USER MOD reduce.3.24.130724 H: found=0, std=0, add=347, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 349 hydrogens (2 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 LYS N :NH3+ -162:sc= -0.811 (180deg=-1.5) USER MOD Single : A 1 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.142) USER MOD Single : A 3 LYS NZ :NH3+ -92:sc= -0.123 (180deg=-0.73) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 148:sc= -2.89! (180deg=-5.55!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 150:sc= -0.466 (180deg=-2.02!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 163:sc= -0.173 (180deg=-0.889) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= -0.302 (180deg=-1.03) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -154:sc= -0.0688 (180deg=-0.628) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -5.256 18.840 -2.742 1.00 0.00 N ATOM 2 CA LYS A 1 -6.137 18.006 -3.609 1.00 0.00 C ATOM 3 C LYS A 1 -6.620 16.787 -2.823 1.00 0.00 C ATOM 4 O LYS A 1 -5.868 15.876 -2.543 1.00 0.00 O ATOM 5 CB LYS A 1 -5.354 17.541 -4.839 1.00 0.00 C ATOM 6 CG LYS A 1 -4.402 18.654 -5.286 1.00 0.00 C ATOM 7 CD LYS A 1 -5.213 19.888 -5.688 1.00 0.00 C ATOM 8 CE LYS A 1 -4.352 21.140 -5.523 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.003 22.067 -4.554 1.00 0.00 N ATOM 0 H1 LYS A 1 -5.175 19.795 -3.146 1.00 0.00 H new ATOM 0 H2 LYS A 1 -5.665 18.901 -1.788 1.00 0.00 H new ATOM 0 H3 LYS A 1 -4.312 18.406 -2.687 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.995 18.597 -3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -4.791 16.638 -4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.041 17.288 -5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -3.714 18.905 -4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -3.797 18.314 -6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.546 19.796 -6.722 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.108 19.965 -5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -3.358 20.867 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.223 21.635 -6.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -4.579 23.013 -4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.021 22.124 -4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.863 21.712 -3.586 1.00 0.00 H new ATOM 25 N TRP A 2 -7.873 16.766 -2.466 1.00 0.00 N ATOM 26 CA TRP A 2 -8.411 15.611 -1.697 1.00 0.00 C ATOM 27 C TRP A 2 -8.464 14.377 -2.601 1.00 0.00 C ATOM 28 O TRP A 2 -8.651 13.268 -2.142 1.00 0.00 O ATOM 29 CB TRP A 2 -9.820 15.945 -1.207 1.00 0.00 C ATOM 30 CG TRP A 2 -10.069 15.257 0.096 1.00 0.00 C ATOM 31 CD1 TRP A 2 -11.153 14.498 0.380 1.00 0.00 C ATOM 32 CD2 TRP A 2 -9.240 15.251 1.294 1.00 0.00 C ATOM 33 NE1 TRP A 2 -11.041 14.027 1.676 1.00 0.00 N ATOM 34 CE2 TRP A 2 -9.880 14.464 2.281 1.00 0.00 C ATOM 35 CE3 TRP A 2 -8.008 15.848 1.617 1.00 0.00 C ATOM 36 CZ2 TRP A 2 -9.316 14.275 3.543 1.00 0.00 C ATOM 37 CZ3 TRP A 2 -7.438 15.660 2.886 1.00 0.00 C ATOM 38 CH2 TRP A 2 -8.091 14.876 3.848 1.00 0.00 C ATOM 0 H TRP A 2 -8.549 17.501 -2.674 1.00 0.00 H new ATOM 0 HA TRP A 2 -7.765 15.407 -0.843 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -9.930 17.023 -1.088 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -10.558 15.629 -1.944 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -11.971 14.294 -0.295 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -11.732 13.429 2.129 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -7.497 16.455 0.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -9.822 13.669 4.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -6.491 16.122 3.123 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -7.648 14.737 4.823 1.00 0.00 H new ATOM 49 N LYS A 3 -8.301 14.561 -3.882 1.00 0.00 N ATOM 50 CA LYS A 3 -8.343 13.398 -4.813 1.00 0.00 C ATOM 51 C LYS A 3 -7.149 12.485 -4.536 1.00 0.00 C ATOM 52 O LYS A 3 -7.196 11.292 -4.764 1.00 0.00 O ATOM 53 CB LYS A 3 -8.285 13.901 -6.257 1.00 0.00 C ATOM 54 CG LYS A 3 -8.086 12.716 -7.202 1.00 0.00 C ATOM 55 CD LYS A 3 -9.268 12.629 -8.170 1.00 0.00 C ATOM 56 CE LYS A 3 -8.878 13.250 -9.512 1.00 0.00 C ATOM 57 NZ LYS A 3 -7.826 12.418 -10.160 1.00 0.00 N ATOM 0 H LYS A 3 -8.141 15.466 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.267 12.840 -4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.206 14.428 -6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.468 14.613 -6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.156 12.833 -7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.002 11.792 -6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.560 11.588 -8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -10.131 13.149 -7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.752 13.319 -10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.512 14.265 -9.