY A 24 8.268 0.457 -8.042 1.00 0.00 C ATOM 375 C GLY A 24 7.616 -0.929 -8.081 1.00 0.00 C ATOM 376 O GLY A 24 6.436 -1.129 -8.365 1.00 0.00 O ATOM 0 H GLY A 24 7.331 1.613 -9.535 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.170 0.446 -8.654 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.578 0.678 -7.021 1.00 0.00 H new ATOM 380 N ASP A 25 8.458 -1.915 -7.762 1.00 0.00 N ATOM 381 CA ASP A 25 8.065 -3.338 -7.782 1.00 0.00 C ATOM 382 C ASP A 25 6.928 -3.650 -6.806 1.00 0.00 C ATOM 383 O ASP A 25 5.981 -4.380 -7.096 1.00 0.00 O ATOM 384 CB ASP A 25 9.295 -4.215 -7.424 1.00 0.00 C ATOM 385 CG ASP A 25 10.452 -4.101 -8.443 1.00 0.00 C ATOM 386 OD1 ASP A 25 10.311 -3.446 -9.476 1.00 0.00 O ATOM 387 OD2 ASP A 25 11.498 -4.692 -8.183 1.00 0.00 O ATOM 0 H ASP A 25 9.427 -1.758 -7.483 1.00 0.00 H new ATOM 0 HA ASP A 25 7.705 -3.560 -8.787 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.661 -3.929 -6.438 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.981 -5.257 -7.358 1.00 0.00 H new ATOM 392 N ILE A 26 7.053 -3.086 -5.603 1.00 0.00 N ATOM 393 CA ILE A 26 6.062 -3.295 -4.529 1.00 0.00 C ATOM 394 C ILE A 26 4.675 -2.768 -4.930 1.00 0.00 C ATOM 395 O ILE A 26 3.641 -3.402 -4.731 1.00 0.00 O ATOM 396 CB ILE A 26 6.530 -2.591 -3.233 1.00 0.00 C ATOM 397 CG1 ILE A 26 7.993 -2.933 -2.857 1.00 0.00 C ATOM 398 CG2 ILE A 26 5.576 -2.912 -2.062 1.00 0.00 C ATOM 399 CD1 ILE A 26 8.243 -4.435 -2.596 1.00 0.00 C ATOM 0 H ILE A 26 7.830 -2.479 -5.341 1.00 0.00 H new ATOM 0 HA ILE A 26 5.981 -4.368 -4.357 1.00 0.00 H new ATOM 0 HB ILE A 26 6.500 -1.520 -3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.650 -2.601 -3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.269 -2.370 -1.966 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.924 -2.407 -1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.571 -2.567 -2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.559 -3.988 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.291 -4.590 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.614 -4.771 -1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.001 -5.005 -3.493 1.00 0.00 H new ATOM 411 N ALA A 27 4.670 -1.552 -5.491 1.00 0.00 N ATOM 412 CA ALA A 27 3.430 -0.935 -6.003 1.00 0.00 C ATOM 413 C ALA A 27 2.722 -1.853 -7.012 1.00 0.00 C ATOM 414 O ALA A 27 1.518 -2.101 -6.970 1.00 0.00 O ATOM 415 CB ALA A 27 3.763 0.414 -6.673 1.00 0.00 C ATOM 0 H ALA A 27 5.504 -0.975 -5.604 1.00 0.00 H new ATOM 0 HA ALA A 27 2.757 -0.776 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.847 0.869 -7.051 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.224 1.079 -5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.454 0.249 -7.500 1.00 0.00 H new ATOM 421 N THR A 28 3.530 -2.367 -7.945 1.00 0.00 N ATOM 422 CA THR A 28 3.058 -3.316 -8.972 1.00 0.00 C ATOM 423 C THR A 28 2.489 -4.604 -8.354 1.00 0.00 C ATOM 424 O THR A 28 1.512 -5.190 -8.818 1.00 0.00 O ATOM 425 CB THR A 28 4.232 -3.658 -9.922 1.00 0.00 C ATOM 426 OG1 THR A 28 4.739 -2.452 -10.502 1.00 0.00 O ATOM 427 CG2 THR A 28 3.828 -4.619 -11.061 1.00 0.00 C ATOM 0 H THR A 28 4.523 -2.143 -8.014 1.00 0.00 H new ATOM 0 HA THR A 28 2.248 -2.841 -9.526 1.00 0.00 H new ATOM 0 HB THR A 28 4.989 -4.160 -9.320 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.296 -1.983 -9.847 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.694 -4.820 -11.692 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.464 -5.554 -10.636 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.041 -4.162 -11.660 1.00 0.00 H new ATOM 435 N TYR A 29 3.146 -5.061 -7.281 1.00 0.00 N ATOM 436 CA TYR A 29 2.745 -6.301 -6.595 1.00 0.00 C ATOM 437 C TYR A 29 1.331 -6.189 -6.014 1.00 0.00 C ATOM 438 O TYR A 29 0.428 -6.960 -6.335 1.00 0.00 O ATOM 439 CB TYR A 29 3.780 -6.648 -5.496 1.00 0.00 C ATOM 440 CG TYR A 29 3.462 -7.921 -4.735 1.00 0.00 C ATOM 441 CD1 TYR A 29 2.420 -7.948 -3.803 1.00 0.00 C ATOM 442 CD2 TYR A 29 4.193 -9.084 -4.991 1.00 0.00 C ATOM 443 CE1 TYR A 29 2.106 -9.134 -3.138 1.00 0.00 C ATOM 444 CE2 TYR A 29 3.877 -10.272 -4.324 1.00 0.00 C ATOM 445 CZ TYR A 29 2.830 -10.297 -3.401 1.00 0.00 C ATOM 446 OH TYR A 29 2.507 -11.473 -2.753 1.00 0.00 O ATOM 0 H TYR A 29 3.954 -4.595 -6.869 1.00 0.00 H new ATOM 0 HA TYR A 29 2.724 -7.111 -7.325 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.764 -6.746 -5.955 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.839 -5.819 -4.791 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.857 -7.049 -3.597 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.003 -9.066 -5.705 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.301 -9.151 -2.418 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.443 -11.170 -4.523 1.00 0.00 H new ATOM 0 HH TYR A 29 1.554 -11.664 -2.878 1.00 0.00 H new ATOM 456 N ILE A 30 1.146 -5.186 -5.149 1.00 0.00 N ATOM 457 CA ILE A 30 -0.152 -4.926 -4.492 1.00 0.00 C ATOM 458 C ILE A 30 -1.287 -4.785 -5.521 1.00 0.00 C ATOM 459 O ILE A 30 -2.387 -5.322 -5.385 1.00 0.00 O ATOM 460 CB ILE A 30 -0.043 -3.637 -3.633 1.00 0.00 C ATOM 461 CG1 ILE A 30 1.035 -3.792 -2.529 1.00 0.00 C ATOM 462 CG2 ILE A 30 -1.409 -3.237 -3.024 1.00 0.00 C ATOM 463 CD1 ILE A 30 1.312 -2.481 -1.763 1.00 0.00 C ATOM 0 H ILE A 30 1.882 -4.532 -4.882 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.392 -5.776 -3.853 1.00 0.00 H new ATOM 0 HB ILE A 30 0.266 -2.830 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.715 -4.558 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.962 -4.144 -2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.291 -2.331 -2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.125 -3.055 -3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.774 -4.043 -2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.075 -2.657 -1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.661 -1.719 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.395 -2.140 -1.282 1.00 0.00 H new ATOM 475 N LYS A 31 -0.981 -4.018 -6.573 1.00 0.00 N ATOM 476 CA LYS A 31 -1.890 -3.835 -7.720 1.00 0.00 C ATOM 477 C LYS A 31 -2.386 -5.184 -8.261 1.00 0.00 C ATOM 478 O LYS A 31 -3.572 -5.415 -8.491 1.00 0.00 O ATOM 479 CB LYS A 31 -1.129 -3.033 -8.807 1.00 0.00 C ATOM 480 CG LYS A 31 -1.889 -2.744 -10.128 1.00 0.00 C ATOM 481 CD LYS A 31 -2.104 -3.961 -11.059 1.00 0.00 C ATOM 482 CE LYS A 31 -0.797 -4.705 -11.407 1.00 0.00 C ATOM 483 NZ LYS A 31 -1.109 -5.855 -12.267 1.00 0.00 N ATOM 0 H LYS A 31 -0.102 -3.507 -6.658 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.778 -3.285 -7.408 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.826 -2.079 -8.375 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.217 -3.576 -9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.863 -2.323 -9.880 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.342 -1.980 -10.680 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.793 -4.657 -10.581 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.578 -3.625 -11.981 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.106 -4.032 -11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.302 -5.041 -10.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.260 -6.445 -12.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.867 -6.419 -11.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.421 -5.517 -13.199 1.00 0.00 H new ATOM 497 N ARG A 32 -1.430 -6.095 -8.455 1.00 0.00 N ATOM 498 CA ARG A 32 -1.732 -7.448 -8.955 1.00 0.00 C ATOM 499 C ARG A 32 -2.658 -8.231 -8.010 1.00 0.00 C ATOM 500 O ARG A 32 -3.575 -8.938 -8.424 1.00 0.00 O ATOM 501 CB ARG A 32 -0.417 -8.232 -9.166 1.00 0.00 C ATOM 502 CG ARG A 32 -0.650 -9.607 -9.828 1.00 0.00 C ATOM 503 CD ARG A 32 0.653 -10.402 -10.024 1.00 0.00 C ATOM 504 NE ARG A 32 0.341 -11.694 -10.662 1.00 0.00 N ATOM 505 CZ ARG A 32 1.291 -12.586 -10.941 1.00 0.00 C ATOM 506 NH1 ARG A 32 2.569 -12.352 -10.651 1.00 0.00 N ATOM 507 NH2 ARG A 32 0.955 -13.734 -11.522 1.00 0.00 N ATOM 0 H ARG A 32 -0.440 -5.926 -8.275 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.258 -7.334 -9.903 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.258 -7.643 -9.787 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.076 -8.374 -8.204 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.337 -10.189 -9.214 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.131 -9.463 -10.795 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.349 -9.836 -10.643 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.141 -10.566 -9.063 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.628 -11.911 -10.896 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.839 -11.475 -10.206 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.279 -13.050 -10.874 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.021 -13.924 -11.749 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.673 -14.424 -11.740 1.00 0.00 H new ATOM 521 N GLU A 33 -2.400 -8.109 -6.702 1.00 0.00 N ATOM 522 CA GLU A 33 -3.159 -8.878 -5.694 1.00 0.00 C ATOM 523 C GLU A 33 -4.661 -8.563 -5.734 1.00 0.00 C ATOM 524 O GLU A 33 -5.520 -9.418 -5.951 1.00 0.00 O ATOM 525 CB GLU A 33 -2.630 -8.586 -4.271 1.00 0.00 C ATOM 526 CG GLU A 33 -1.106 -8.749 -4.078 1.00 0.00 C ATOM 527 CD GLU A 33 -0.622 -10.133 -4.527 1.00 0.00 C ATOM 528 OE1 GLU A 33 -0.410 -10.326 -5.725 1.00 0.00 O ATOM 529 OE2 GLU A 33 -0.469 -11.007 -3.676 1.00 0.00 O ATOM 0 H GLU A 33 -1.683 -7.495 -6.315 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.018 -9.931 -5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.905 -7.566 -4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.140 -9.248 -3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.583 -7.979 -4.645 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.854 -8.598 -3.028 1.00 0.00 H new ATOM 536 N CYS A 34 -4.968 -7.282 -5.514 1.00 0.00 N ATOM 537 CA CYS A 34 -6.361 -6.796 -5.532 1.00 0.00 C ATOM 538 C CYS A 34 -6.998 -6.943 -6.922 1.00 0.00 C ATOM 539 O CYS A 34 -8.059 -7.537 -7.121 1.00 0.00 O ATOM 540 CB CYS A 34 -6.379 -5.307 -5.114 1.00 0.00 C ATOM 541 SG CYS A 34 -8.055 -4.625 -5.191 1.00 0.00 S ATOM 0 H CYS A 34 -4.275 -6.559 -5.321 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.942 -7.399 -4.834 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.989 -5.206 -4.101 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.720 -4.735 -5.768 1.00 0.00 H new ATOM 546 N GLY A 35 -6.294 -6.373 -7.906 1.00 0.00 N ATOM 547 CA GLY A 35 -6.769 -6.287 -9.300 1.00 0.00 C ATOM 548 C GLY A 35 -7.101 -7.647 -9.924 1.00 0.00 C ATOM 549 O GLY A 35 -8.185 -7.884 -10.457 1.00 0.00 O ATOM 0 H GLY A 35 -5.375 -5.955 -7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.657 -5.656 -9.333 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.006 -5.797 -9.905 1.00 0.00 H new ATOM 553 N LYS A 36 -6.110 -8.543 -9.880 1.00 0.00 N ATOM 554 CA LYS A 36 -6.274 -9.920 -10.388 1.00 0.00 C ATOM 555 C LYS A 36 -6.944 -10.821 -9.330 1.00 0.00 C ATOM 556 O LYS A 36 -6.444 -11.860 -8.896 1.00 0.00 O ATOM 557 CB LYS A 36 -4.882 -10.475 -10.782 1.00 0.00 C ATOM 558 CG LYS A 36 -4.945 -11.787 -11.597 1.00 0.00 C ATOM 559 CD LYS A 36 -3.553 -12.422 -11.825 1.00 0.00 C ATOM 560 CE LYS A 36 -2.568 -11.517 -12.595 1.00 0.00 C ATOM 561 NZ LYS A 36 -3.110 -11.206 -13.927 1.00 0.00 N ATOM 0 H LYS A 36 -5.185 -8.345 -9.499 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.923 -9.909 -11.263 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.351 -9.721 -11.364 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.300 -10.647 -9.877 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.584 -12.501 -11.077 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.410 -11.587 -12.562 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.118 -12.675 -10.858 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.677 -13.356 -12.373 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.396 -10.596 -12.039 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.603 -12.015 -12.