USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=4 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+ 150:sc= 0.0163 (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) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0285 K(o=-0.028,f=-1.1) 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 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 0.379 (180deg=0.347) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.209 7.744 -9.918 1.00 0.00 N ATOM 2 CA LYS A 1 -12.907 7.565 -11.368 1.00 0.00 C ATOM 3 C LYS A 1 -12.407 6.147 -11.666 1.00 0.00 C ATOM 4 O LYS A 1 -11.808 5.507 -10.798 1.00 0.00 O ATOM 5 CB LYS A 1 -11.906 8.635 -11.875 1.00 0.00 C ATOM 6 CG LYS A 1 -12.590 9.635 -12.826 1.00 0.00 C ATOM 7 CD LYS A 1 -11.992 11.046 -12.709 1.00 0.00 C ATOM 8 CE LYS A 1 -12.684 11.995 -13.697 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.629 13.407 -13.231 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.048 8.736 -9.650 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.202 7.493 -9.737 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.588 7.128 -9.355 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.840 7.704 -11.914 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -11.481 9.170 -11.026 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -11.079 8.147 -12.391 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -12.491 9.284 -13.853 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.656 9.674 -12.604 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.112 11.417 -11.691 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.922 11.014 -12.912 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.207 11.915 -14.674 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -13.724 11.694 -13.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.106 14.020 -13.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -13.106 13.488 -12.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -11.636 13.702 -13.134 1.00 0.00 H new ATOM 25 N LYS A 2 -12.634 5.658 -12.893 1.00 0.00 N ATOM 26 CA LYS A 2 -12.168 4.359 -13.422 1.00 0.00 C ATOM 27 C LYS A 2 -11.640 4.508 -14.855 1.00 0.00 C ATOM 28 O LYS A 2 -12.386 4.918 -15.747 1.00 0.00 O ATOM 29 CB LYS A 2 -13.302 3.312 -13.358 1.00 0.00 C ATOM 30 CG LYS A 2 -13.407 2.668 -11.965 1.00 0.00 C ATOM 31 CD LYS A 2 -14.376 1.474 -11.912 1.00 0.00 C ATOM 32 CE LYS A 2 -15.846 1.912 -11.860 1.00 0.00 C ATOM 33 NZ LYS A 2 -16.751 0.744 -11.688 1.00 0.00 N ATOM 0 H LYS A 2 -13.175 6.181 -13.582 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.345 4.011 -12.798 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.250 3.787 -13.611 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.124 2.537 -14.104 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.417 2.337 -11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.733 3.422 -11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.219 0.844 -12.787 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.150 0.866 -11.036 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.991 2.611 -11.037 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.103 2.442 -12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.738 1.071 -11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.629 0.089 -12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.520 0.254 -10.800 1.00 0.00 H new ATOM 47 N LYS A 3 -10.359 4.176 -15.065 1.00 0.00 N ATOM 48 CA LYS A 3 -9.670 4.149 -16.374 1.00 0.00 C ATOM 49 C LYS A 3 -9.125 2.753 -16.688 1.00 0.00 C ATOM 50 O LYS A 3 -9.619 2.093 -17.604 1.00 0.00 O ATOM 51 CB LYS A 3 -8.571 5.227 -16.450 1.00 0.00 C ATOM 52 CG LYS A 3 -9.123 6.664 -16.424 1.00 0.00 C ATOM 53 CD LYS A 3 -8.690 7.429 -15.167 1.00 0.00 C ATOM 54 CE LYS A 3 -9.288 8.843 -15.183 1.00 0.00 C ATOM 55 NZ LYS A 3 -8.406 9.823 -14.496 1.00 