USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 270 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -165:sc= 0 (180deg=-0.199) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 14.725 -6.900 12.910 1.00 0.00 N ATOM 2 CA LYS A 1 13.775 -6.056 12.123 1.00 0.00 C ATOM 3 C LYS A 1 14.057 -6.082 10.613 1.00 0.00 C ATOM 4 O LYS A 1 13.166 -6.446 9.847 1.00 0.00 O ATOM 5 CB LYS A 1 13.654 -4.628 12.707 1.00 0.00 C ATOM 6 CG LYS A 1 12.275 -3.999 12.410 1.00 0.00 C ATOM 7 CD LYS A 1 11.735 -3.123 13.556 1.00 0.00 C ATOM 8 CE LYS A 1 11.388 -3.965 14.797 1.00 0.00 C ATOM 9 NZ LYS A 1 10.660 -3.175 15.823 1.00 0.00 N ATOM 0 H1 LYS A 1 14.485 -6.843 13.920 1.00 0.00 H new ATOM 0 H2 LYS A 1 14.656 -7.888 12.593 1.00 0.00 H new ATOM 0 H3 LYS A 1 15.696 -6.557 12.765 1.00 0.00 H new ATOM 0 HA LYS A 1 12.790 -6.510 12.228 1.00 0.00 H new ATOM 0 HB2 LYS A 1 13.813 -4.662 13.785 1.00 0.00 H new ATOM 0 HB3 LYS A 1 14.438 -3.997 12.289 1.00 0.00 H new ATOM 0 HG2 LYS A 1 12.348 -3.395 11.506 1.00 0.00 H new ATOM 0 HG3 LYS A 1 11.559 -4.795 12.204 1.00 0.00 H new ATOM 0 HD2 LYS A 1 12.478 -2.371 13.822 1.00 0.00 H new ATOM 0 HD3 LYS A 1 10.847 -2.588 13.219 1.00 0.00 H new ATOM 0 HE2 LYS A 1 10.779 -4.818 14.497 1.00 0.00 H new ATOM 0 HE3 LYS A 1 12.304 -4.365 15.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 10.447 -3.781 16.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 11.251 -2.376 16.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 9.772 -2.814 15.418 1.00 0.00 H new ATOM 25 N LYS A 2 15.289 -5.780 10.164 1.00 0.00 N ATOM 26 CA LYS A 2 15.731 -5.739 8.744 1.00 0.00 C ATOM 27 C LYS A 2 15.358 -6.989 7.919 1.00 0.00 C ATOM 28 O LYS A 2 14.993 -6.867 6.751 1.00 0.00 O ATOM 29 CB LYS A 2 17.248 -5.422 8.716 1.00 0.00 C ATOM 30 CG LYS A 2 17.661 -4.367 7.668 1.00 0.00 C ATOM 31 CD LYS A 2 18.029 -4.956 6.299 1.00 0.00 C ATOM 32 CE LYS A 2 19.405 -5.641 6.356 1.00 0.00 C ATOM 33 NZ LYS A 2 19.459 -6.863 5.512 1.00 0.00 N ATOM 0 H LYS A 2 16.045 -5.545 10.807 1.00 0.00 H new ATOM 0 HA LYS A 2 15.179 -4.945 8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.552 -5.074 9.703 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.796 -6.344 8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 2 16.843 -3.659 7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 2 18.512 -3.804 8.050 1.00 0.00 H new ATOM 0 HD2 LYS A 2 17.271 -5.676 5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.041 -4.166 5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 2 20.172 -4.940 6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.636 -5.904 7.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 20.404 -7.291 5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.745 -7.544 5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 19.265 -6.610 4.522 1.00 0.00 H new ATOM 47 N LYS A 3 15.361 -8.181 8.533 1.00 0.00 N ATOM 48 CA LYS A 3 14.931 -9.471 7.936 1.00 0.00 C ATOM 49 C LYS A 3 13.474 -9.480 7.432 1.00 0.00 C ATOM 50 O LYS A 3 13.145 -10.234 6.516 1.00 0.00 O ATOM 51 CB LYS A 3 15.169 -10.618 8.943 1.00 0.00 C ATOM 52 CG LYS A 3 14.279 -10.515 10.198 1.00 0.00 C ATOM 53 CD LYS A 3 14.570 -11.563 11.281 1.00 0.00 C ATOM 54 CE LYS A 3 14.156 -12.976 10.850 1.00 0.00 C ATOM 55 NZ LYS A 3 13.971 -13.870 12.025 1.00 0.00 N ATOM 0 H LYS A 3 15.674 -8.286 9.498 1.00 0.00 H new ATOM 0 HA LYS A 3 15.544 -9.618 7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.982 -11.572 8.449 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.216 -10.616 9.246 1.00 0.00 H new ATOM 0 HG2 LYS A 3 14.400 -9.522 10.631 1.00 0.00 H new ATOM 0 HG3 LYS A 3 13.236 -10.606 9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 3 15.635 -11.554 11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.040 -11.294 12.195 1.00 0.00 H new ATOM 0 HE2 LYS A 3 13.229 -12.927 10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 3 14.916 -13.394 10.