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.887 12.775 -9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.924 11.431 -9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.932 12.467 -11.193 1.00 0.00 H new ATOM 71 N VAL A 4 -6.081 13.040 -4.041 1.00 0.00 N ATOM 72 CA VAL A 4 -4.878 12.215 -3.740 1.00 0.00 C ATOM 73 C VAL A 4 -5.242 11.140 -2.718 1.00 0.00 C ATOM 74 O VAL A 4 -4.692 10.057 -2.711 1.00 0.00 O ATOM 75 CB VAL A 4 -3.775 13.108 -3.167 1.00 0.00 C ATOM 76 CG1 VAL A 4 -4.283 13.796 -1.899 1.00 0.00 C ATOM 77 CG2 VAL A 4 -2.552 12.255 -2.828 1.00 0.00 C ATOM 0 H VAL A 4 -5.988 14.034 -3.831 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.524 11.743 -4.656 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.499 13.862 -3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.498 14.432 -1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -5.155 14.405 -2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.559 13.042 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.767 12.891 -2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.828 11.501 -2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.189 11.764 -3.731 1.00 0.00 H new ATOM 87 N PHE A 5 -6.169 11.436 -1.855 1.00 0.00 N ATOM 88 CA PHE A 5 -6.581 10.444 -0.823 1.00 0.00 C ATOM 89 C PHE A 5 -7.053 9.165 -1.508 1.00 0.00 C ATOM 90 O PHE A 5 -6.966 8.085 -0.957 1.00 0.00 O ATOM 91 CB PHE A 5 -7.717 11.023 0.023 1.00 0.00 C ATOM 92 CG PHE A 5 -7.204 11.333 1.410 1.00 0.00 C ATOM 93 CD1 PHE A 5 -6.293 12.377 1.603 1.00 0.00 C ATOM 94 CD2 PHE A 5 -7.642 10.576 2.503 1.00 0.00 C ATOM 95 CE1 PHE A 5 -5.818 12.665 2.888 1.00 0.00 C ATOM 96 CE2 PHE A 5 -7.168 10.863 3.790 1.00 0.00 C ATOM 97 CZ PHE A 5 -6.256 11.908 3.981 1.00 0.00 C ATOM 0 H PHE A 5 -6.663 12.327 -1.818 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.732 10.218 -0.178 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.107 11.928 -0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.542 10.313 0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -5.956 12.961 0.760 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.346 9.770 2.354 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.114 13.471 3.036 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.506 10.279 4.633 1.00 0.00 H new ATOM 0 HZ PHE A 5 -5.890 12.130 4.973 1.00 0.00 H new ATOM 107 N LYS A 6 -7.552 9.273 -2.703 1.00 0.00 N ATOM 108 CA LYS A 6 -8.027 8.058 -3.417 1.00 0.00 C ATOM 109 C LYS A 6 -6.886 7.053 -3.490 1.00 0.00 C ATOM 110 O LYS A 6 -7.077 5.863 -3.331 1.00 0.00 O ATOM 111 CB LYS A 6 -8.483 8.430 -4.829 1.00 0.00 C ATOM 112 CG LYS A 6 -9.648 7.530 -5.243 1.00 0.00 C ATOM 113 CD LYS A 6 -9.631 7.339 -6.761 1.00 0.00 C ATOM 114 CE LYS A 6 -9.467 5.854 -7.086 1.00 0.00 C ATOM 115 NZ LYS A 6 -8.844 5.705 -8.432 1.00 0.00 N ATOM 0 H LYS A 6 -7.652 10.148 -3.217 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.869 7.621 -2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.789 9.476 -4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.656 8.319 -5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.571 6.564 -4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.593 7.975 -4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.556 7.718 -7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.814 7.911 -7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.846 5.372 -6.331 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.437 5.357 -7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.732 4.695 -8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.453 6.151 -9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.911 6.165 -8.436 1.00 0.00 H new ATOM 129 N LYS A 7 -5.698 7.525 -3.705 1.00 0.00 N ATOM 130 CA LYS A 7 -4.536 6.602 -3.758 1.00 0.00 C ATOM 131 C LYS A 7 -4.301 6.062 -2.356 1.00 0.00 C ATOM 132 O LYS A 7 -3.872 4.941 -2.164 1.00 0.00 O ATOM 133 CB LYS A 7 -3.294 7.349 -4.249 1.00 0.00 C ATOM 134 CG LYS A 7 -2.127 6.371 -4.383 1.00 0.00 C ATOM 135 CD LYS A 7 -1.098 6.934 -5.365 1.00 0.00 C ATOM 136 CE LYS A 7 0.047 7.585 -4.588 1.00 0.00 C ATOM 137 NZ LYS A 7 -0.218 9.045 -4.443 1.00 0.00 N ATOM 0 H LYS A 7 -5.478 8.511 -3.847 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.735 5.783 -4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.498 7.822 -5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.036 8.145 -3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.664 6.206 -3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.488 5.404 -4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.713 6.137 -6.001 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.569 7.666 -6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.143 7.123 -3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.991 7.426 -5.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.560 9.488 -3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.289 9.480 -5.