0.00 N ATOM 0 H LYS A 3 -9.743 3.906 -14.298 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.406 4.386 -17.143 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.884 5.094 -15.615 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.994 5.084 -17.364 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.780 7.199 -17.309 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -10.212 6.634 -16.472 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.019 6.896 -14.275 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.602 7.485 -15.122 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.448 9.158 -16.214 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -10.264 8.830 -14.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.844 10.766 -14.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.274 9.536 -13.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.483 9.854 -14.974 1.00 0.00 H new ATOM 69 N ASN A 4 -8.141 2.291 -15.912 1.00 0.00 N ATOM 70 CA ASN A 4 -7.525 0.963 -16.010 1.00 0.00 C ATOM 71 C ASN A 4 -7.265 0.363 -14.618 1.00 0.00 C ATOM 72 O ASN A 4 -7.049 1.088 -13.643 1.00 0.00 O ATOM 73 CB ASN A 4 -6.205 1.082 -16.800 1.00 0.00 C ATOM 74 CG ASN A 4 -6.422 1.333 -18.283 1.00 0.00 C ATOM 75 OD1 ASN A 4 -6.397 2.459 -18.762 1.00 0.00 O ATOM 76 ND2 ASN A 4 -6.633 0.294 -19.061 1.00 0.00 N ATOM 0 H ASN A 4 -7.734 2.855 -15.166 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.209 0.293 -16.530 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.610 1.894 -16.383 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.628 0.166 -16.673 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.776 0.427 -20.062 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.654 -0.645 -18.663 1.00 0.00 H new ATOM 83 N TRP A 5 -7.199 -0.970 -14.543 1.00 0.00 N ATOM 84 CA TRP A 5 -6.864 -1.724 -13.324 1.00 0.00 C ATOM 85 C TRP A 5 -5.489 -1.355 -12.740 1.00 0.00 C ATOM 86 O TRP A 5 -5.311 -1.424 -11.524 1.00 0.00 O ATOM 87 CB TRP A 5 -6.942 -3.228 -13.613 1.00 0.00 C ATOM 88 CG TRP A 5 -5.836 -3.780 -14.465 1.00 0.00 C ATOM 89 CD1 TRP A 5 -5.750 -3.689 -15.813 1.00 0.00 C ATOM 90 CD2 TRP A 5 -4.638 -4.502 -14.035 1.00 0.00 C ATOM 91 NE1 TRP A 5 -4.581 -4.288 -16.242 1.00 0.00 N ATOM 92 CE2 TRP A 5 -3.864 -4.816 -15.190 1.00 0.00 C ATOM 93 CE3 TRP A 5 -4.132 -4.932 -12.787 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -2.655 -5.524 -15.117 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -2.920 -5.644 -12.701 1.00 0.00 C ATOM 96 CH2 TRP A 5 -2.180 -5.940 -13.861 1.00 0.00 C ATOM 0 H TRP A 5 -7.381 -1.572 -15.346 1.00 0.00 H new ATOM 0 HA TRP A 5 -7.597 -1.451 -12.565 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -6.947 -3.763 -12.663 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -7.893 -3.438 -14.102 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -6.482 -3.221 -16.454 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -4.285 -4.334 -17.217 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -4.684 -4.711 -11.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -2.096 -5.747 -16.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -2.555 -5.966 -11.737 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.250 -6.485 -13.786 1.00 0.00 H new ATOM 107 N PHE A 6 -4.543 -0.915 -13.579 1.00 0.00 N ATOM 108 CA PHE A 6 -3.219 -0.429 -13.178 1.00 0.00 C ATOM 109 C PHE A 6 -3.305 0.719 -12.153 1.00 0.00 C ATOM 110 O PHE A 6 -2.599 0.702 -11.146 1.00 0.00 O ATOM 111 CB PHE A 6 -2.423 0.009 -14.418 1.00 0.00 C ATOM 112 CG PHE A 6 -1.879 -1.132 -15.260 1.00 0.00 C ATOM 113 CD1 PHE A 6 -0.789 -1.888 -14.785 1.00 0.00 C ATOM 114 CD2 PHE A 6 -2.420 -1.414 -16.530 1.00 0.00 C ATOM 115 CE1 PHE A 6 -0.242 -2.917 -15.573 1.00 0.00 C ATOM 116 CE2 PHE A 6 -1.870 -2.443 -17.319 1.00 0.00 C ATOM 117 CZ PHE A 6 -0.781 -3.192 -16.842 1.00 0.00 C