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 13.691 -14.817 11.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 14.863 -13.935 12.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 13.229 -13.483 12.642 1.00 0.00 H new ATOM 69 N ASN A 4 12.618 -8.627 8.004 1.00 0.00 N ATOM 70 CA ASN A 4 11.198 -8.452 7.678 1.00 0.00 C ATOM 71 C ASN A 4 10.939 -7.190 6.823 1.00 0.00 C ATOM 72 O ASN A 4 9.789 -6.795 6.638 1.00 0.00 O ATOM 73 CB ASN A 4 10.386 -8.447 8.992 1.00 0.00 C ATOM 74 CG ASN A 4 10.465 -9.760 9.758 1.00 0.00 C ATOM 75 OD1 ASN A 4 10.366 -10.847 9.208 1.00 0.00 O ATOM 76 ND2 ASN A 4 10.636 -9.715 11.061 1.00 0.00 N ATOM 0 H ASN A 4 12.916 -8.002 8.753 1.00 0.00 H new ATOM 0 HA ASN A 4 10.871 -9.287 7.058 1.00 0.00 H new ATOM 0 HB2 ASN A 4 10.747 -7.641 9.630 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.342 -8.230 8.764 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.684 -10.580 11.599 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.720 -8.815 11.534 1.00 0.00 H new ATOM 83 N TRP A 5 11.975 -6.531 6.290 1.00 0.00 N ATOM 84 CA TRP A 5 11.818 -5.337 5.444 1.00 0.00 C ATOM 85 C TRP A 5 11.188 -5.648 4.072 1.00 0.00 C ATOM 86 O TRP A 5 10.361 -4.881 3.573 1.00 0.00 O ATOM 87 CB TRP A 5 13.179 -4.649 5.288 1.00 0.00 C ATOM 88 CG TRP A 5 13.099 -3.234 4.814 1.00 0.00 C ATOM 89 CD1 TRP A 5 13.351 -2.796 3.560 1.00 0.00 C ATOM 90 CD2 TRP A 5 12.715 -2.057 5.587 1.00 0.00 C ATOM 91 NE1 TRP A 5 13.149 -1.428 3.504 1.00 0.00 N ATOM 92 CE2 TRP A 5 12.750 -0.922 4.724 1.00 0.00 C ATOM 93 CE3 TRP A 5 12.336 -1.836 6.930 1.00 0.00 C ATOM 94 CZ2 TRP A 5 12.419 0.367 5.169 1.00 0.00 C ATOM 95 CZ3 TRP A 5 12.003 -0.546 7.388 1.00 0.00 C ATOM 96 CH2 TRP A 5 12.043 0.554 6.511 1.00 0.00 C ATOM 0 H TRP A 5 12.946 -6.809 6.432 1.00 0.00 H new ATOM 0 HA TRP A 5 11.119 -4.664 5.941 1.00 0.00 H new ATOM 0 HB2 TRP A 5 13.696 -4.670 6.247 1.00 0.00 H new ATOM 0 HB3 TRP A 5 13.785 -5.222 4.586 1.00 0.00 H new ATOM 0 HD1 TRP A 5 13.661 -3.416 2.732 1.00 0.00 H new ATOM 0 HE1 TRP A 5 13.279 -0.864 2.664 1.00 0.00 H new ATOM 0 HE3 TRP A 5 12.301 -2.669 7.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 12.453 1.205 4.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 11.715 -0.400 8.419 1.00 0.00 H new ATOM 0 HH2 TRP A 5 11.785 1.540 6.868 1.00 0.00 H new ATOM 107 N PHE A 6 11.535 -6.798 3.478 1.00 0.00 N ATOM 108 CA PHE A 6 10.973 -7.305 2.216 1.00 0.00 C ATOM 109 C PHE A 6 9.526 -7.833 2.345 1.00 0.00 C ATOM 110 O PHE A 6 8.874 -8.101 1.336 1.00 0.00 O ATOM 111 CB PHE A 6 11.898 -8.410 1.661 1.00 0.00 C ATOM 112 CG PHE A 6 12.321 -8.272 0.204 1.00 0.00 C ATOM 113 CD1 PHE A 6 11.401 -7.920 -0.806 1.00 0.00 C ATOM 114 CD2 PHE A 6 13.659 -8.538 -0.150 1.00 0.00 C ATOM 115 CE1 PHE A 6 11.814 -7.838 -2.149 1.00 0.00 C ATOM 116 CE2 PHE A 6 14.073 -8.461 -1.492 1.00 0.00 C ATOM 117 CZ PHE A 6 13.150 -8.112 -2.493 1.00 0.00 C ATOM 0 H PHE A 6 12.237 -7.422 3.875 1.00 0.00 H new ATOM 0 HA PHE A 6 10.920 -6.462 1.528 1.00 0.00 H new ATOM 0 HB2 PHE A 6 12.797 -8.443 2.276 1.00 0.00 H new ATOM 0 HB3 PHE A 6 11.394 -9.369 1.781 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.373 -7.712 -0.547 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.373 -8.803 0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 6 11.105 -7.564 -2.916 1.00 0.00 H new ATOM 0 HE2 PHE A 6 15.100 -8.670 -1.753 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.466 -8.054 -3.524 1.00 0.00 H new ATOM 127 N ASP A 7 8.997 -7.994 3.564 1.00 0.00 N ATOM 128 CA ASP A 7 7.612 -8.412 3.814 1.00 0.00 C ATOM 129 C ASP A 7 6.637 -7.286 3.427 1.00 0.00 C ATOM 130 O ASP A 7 6.291 -6.426 4.242 1.00 0.00 O ATOM 131 CB ASP A 7 7.411 -8.846 5.279 1.00 0.00 C ATOM 132 CG ASP A 7 7.913 -10.269 5.583 1.00 0.00 C ATOM 133 OD1 ASP A 7 9.043 -10.633 