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.110 9.186 -3.928 1.00 0.00 H new ATOM 151 N ILE A 8 -4.605 6.857 -1.376 1.00 0.00 N ATOM 152 CA ILE A 8 -4.436 6.413 0.031 1.00 0.00 C ATOM 153 C ILE A 8 -5.543 5.418 0.350 1.00 0.00 C ATOM 154 O ILE A 8 -5.372 4.492 1.117 1.00 0.00 O ATOM 155 CB ILE A 8 -4.545 7.619 0.963 1.00 0.00 C ATOM 156 CG1 ILE A 8 -3.276 8.468 0.848 1.00 0.00 C ATOM 157 CG2 ILE A 8 -4.708 7.138 2.405 1.00 0.00 C ATOM 158 CD1 ILE A 8 -3.339 9.621 1.850 1.00 0.00 C ATOM 0 H ILE A 8 -4.967 7.804 -1.489 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.460 5.948 0.168 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.411 8.218 0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.396 7.854 1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.178 8.858 -0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.786 7.999 3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.611 6.534 2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.843 6.538 2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.435 10.225 1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.210 10.241 1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.417 9.221 2.861 1.00 0.00 H new ATOM 170 N GLU A 9 -6.683 5.617 -0.243 1.00 0.00 N ATOM 171 CA GLU A 9 -7.830 4.700 0.005 1.00 0.00 C ATOM 172 C GLU A 9 -7.504 3.315 -0.542 1.00 0.00 C ATOM 173 O GLU A 9 -7.591 2.322 0.152 1.00 0.00 O ATOM 174 CB GLU A 9 -9.081 5.245 -0.689 1.00 0.00 C ATOM 175 CG GLU A 9 -9.743 6.297 0.203 1.00 0.00 C ATOM 176 CD GLU A 9 -11.010 5.713 0.830 1.00 0.00 C ATOM 177 OE1 GLU A 9 -11.259 4.536 0.627 1.00 0.00 O ATOM 178 OE2 GLU A 9 -11.709 6.453 1.502 1.00 0.00 O ATOM 0 H GLU A 9 -6.873 6.380 -0.893 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.013 4.631 1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.814 5.684 -1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.780 4.433 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.051 6.614 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.990 7.182 -0.383 1.00 0.00 H new ATOM 185 N LYS A 10 -7.126 3.243 -1.782 1.00 0.00 N ATOM 186 CA LYS A 10 -6.786 1.922 -2.381 1.00 0.00 C ATOM 187 C LYS A 10 -5.495 1.404 -1.748 1.00 0.00 C ATOM 188 O LYS A 10 -5.203 0.225 -1.781 1.00 0.00 O ATOM 189 CB LYS A 10 -6.596 2.073 -3.891 1.00 0.00 C ATOM 190 CG LYS A 10 -6.707 0.700 -4.557 1.00 0.00 C ATOM 191 CD LYS A 10 -7.781 0.741 -5.645 1.00 0.00 C ATOM 192 CE LYS A 10 -7.215 1.415 -6.896 1.00 0.00 C ATOM 193 NZ LYS A 10 -6.885 0.378 -7.913 1.00 0.00 N ATOM 0 H LYS A 10 -7.036 4.041 -2.411 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.595 1.216 -2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.349 2.749 -4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.623 2.515 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.748 0.416 -4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.957 -0.057 -3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.112 -0.270 -5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.654 1.287 -5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.941 2.120 -7.302 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.323 1.987 -6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.500 0.836 -8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.178 -0.278 -7.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.746 -0.149 -8.163 1.00 0.00 H new ATOM 207 N LYS A 11 -4.724 2.279 -1.166 1.00 0.00 N ATOM 208 CA LYS A 11 -3.454 1.848 -0.520 1.00 0.00 C ATOM 209 C LYS A 11 -3.774 1.179 0.815 1.00 0.00 C ATOM 210 O LYS A 11 -3.047 0.330 1.291 1.00 0.00 O ATOM 211 CB LYS A 11 -2.556 3.064 -0.282 1.00 0.00 C ATOM 212 CG LYS A 11 -1.634 3.262 -1.487 1.00 0.00 C ATOM 213 CD LYS A 11 -0.184 3.012 -1.067 1.00 0.00 C ATOM 214 CE LYS A 11 0.714 4.099 -1.661 1.00 0.00 C ATOM 215 NZ LYS A 11 1.184 5.005 -0.575 1.00 0.00 N ATOM 0 H LYS A 11 -4.920 3.278 -1.110 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.935 1.143 -1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.165 3.954 -0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.964 2.921 0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.914 2.579 -2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.741 4.274 -1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.104 3.013 0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.141 2.030 -1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.567 3.645 -2.165 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.166 4.668 -2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.794 5.744 -0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.364 5.448 -0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.722 4.457 0.126 1.00 0.00 H new ATOM 229 N TRP A 12 -4.859 1.560 1.420 1.00 0.00 N ATOM 230 CA TRP A 12 -5.241 0.953 2.724 1.00 0.00 C ATOM 231 C TRP A 12 -5.868 -0.417 2.483 1.00 0.00 C ATOM 232 O TRP A 12 -5.417 -1.422 2.996 1.00 0.00 O ATOM 233 CB TRP A 12 -6.251 1.860 3.429 1.00 0.00 C ATOM 234 CG TRP A 12 -5.905 1.959 4.881 1.00 0.00 C ATOM 235 CD1 TRP A 12 -4.673 2.223 5.371 1.00 0.00 C ATOM 236 CD2 TRP A 12 -6.781 1.804 6.034 1.00 0.00 C ATOM 237 NE1 TRP A 12 -4.735 2.238 6.753 1.00 0.00 N ATOM 238 CE2 TRP A 12 -6.013 1.986 7.210 1.00 0.00 C ATOM 239 CE3 TRP A 12 -8.152 1.526 6.175 1.00 0.00 C ATOM 240 CZ2 TRP A 12 -6.586 1.893 8.478 1.00 0.00 C ATOM 241 CZ3 TRP A 12 -8.732 1.433 7.451 1.00 0.00 C ATOM 242 CH2 TRP A 12 -7.951 1.616 8.600 1.00 0.00 C ATOM 0 H TRP A 12 -5.502 2.269 1.068 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.354 0.841 3.348 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.245 2.851 2.975 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -7.258 1.461 3.311 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.785 2.394 4.780 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.934 2.414 7.360 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -8.763 1.383 5.