ATOM 0 H PHE A 6 -4.684 -0.887 -14.589 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.699 -1.252 -12.688 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.064 0.630 -15.043 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.590 0.634 -14.096 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.372 -1.677 -13.812 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.257 -0.840 -16.899 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.592 -3.496 -15.203 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.286 -2.657 -18.292 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.358 -3.978 -17.450 1.00 0.00 H new ATOM 127 N ASP A 7 -4.196 1.693 -12.365 1.00 0.00 N ATOM 128 CA ASP A 7 -4.418 2.795 -11.418 1.00 0.00 C ATOM 129 C ASP A 7 -5.048 2.298 -10.104 1.00 0.00 C ATOM 130 O ASP A 7 -4.650 2.737 -9.024 1.00 0.00 O ATOM 131 CB ASP A 7 -5.288 3.891 -12.060 1.00 0.00 C ATOM 132 CG ASP A 7 -4.489 4.888 -12.924 1.00 0.00 C ATOM 133 OD1 ASP A 7 -3.519 4.489 -13.613 1.00 0.00 O ATOM 134 OD2 ASP A 7 -4.843 6.091 -12.923 1.00 0.00 O ATOM 0 H ASP A 7 -4.784 1.741 -13.197 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.445 3.221 -11.172 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.053 3.420 -12.677 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.806 4.439 -11.273 1.00 0.00 H new ATOM 139 N ILE A 8 -5.994 1.354 -10.176 1.00 0.00 N ATOM 140 CA ILE A 8 -6.642 0.749 -9.001 1.00 0.00 C ATOM 141 C ILE A 8 -5.627 -0.020 -8.133 1.00 0.00 C ATOM 142 O ILE A 8 -5.532 0.223 -6.927 1.00 0.00 O ATOM 143 CB ILE A 8 -7.842 -0.135 -9.426 1.00 0.00 C ATOM 144 CG1 ILE A 8 -8.866 0.602 -10.324 1.00 0.00 C ATOM 145 CG2 ILE A 8 -8.551 -0.722 -8.192 1.00 0.00 C ATOM 146 CD1 ILE A 8 -9.434 1.910 -9.754 1.00 0.00 C ATOM 0 H ILE A 8 -6.337 0.983 -11.062 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.038 1.552 -8.380 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.421 -0.941 -10.027 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.391 0.820 -11.281 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.696 -0.075 -10.527 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.390 -1.339 -8.514 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.848 -1.332 -7.625 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.917 0.089 -7.563 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.140 2.340 -10.465 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.946 1.705 -8.814 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.621 2.614 -9.579 1.00 0.00 H new ATOM 158 N THR A 9 -4.836 -0.923 -8.726 1.00 0.00 N ATOM 159 CA THR A 9 -3.815 -1.707 -8.005 1.00 0.00 C ATOM 160 C THR A 9 -2.658 -0.846 -7.469 1.00 0.00 C ATOM 161 O THR A 9 -2.116 -1.145 -6.403 1.00 0.00 O ATOM 162 CB THR A 9 -3.321 -2.902 -8.843 1.00 0.00 C ATOM 163 OG1 THR A 9 -2.592 -3.814 -8.047 1.00 0.00 O ATOM 164 CG2 THR A 9 -2.425 -2.525 -10.018 1.00 0.00 C ATOM 0 H THR A 9 -4.883 -1.134 -9.723 1.00 0.00 H new ATOM 0 HA THR A 9 -4.306 -2.114 -7.121 1.00 0.00 H new ATOM 0 HB THR A 9 -4.237 -3.343 -9.237 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.291 -4.564 -8.601 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.125 -3.427 -10.551 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.970 -1.868 -10.695 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.538 -2.010 -9.649 1.00 0.00 H new ATOM 172 N ASN A 10 -2.320 0.275 -8.129 1.00 0.00 N ATOM 173 CA ASN A 10 -1.303 1.220 -7.639 1.00 0.00 C ATOM 174 C ASN A 10 -1.668 1.771 -6.246 1.00 0.00 C ATOM 175 O ASN A 10 -0.810 1.822 -5.361 1.00 0.00 O ATOM 176 CB ASN A 10 -1.090 2.363 -8.654 1.00 0.00 C ATOM 177 CG ASN A 10 -0.161 2.018 -9.813 1.00 0.00 C ATOM 178 OD1 ASN A 10 0.563 1.031 -9.819 1.00 0.00 O ATOM 179 ND2 ASN A 10 -0.105 2.864 -10.819 1.00 0.00 N ATOM 0 H ASN A 10 -2.743 0.551 -9.015 