5.179 1.00 0.00 O ATOM 134 OD2 ASP A 7 7.168 -11.034 6.242 1.00 0.00 O ATOM 0 H ASP A 7 9.529 -7.835 4.420 1.00 0.00 H new ATOM 0 HA ASP A 7 7.400 -9.280 3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.929 -8.142 5.930 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.350 -8.786 5.523 1.00 0.00 H new ATOM 139 N ILE A 8 6.182 -7.297 2.167 1.00 0.00 N ATOM 140 CA ILE A 8 5.309 -6.260 1.589 1.00 0.00 C ATOM 141 C ILE A 8 4.022 -6.050 2.397 1.00 0.00 C ATOM 142 O ILE A 8 3.477 -4.951 2.418 1.00 0.00 O ATOM 143 CB ILE A 8 5.009 -6.511 0.093 1.00 0.00 C ATOM 144 CG1 ILE A 8 4.048 -7.700 -0.144 1.00 0.00 C ATOM 145 CG2 ILE A 8 6.325 -6.695 -0.685 1.00 0.00 C ATOM 146 CD1 ILE A 8 3.664 -7.902 -1.616 1.00 0.00 C ATOM 0 H ILE A 8 6.413 -8.039 1.507 1.00 0.00 H new ATOM 0 HA ILE A 8 5.872 -5.329 1.651 1.00 0.00 H new ATOM 0 HB ILE A 8 4.490 -5.629 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.515 -8.612 0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.141 -7.544 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.104 -6.871 -1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.934 -5.796 -0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.870 -7.548 -0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.989 -8.753 -1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.168 -7.006 -1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.562 -8.090 -2.204 1.00 0.00 H new ATOM 158 N THR A 9 3.569 -7.080 3.122 1.00 0.00 N ATOM 159 CA THR A 9 2.419 -7.055 4.040 1.00 0.00 C ATOM 160 C THR A 9 2.483 -5.945 5.103 1.00 0.00 C ATOM 161 O THR A 9 1.443 -5.420 5.504 1.00 0.00 O ATOM 162 CB THR A 9 2.203 -8.446 4.670 1.00 0.00 C ATOM 163 OG1 THR A 9 1.060 -8.461 5.495 1.00 0.00 O ATOM 164 CG2 THR A 9 3.390 -8.943 5.497 1.00 0.00 C ATOM 0 H THR A 9 4.014 -7.997 3.084 1.00 0.00 H new ATOM 0 HA THR A 9 1.549 -6.804 3.434 1.00 0.00 H new ATOM 0 HB THR A 9 2.078 -9.117 3.820 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.946 -9.355 5.880 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.162 -9.927 5.907 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.273 -9.011 4.862 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.582 -8.246 6.313 1.00 0.00 H new ATOM 172 N ASN A 10 3.684 -5.503 5.503 1.00 0.00 N ATOM 173 CA ASN A 10 3.848 -4.392 6.445 1.00 0.00 C ATOM 174 C ASN A 10 3.333 -3.053 5.869 1.00 0.00 C ATOM 175 O ASN A 10 2.580 -2.339 6.533 1.00 0.00 O ATOM 176 CB ASN A 10 5.323 -4.316 6.875 1.00 0.00 C ATOM 177 CG ASN A 10 5.502 -3.407 8.082 1.00 0.00 C ATOM 178 OD1 ASN A 10 5.028 -3.690 9.174 1.00 0.00 O ATOM 179 ND2 ASN A 10 6.184 -2.294 7.942 1.00 0.00 N ATOM 0 H ASN A 10 4.565 -5.906 5.183 1.00 0.00 H new ATOM 0 HA ASN A 10 3.233 -4.581 7.325 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.686 -5.316 7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 10 5.927 -3.946 6.046 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.315 -1.673 8.740 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.582 -2.051 7.035 1.00 0.00 H new ATOM 186 N TRP A 11 3.736 -2.714 4.639 1.00 0.00 N ATOM 187 CA TRP A 11 3.313 -1.515 3.898 1.00 0.00 C ATOM 188 C TRP A 11 2.131 -1.709 2.925 1.00 0.00 C ATOM 189 O TRP A 11 1.660 -0.733 2.340 1.00 0.00 O ATOM 190 CB TRP A 11 4.538 -0.843 3.263 1.00 0.00 C ATOM 191 CG TRP A 11 5.452 -1.708 2.452 1.00 0.00 C ATOM 192 CD1 TRP A 11 6.566 -2.312 2.920 1.00 0.00 C ATOM 193 CD2 TRP A 11 5.386 -2.027 1.032 1.00 0.00 C ATOM 194 NE1 TRP A 11 7.210 -2.965 1.884 1.00 0.00 N ATOM 195 CE2 TRP A 11 6.536 -2.800 0.690 1.00 0.00 C ATOM 196 CE3 TRP A 11 4.486 -1.715 -0.008 1.00 0.00 C ATOM 197 CZ2 TRP A 11 6.788 -3.222 -0.624 1.00 0.00 C ATOM 198 CZ3 TRP A 11 4.719 -2.152 -1.327 1.00 0.00 C ATOM 199 CH2 TRP A 11 5.868 -2.901 -1.637 1.00 0.00 C ATOM 0 H TRP A 11 4.392 -3.289 4.110 1.00 0.00 H new ATOM 0 HA TRP A 11 2.880 -0.834 4.631 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.185 -0.033 2.624 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.124 -0.388 4.061 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.903 -2.289 3.946 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.072 -3.500 1.989 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.604 -1.132 0.