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.979 2.034 9.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -9.786 1.219 7.547 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -8.403 1.543 9.578 1.00 0.00 H new ATOM 253 N LYS A 13 -6.907 -0.459 1.705 1.00 0.00 N ATOM 254 CA LYS A 13 -7.584 -1.756 1.420 1.00 0.00 C ATOM 255 C LYS A 13 -6.593 -2.730 0.785 1.00 0.00 C ATOM 256 O LYS A 13 -6.651 -3.924 1.007 1.00 0.00 O ATOM 257 CB LYS A 13 -8.754 -1.523 0.463 1.00 0.00 C ATOM 258 CG LYS A 13 -9.964 -2.336 0.929 1.00 0.00 C ATOM 259 CD LYS A 13 -11.066 -1.386 1.399 1.00 0.00 C ATOM 260 CE LYS A 13 -11.026 -1.270 2.925 1.00 0.00 C ATOM 261 NZ LYS A 13 -9.659 -0.862 3.358 1.00 0.00 N ATOM 0 H LYS A 13 -7.322 0.353 1.249 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.955 -2.179 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.005 -0.463 0.430 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.474 -1.815 -0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.331 -2.961 0.115 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.676 -3.005 1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.932 -0.404 0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.040 -1.755 1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.760 -0.539 3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.293 -2.224 3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.726 -0.281 4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.090 -1.710 3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.206 -0.310 2.602 1.00 0.00 H new ATOM 275 N VAL A 14 -5.685 -2.231 0.002 1.00 0.00 N ATOM 276 CA VAL A 14 -4.686 -3.128 -0.644 1.00 0.00 C ATOM 277 C VAL A 14 -3.671 -3.579 0.402 1.00 0.00 C ATOM 278 O VAL A 14 -3.157 -4.679 0.354 1.00 0.00 O ATOM 279 CB VAL A 14 -3.970 -2.381 -1.772 1.00 0.00 C ATOM 280 CG1 VAL A 14 -3.016 -1.346 -1.174 1.00 0.00 C ATOM 281 CG2 VAL A 14 -3.175 -3.378 -2.618 1.00 0.00 C ATOM 0 H VAL A 14 -5.588 -1.240 -0.221 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.192 -3.998 -1.062 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.706 -1.877 -2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.506 -0.814 -1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.581 -0.636 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.280 -1.849 -0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.665 -2.847 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.439 -3.882 -1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.854 -4.116 -3.045 1.00 0.00 H new ATOM 291 N PHE A 15 -3.382 -2.736 1.348 1.00 0.00 N ATOM 292 CA PHE A 15 -2.402 -3.105 2.409 1.00 0.00 C ATOM 293 C PHE A 15 -2.972 -4.242 3.252 1.00 0.00 C ATOM 294 O PHE A 15 -2.263 -5.127 3.687 1.00 0.00 O ATOM 295 CB PHE A 15 -2.133 -1.891 3.301 1.00 0.00 C ATOM 296 CG PHE A 15 -0.779 -1.310 2.973 1.00 0.00 C ATOM 297 CD1 PHE A 15 -0.476 -0.936 1.657 1.00 0.00 C ATOM 298 CD2 PHE A 15 0.175 -1.144 3.984 1.00 0.00 C ATOM 299 CE1 PHE A 15 0.780 -0.396 1.355 1.00 0.00 C ATOM 300 CE2 PHE A 15 1.431 -0.604 3.681 1.00 0.00 C ATOM 301 CZ PHE A 15 1.733 -0.231 2.367 1.00 0.00 C ATOM 0 H PHE A 15 -3.783 -1.802 1.435 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.469 -3.428 1.947 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.908 -1.139 3.152 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.170 -2.183 4.350 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.211 -1.064 0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.058 -1.433 4.998 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.014 -0.107 0.341 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.166 -0.476 4.462 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.702 0.185 2.133 1.00 0.00 H new ATOM 311 N LYS A 16 -4.250 -4.221 3.485 1.00 0.00 N ATOM 312 CA LYS A 16 -4.880 -5.297 4.301 1.00 0.00 C ATOM 313 C LYS A 16 -4.744 -6.633 3.572 1.00 0.00 C ATOM 314 O LYS A 16 -4.775 -7.687 4.174 1.00 0.00 O ATOM 315 CB LYS A 16 -6.362 -4.976 4.510 1.00 0.00 C ATOM 316 CG LYS A 16 -6.827 -5.563 5.845 1.00 0.00 C ATOM 317 CD LYS A 16 -7.899 -6.623 5.590 1.00 0.00 C ATOM 318 CE LYS A 16 -8.767 -6.783 6.841 1.00 0.00 C ATOM 319 NZ LYS A 16 -9.958 -7.617 6.515 1.00 0.00 N ATOM 0 H LYS A 16 -4.891 -3.504 3.146 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.383 -5.360 5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.516 -3.897 4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.953 -5.389 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.983 -6.004 6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.225 -4.774 6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.517 -6.333 4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.432 -7.574 5.335 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.190 -7.250 7.640 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.083 -5.805 7.