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.363 0.677 -7.535 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.059 2.658 -9.057 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -0.687 3.228 -8.128 1.00 0.00 H new ATOM 0 HD21 ASN A 10 0.537 2.694 -11.593 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.704 3.690 -10.825 1.00 0.00 H new ATOM 186 N TRP A 11 -2.935 2.143 -6.024 1.00 0.00 N ATOM 187 CA TRP A 11 -3.422 2.582 -4.707 1.00 0.00 C ATOM 188 C TRP A 11 -3.465 1.444 -3.679 1.00 0.00 C ATOM 189 O TRP A 11 -3.200 1.670 -2.499 1.00 0.00 O ATOM 190 CB TRP A 11 -4.809 3.221 -4.841 1.00 0.00 C ATOM 191 CG TRP A 11 -4.841 4.489 -5.637 1.00 0.00 C ATOM 192 CD1 TRP A 11 -5.565 4.694 -6.760 1.00 0.00 C ATOM 193 CD2 TRP A 11 -4.108 5.731 -5.397 1.00 0.00 C ATOM 194 NE1 TRP A 11 -5.330 5.970 -7.235 1.00 0.00 N ATOM 195 CE2 TRP A 11 -4.431 6.650 -6.441 1.00 0.00 C ATOM 196 CE3 TRP A 11 -3.196 6.175 -4.411 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -3.872 7.935 -6.511 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -2.627 7.462 -4.474 1.00 0.00 C ATOM 199 CH2 TRP A 11 -2.961 8.341 -5.521 1.00 0.00 C ATOM 0 H TRP A 11 -3.651 2.149 -6.750 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.710 3.320 -4.337 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -5.483 2.500 -5.305 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.198 3.425 -3.843 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.226 3.971 -7.216 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.767 6.361 -8.070 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.932 5.517 -3.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.139 8.604 -7.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -1.929 7.777 -3.713 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.518 9.325 -5.564 1.00 0.00 H new ATOM 210 N LEU A 12 -3.744 0.212 -4.113 1.00 0.00 N ATOM 211 CA LEU A 12 -3.749 -0.987 -3.265 1.00 0.00 C ATOM 212 C LEU A 12 -2.368 -1.251 -2.627 1.00 0.00 C ATOM 213 O LEU A 12 -2.279 -1.643 -1.462 1.00 0.00 O ATOM 214 CB LEU A 12 -4.279 -2.170 -4.103 1.00 0.00 C ATOM 215 CG LEU A 12 -5.224 -3.111 -3.331 1.00 0.00 C ATOM 216 CD1 LEU A 12 -6.194 -3.779 -4.310 1.00 0.00 C ATOM 217 CD2 LEU A 12 -4.475 -4.208 -2.574 1.00 0.00 C ATOM 0 H LEU A 12 -3.978 0.014 -5.086 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.416 -0.842 -2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.805 -1.778 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.432 -2.747 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.755 -2.498 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.862 -4.444 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.781 -3.015 -4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.631 -4.354 -5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.190 -4.841 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.905 -4.813 -3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.795 -3.754 -1.854 1.00 0.00 H new ATOM 229 N TRP A 13 -1.284 -0.953 -3.353 1.00 0.00 N ATOM 230 CA TRP A 13 0.095 -1.052 -2.857 1.00 0.00 C ATOM 231 C TRP A 13 0.400 -0.104 -1.680 1.00 0.00 C ATOM 232 O TRP A 13 1.184 -0.459 -0.802 1.00 0.00 O ATOM 233 CB TRP A 13 1.085 -0.840 -4.018 1.00 0.00 C ATOM 234 CG TRP A 13 2.285 -1.742 -4.004 1.00 0.00 C ATOM 235 CD1 TRP A 13 2.230 -3.095 -4.020 1.00 0.00 C ATOM 236 CD2 TRP A 13 3.710 -1.400 -4.025 1.00 0.00 C ATOM 237 NE1 TRP A 13 3.511 -3.614 -4.038 1.00 0.00 N ATOM 238 CE2 TRP A 13 4.460 -2.616 -4.057 1.00 0.00 C ATOM 239 CE3 TRP A 13 4.448 -0.195 -4.041 1.00 0.00 C ATOM 240 CZ2 TRP A 13 5.863 -2.638 -4.109 1.00 0.00 C ATOM 241 CZ3 TRP A 13 5.858 -0.205 -4.094 1.00 0.00 C ATOM 242 CH2 TRP A 13 6.566 -1.421 -4.130 1.00 0.00 C ATOM 0 H TRP A 13 -1.341 -0.630 -4.319 1.00 0.00 H new ATOM 0 HA TRP A 13 0.216 -2.058 -2.455 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.554 -0.983 -4.959 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.427 0.195 -3.999 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.322 -3.680 -4.019 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.726 -4.611 -4.037 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.924 0.749 -4.