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.679 -3.787 -0.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 4.010 -1.910 -2.105 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.043 -3.229 -2.651 1.00 0.00 H new ATOM 210 N LEU A 12 1.579 -2.922 2.791 1.00 0.00 N ATOM 211 CA LEU A 12 0.416 -3.229 1.940 1.00 0.00 C ATOM 212 C LEU A 12 -0.813 -2.370 2.273 1.00 0.00 C ATOM 213 O LEU A 12 -1.639 -2.110 1.400 1.00 0.00 O ATOM 214 CB LEU A 12 0.022 -4.723 2.057 1.00 0.00 C ATOM 215 CG LEU A 12 0.390 -5.620 0.859 1.00 0.00 C ATOM 216 CD1 LEU A 12 -0.086 -7.062 1.091 1.00 0.00 C ATOM 217 CD2 LEU A 12 -0.285 -5.145 -0.434 1.00 0.00 C ATOM 0 H LEU A 12 1.937 -3.740 3.284 1.00 0.00 H new ATOM 0 HA LEU A 12 0.727 -2.999 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.494 -5.133 2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.055 -4.782 2.211 1.00 0.00 H new ATOM 0 HG LEU A 12 1.475 -5.568 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.185 -7.677 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.388 -7.462 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.169 -7.072 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.001 -5.803 -1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.368 -5.167 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.033 -4.127 -0.658 1.00 0.00 H new ATOM 229 N TRP A 13 -0.927 -1.910 3.521 1.00 0.00 N ATOM 230 CA TRP A 13 -2.037 -1.067 3.964 1.00 0.00 C ATOM 231 C TRP A 13 -2.088 0.262 3.206 1.00 0.00 C ATOM 232 O TRP A 13 -3.142 0.636 2.696 1.00 0.00 O ATOM 233 CB TRP A 13 -1.950 -0.825 5.470 1.00 0.00 C ATOM 234 CG TRP A 13 -3.148 -0.106 6.006 1.00 0.00 C ATOM 235 CD1 TRP A 13 -4.366 -0.656 6.222 1.00 0.00 C ATOM 236 CD2 TRP A 13 -3.289 1.316 6.304 1.00 0.00 C ATOM 237 NE1 TRP A 13 -5.249 0.327 6.634 1.00 0.00 N ATOM 238 CE2 TRP A 13 -4.639 1.563 6.693 1.00 0.00 C ATOM 239 CE3 TRP A 13 -2.417 2.425 6.258 1.00 0.00 C ATOM 240 CZ2 TRP A 13 -5.101 2.847 7.024 1.00 0.00 C ATOM 241 CZ3 TRP A 13 -2.867 3.717 6.589 1.00 0.00 C ATOM 242 CH2 TRP A 13 -4.204 3.928 6.975 1.00 0.00 C ATOM 0 H TRP A 13 -0.248 -2.113 4.255 1.00 0.00 H new ATOM 0 HA TRP A 13 -2.962 -1.599 3.742 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.845 -1.781 5.983 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.054 -0.245 5.690 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.611 -1.700 6.093 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -6.228 0.159 6.865 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -1.388 2.280 5.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.130 3.002 7.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.182 4.551 6.547 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.541 4.921 7.234 1.00 0.00 H new ATOM 253 N TYR A 14 -0.947 0.942 3.068 1.00 0.00 N ATOM 254 CA TYR A 14 -0.826 2.172 2.278 1.00 0.00 C ATOM 255 C TYR A 14 -1.125 1.927 0.791 1.00 0.00 C ATOM 256 O TYR A 14 -1.673 2.802 0.122 1.00 0.00 O ATOM 257 CB TYR A 14 0.579 2.773 2.442 1.00 0.00 C ATOM 258 CG TYR A 14 1.054 2.878 3.880 1.00 0.00 C ATOM 259 CD1 TYR A 14 0.553 3.881 4.731 1.00 0.00 C ATOM 260 CD2 TYR A 14 1.977 1.938 4.374 1.00 0.00 C ATOM 261 CE1 TYR A 14 0.971 3.932 6.076 1.00 0.00 C ATOM 262 CE2 TYR A 14 2.397 1.978 5.716 1.00 0.00 C ATOM 263 CZ TYR A 14 1.892 2.981 6.574 1.00 0.00 C ATOM 264 OH TYR A 14 2.282 3.038 7.876 1.00 0.00 O ATOM 0 H TYR A 14 -0.072 0.652 3.505 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.567 2.878 2.653 