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.394 -10.697 -14.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.363 -12.090 -14.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.957 -10.611 -13.827 1.00 0.00 H new ATOM 575 N LEU A 37 -8.135 -10.383 -8.913 1.00 0.00 N ATOM 576 CA LEU A 37 -8.944 -11.102 -7.914 1.00 0.00 C ATOM 577 C LEU A 37 -10.338 -10.443 -7.851 1.00 0.00 C ATOM 578 O LEU A 37 -10.552 -9.530 -7.052 1.00 0.00 O ATOM 579 CB LEU A 37 -8.229 -11.097 -6.530 1.00 0.00 C ATOM 580 CG LEU A 37 -8.743 -12.153 -5.520 1.00 0.00 C ATOM 581 CD1 LEU A 37 -10.263 -12.083 -5.244 1.00 0.00 C ATOM 582 CD2 LEU A 37 -8.328 -13.575 -5.954 1.00 0.00 C ATOM 583 OXT LEU A 37 -11.195 -10.833 -8.642 1.00 0.00 O ATOM 0 H LEU A 37 -8.568 -9.525 -9.254 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.063 -12.147 -8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.163 -11.258 -6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.339 -10.108 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.263 -11.909 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.539 -12.856 -4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.514 -11.104 -4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.809 -12.240 -6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.700 -14.300 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.750 -13.794 -6.935 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.241 -13.637 -6.004 1.00 0.00 H new TER 595 LEU A 37 ATOM 596 N TRP B 1 -5.917 1.516 11.175 1.00 0.00 N ATOM 597 CA TRP B 1 -6.240 0.618 10.057 1.00 0.00 C ATOM 598 C TRP B 1 -7.087 -0.568 10.557 1.00 0.00 C ATOM 599 O TRP B 1 -8.291 -0.662 10.326 1.00 0.00 O ATOM 600 CB TRP B 1 -4.907 0.152 9.414 1.00 0.00 C ATOM 601 CG TRP B 1 -5.145 -0.626 8.115 1.00 0.00 C ATOM 602 CD1 TRP B 1 -5.863 -1.824 7.953 1.00 0.00 C ATOM 603 CD2 TRP B 1 -4.709 -0.277 6.825 1.00 0.00 C ATOM 604 NE1 TRP B 1 -5.894 -2.203 6.646 1.00 0.00 N ATOM 605 CE2 TRP B 1 -5.197 -1.269 5.935 1.00 0.00 C ATOM 606 CE3 TRP B 1 -3.941 0.782 6.339 1.00 0.00 C ATOM 607 CZ2 TRP B 1 -4.912 -1.160 4.570 1.00 0.00 C ATOM 608 CZ3 TRP B 1 -3.660 0.873 4.975 1.00 0.00 C ATOM 609 CH2 TRP B 1 -4.146 -0.095 4.094 1.00 0.00 C ATOM 0 H1 TRP B 1 -6.466 2.395 11.084 1.00 0.00 H new ATOM 0 H2 TRP B 1 -6.155 1.050 12.074 1.00 0.00 H new ATOM 0 H3 TRP B 1 -4.901 1.739 11.159 1.00 0.00 H new ATOM 0 HA TRP B 1 -6.835 1.134 9.303 1.00 0.00 H new ATOM 0 HB2 TRP B 1 -4.279 1.019 9.209 1.00 0.00 H new ATOM 0 HB3 TRP B 1 -4.363 -0.476 10.120 1.00 0.00 H new ATOM 0 HD1 TRP B 1 -6.329 -2.371 8.759 1.00 0.00 H new ATOM 0 HE1 TRP B 1 -6.353 -3.032 6.268 1.00 0.00 H new ATOM 0 HE3 TRP B 1 -3.564 1.532 7.019 1.00 0.00 H new ATOM 0 HZ2 TRP B 1 -5.286 -1.903 3.881 1.00 0.00 H new ATOM 0 HZ3 TRP B 1 -3.066 1.693 4.600 1.00 0.00 H new ATOM 0 HH2 TRP B 1 -3.928 -0.019 3.039 1.00 0.00 H new ATOM 622 N SER B 2 -6.425 -1.470 11.293 1.00 0.00 N ATOM 623 CA SER B 2 -7.064 -2.641 11.933 1.00 0.00 C ATOM 624 C SER B 2 -6.139 -3.250 12.998 1.00 0.00 C ATOM 625 O SER B 2 -4.977 -2.885 13.179 1.00 0.00 O ATOM 626 CB SER B 2 -7.338 -3.754 10.894 1.00 0.00 C ATOM 627 OG SER B 2 -8.329 -3.352 9.944 1.00 0.00 O ATOM 0 H SER B 2 -5.421 -1.412 11.466 1.00 0.00 H new ATOM 0 HA SER B 2 -7.994 -2.289 12.379 1.00 0.00 H new ATOM 0 HB2 SER B 2 -6.413 -4.003 10.373 1.00 0.00 H new ATOM 0 HB3 SER B 2 -7.669 -4.658 11.406 1.00 0.00 H new ATOM 0 HG SER B 2 -8.534 -2.402 10.067 1.00 0.00 H new ATOM 633 N THR B 3 -6.683 -4.230 13.726 1.00 0.00 N ATOM 634 CA THR B 3 -5.872 -4.981 14.703 1.00 0.00 C ATOM 635 C THR B 3 -4.953 -5.976 13.975 1.00 0.00 C ATOM 636 O THR B 3 -3.722 -5.912 14.025 1.00 0.00 O ATOM 637 CB THR B 3 -6.792 -5.711 15.711 1.00 0.00 C ATOM 638 OG1 THR B 3 -7.644 -4.753 16.344 1.00 0.00 O ATOM 639 CG2 THR B 3 -5.995 -6.453 16.806 1.00 0.00 C ATOM 0 H THR B 3 -7.659 -4.521 13.664 1.00 0.00 H new ATOM 0 HA THR B 3 -5.246 -4.282 15.258 1.00 0.00 H new ATOM 0 HB THR B 3 -7.367 -6.449 15.152 1.00 0.00 H new ATOM 0 HG1 THR B 3 -8.231 -5.209 16.983 1.00 0.00 H new ATOM 0 HG21 THR B 3 -6.687 -6.948 17.487 1.00 0.00 H new ATOM 0 HG22 THR B 3 -5.347 -7.197 16.343 1.00 0.00 H new ATOM 0 HG23 THR B 3 -5.388 -5.738 17.362 1.00 0.00 H new ATOM 647 N ILE B 4 -5.590 -6.916 13.271 1.00 0.00 N ATOM 648 CA ILE B 4 -4.871 -7.943 12.495 1.00 0.00 C ATOM 649 C ILE B 4 -4.403 -7.399 11.137 1.00 0.00 C ATOM 650 O ILE B 4 -3.226 -7.428 10.776 1.00 0.00 O ATOM 651 CB ILE B 4 -5.771 -9.199 12.292 1.00 0.00 C ATOM 652 CG1 ILE B 4 -6.055 -9.983 13.600 1.00 0.00 C ATOM 653 CG2 ILE B 4 -5.204 -10.170 11.229 1.00 0.00 C ATOM 654 CD1 ILE B 4 -6.926 -9.239 14.632 1.00 0.00 C ATOM 0 H ILE B 4 -6.606 -6.991 13.220 1.00 0.00 H new ATOM 0 HA ILE B 4 -3.986 -8.228 13.063 1.00 0.00 H new ATOM 0 HB ILE B 4 -6.717 -8.792 11.936 1.00 0.00 H new ATOM 0 HG12 ILE B 4 -6.545 -10.922 13.343 1.00 0.00 H new ATOM 0 HG13 ILE B 4 -5.103 -10.237 14.067 1.00 