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.395 -3.578 -4.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.399 0.729 -4.107 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.645 -1.419 -4.174 1.00 0.00 H new ATOM 253 N TYR A 14 -0.260 1.059 -1.595 1.00 0.00 N ATOM 254 CA TYR A 14 -0.126 2.009 -0.476 1.00 0.00 C ATOM 255 C TYR A 14 -0.489 1.366 0.876 1.00 0.00 C ATOM 256 O TYR A 14 0.214 1.549 1.872 1.00 0.00 O ATOM 257 CB TYR A 14 -1.003 3.243 -0.748 1.00 0.00 C ATOM 258 CG TYR A 14 -0.757 4.426 0.171 1.00 0.00 C ATOM 259 CD1 TYR A 14 -1.402 4.500 1.423 1.00 0.00 C ATOM 260 CD2 TYR A 14 0.092 5.473 -0.242 1.00 0.00 C ATOM 261 CE1 TYR A 14 -1.192 5.609 2.266 1.00 0.00 C ATOM 262 CE2 TYR A 14 0.299 6.587 0.595 1.00 0.00 C ATOM 263 CZ TYR A 14 -0.341 6.658 1.852 1.00 0.00 C ATOM 264 OH TYR A 14 -0.136 7.741 2.654 1.00 0.00 O ATOM 0 H TYR A 14 -0.913 1.374 -2.312 1.00 0.00 H new ATOM 0 HA TYR A 14 0.919 2.312 -0.408 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.842 3.563 -1.777 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.050 2.950 -0.665 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.060 3.703 1.737 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.585 5.421 -1.202 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.681 5.657 3.228 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.948 7.388 0.275 1.00 0.00 H new ATOM 0 HH TYR A 14 0.478 8.364 2.212 1.00 0.00 H new ATOM 274 N ILE A 15 -1.560 0.563 0.904 1.00 0.00 N ATOM 275 CA ILE A 15 -1.986 -0.202 2.087 1.00 0.00 C ATOM 276 C ILE A 15 -0.925 -1.252 2.469 1.00 0.00 C ATOM 277 O ILE A 15 -0.598 -1.401 3.647 1.00 0.00 O ATOM 278 CB ILE A 15 -3.377 -0.835 1.844 1.00 0.00 C ATOM 279 CG1 ILE A 15 -4.466 0.227 1.527 1.00 0.00 C ATOM 280 CG2 ILE A 15 -3.845 -1.645 3.066 1.00 0.00 C ATOM 281 CD1 ILE A 15 -5.258 -0.093 0.254 1.00 0.00 C ATOM 0 H ILE A 15 -2.165 0.423 0.095 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.080 0.477 2.935 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.254 -1.489 0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.154 0.297 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.994 1.203 1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.825 -2.076 2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.132 -2.444 3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.910 -0.989 3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.004 0.684 0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.578 -0.135 -0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.756 -1.056 0.368 1.00 0.00 H new ATOM 293 N LYS A 16 -0.331 -1.949 1.487 1.00 0.00 N ATOM 294 CA LYS A 16 0.769 -2.911 1.707 1.00 0.00 C ATOM 295 C LYS A 16 2.043 -2.260 2.261 1.00 0.00 C ATOM 296 O LYS A 16 2.678 -2.839 3.142 1.00 0.00 O ATOM 297 CB LYS A 16 1.063 -3.704 0.414 1.00 0.00 C ATOM 298 CG LYS A 16 0.278 -5.026 0.355 1.00 0.00 C ATOM 299 CD LYS A 16 0.912 -6.101 1.258 1.00 0.00 C ATOM 300 CE LYS A 16 -0.062 -7.252 1.552 1.00 0.00 C ATOM 301 NZ LYS A 16 -0.003 -8.323 0.523 1.00 0.00 N ATOM 0 H LYS A 16 -0.601 -1.862 0.507 1.00 0.00 H new ATOM 0 HA LYS A 16 0.428 -3.604 2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.808 -3.093 -0.452 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.131 -3.914 0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.753 -4.852 0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.246 -5.386 -0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.807 -6.497 0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.229 -5.646 2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.168 -7.678 2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.078 -6.860 1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.678 -9.076 0.