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.289 2.164 1.882 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.590 3.767 1.995 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.150 4.609 4.354 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.368 1.177 3.715 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.586 4.701 6.730 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.100 1.248 6.088 1.00 0.00 H new ATOM 0 HH TYR A 14 2.916 2.314 8.059 1.00 0.00 H new ATOM 274 N ILE A 15 -0.819 0.727 0.278 1.00 0.00 N ATOM 275 CA ILE A 15 -1.126 0.338 -1.108 1.00 0.00 C ATOM 276 C ILE A 15 -2.633 0.149 -1.305 1.00 0.00 C ATOM 277 O ILE A 15 -3.190 0.686 -2.260 1.00 0.00 O ATOM 278 CB ILE A 15 -0.340 -0.913 -1.562 1.00 0.00 C ATOM 279 CG1 ILE A 15 1.172 -0.825 -1.264 1.00 0.00 C ATOM 280 CG2 ILE A 15 -0.571 -1.160 -3.063 1.00 0.00 C ATOM 281 CD1 ILE A 15 1.889 0.420 -1.803 1.00 0.00 C ATOM 0 H ILE A 15 -0.350 -0.004 0.813 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.798 1.159 -1.746 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.722 -1.752 -0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.313 -0.863 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.657 -1.708 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.014 -2.043 -3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.634 -1.317 -3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.229 -0.295 -3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.945 0.376 -1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.791 0.455 -2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.441 1.314 -1.369 1.00 0.00 H new ATOM 293 N LYS A 16 -3.326 -0.565 -0.408 1.00 0.00 N ATOM 294 CA LYS A 16 -4.793 -0.697 -0.474 1.00 0.00 C ATOM 295 C LYS A 16 -5.488 0.652 -0.252 1.00 0.00 C ATOM 296 O LYS A 16 -6.414 1.000 -0.984 1.00 0.00 O ATOM 297 CB LYS A 16 -5.273 -1.804 0.484 1.00 0.00 C ATOM 298 CG LYS A 16 -6.743 -2.194 0.226 1.00 0.00 C ATOM 299 CD LYS A 16 -7.763 -1.449 1.108 1.00 0.00 C ATOM 300 CE LYS A 16 -8.075 -2.232 2.394 1.00 0.00 C ATOM 301 NZ LYS A 16 -9.501 -2.657 2.451 1.00 0.00 N ATOM 0 H LYS A 16 -2.897 -1.061 0.373 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.078 -1.007 -1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.639 -2.683 0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.163 -1.465 1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.978 -2.003 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.856 -3.266 0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.372 -0.465 1.366 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.683 -1.289 0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.432 -3.110 2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.845 -1.613 3.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.672 -3.182 3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.115 -1.818 2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.714 -3.269 1.637 1.00 0.00 H new ATOM 315 N LEU A 17 -5.013 1.446 0.714 1.00 0.00 N ATOM 316 CA LEU A 17 -5.501 2.804 0.980 1.00 0.00 C ATOM 317 C LEU A 17 -5.270 3.769 -0.193 1.00 0.00 C ATOM 318 O LEU A 17 -6.095 4.655 -0.387 1.00 0.00 O ATOM 319 CB LEU A 17 -4.914 3.341 2.295 1.00 0.00 C ATOM 320 CG LEU A 17 -5.432 4.762 2.631 1.00 0.00 C ATOM 321 CD1 LEU A 17 -5.899 4.884 4.074 1.00 0.00 C ATOM 322 CD2 LEU A 17 -4.355 5.822 2.396 1.00 0.00 C ATOM 0 H LEU A 17 -4.265 1.158 1.344 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.583 2.739 1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.169 2.662 3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.826 3.360 2.224 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.277 4.928 1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.252 5.899 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.711 4.179 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.069 