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.548 -7.726 7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.511 -7.154 5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.647 -8.554 6.187 1.00 0.00 H new ATOM 333 N LYS A 17 -4.593 -6.595 2.280 1.00 0.00 N ATOM 334 CA LYS A 17 -4.454 -7.860 1.507 1.00 0.00 C ATOM 335 C LYS A 17 -3.102 -8.497 1.811 1.00 0.00 C ATOM 336 O LYS A 17 -2.998 -9.684 2.050 1.00 0.00 O ATOM 337 CB LYS A 17 -4.552 -7.560 0.009 1.00 0.00 C ATOM 338 CG LYS A 17 -5.724 -6.612 -0.249 1.00 0.00 C ATOM 339 CD LYS A 17 -6.912 -7.404 -0.801 1.00 0.00 C ATOM 340 CE LYS A 17 -8.208 -6.635 -0.535 1.00 0.00 C ATOM 341 NZ LYS A 17 -8.982 -7.323 0.536 1.00 0.00 N ATOM 0 H LYS A 17 -4.560 -5.741 1.723 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.251 -8.547 1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.624 -7.111 -0.344 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.690 -8.486 -0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.008 -6.108 0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.430 -5.837 -0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.787 -7.568 -1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.957 -8.387 -0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.981 -5.612 -0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.802 -6.576 -1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.863 -6.801 0.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.210 -8.291 0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.414 -7.358 1.407 1.00 0.00 H new ATOM 355 N ILE A 18 -2.065 -7.715 1.799 1.00 0.00 N ATOM 356 CA ILE A 18 -0.710 -8.267 2.085 1.00 0.00 C ATOM 357 C ILE A 18 -0.566 -8.528 3.579 1.00 0.00 C ATOM 358 O ILE A 18 0.177 -9.392 3.997 1.00 0.00 O ATOM 359 CB ILE A 18 0.358 -7.272 1.628 1.00 0.00 C ATOM 360 CG1 ILE A 18 0.105 -5.914 2.287 1.00 0.00 C ATOM 361 CG2 ILE A 18 0.295 -7.118 0.107 1.00 0.00 C ATOM 362 CD1 ILE A 18 1.442 -5.234 2.585 1.00 0.00 C ATOM 0 H ILE A 18 -2.093 -6.714 1.603 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.582 -9.205 1.544 1.00 0.00 H new ATOM 0 HB ILE A 18 1.343 -7.639 1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.496 -5.285 1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.462 -6.045 3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.056 -6.409 -0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.474 -8.084 -0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.690 -6.751 -0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.262 -4.267 3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.027 -5.861 3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.992 -5.089 1.655 1.00 0.00 H new ATOM 374 N GLU A 19 -1.278 -7.802 4.386 1.00 0.00 N ATOM 375 CA GLU A 19 -1.183 -8.031 5.850 1.00 0.00 C ATOM 376 C GLU A 19 -1.556 -9.481 6.135 1.00 0.00 C ATOM 377 O GLU A 19 -0.942 -10.151 6.940 1.00 0.00 O ATOM 378 CB GLU A 19 -2.144 -7.095 6.583 1.00 0.00 C ATOM 379 CG GLU A 19 -1.565 -6.739 7.954 1.00 0.00 C ATOM 380 CD GLU A 19 -0.689 -5.490 7.830 1.00 0.00 C ATOM 381 OE1 GLU A 19 0.254 -5.527 7.058 1.00 0.00 O ATOM 382 OE2 GLU A 19 -0.977 -4.519 8.510 1.00 0.00 O ATOM 0 H GLU A 19 -1.919 -7.063 4.098 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.169 -7.831 6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.303 -6.189 5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.116 -7.574 6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.371 -6.562 8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.977 -7.572 8.340 1.00 0.00 H new ATOM 389 N LYS A 20 -2.552 -9.970 5.458 1.00 0.00 N ATOM 390 CA LYS A 20 -2.975 -11.382 5.663 1.00 0.00 C ATOM 391 C LYS A 20 -1.930 -12.305 5.046 1.00 0.00 C ATOM 392 O LYS A 20 -1.787 -13.449 5.430 1.00 0.00 O ATOM 393 CB LYS A 20 -4.330 -11.614 4.989 1.00 0.00 C ATOM 394 CG LYS A 20 -5.396 -11.863 6.057 1.00 0.00 C ATOM 395 CD LYS A 20 -5.826 -13.331 6.017 1.00 0.00 C ATOM 396 CE LYS A 20 -7.193 -13.483 6.686 1.00 0.00 C ATOM 397 NZ LYS A 20 -8.122 -12.442 6.160 1.00 0.00 N ATOM 0 H LYS A 20 -3.095 -9.451 4.768 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.067 -11.590 6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.601 -10.748 4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.271 -12.467 4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.003 -11.615 