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.248 -7.925 -0.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.958 -8.718 0.488 1.00 0.00 H new ATOM 315 N LEU A 17 2.397 -1.052 1.813 1.00 0.00 N ATOM 316 CA LEU A 17 3.536 -0.293 2.352 1.00 0.00 C ATOM 317 C LEU A 17 3.389 0.008 3.854 1.00 0.00 C ATOM 318 O LEU A 17 4.368 -0.104 4.588 1.00 0.00 O ATOM 319 CB LEU A 17 3.755 1.011 1.562 1.00 0.00 C ATOM 320 CG LEU A 17 4.262 0.832 0.118 1.00 0.00 C ATOM 321 CD1 LEU A 17 4.348 2.201 -0.557 1.00 0.00 C ATOM 322 CD2 LEU A 17 5.647 0.181 0.057 1.00 0.00 C ATOM 0 H LEU A 17 1.902 -0.569 1.064 1.00 0.00 H new ATOM 0 HA LEU A 17 4.414 -0.928 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.814 1.561 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.469 1.630 2.106 1.00 0.00 H new ATOM 0 HG LEU A 17 3.556 0.176 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.706 2.081 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.361 2.663 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.038 2.837 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.955 0.079 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.366 0.804 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.607 -0.804 0.522 1.00 0.00 H new ATOM 334 N PHE A 18 2.181 0.315 4.341 1.00 0.00 N ATOM 335 CA PHE A 18 1.922 0.513 5.775 1.00 0.00 C ATOM 336 C PHE A 18 2.338 -0.707 6.619 1.00 0.00 C ATOM 337 O PHE A 18 2.966 -0.545 7.666 1.00 0.00 O ATOM 338 CB PHE A 18 0.443 0.864 5.989 1.00 0.00 C ATOM 339 CG PHE A 18 0.091 1.257 7.412 1.00 0.00 C ATOM 340 CD1 PHE A 18 0.166 2.605 7.813 1.00 0.00 C ATOM 341 CD2 PHE A 18 -0.326 0.278 8.336 1.00 0.00 C ATOM 342 CE1 PHE A 18 -0.179 2.973 9.127 1.00 0.00 C ATOM 343 CE2 PHE A 18 -0.673 0.647 9.649 1.00 0.00 C ATOM 344 CZ PHE A 18 -0.602 1.995 10.043 1.00 0.00 C ATOM 0 H PHE A 18 1.355 0.433 3.754 1.00 0.00 H new ATOM 0 HA PHE A 18 2.538 1.344 6.118 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.177 1.684 5.322 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.166 0.008 5.700 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.489 3.359 7.110 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.379 -0.758 8.036 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.119 4.007 9.431 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.994 -0.105 10.354 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.873 2.279 11.049 1.00 0.00 H new ATOM 354 N ILE A 19 2.056 -1.928 6.144 1.00 0.00 N ATOM 355 CA ILE A 19 2.453 -3.186 6.804 1.00 0.00 C ATOM 356 C ILE A 19 3.981 -3.299 6.918 1.00 0.00 C ATOM 357 O ILE A 19 4.492 -3.722 7.952 1.00 0.00 O ATOM 358 CB ILE A 19 1.869 -4.428 6.082 1.00 0.00 C ATOM 359 CG1 ILE A 19 0.343 -4.301 5.857 1.00 0.00 C ATOM 360 CG2 ILE A 19 2.213 -5.700 6.885 1.00 0.00 C ATOM 361 CD1 ILE A 19 -0.263 -5.450 5.041 1.00 0.00 C ATOM 0 H ILE A 19 1.538 -2.075 5.278 1.00 0.00 H new ATOM 0 HA ILE A 19 2.035 -3.160 7.810 1.00 0.00 H new ATOM 0 HB ILE A 19 2.323 -4.497 5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.155 -4.255 6.826 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.138 -3.359 5.348 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.802 -6.573 6.377 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.296 -5.800 6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.784 -5.626 7.884 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.335 -5.289 4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.206 -5.485 4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.091 -6.394 5.558 1.00 0.00 H new ATOM 373 N MET A 20 4.724 -2.889 5.885 1.00 0.00 N ATOM 374 CA MET A 