4.662 4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.753 6.806 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.493 5.611 3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.050 5.805 1.350 1.00 0.00 H new ATOM 334 N PHE A 18 -4.229 3.600 -1.014 1.00 0.00 N ATOM 335 CA PHE A 18 -4.022 4.429 -2.209 1.00 0.00 C ATOM 336 C PHE A 18 -5.289 4.494 -3.080 1.00 0.00 C ATOM 337 O PHE A 18 -5.704 5.587 -3.448 1.00 0.00 O ATOM 338 CB PHE A 18 -2.790 3.965 -3.002 1.00 0.00 C ATOM 339 CG PHE A 18 -2.562 4.669 -4.332 1.00 0.00 C ATOM 340 CD1 PHE A 18 -2.687 6.070 -4.452 1.00 0.00 C ATOM 341 CD2 PHE A 18 -2.216 3.908 -5.466 1.00 0.00 C ATOM 342 CE1 PHE A 18 -2.445 6.699 -5.687 1.00 0.00 C ATOM 343 CE2 PHE A 18 -1.987 4.536 -6.703 1.00 0.00 C ATOM 344 CZ PHE A 18 -2.098 5.933 -6.813 1.00 0.00 C ATOM 0 H PHE A 18 -3.510 2.891 -0.872 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.821 5.448 -1.877 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.906 4.106 -2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.882 2.895 -3.188 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.969 6.661 -3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.126 2.835 -5.385 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.526 7.773 -5.770 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.726 3.945 -7.569 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.917 6.417 -7.761 1.00 0.00 H new ATOM 354 N ILE A 19 -5.968 3.365 -3.314 1.00 0.00 N ATOM 355 CA ILE A 19 -7.249 3.308 -4.040 1.00 0.00 C ATOM 356 C ILE A 19 -8.391 4.018 -3.270 1.00 0.00 C ATOM 357 O ILE A 19 -9.269 4.639 -3.873 1.00 0.00 O ATOM 358 CB ILE A 19 -7.637 1.844 -4.357 1.00 0.00 C ATOM 359 CG1 ILE A 19 -6.626 1.100 -5.268 1.00 0.00 C ATOM 360 CG2 ILE A 19 -9.019 1.812 -5.037 1.00 0.00 C ATOM 361 CD1 ILE A 19 -5.386 0.545 -4.559 1.00 0.00 C ATOM 0 H ILE A 19 -5.641 2.451 -3.001 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.108 3.845 -4.978 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.643 1.325 -3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.143 0.275 -5.758 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.300 1.782 -6.053 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.291 0.780 -5.260 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.763 2.248 -4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.982 2.386 -5.963 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.745 0.044 -5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.836 1.363 -4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.693 -0.168 -3.794 1.00 0.00 H new ATOM 373 N MET A 20 -8.389 3.958 -1.938 1.00 0.00 N ATOM 374 CA MET A 20 -9.395 4.600 -1.079 1.00 0.00 C ATOM 375 C MET A 20 -9.289 6.136 -1.114 1.00 0.00 C ATOM 376 O MET A 20 -10.303 6.816 -1.283 1.00 0.00 O ATOM 377 CB MET A 20 -9.272 4.089 0.368 1.00 0.00 C ATOM 378 CG MET A 20 -9.436 2.567 0.506 1.00 0.00 C ATOM 379 SD MET A 20 -11.143 1.951 0.518 1.00 0.00 S ATOM 380 CE MET A 20 -11.665 2.546 2.153 1.00 0.00 C ATOM 0 H MET A 20 -7.676 3.453 -1.412 1.00 0.00 H new ATOM 0 HA MET A 20 -10.376 4.331 -1.471 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.298 4.377 0.763 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.024 4.583 0.983 1.00 0.00 H new ATOM 0 HG2 MET A 20 -8.903 2.088 -0.315 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.950 2.251 1.429 1.00 0.00 H new ATOM 0 HE1 MET A 20 -12.585 2.041 2.447 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.885 2.333 2.884 1.00 0.00 H new ATOM 0 HE3 MET A 20 -11.838 3.621 2.111 1.00 0.00 H new ATOM 390 N ILE A 21 -8.077 6.696 -0.970 1.00 0.00 N ATOM 391 CA ILE A 21 -7.835 8.154 -0.978 1.00 0.00 C ATOM 392 C ILE A 21 -8.077 8.789 -2.359 1.00 0.00 C ATOM 393 O ILE A 21 -8.646 9.880 -2.437 1.00 0.00 O ATOM 394 CB ILE A 21 -6.449 8.506 -0.385 1.00 0.00 C ATOM 