0.00 H new ATOM 0 HG21 ILE B 4 -5.870 -11.027 11.127 1.00 0.00 H new ATOM 0 HG22 ILE B 4 -5.126 -9.656 10.271 1.00 0.00 H new ATOM 0 HG23 ILE B 4 -4.217 -10.512 11.539 1.00 0.00 H new ATOM 0 HD11 ILE B 4 -7.068 -9.869 15.510 1.00 0.00 H new ATOM 0 HD12 ILE B 4 -6.431 -8.313 14.925 1.00 0.00 H new ATOM 0 HD13 ILE B 4 -7.896 -9.008 14.191 1.00 0.00 H new ATOM 666 N VAL B 5 -5.376 -6.884 10.376 1.00 0.00 N ATOM 667 CA VAL B 5 -5.152 -6.488 8.971 1.00 0.00 C ATOM 668 C VAL B 5 -4.012 -5.474 8.815 1.00 0.00 C ATOM 669 O VAL B 5 -3.200 -5.558 7.896 1.00 0.00 O ATOM 670 CB VAL B 5 -6.450 -5.938 8.322 1.00 0.00 C ATOM 671 CG1 VAL B 5 -6.262 -5.628 6.821 1.00 0.00 C ATOM 672 CG2 VAL B 5 -7.652 -6.885 8.534 1.00 0.00 C ATOM 0 H VAL B 5 -6.329 -6.730 10.706 1.00 0.00 H new ATOM 0 HA VAL B 5 -4.855 -7.396 8.447 1.00 0.00 H new ATOM 0 HB VAL B 5 -6.670 -5.000 8.832 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.196 -5.246 6.409 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -5.478 -4.880 6.699 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -5.979 -6.539 6.294 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.538 -6.459 8.063 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.434 -7.855 8.087 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.833 -7.010 9.602 1.00 0.00 H new ATOM 682 N LYS B 6 -3.959 -4.495 9.730 1.00 0.00 N ATOM 683 CA LYS B 6 -2.874 -3.491 9.724 1.00 0.00 C ATOM 684 C LYS B 6 -1.496 -4.163 9.683 1.00 0.00 C ATOM 685 O LYS B 6 -0.672 -3.938 8.799 1.00 0.00 O ATOM 686 CB LYS B 6 -2.948 -2.602 10.988 1.00 0.00 C ATOM 687 CG LYS B 6 -1.840 -1.519 11.002 1.00 0.00 C ATOM 688 CD LYS B 6 -1.731 -0.682 12.297 1.00 0.00 C ATOM 689 CE LYS B 6 -2.843 0.370 12.498 1.00 0.00 C ATOM 690 NZ LYS B 6 -4.121 -0.282 12.801 1.00 0.00 N ATOM 0 H LYS B 6 -4.643 -4.374 10.477 1.00 0.00 H new ATOM 0 HA LYS B 6 -3.005 -2.881 8.831 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -3.925 -2.121 11.036 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -2.856 -3.227 11.876 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -0.881 -2.006 10.825 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -2.012 -0.840 10.167 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -1.737 -1.360 13.150 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -0.767 -0.173 12.301 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -2.571 1.044 13.310 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -2.943 0.978 11.599 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -4.644 0.287 13.497 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -4.683 -0.366 11.930 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -3.943 -1.229 13.191 1.00 0.00 H new ATOM 704 N LEU B 7 -1.267 -5.030 10.672 1.00 0.00 N ATOM 705 CA LEU B 7 0.011 -5.758 10.805 1.00 0.00 C ATOM 706 C LEU B 7 0.402 -6.504 9.520 1.00 0.00 C ATOM 707 O LEU B 7 1.560 -6.576 9.113 1.00 0.00 O ATOM 708 CB LEU B 7 -0.100 -6.771 11.966 1.00 0.00 C ATOM 709 CG LEU B 7 -0.429 -6.119 13.328 1.00 0.00 C ATOM 710 CD1 LEU B 7 -0.617 -7.192 14.419 1.00 0.00 C ATOM 711 CD2 LEU B 7 0.636 -5.083 13.756 1.00 0.00 C ATOM 0 H LEU B 7 -1.949 -5.250 11.398 1.00 0.00 H new ATOM 0 HA LEU B 7 0.788 -5.020 11.004 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.873 -7.502 11.727 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.840 -7.317 12.052 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.368 -5.580 13.204 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.848 -6.709 15.368 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.436 -7.855 14.140 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.300 -7.772 14.521 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.359 -4.653 14.719 1.00 0.00 H new ATOM 0 HD22 LEU B 7 1.606 -5.573 13.842 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.695 -4.291 13.009 1.00 0.00 H new ATOM 723 N THR B 8 -0.618 -7.079 8.879 1.00 0.00 N ATOM 724 CA THR B 8 -0.427 -7.866 7.649 1.00 0.00 C ATOM 725 C THR B 8 0.046 -7.004 6.464 1.00 0.00 C ATOM 726 O THR B 8 1.078 -7.241 5.836 1.00 0.00 O ATOM 727 CB THR B 8 -1.760 -8.576 7.297 1.00 0.00 C ATOM 728 OG1 THR B 8 -2.206 -9.339 8.422 1.00 0.00 O ATOM 729 CG2 THR B 8 -1.627 -9.521 6.087 1.00 0.00 C ATOM 0 H THR B 8 -1.588 -7.017 9.188 1.00 0.00 H new ATOM 0 HA THR B 8 0.358 -8.599 7.835 1.00 0.00 H new ATOM 0 HB THR B 8 -2.477 -7.797 7.039 1.00 0.00 H new ATOM 0 HG1 THR B 8 -2.585 -8.737 9.096 1.00 0.00 H new ATOM 0 HG21 THR B 8 -2.589 -9.991 5.885 1.00 0.00 H new ATOM 0 HG22 THR B 8 -1.311 -8.951 5.213 1.00 0.00 H new ATOM 0 HG23 THR B 8 -0.886 -10.290 6.306 1.00 0.00 H new ATOM 737 N ILE B 9 -0.742 -5.965 6.171 1.00 0.00 N ATOM 738 CA ILE B 9 -0.548 -5.153 4.952 1.00 0.00 C ATOM 739 C ILE B 9 0.599 -4.133 5.081 1.00 0.00 C ATOM 740 O ILE B 9 1.472 -4.013 4.224 1.00 0.00 O ATOM 741 CB ILE B 9 -1.893 -4.467 4.579 1.00 0.00 C ATOM 742 CG1 ILE B 9 -1.874 -3.879 3.150 1.00 0.00 C ATOM 743 CG2 ILE B 9 -2.332 -3.376 5.582 1.00 0.00 C ATOM 744 CD1 ILE B 9 -1.712 -4.950 2.051 1.00 0.00 C ATOM 0 H ILE B 9 -1.521 -5.662 6.756 1.00 0.00 H new ATOM 0 HA ILE B 9 -0.245 -5.821 4.145 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.630 -5.269 4.624 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.800 -3.330 2.978 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -1.058 -3.161 3.071 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.278 -2.942 5.257 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.457 -3.819 6.570 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.572 -2.596 5.627 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -1.707 -4.469 1.073 