20 6.194 -2.883 5.875 1.00 0.00 C ATOM 375 C MET A 20 6.767 -1.838 6.849 1.00 0.00 C ATOM 376 O MET A 20 7.671 -2.148 7.627 1.00 0.00 O ATOM 377 CB MET A 20 6.710 -2.627 4.447 1.00 0.00 C ATOM 378 CG MET A 20 6.266 -3.708 3.446 1.00 0.00 C ATOM 379 SD MET A 20 7.496 -4.996 3.102 1.00 0.00 S ATOM 380 CE MET A 20 8.464 -4.143 1.824 1.00 0.00 C ATOM 0 H MET A 20 4.315 -2.545 5.016 1.00 0.00 H new ATOM 0 HA MET A 20 6.535 -3.863 6.210 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.353 -1.655 4.106 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.799 -2.579 4.463 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.362 -4.184 3.827 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.999 -3.223 2.507 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.274 -4.790 1.489 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.819 -3.902 0.979 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.881 -3.224 2.236 1.00 0.00 H new ATOM 390 N ILE A 21 6.227 -0.611 6.835 1.00 0.00 N ATOM 391 CA ILE A 21 6.654 0.504 7.698 1.00 0.00 C ATOM 392 C ILE A 21 6.405 0.167 9.177 1.00 0.00 C ATOM 393 O ILE A 21 7.338 0.165 9.982 1.00 0.00 O ATOM 394 CB ILE A 21 5.920 1.806 7.280 1.00 0.00 C ATOM 395 CG1 ILE A 21 6.306 2.247 5.848 1.00 0.00 C ATOM 396 CG2 ILE A 21 6.227 2.950 8.264 1.00 0.00 C ATOM 397 CD1 ILE A 21 5.311 3.247 5.239 1.00 0.00 C ATOM 0 H ILE A 21 5.463 -0.358 6.209 1.00 0.00 H new ATOM 0 HA ILE A 21 7.725 0.663 7.574 1.00 0.00 H new ATOM 0 HB ILE A 21 4.852 1.587 7.300 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.299 2.697 5.867 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.367 1.368 5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.701 3.851 7.949 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.898 2.668 9.264 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.300 3.141 8.276 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.636 3.518 4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.322 2.792 5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.268 4.142 5.860 1.00 0.00 H new ATOM 409 N VAL A 22 5.170 -0.195 9.541 1.00 0.00 N ATOM 410 CA VAL A 22 4.818 -0.577 10.919 1.00 0.00 C ATOM 411 C VAL A 22 5.471 -1.898 11.311 1.00 0.00 C ATOM 412 O VAL A 22 5.887 -2.039 12.455 1.00 0.00 O ATOM 413 CB VAL A 22 3.295 -0.619 11.131 1.00 0.00 C ATOM 414 CG1 VAL A 22 2.912 -0.981 12.573 1.00 0.00 C ATOM 415 CG2 VAL A 22 2.698 0.768 10.849 1.00 0.00 C ATOM 0 H VAL A 22 4.385 -0.232 8.891 1.00 0.00 H new ATOM 0 HA VAL A 22 5.212 0.196 11.579 1.00 0.00 H new ATOM 0 HB VAL A 22 2.909 -1.381 10.453 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.826 -0.997 12.668 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.312 -1.964 12.820 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.325 -0.239 13.256 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.619 0.737 10.999 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.138 1.498 11.528 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.913 1.054 9.819 1.00 0.00 H new ATOM 425 N GLY A 23 5.671 -2.834 10.380 1.00 0.00 N ATOM 426 CA GLY A 23 6.320 -4.122 10.647 1.00 0.00 C ATOM 427 C GLY A 23 7.731 -4.015 11.252 1.00 0.00 C ATOM 428 O GLY A 23 8.171 -4.938 11.942 1.00 0.00 O ATOM 0 H GLY A 23 5.384 -2.718 9.408 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.691 -4.697 11.326 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.380 -4.684 9.715 1.00 0.00 H new ATOM 432 N GLY A 24 8.427 -2.891 11.030 1.00 0.00 N ATOM 433 CA GLY A 24 9.738 -2.573 11.613 1.00 0.00 C ATOM 434 C GLY A 24 9.697 -1.492 12.706 1.00 0.00 C ATOM 435 O GLY A 24 10.556 -1.489 13.589 1.00 0.00 O ATOM 0 H GLY A 24 8.080 -2.152 10.418 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.166 -3.483 12.034 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.407 -2.244 10.817 1.00 0.00 H new