395 CG1 ILE A 21 -6.281 10.035 -0.232 1.00 0.00 C ATOM 396 CG2 ILE A 21 -5.272 7.932 -1.190 1.00 0.00 C ATOM 397 CD1 ILE A 21 -5.241 10.427 0.827 1.00 0.00 C ATOM 0 H ILE A 21 -7.227 6.147 -0.843 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.579 8.603 -0.319 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.424 8.034 0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.990 10.460 -1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.243 10.475 0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.333 8.219 -0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.347 6.845 -1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.300 8.325 -2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.172 11.513 0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.542 10.031 1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.270 10.016 0.553 1.00 0.00 H new ATOM 409 N VAL A 22 -7.706 8.110 -3.454 1.00 0.00 N ATOM 410 CA VAL A 22 -7.989 8.577 -4.828 1.00 0.00 C ATOM 411 C VAL A 22 -9.471 8.477 -5.206 1.00 0.00 C ATOM 412 O VAL A 22 -9.956 9.314 -5.965 1.00 0.00 O ATOM 413 CB VAL A 22 -7.166 7.821 -5.889 1.00 0.00 C ATOM 414 CG1 VAL A 22 -5.670 8.046 -5.713 1.00 0.00 C ATOM 415 CG2 VAL A 22 -7.468 6.329 -5.957 1.00 0.00 C ATOM 0 H VAL A 22 -7.203 7.224 -3.418 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.698 9.627 -4.821 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.480 8.248 -6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.126 7.496 -6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.449 9.109 -5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.363 7.694 -4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.850 5.867 -6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.251 5.869 -4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.520 6.181 -6.200 1.00 0.00 H new ATOM 425 N GLY A 23 -10.180 7.453 -4.719 1.00 0.00 N ATOM 426 CA GLY A 23 -11.519 7.040 -5.147 1.00 0.00 C ATOM 427 C GLY A 23 -11.657 6.942 -6.671 1.00 0.00 C ATOM 428 O GLY A 23 -11.310 5.923 -7.271 1.00 0.00 O ATOM 0 H GLY A 23 -9.814 6.858 -3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.754 6.072 -4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.252 7.752 -4.766 1.00 0.00 H new ATOM 432 N GLY A 24 -12.127 8.016 -7.308 1.00 0.00 N ATOM 433 CA GLY A 24 -12.299 8.112 -8.762 1.00 0.00 C ATOM 434 C GLY A 24 -10.997 8.249 -9.566 1.00 0.00 C ATOM 435 O GLY A 24 -10.971 7.857 -10.735 1.00 0.00 O ATOM 0 H GLY A 24 -12.406 8.865 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.830 7.225 -9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.935 8.970 -8.981 1.00 0.00 H new ATOM 439 N LEU A 25 -9.903 8.760 -8.974 1.00 0.00 N ATOM 440 CA LEU A 25 -8.621 8.943 -9.688 1.00 0.00 C ATOM 441 C LEU A 25 -7.811 7.634 -9.840 1.00 0.00 C ATOM 442 O LEU A 25 -6.735 7.652 -10.434 1.00 0.00 O ATOM 443 CB LEU A 25 -7.745 10.071 -9.083 1.00 0.00 C ATOM 444 CG LEU A 25 -8.451 11.295 -8.473 1.00 0.00 C ATOM 445 CD1 LEU A 25 -7.414 12.273 -7.920 1.00 0.00 C ATOM 446 CD2 LEU A 25 -9.322 12.042 -9.485 1.00 0.00 C ATOM 0 H LEU A 25 -9.879 9.056 -7.998 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.908 9.257 -10.691 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.120 9.627 -8.308 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.076 10.429 -9.866 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.097 10.916 -7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.921 13.137 -7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.822 11.779 -7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.758 12.602 -8.726 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.795 12.895 -8.998 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.702 12.392 -10.310 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.091 11.371 -9.868 1.00 0.00 H new ATOM 458 N