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -0.773 -5.484 2.198 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -2.542 -5.655 2.104 1.00 0.00 H new ATOM 756 N CYS B 10 0.582 -3.400 6.201 1.00 0.00 N ATOM 757 CA CYS B 10 1.537 -2.308 6.498 1.00 0.00 C ATOM 758 C CYS B 10 2.999 -2.540 6.085 1.00 0.00 C ATOM 759 O CYS B 10 3.571 -1.672 5.432 1.00 0.00 O ATOM 760 CB CYS B 10 1.473 -1.940 7.996 1.00 0.00 C ATOM 761 SG CYS B 10 0.023 -0.917 8.347 1.00 0.00 S ATOM 0 H CYS B 10 -0.103 -3.546 6.942 1.00 0.00 H new ATOM 0 HA CYS B 10 1.202 -1.486 5.865 1.00 0.00 H new ATOM 0 HB2 CYS B 10 1.436 -2.849 8.597 1.00 0.00 H new ATOM 0 HB3 CYS B 10 2.379 -1.405 8.282 1.00 0.00 H new ATOM 766 N PRO B 11 3.655 -3.659 6.431 1.00 0.00 N ATOM 767 CA PRO B 11 5.055 -3.916 6.035 1.00 0.00 C ATOM 768 C PRO B 11 5.280 -3.777 4.522 1.00 0.00 C ATOM 769 O PRO B 11 6.224 -3.150 4.041 1.00 0.00 O ATOM 770 CB PRO B 11 5.330 -5.349 6.530 1.00 0.00 C ATOM 771 CG PRO B 11 3.944 -5.957 6.701 1.00 0.00 C ATOM 772 CD PRO B 11 3.116 -4.776 7.220 1.00 0.00 C ATOM 0 HA PRO B 11 5.738 -3.186 6.469 1.00 0.00 H new ATOM 0 HB2 PRO B 11 5.926 -5.911 5.811 1.00 0.00 H new ATOM 0 HB3 PRO B 11 5.883 -5.347 7.469 1.00 0.00 H new ATOM 0 HG2 PRO B 11 3.553 -6.343 5.760 1.00 0.00 H new ATOM 0 HG3 PRO B 11 3.951 -6.787 7.407 1.00 0.00 H new ATOM 0 HD2 PRO B 11 2.049 -4.919 7.050 1.00 0.00 H new ATOM 0 HD3 PRO B 11 3.250 -4.622 8.291 1.00 0.00 H new ATOM 780 N THR B 12 4.362 -4.382 3.765 1.00 0.00 N ATOM 781 CA THR B 12 4.362 -4.269 2.293 1.00 0.00 C ATOM 782 C THR B 12 4.191 -2.807 1.846 1.00 0.00 C ATOM 783 O THR B 12 4.894 -2.288 0.981 1.00 0.00 O ATOM 784 CB THR B 12 3.220 -5.134 1.700 1.00 0.00 C ATOM 785 OG1 THR B 12 3.318 -6.467 2.213 1.00 0.00 O ATOM 786 CG2 THR B 12 3.272 -5.199 0.160 1.00 0.00 C ATOM 0 H THR B 12 3.607 -4.956 4.140 1.00 0.00 H new ATOM 0 HA THR B 12 5.324 -4.627 1.925 1.00 0.00 H new ATOM 0 HB THR B 12 2.278 -4.668 1.989 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.596 -7.015 1.841 1.00 0.00 H new ATOM 0 HG21 THR B 12 2.452 -5.816 -0.206 1.00 0.00 H new ATOM 0 HG22 THR B 12 3.180 -4.193 -0.250 1.00 0.00 H new ATOM 0 HG23 THR B 12 4.221 -5.633 -0.154 1.00 0.00 H new ATOM 794 N LEU B 13 3.219 -2.132 2.468 1.00 0.00 N ATOM 795 CA LEU B 13 2.894 -0.729 2.138 1.00 0.00 C ATOM 796 C LEU B 13 4.087 0.224 2.303 1.00 0.00 C ATOM 797 O LEU B 13 4.301 1.155 1.530 1.00 0.00 O ATOM 798 CB LEU B 13 1.725 -0.227 3.012 1.00 0.00 C ATOM 799 CG LEU B 13 0.421 -1.040 2.862 1.00 0.00 C ATOM 800 CD1 LEU B 13 -0.692 -0.476 3.767 1.00 0.00 C ATOM 801 CD2 LEU B 13 -0.050 -1.126 1.395 1.00 0.00 C ATOM 0 H LEU B 13 2.639 -2.531 3.206 1.00 0.00 H new ATOM 0 HA LEU B 13 2.613 -0.724 1.085 1.00 0.00 H new ATOM 0 HB2 LEU B 13 2.034 -0.248 4.057 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.521 0.814 2.761 1.00 0.00 H new ATOM 0 HG LEU B 13 0.643 -2.057 3.186 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -1.599 -1.068 3.641 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.372 -0.520 4.808 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -0.894 0.560 3.493 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.970 -1.708 1.342 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -0.233 -0.122 1.012 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.720 -1.609 0.793 1.00 0.00 H new ATOM 813 N LYS B 14 4.864 -0.007 3.365 1.00 0.00 N ATOM 814 CA LYS B 14 6.078 0.787 3.636 1.00 0.00 C ATOM 815 C LYS B 14 7.124 0.625 2.524 1.00 0.00 C ATOM 816 O LYS B 14 7.765 1.571 2.066 1.00 0.00 O ATOM 817 CB LYS B 14 6.690 0.365 4.992 1.00 0.00 C ATOM 818 CG LYS B 14 5.794 0.694 6.206 1.00 0.00 C ATOM 819 CD LYS B 14 5.583 2.210 6.416 1.00 0.00 C ATOM 820 CE LYS B 14 4.702 2.533 7.640 1.00 0.00 C ATOM 821 NZ LYS B 14 5.298 1.982 8.863 1.00 0.00 N ATOM 0 H LYS B 14 4.679 -0.736 4.054 1.00 0.00 H new ATOM 0 HA LYS B 14 5.787 1.837 3.672 1.00 0.00 H new ATOM 0 HB2 LYS B 14 6.884 -0.707 4.975 1.00 0.00 H new ATOM 0 HB3 LYS B 14 7.652 0.861 5.117 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.824 0.214 6.074 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.241 0.268 7.105 1.00 0.00 H new ATOM 0 HD2 LYS B 14 6.553 2.693 6.536 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.124 2.634 5.523 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.588 3.613 7.739 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.704 2.119 7.496 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 4.822 2.388 9.694 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.185 0.948 8.869 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 6.310 2.219 8.893 1.00 0.00 H new ATOM 835 N SER B 15 7.301 -0.630 2.101 1.00 0.00 N ATOM 836 CA SER B 15 8.208 -0.956 0.984 1.00 0.00 C ATOM 837 C SER B 15 7.824 -0.201 -0.301 1.00 0.00 C ATOM 838 O SER B 15 8.654 0.269 -1.076 1.00 0.00 O ATOM 839 CB SER B 15 8.200 -2.478 0.730 1.00 0.00 C ATOM 840 OG SER B 15 8.579 -3.171 1.923 1.00 0.00 O ATOM 0 H SER B 15 6.832 -1.438 2.510 1.00 0.00 H new ATOM 0 HA SER B 15 9.212 -0.639 1.264 1.00 0.00 H new ATOM 0 HB2 SER B 15 7.207 -2.798 0.413 1.00 0.00 H new ATOM 0 HB3 SER B 15 8.888 -2.725 -0.079 1.00 0.00 H new ATOM 0 HG SER B 15 7.832 -3.164 2.557 1.00 0.00 H new ATOM 846 N MET B 16 6.508 -0.108 -0.526 1.00 0.00 N ATOM 847 CA MET B 16 5.957 0.678 -1.648 1.00 0.00 C ATOM 848 C MET B 16 6.276 2.173 -1.493 1.00 0.00 C ATOM 849 O MET B 16 6.709 2.867 -2.414 1.00 0.00 O ATOM 850 CB MET B 16 4.427 0.457 -1.714 1.00 0.00 C ATOM 851 CG MET B 16 3.764 1.156 -2.919 1.00 0.00 C ATOM 852 SD MET B 16 1.991 0.809 -3.052 1.00 0.00 S ATOM 853 CE MET B 16 1.368 1.593 -1.543 1.00 0.00 