7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.256 -11.216 5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.874 -13.678 4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.089 -13.951 6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.596 -14.477 6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.094 -13.385 7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.097 -12.804 6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.057 -11.588 6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.861 -12.206 5.181 1.00 0.00 H new ATOM 411 N ALA A 21 -1.193 -11.808 4.095 1.00 0.00 N ATOM 412 CA ALA A 21 -0.144 -12.644 3.450 1.00 0.00 C ATOM 413 C ALA A 21 1.207 -12.339 4.099 1.00 0.00 C ATOM 414 O ALA A 21 2.194 -12.997 3.837 1.00 0.00 O ATOM 415 CB ALA A 21 -0.080 -12.318 1.956 1.00 0.00 C ATOM 0 H ALA A 21 -1.271 -10.857 3.735 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.383 -13.700 3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.688 -12.930 1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.046 -12.528 1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.163 -11.264 1.824 1.00 0.00 H new ATOM 421 N GLY A 22 1.259 -11.346 4.947 1.00 0.00 N ATOM 422 CA GLY A 22 2.547 -11.005 5.613 1.00 0.00 C ATOM 423 C GLY A 22 3.650 -10.877 4.560 1.00 0.00 C ATOM 424 O GLY A 22 3.373 -10.812 3.379 1.00 0.00 O ATOM 0 H GLY A 22 0.466 -10.758 5.206 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.447 -10.070 6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.809 -11.776 6.337 1.00 0.00 H new ATOM 428 N PRO A 23 4.874 -10.853 5.024 1.00 0.00 N ATOM 429 CA PRO A 23 6.053 -10.744 4.149 1.00 0.00 C ATOM 430 C PRO A 23 6.354 -12.101 3.507 1.00 0.00 C ATOM 431 O PRO A 23 7.328 -12.264 2.798 1.00 0.00 O ATOM 432 CB PRO A 23 7.174 -10.326 5.105 1.00 0.00 C ATOM 433 CG PRO A 23 6.726 -10.764 6.519 1.00 0.00 C ATOM 434 CD PRO A 23 5.195 -10.934 6.464 1.00 0.00 C ATOM 0 HA PRO A 23 5.922 -10.038 3.329 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.116 -10.801 4.831 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.337 -9.249 5.065 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.209 -11.698 6.806 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.006 -10.018 7.263 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.885 -11.889 6.888 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.687 -10.153 7.030 1.00 0.00 H new ATOM 442 N LYS A 24 5.522 -13.076 3.754 1.00 0.00 N ATOM 443 CA LYS A 24 5.747 -14.425 3.167 1.00 0.00 C ATOM 444 C LYS A 24 5.807 -14.316 1.642 1.00 0.00 C ATOM 445 O LYS A 24 6.267 -15.212 0.963 1.00 0.00 O ATOM 446 CB LYS A 24 4.592 -15.342 3.571 1.00 0.00 C ATOM 447 CG LYS A 24 4.880 -16.768 3.096 1.00 0.00 C ATOM 448 CD LYS A 24 5.067 -17.682 4.308 1.00 0.00 C ATOM 449 CE LYS A 24 6.545 -18.045 4.451 1.00 0.00 C ATOM 450 NZ LYS A 24 6.799 -18.563 5.825 1.00 0.00 N ATOM 0 H LYS A 24 4.692 -12.994 4.341 1.00 0.00 H new ATOM 0 HA LYS A 24 6.688 -14.835 3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.464 -15.327 4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.660 -14.984 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.058 -17.130 2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.776 -16.782 2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.715 -17.183 5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.469 -18.586 4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.819 -18.797 3.711 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.166 -17.169 4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.805 -18.810 5.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.553 -17.832 6.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.217 -19.409 5.990 1.00 0.00 H new ATOM 464 N TRP A 25 5.347 -13.223 1.099 1.00 0.00 N ATOM 465 CA TRP A 25 5.379 -13.055 -0.380 1.00 0.00 C ATOM 466 C TRP A 25 6.778 -12.614 -0.815 1.00 0.00 C ATOM 467 O TRP A 25 7.011 -12.306 -1.967 1.00 0.00 O ATOM 468 CB TRP A 25 4.359 -11.992 -0.795 1.00 0.00 C ATOM 469 CG TRP A 25 3.117 -12.657 -1.295 1.00 0.00 C ATOM 470 CD1 TRP A 25 2.452 -13.644 -0.651 1.00 0.00 C ATOM 471 CD2 TRP A 25 2.380 -12.402 -2.526 1.00 0.00 C ATOM 472 NE1 TRP A 25 1.354 -14.011 -1.409 1.00 0.00 N ATOM 473 CE2 TRP A 25 1.267 -13.273 -2.573 1.00 0.00 C ATOM 474 CE3 TRP A 25 2.569 -11.508 -3.595 1.00 0.00 C ATOM 475 CZ2 TRP A 25 0.372 -13.258 -3.644 1.00 0.00 C ATOM 476 CZ3 TRP A 25 1.669 -11.489 -4.674 1.00 0.00 C ATOM 477 CH2 TRP A 25 0.573 -12.363 -4.698 1.00 0.00 C ATOM 0 H TRP A 25 4.950 -12.439 1.616 1.00 0.00 H new ATOM 0 HA TRP A 25 5.132 -14.003 -0.857 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.123 -11.349 0.053 1.00 0.00 H new ATOM 0 HB3 TRP A 25 4.780 -11.353 -1.572 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.732 -14.075 0.299 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.690 -14.738 -1.141 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.411 -10.832 -3.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -0.470 -13.934 -3.