VAL A 26 -8.313 6.494 -9.337 1.00 0.00 N ATOM 459 CA VAL A 26 -7.651 5.166 -9.311 1.00 0.00 C ATOM 460 C VAL A 26 -7.076 4.698 -10.656 1.00 0.00 C ATOM 461 O VAL A 26 -6.064 3.997 -10.697 1.00 0.00 O ATOM 462 CB VAL A 26 -8.618 4.110 -8.732 1.00 0.00 C ATOM 463 CG1 VAL A 26 -9.837 3.826 -9.619 1.00 0.00 C ATOM 464 CG2 VAL A 26 -7.910 2.791 -8.424 1.00 0.00 C ATOM 0 H VAL A 26 -9.241 6.466 -8.914 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.781 5.283 -8.665 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.981 4.558 -7.807 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.466 3.074 -9.143 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.409 4.744 -9.756 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.503 3.458 -10.589 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.628 2.078 -8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.476 2.388 -9.339 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.120 2.964 -7.694 1.00 0.00 H new ATOM 474 N LYS A 27 -7.696 5.122 -11.762 1.00 0.00 N ATOM 475 CA LYS A 27 -7.260 4.879 -13.146 1.00 0.00 C ATOM 476 C LYS A 27 -5.821 5.357 -13.434 1.00 0.00 C ATOM 477 O LYS A 27 -5.113 4.720 -14.218 1.00 0.00 O ATOM 478 CB LYS A 27 -8.290 5.542 -14.073 1.00 0.00 C ATOM 479 CG LYS A 27 -8.132 5.065 -15.523 1.00 0.00 C ATOM 480 CD LYS A 27 -9.026 5.862 -16.479 1.00 0.00 C ATOM 481 CE LYS A 27 -10.488 5.399 -16.417 1.00 0.00 C ATOM 482 NZ LYS A 27 -11.384 6.325 -17.158 1.00 0.00 N ATOM 0 H LYS A 27 -8.555 5.669 -11.717 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.219 3.805 -13.325 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.296 5.314 -13.722 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.175 6.625 -14.031 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.091 5.166 -15.828 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.382 4.006 -15.588 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.970 6.922 -16.229 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.654 5.754 -17.498 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.571 4.397 -16.837 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.807 5.337 -15.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.364 5.983 -17.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.322 7.276 -16.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.094 6.365 -18.156 1.00 0.00 H new ATOM 496 N LYS A 28 -5.394 6.468 -12.819 1.00 0.00 N ATOM 497 CA LYS A 28 -4.087 7.130 -13.009 1.00 0.00 C ATOM 498 C LYS A 28 -2.921 6.333 -12.401 1.00 0.00 C ATOM 499 O LYS A 28 -1.953 6.049 -13.144 1.00 0.00 O ATOM 500 CB LYS A 28 -4.147 8.559 -12.434 1.00 0.00 C ATOM 501 CG LYS A 28 -5.101 9.490 -13.205 1.00 0.00 C ATOM 502 CD LYS A 28 -4.451 10.052 -14.478 1.00 0.00 C ATOM 503 CE LYS A 28 -5.484 10.811 -15.320 1.00 0.00 C ATOM 504 NZ LYS A 28 -4.842 11.544 -16.443 1.00 0.00 N ATOM 505 OXT LYS A 28 -2.957 6.016 -11.190 1.00 0.00 O ATOM 0 H LYS A 28 -5.977 6.958 -12.140 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.890 7.177 -14.080 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.463 8.510 -11.392 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.145 8.989 -12.444 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.006 8.943 -13.471 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.405 10.314 -12.559 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.631 10.718 -14.211 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.023 9.239 -15.064 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.218 10.109 -15.715 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.024 11.515 -14.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.570 12.046 -16.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.159 12.231 -16.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.348 10.869 -17.061 1.00 0.00 H new TER 519 LYS A 28