C ATOM 0 H MET B 16 5.802 -0.565 0.051 1.00 0.00 H new ATOM 0 HA MET B 16 6.420 0.340 -2.575 1.00 0.00 H new ATOM 0 HB2 MET B 16 4.223 -0.612 -1.765 1.00 0.00 H new ATOM 0 HB3 MET B 16 3.973 0.825 -0.794 1.00 0.00 H new ATOM 0 HG2 MET B 16 3.912 2.233 -2.834 1.00 0.00 H new ATOM 0 HG3 MET B 16 4.261 0.837 -3.835 1.00 0.00 H new ATOM 0 HE1 MET B 16 0.278 1.572 -1.545 1.00 0.00 H new ATOM 0 HE2 MET B 16 1.739 1.053 -0.672 1.00 0.00 H new ATOM 0 HE3 MET B 16 1.711 2.627 -1.502 1.00 0.00 H new ATOM 863 N ALA B 17 6.056 2.658 -0.266 1.00 0.00 N ATOM 864 CA ALA B 17 6.262 4.075 0.100 1.00 0.00 C ATOM 865 C ALA B 17 7.677 4.583 -0.215 1.00 0.00 C ATOM 866 O ALA B 17 7.915 5.767 -0.453 1.00 0.00 O ATOM 867 CB ALA B 17 5.966 4.262 1.601 1.00 0.00 C ATOM 0 H ALA B 17 5.729 2.081 0.509 1.00 0.00 H new ATOM 0 HA ALA B 17 5.575 4.665 -0.507 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.117 5.306 1.874 1.00 0.00 H new ATOM 0 HB2 ALA B 17 4.934 3.979 1.806 1.00 0.00 H new ATOM 0 HB3 ALA B 17 6.638 3.633 2.185 1.00 0.00 H new ATOM 873 N LYS B 18 8.635 3.645 -0.200 1.00 0.00 N ATOM 874 CA LYS B 18 10.051 3.940 -0.504 1.00 0.00 C ATOM 875 C LYS B 18 10.244 4.828 -1.740 1.00 0.00 C ATOM 876 O LYS B 18 11.060 5.750 -1.766 1.00 0.00 O ATOM 877 CB LYS B 18 10.818 2.615 -0.720 1.00 0.00 C ATOM 878 CG LYS B 18 10.953 1.749 0.554 1.00 0.00 C ATOM 879 CD LYS B 18 12.186 2.054 1.442 1.00 0.00 C ATOM 880 CE LYS B 18 12.339 3.518 1.913 1.00 0.00 C ATOM 881 NZ LYS B 18 12.838 4.359 0.813 1.00 0.00 N ATOM 0 H LYS B 18 8.456 2.665 0.021 1.00 0.00 H new ATOM 0 HA LYS B 18 10.440 4.492 0.351 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.309 2.034 -1.489 1.00 0.00 H new ATOM 0 HB3 LYS B 18 11.814 2.842 -1.099 1.00 0.00 H new ATOM 0 HG2 LYS B 18 10.053 1.877 1.156 1.00 0.00 H new ATOM 0 HG3 LYS B 18 10.992 0.701 0.257 1.00 0.00 H new ATOM 0 HD2 LYS B 18 12.142 1.413 2.323 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.084 1.776 0.890 1.00 0.00 H new ATOM 0 HE2 LYS B 18 11.379 3.897 2.263 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.027 3.566 2.757 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.745 4.788 1.088 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 12.975 3.774 -0.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.147 5.109 0.609 1.00 0.00 H new ATOM 895 N LYS B 19 9.468 4.525 -2.789 1.00 0.00 N ATOM 896 CA LYS B 19 9.538 5.302 -4.040 1.00 0.00 C ATOM 897 C LYS B 19 8.149 5.608 -4.628 1.00 0.00 C ATOM 898 O LYS B 19 7.816 5.354 -5.787 1.00 0.00 O ATOM 899 CB LYS B 19 10.441 4.564 -5.057 1.00 0.00 C ATOM 900 CG LYS B 19 9.971 3.131 -5.400 1.00 0.00 C ATOM 901 CD LYS B 19 10.899 2.422 -6.412 1.00 0.00 C ATOM 902 CE LYS B 19 11.038 3.171 -7.755 1.00 0.00 C ATOM 903 NZ LYS B 19 9.715 3.364 -8.367 1.00 0.00 N ATOM 0 H LYS B 19 8.793 3.760 -2.801 1.00 0.00 H new ATOM 0 HA LYS B 19 9.979 6.272 -3.810 1.00 0.00 H new ATOM 0 HB2 LYS B 19 10.487 5.149 -5.976 1.00 0.00 H new ATOM 0 HB3 LYS B 19 11.454 4.516 -4.658 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.921 2.541 -4.485 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.961 3.173 -5.808 1.00 0.00 H new ATOM 0 HD2 LYS B 19 11.887 2.306 -5.967 1.00 0.00 H new ATOM 0 HD3 LYS B 19 10.516 1.420 -6.603 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.517 4.137 -7.593 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.680 2.606 -8.430 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 9.681 4.292 -8.836 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 9.544 2.615 -9.069 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 8.982 3.321 -7.630 1.00 0.00 H new ATOM 917 N CYS B 20 7.310 6.184 -3.760 1.00 0.00 N ATOM 918 CA CYS B 20 6.033 6.779 -4.197 1.00 0.00 C ATOM 919 C CYS B 20 6.209 8.252 -4.599 1.00 0.00 C ATOM 920 O CYS B 20 7.298 8.824 -4.612 1.00 0.00 O ATOM 921 CB CYS B 20 4.971 6.650 -3.082 1.00 0.00 C ATOM 922 SG CYS B 20 4.533 4.935 -2.720 1.00 0.00 S ATOM 0 H CYS B 20 7.486 6.253 -2.758 1.00 0.00 H new ATOM 0 HA CYS B 20 5.693 6.231 -5.076 1.00 0.00 H new ATOM 0 HB2 CYS B 20 5.346 7.123 -2.174 1.00 0.00 H new ATOM 0 HB3 CYS B 20 4.074 7.194 -3.378 1.00 0.00 H new ATOM 927 N GLU B 21 5.078 8.873 -4.951 1.00 0.00 N ATOM 928 CA GLU B 21 5.062 10.292 -5.360 1.00 0.00 C ATOM 929 C GLU B 21 5.350 11.254 -4.188 1.00 0.00 C ATOM 930 O GLU B 21 5.674 10.864 -3.064 1.00 0.00 O ATOM 931 CB GLU B 21 3.707 10.610 -6.039 1.00 0.00 C ATOM 932 CG GLU B 21 3.408 9.687 -7.246 1.00 0.00 C ATOM 933 CD GLU B 21 4.552 9.730 -8.270 1.00 0.00 C ATOM 934 OE1 GLU B 21 4.773 10.781 -8.871 1.00 0.00 O ATOM 935 OE2 GLU B 21 5.212 8.707 -8.450 1.00 0.00 O ATOM 0 H GLU B 21 4.163 8.423 -4.963 1.00 0.00 H new ATOM 0 HA GLU B 21 5.871 10.450 -6.074 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.907 10.512 -5.306 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.708 11.648 -6.373 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.264 8.664 -6.899 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.477 9.996 -7.722 1.00 0.00 H new ATOM 942 N GLY B 22 5.199 12.551 -4.487 1.00 0.00 N ATOM 943 CA GLY B 22 5.649 13.671 -3.629 1.00 0.00 C ATOM 944 C GLY B 22 5.539 13.445 -2.115 1.00 0.00 C ATOM 945 O GLY B 22 6.521 13.458 -1.375 1.00 0.00 O ATOM 0 H GLY B 22 4.752 12.864 -5.349 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.689 13.891 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY B 22 5.068 14.556 -3.887 1.00 0.00 H new ATOM 949 N SER B 23 4.303 13.231 -1.653 1.00 0.00 N ATOM 950 CA SER B 23 4.054 12.981 -0.219 1.00 0.00 C ATOM 951 C SER B 23 2.935 11.949 -0.014 1.00 0.00 C ATOM 952 O SER B 23 2.050 12.046 0.836 1.00 