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 1.822 -10.797 -5.489 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -0.115 -12.344 -5.530 1.00 0.00 H new ATOM 488 N LYS A 26 7.712 -12.577 0.098 1.00 0.00 N ATOM 489 CA LYS A 26 9.093 -12.153 -0.267 1.00 0.00 C ATOM 490 C LYS A 26 9.890 -13.366 -0.744 1.00 0.00 C ATOM 491 O LYS A 26 10.885 -13.238 -1.431 1.00 0.00 O ATOM 492 CB LYS A 26 9.779 -11.539 0.955 1.00 0.00 C ATOM 493 CG LYS A 26 9.795 -10.015 0.820 1.00 0.00 C ATOM 494 CD LYS A 26 9.039 -9.391 1.993 1.00 0.00 C ATOM 495 CE LYS A 26 9.717 -9.786 3.306 1.00 0.00 C ATOM 496 NZ LYS A 26 11.168 -9.453 3.235 1.00 0.00 N ATOM 0 H LYS A 26 7.578 -12.822 1.079 1.00 0.00 H new ATOM 0 HA LYS A 26 9.046 -11.413 -1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.253 -11.829 1.864 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.797 -11.918 1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.823 -9.652 0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.335 -9.718 -0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.022 -8.306 1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.002 -9.727 1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.253 -9.260 4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.586 -10.853 3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.570 -9.446 4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.660 -10.166 2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.288 -8.515 2.802 1.00 0.00 H new ATOM 510 N VAL A 27 9.460 -14.543 -0.389 1.00 0.00 N ATOM 511 CA VAL A 27 10.190 -15.766 -0.822 1.00 0.00 C ATOM 512 C VAL A 27 9.823 -16.086 -2.270 1.00 0.00 C ATOM 513 O VAL A 27 10.621 -16.600 -3.028 1.00 0.00 O ATOM 514 CB VAL A 27 9.804 -16.941 0.078 1.00 0.00 C ATOM 515 CG1 VAL A 27 10.517 -16.810 1.425 1.00 0.00 C ATOM 516 CG2 VAL A 27 8.290 -16.935 0.301 1.00 0.00 C ATOM 0 H VAL A 27 8.633 -14.712 0.184 1.00 0.00 H new ATOM 0 HA VAL A 27 11.264 -15.595 -0.747 1.00 0.00 H new ATOM 0 HB VAL A 27 10.099 -17.876 -0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.241 -17.648 2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.596 -16.813 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.223 -15.876 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.013 -17.772 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.996 -16.000 0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.781 -17.029 -0.658 1.00 0.00 H new ATOM 526 N PHE A 28 8.618 -15.783 -2.654 1.00 0.00 N ATOM 527 CA PHE A 28 8.184 -16.064 -4.051 1.00 0.00 C ATOM 528 C PHE A 28 9.064 -15.284 -5.026 1.00 0.00 C ATOM 529 O PHE A 28 9.260 -15.682 -6.158 1.00 0.00 O ATOM 530 CB PHE A 28 6.725 -15.640 -4.229 1.00 0.00 C ATOM 531 CG PHE A 28 5.902 -16.832 -4.656 1.00 0.00 C ATOM 532 CD1 PHE A 28 6.087 -18.071 -4.030 1.00 0.00 C ATOM 533 CD2 PHE A 28 4.955 -16.697 -5.679 1.00 0.00 C ATOM 534 CE1 PHE A 28 5.324 -19.175 -4.427 1.00 0.00 C ATOM 535 CE2 PHE A 28 4.192 -17.802 -6.076 1.00 0.00 C ATOM 536 CZ PHE A 28 4.376 -19.041 -5.450 1.00 0.00 C ATOM 0 H PHE A 28 7.911 -15.351 -2.060 1.00 0.00 H new ATOM 0 HA PHE A 28 8.278 -17.131 -4.251 1.00 0.00 H new ATOM 0 HB2 PHE A 28 6.337 -15.233 -3.295 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.654 -14.849 -4.976 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.818 -18.174 -3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.813 -15.741 -6.161 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.466 -20.131 -3.945 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.462 -17.699 -6.865 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.787 -19.893 -5.756 1.00 0.00 H new ATOM 546 N LYS A 29 9.594 -14.177 -4.596 1.00 0.00 N ATOM 547 CA LYS A 29 10.461 -13.365 -5.496 1.00 0.00 C ATOM 548 C LYS A 29 11.773 -14.107 -5.751 1.00 0.00 C ATOM 549 O LYS A 29 12.438 -13.892 -6.745 1.00 0.00 O ATOM 550 CB LYS A 29 10.758 -12.014 -4.842 1.00 0.00 C ATOM 551 CG LYS A 29 11.127 -10.994 -5.922 1.00 0.00 C ATOM 552 CD LYS A 29 11.737 -9.754 -5.267 1.00 0.00 C ATOM 553 CE LYS A 29 12.161 -8.760 -6.349 1.00 0.00 C ATOM 554 NZ LYS A 29 12.771 -9.499 -7.491 1.00 0.00 N ATOM 0 H LYS A 29 9.465 -13.796 -3.658 1.00 0.00 H new ATOM 0 HA LYS A 29 9.946 -13.204 -6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.888 -11.669 -4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.575 -12.115 -4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.836 -11.433 -6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.241 -10.718 -6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.013 -9.291 -4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.598 -10.036 -4.661 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.298 -8.188 -6.691 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.876 -8.045 -5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.366 -8.851 -8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.354 -10.279 -7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.019 -9.883 -8.098 1.00 0.00 H new ATOM 568 N LYS A 30 12.149 -14.980 -4.861 1.00 0.00 N ATOM 569 CA LYS A 30 13.418 -15.737 -5.052 1.00 0.00 C ATOM 570 C LYS A 30 13.354 -16.507 -6.368 1.00 0.00 C ATOM 571 O LYS A 30 14.352 -16.724 -7.027 1.00 0.00 O ATOM 572 CB LYS A 30 13.610 -16.719 -3.894 1.00 0.00 C ATOM 573 CG LYS A 30 15.028 -17.293 -3.942 1.00 0.00 C ATOM 574 CD LYS A 30 15.997 -16.322 -3.264 1.00 0.00 C ATOM 575 CE LYS A 30 17.393 -16.489 -3.866 1.00 0.00 C ATOM 576 NZ LYS A 30 18.123 -15.192 -3.794 1.00 0.00 N ATOM 0 H LYS A 30 11.634 -15.203 -4.009 1.00 0.00 H new ATOM 0 HA LYS A 30 14.256 -15.041 -5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.443 -16.214 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.878 -17.524 -3.960 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.057 -18.261 -3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.329 -17.460 -4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.653 -15.296 -3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.027 -16.512 -2.191 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.944 -17.259 -3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 30 17.317 -16.819 -4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 19.072 -15.305 -4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 17.600 -14.469 -4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 18.207 -14.896 -2.801 1.00 0.00 H new ATOM 590 N ILE A 31 12.183 -16.916 -6.757 1.00 0.00 N ATOM 591 CA ILE A 31 12.037 -17.670 -8.033 1.00 0.00 C ATOM 592 C ILE A 31 12.256 -16.719 -9.208 1.00 0.00 C ATOM 593 O ILE A 31 12.833 -17.076 -10.216 1.00 0.00 O ATOM 594 CB ILE A 31 10.634 -18.273 -8.111 1.00 0.00 C ATOM 595 CG1 ILE A 31 10.543 -19.466 -7.157 1.00 0.00 C ATOM 596 CG2 ILE A 31 10.351 -18.740 -9.540 1.00 0.00 C ATOM 597 CD1 ILE A 31 9.100 -19.966 -7.097 1.00 0.00 C ATOM 0 H ILE A 31 11.315 -16.761 -6.245 1.00 0.00 H new ATOM 0 HA ILE A 31 12.775 -18.471 -8.073 1.00 0.00 H new ATOM 0 HB ILE A 31 9.899 -17.519 -7.828 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.202 -20.266 -7.495 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.879 -19.175 -6.162 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.350 -19.169 -9.591 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.417 -17.891 -10.220 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.084 -19.493 -9.828 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.037 -20.816 -6.417 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.452 -19.166 -6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.780 -20.274 -8.092 1.00 0.00 H new ATOM 609 N GLU A 32 11.798 -15.511 -9.079 1.00 0.00 N ATOM 610 CA GLU A 32 11.970 -14.523 -10.180 1.00 0.00 C ATOM 611 C GLU A 32 13.459 -14.278 -10.411 1.00 0.00 C ATOM 612 O GLU A 32 13.888 -13.962 -11.503 1.00 0.00 O ATOM 613 CB GLU A 32 11.289 -13.208 -9.797 1.00 0.00 C ATOM 614 CG GLU A 32 10.068 -12.984 -10.692 1.00 0.00 C ATOM 615 CD GLU A 32 9.540 -11.564 -10.489 1.00 0.00 C ATOM 616 OE1 GLU A 32 10.229 -10.635 -10.876 1.00 0.00 O ATOM 617 OE2 GLU A 32 8.453 -11.428 -9.948 1.00 0.00 O ATOM 0 H GLU A 32 11.309 -15.160 -8.255 1.00 0.00 H new ATOM 0 HA GLU A 32 11.518 -14.911 -11.093 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.986 -13.235 -8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.989 -12.379 -9.905 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.337 -13.137 -11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.291 -13.710 -10.453 1.00 0.00 H new ATOM 624 N LYS A 33 14.249 -14.426 -9.388 1.00 0.00 N ATOM 625 CA LYS A 33 15.714 -14.206 -9.535 1.00 0.00 C ATOM 626 C LYS A 33 16.431 -15.558 -9.550 1.00 0.00 C ATOM 627 O LYS A 33 16.916 -15.996 -10.574 1.00 0.00 O ATOM 628 CB LYS A 33 16.224 -13.370 -8.359 1.00 0.00 C ATOM 629 CG LYS A 33 17.695 -13.017 -8.584 1.00 0.00 C ATOM 630 CD LYS A 33 18.056 -11.783 -7.754 1.00 0.00 C ATOM 631 CE LYS A 33 17.576 -10.524 -8.479 1.00 0.00 C ATOM 632 NZ LYS A 33 18.405 -10.307 -9.698 1.00 0.00 N ATOM 0 H LYS A 33 13.943 -14.691 -8.452 1.00 0.00 H new ATOM 0 HA LYS A 33 15.912 -13.678 -10.468 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.631 -12.460 -8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.111 -13.925 -7.428 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.329 -13.857 -8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.876 -12.823 -9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.595 -11.846 -6.768 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.134 -11.738 -7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.526 -10.627 -8.754 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.649 -9.660 -7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.407 -9.296 -9.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.379 -10.622 -9.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.008 -10.852 -10.490 1.00 0.00 H new HETATM 646 N NH2 A 34 16.520 -16.244 -8.443 1.00 0.00 N TER 649 NH2 A 34