0.00 O ATOM 953 CB SER B 23 3.691 14.313 0.481 1.00 0.00 C ATOM 954 OG SER B 23 4.778 15.235 0.372 1.00 0.00 O ATOM 0 H SER B 23 3.467 13.224 -2.237 1.00 0.00 H new ATOM 0 HA SER B 23 4.963 12.572 0.222 1.00 0.00 H new ATOM 0 HB2 SER B 23 2.795 14.739 0.028 1.00 0.00 H new ATOM 0 HB3 SER B 23 3.462 14.131 1.531 1.00 0.00 H new ATOM 0 HG SER B 23 4.540 16.076 0.816 1.00 0.00 H new ATOM 960 N ILE B 24 3.011 10.909 -0.845 1.00 0.00 N ATOM 961 CA ILE B 24 2.106 9.750 -0.744 1.00 0.00 C ATOM 962 C ILE B 24 2.601 8.769 0.323 1.00 0.00 C ATOM 963 O ILE B 24 1.843 8.193 1.101 1.00 0.00 O ATOM 964 CB ILE B 24 1.983 9.071 -2.127 1.00 0.00 C ATOM 965 CG1 ILE B 24 1.409 10.052 -3.182 1.00 0.00 C ATOM 966 CG2 ILE B 24 1.162 7.763 -2.062 1.00 0.00 C ATOM 967 CD1 ILE B 24 0.022 10.623 -2.819 1.00 0.00 C ATOM 0 H ILE B 24 3.692 10.840 -1.601 1.00 0.00 H new ATOM 0 HA ILE B 24 1.117 10.089 -0.436 1.00 0.00 H new ATOM 0 HB ILE B 24 2.989 8.795 -2.441 1.00 0.00 H new ATOM 0 HG12 ILE B 24 2.108 10.878 -3.313 1.00 0.00 H new ATOM 0 HG13 ILE B 24 1.339 9.538 -4.141 1.00 0.00 H new ATOM 0 HG21 ILE B 24 1.102 7.321 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE B 24 1.647 7.062 -1.382 1.00 0.00 H new ATOM 0 HG23 ILE B 24 0.157 7.982 -1.701 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -0.310 11.300 -3.606 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -0.693 9.806 -2.717 1.00 0.00 H new ATOM 0 HD13 ILE B 24 0.088 11.167 -1.877 1.00 0.00 H new ATOM 979 N ALA B 25 3.924 8.570 0.322 1.00 0.00 N ATOM 980 CA ALA B 25 4.610 7.777 1.359 1.00 0.00 C ATOM 981 C ALA B 25 4.184 8.184 2.779 1.00 0.00 C ATOM 982 O ALA B 25 3.997 7.371 3.686 1.00 0.00 O ATOM 983 CB ALA B 25 6.129 7.986 1.208 1.00 0.00 C ATOM 0 H ALA B 25 4.549 8.949 -0.390 1.00 0.00 H new ATOM 0 HA ALA B 25 4.338 6.730 1.222 1.00 0.00 H new ATOM 0 HB1 ALA B 25 6.653 7.406 1.968 1.00 0.00 H new ATOM 0 HB2 ALA B 25 6.445 7.657 0.218 1.00 0.00 H new ATOM 0 HB3 ALA B 25 6.365 9.043 1.331 1.00 0.00 H new ATOM 989 N THR B 26 4.041 9.502 2.956 1.00 0.00 N ATOM 990 CA THR B 26 3.571 10.091 4.224 1.00 0.00 C ATOM 991 C THR B 26 2.195 9.543 4.637 1.00 0.00 C ATOM 992 O THR B 26 1.955 9.124 5.768 1.00 0.00 O ATOM 993 CB THR B 26 3.490 11.630 4.063 1.00 0.00 C ATOM 994 OG1 THR B 26 4.764 12.133 3.649 1.00 0.00 O ATOM 995 CG2 THR B 26 3.072 12.347 5.363 1.00 0.00 C ATOM 0 H THR B 26 4.245 10.191 2.232 1.00 0.00 H new ATOM 0 HA THR B 26 4.280 9.823 5.008 1.00 0.00 H new ATOM 0 HB THR B 26 2.725 11.832 3.314 1.00 0.00 H new ATOM 0 HG1 THR B 26 4.713 13.106 3.545 1.00 0.00 H new ATOM 0 HG21 THR B 26 3.032 13.422 5.189 1.00 0.00 H new ATOM 0 HG22 THR B 26 2.089 11.993 5.674 1.00 0.00 H new ATOM 0 HG23 THR B 26 3.799 12.133 6.147 1.00 0.00 H new ATOM 1003 N MET B 27 1.272 9.567 3.669 1.00 0.00 N ATOM 1004 CA MET B 27 -0.110 9.092 3.882 1.00 0.00 C ATOM 1005 C MET B 27 -0.148 7.622 4.327 1.00 0.00 C ATOM 1006 O MET B 27 -0.774 7.236 5.315 1.00 0.00 O ATOM 1007 CB MET B 27 -0.915 9.229 2.572 1.00 0.00 C ATOM 1008 CG MET B 27 -0.932 10.651 1.985 1.00 0.00 C ATOM 1009 SD MET B 27 -1.835 10.699 0.417 1.00 0.00 S ATOM 1010 CE MET B 27 -1.594 12.437 -0.025 1.00 0.00 C ATOM 0 H MET B 27 1.453 9.910 2.726 1.00 0.00 H new ATOM 0 HA MET B 27 -0.547 9.705 4.671 1.00 0.00 H new ATOM 0 HB2 MET B 27 -0.498 8.547 1.830 1.00 0.00 H new ATOM 0 HB3 MET B 27 -1.942 8.912 2.755 1.00 0.00 H new ATOM 0 HG2 MET B 27 -1.395 11.335 2.696 1.00 0.00 H new ATOM 0 HG3 MET B 27 0.090 10.996 1.830 1.00 0.00 H new ATOM 0 HE1 MET B 27 -2.089 12.643 -0.974 1.00 0.00 H new ATOM 0 HE2 MET B 27 -2.019 13.072 0.752 1.00 0.00 H new ATOM 0 HE3 MET B 27 -0.528 12.644 -0.120 1.00 0.00 H new ATOM 1020 N ILE B 28 0.553 6.794 3.546 1.00 0.00 N ATOM 1021 CA ILE B 28 0.682 5.347 3.820 1.00 0.00 C ATOM 1022 C ILE B 28 1.125 5.090 5.267 1.00 0.00 C ATOM 1023 O ILE B 28 0.551 4.302 6.019 1.00 0.00 O ATOM 1024 CB ILE B 28 1.733 4.740 2.849 1.00 0.00 C ATOM 1025 CG1 ILE B 28 1.305 4.878 1.368 1.00 0.00 C ATOM 1026 CG2 ILE B 28 2.037 3.265 3.199 1.00 0.00 C ATOM 1027 CD1 ILE B 28 2.414 4.470 0.374 1.00 0.00 C ATOM 0 H ILE B 28 1.048 7.100 2.708 1.00 0.00 H new ATOM 0 HA ILE B 28 -0.292 4.880 3.673 1.00 0.00 H new ATOM 0 HB ILE B 28 2.650 5.315 2.977 1.00 0.00 H new ATOM 0 HG12 ILE B 28 0.424 4.261 1.192 1.00 0.00 H new ATOM 0 HG13 ILE B 28 1.015 5.911 1.175 1.00 0.00 H new ATOM 0 HG21 ILE B 28 2.776 2.870 2.501 1.00 0.00 H new ATOM 0 HG22 ILE B 28 2.429 3.205 4.214 1.00 0.00 H new ATOM 0 HG23 ILE B 28 1.121 2.678 3.128 1.00 0.00 H new ATOM 0 HD11 ILE B 28 2.050 4.590 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE B 28 3.288 5.103 0.524 1.00 0.00 H new ATOM 0 HD13 ILE B 28 2.688 3.428 0.542 1.00 0.00 H new ATOM 1039 N LYS B 29 2.192 5.801 5.642 1.00 0.00 N ATOM 1040 CA LYS B 29 2.792 5.674 6.980 1.00 0.00 C ATOM 1041 C LYS B 29 1.773 5.946 8.089 1.00 0.00 C ATOM 1042 O LYS B 29 1.551 5.143 8.992 1.00 0.00 O ATOM 1043 CB LYS B 29 3.959 6.680 7.106 1.00 0.00 C ATOM 1044 CG LYS B 29 4.686 6.601 8.471 1.00 0.00 C ATOM 1045 CD LYS B 29 5.391 7.917 8.871 1.00 0.00 C ATOM 1046 CE LYS B 29 4.440 8.968 9.496 1.00 0.00 C ATOM 1047 NZ LYS B 29 3.361 9.336 8.566 1.00 0.00 N ATOM 0 H LYS B 29 2.662 6.474 5.037 1.00 0.00 H new ATOM 0 HA LYS B 29 3.148 4.650 7.095 1.00 0.00 H new ATOM 0 HB2 LYS B 29 4.678 6.495 6.307 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.576 7.691 6.963 1.00 0.00 H new ATOM 0 HG2 LYS B 29 3.964 6.336 9.243 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.424 5.799 8.435 1.00 0.00 H new ATOM 0 HD2 LYS B 29 6.186 7.691 9.582 1.00 0.00 H new ATOM 0 HD3 LYS B 29 5.865 8.348 7.989 1.00 0.00 H new ATOM 0 HE2 LYS B 29 4.010 8.571 10.415 1.00 0.00 H new ATOM 0 HE3 LYS B 29 5.007 9.858 9.768 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 2.910 10.216 8.889 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 3.756 9.478 7.615 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 2.653 8.575 8.537 1.00 0.00 H new ATOM 1061 N LYS B 30 1.128 7.112 7.976 1.00 0.00 N ATOM 1062 CA LYS B 30 0.197 7.630 9.000 1.00 0.00 C ATOM 1063 C LYS B 30 -0.826 6.565 9.434 1.00 0.00 C ATOM 1064 O LYS B 30 -1.024 6.256 10.609 1.00 0.00 O ATOM 1065 CB LYS B 30 -0.538 8.846 8.381 1.00 0.00 C ATOM 1066 CG LYS B 30 -1.073 9.910 9.368 1.00 0.00 C ATOM 1067 CD LYS B 30 -1.971 9.387 10.514 1.00 0.00 C ATOM 1068 CE LYS B 30 -1.190 9.012 11.792 1.00 0.00 C ATOM 1069 NZ LYS B 30 -0.578 10.216 12.372 1.00 0.00 N ATOM 0 H LYS B 30 1.233 7.730 7.171 1.00 0.00 H new ATOM 0 HA LYS B 30 0.757 7.914 9.891 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.143 9.338 7.687 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -1.378 8.474 7.794 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.221 10.428 9.809 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -1.637 10.651 8.801 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -2.710 10.149 10.761 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.519 8.512 10.164 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -1.860 8.549 12.516 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -0.419 8.278 11.556 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -0.615 10.159 13.410 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 0.413 10.284 12.064 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -1.098 11.058 12.053 1.00 0.00 H new ATOM 1083 N LYS B 31 -1.468 5.968 8.424 1.00 0.00 N ATOM 1084 CA LYS B 31 -2.502 4.935 8.634 1.00 0.00 C ATOM 1085 C LYS B 31 -2.041 3.795 9.552 1.00 0.00 C ATOM 1086 O LYS B 31 -2.718 3.382 10.495 1.00 0.00 O ATOM 1087 CB LYS B 31 -2.913 4.353 7.266 1.00 0.00 C ATOM 1088 CG LYS B 31 -3.603 5.388 6.354 1.00 0.00 C ATOM 1089 CD LYS B 31 -4.963 5.884 6.892 1.00 0.00 C ATOM 1090 CE LYS B 31 -5.987 4.750 7.122 1.00 0.00 C ATOM 1091 NZ LYS B 31 -6.212 4.017 5.867 1.00 0.00 N ATOM 0 H LYS B 31 -1.291 6.182 7.442 1.00 0.00 H new ATOM 0 HA LYS B 31 -3.345 5.418 9.129 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -2.028 3.965 6.762 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -3.586 3.510 7.423 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -2.940 6.244 6.225 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -3.752 4.948 5.368 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -4.802 6.413 7.831 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -5.382 6.604 6.189 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -5.622 4.069 7.891 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -6.927 5.165 7.484 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -7.050 3.409 5.966 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -6.365 4.694 5.092 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -5.381 3.429 5.654 1.00 0.00 H new ATOM 1105 N CYS B 32 -0.854 3.267 9.240 1.00 0.00 N ATOM 1106 CA CYS B 32 -0.226 2.223 10.071 1.00 0.00 C ATOM 1107 C CYS B 32 0.083 2.756 11.479 1.00 0.00 C ATOM 1108 O CYS B 32 -0.447 2.302 12.493 1.00 0.00 O ATOM 1109 CB CYS B 32 1.054 1.732 9.361 1.00 0.00 C ATOM 1110 SG CYS B 32 0.643 0.924 7.791 1.00 0.00 S ATOM 0 H CYS B 32 -0.307 3.540 8.424 1.00 0.00 H new ATOM 0 HA CYS B 32 -0.913 1.386 10.193 1.00 0.00 H new ATOM 0 HB2 CYS B 32 1.721 2.574 9.179 1.00 0.00 H new ATOM 0 HB3 CYS B 32 1.589 1.035 10.006 1.00 0.00 H new ATOM 1115 N ASP B 33 0.949 3.773 11.523 1.00 0.00 N ATOM 1116 CA ASP B 33 1.269 4.483 12.775 1.00 0.00 C ATOM 1117 C ASP B 33 1.640 5.947 12.516 1.00 0.00 C ATOM 1118 O ASP B 33 2.048 6.382 11.439 1.00 0.00 O ATOM 1119 CB ASP B 33 2.465 3.800 13.483 1.00 0.00 C ATOM 1120 CG ASP B 33 2.068 2.417 14.013 1.00 0.00 C ATOM 1121 OD1 ASP B 33 1.305 2.353 14.977 1.00 0.00 O ATOM 1122 OD2 ASP B 33 2.514 1.420 13.448 1.00 0.00 O ATOM 0 H ASP B 33 1.445 4.127 10.705 1.00 0.00 H new ATOM 0 HA ASP B 33 0.378 4.446 13.402 1.00 0.00 H new ATOM 0 HB2 ASP B 33 3.298 3.702 12.787 1.00 0.00 H new ATOM 0 HB3 ASP B 33 2.810 4.425 14.307 1.00 0.00 H new ATOM 1127 N LYS B 34 1.503 6.724 13.591 1.00 0.00 N ATOM 1128 CA LYS B 34 1.828 8.162 13.569 1.00 0.00 C ATOM 1129 C LYS B 34 3.342 8.451 13.477 1.00 0.00 C ATOM 1130 O LYS B 34 4.148 7.540 13.667 1.00 0.00 O ATOM 1131 CB LYS B 34 1.234 8.812 14.844 1.00 0.00 C ATOM 1132 CG LYS B 34 1.750 8.194 16.168 1.00 0.00 C ATOM 1133 CD LYS B 34 0.637 7.553 17.031 1.00 0.00 C ATOM 1134 CE LYS B 34 -0.039 6.318 16.396 1.00 0.00 C ATOM 1135 NZ LYS B 34 0.945 5.235 16.226 1.00 0.00 N ATOM 1136 OXT LYS B 34 3.701 9.600 13.221 1.00 0.00 O ATOM 0 H LYS B 34 1.169 6.386 14.493 1.00 0.00 H new ATOM 0 HA LYS B 34 1.391 8.590 12.667 1.00 0.00 H new ATOM 0 HB2 LYS B 34 1.466 9.877 14.838 1.00 0.00 H new ATOM 0 HB3 LYS B 34 0.148 8.722 14.813 1.00 0.00 H new ATOM 0 HG2 LYS B 34 2.500 7.437 15.937 1.00 0.00 H new ATOM 0 HG3 LYS B 34 2.248 8.969 16.750 1.00 0.00 H new ATOM 0 HD2 LYS B 34 1.062 7.264 17.992 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -0.126 8.305 17.233 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -0.860 5.978 17.027 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -0.468 6.585 15.430 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 0.542 4.491 15.621 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 1.805 5.614 15.782 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 1.183 4.834 17.155 1.00 0.00 H new TER 1150 LYS B 34