ATOM 439 N LEU A 25 8.700 -0.595 12.692 1.00 0.00 N ATOM 440 CA LEU A 25 8.521 0.462 13.702 1.00 0.00 C ATOM 441 C LEU A 25 7.699 0.029 14.932 1.00 0.00 C ATOM 442 O LEU A 25 7.804 0.667 15.978 1.00 0.00 O ATOM 443 CB LEU A 25 7.881 1.703 13.052 1.00 0.00 C ATOM 444 CG LEU A 25 8.752 2.422 12.005 1.00 0.00 C ATOM 445 CD1 LEU A 25 7.972 3.613 11.447 1.00 0.00 C ATOM 446 CD2 LEU A 25 10.065 2.958 12.583 1.00 0.00 C ATOM 0 H LEU A 25 7.983 -0.582 11.967 1.00 0.00 H new ATOM 0 HA LEU A 25 9.518 0.694 14.075 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.946 1.403 12.578 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.626 2.414 13.838 1.00 0.00 H new ATOM 0 HG LEU A 25 8.994 1.688 11.237 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.579 4.130 10.704 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.052 3.259 10.981 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.728 4.300 12.257 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.634 3.454 11.796 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.848 3.671 13.378 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.649 2.131 12.987 1.00 0.00 H new ATOM 458 N VAL A 26 6.912 -1.050 14.855 1.00 0.00 N ATOM 459 CA VAL A 26 6.130 -1.594 15.983 1.00 0.00 C ATOM 460 C VAL A 26 7.030 -2.154 17.092 1.00 0.00 C ATOM 461 O VAL A 26 6.738 -1.984 18.278 1.00 0.00 O ATOM 462 CB VAL A 26 5.110 -2.645 15.488 1.00 0.00 C ATOM 463 CG1 VAL A 26 5.730 -3.969 15.015 1.00 0.00 C ATOM 464 CG2 VAL A 26 4.043 -2.952 16.541 1.00 0.00 C ATOM 0 H VAL A 26 6.795 -1.583 13.993 1.00 0.00 H new ATOM 0 HA VAL A 26 5.572 -0.768 16.424 1.00 0.00 H new ATOM 0 HB VAL A 26 4.656 -2.170 14.618 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.940 -4.644 14.686 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.411 -3.776 14.186 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.280 -4.427 15.837 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.348 -3.695 16.149 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.521 -3.340 17.441 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.499 -2.039 16.784 1.00 0.00 H new ATOM 474 N LYS A 27 8.148 -2.789 16.709 1.00 0.00 N ATOM 475 CA LYS A 27 9.133 -3.390 17.624 1.00 0.00 C ATOM 476 C LYS A 27 10.141 -2.379 18.202 1.00 0.00 C ATOM 477 O LYS A 27 10.575 -2.566 19.339 1.00 0.00 O ATOM 478 CB LYS A 27 9.791 -4.613 16.945 1.00 0.00 C ATOM 479 CG LYS A 27 10.665 -4.356 15.700 1.00 0.00 C ATOM 480 CD LYS A 27 12.131 -4.046 16.037 1.00 0.00 C ATOM 481 CE LYS A 27 12.960 -3.801 14.771 1.00 0.00 C ATOM 482 NZ LYS A 27 14.291 -3.231 15.107 1.00 0.00 N ATOM 0 H LYS A 27 8.400 -2.902 15.727 1.00 0.00 H new ATOM 0 HA LYS A 27 8.602 -3.743 18.508 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.407 -5.119 17.689 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.999 -5.306 16.662 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.626 -5.231 15.051 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.245 -3.523 15.136 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.179 -3.167 16.680 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.560 -4.876 16.599 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.088 -4.738 14.229 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.426 -3.120 14.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.771 -2.933 14.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.169 -2.409 15.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.865 -3.951 15.590 1.00 0.00 H new ATOM 496 N LYS A 28 10.453 -1.316 17.438 1.00 0.00 N ATOM 497 CA LYS A 28 11.527 -0.303 17.603 1.00 0.00 C ATOM 498 C LYS A 28 12.943 -0.866 17.844 1.00 0.00 C ATOM 499 O LYS A 28 13.768 -0.761 16.907 1.00 0.00 O ATOM 500 CB LYS A 28 11.126 0.796 18.609 1.00 0.00 C ATOM 501 CG LYS A 28 10.021 1.707 18.047 1.00 0.00 C ATOM 502 CD LYS A 28 9.939 3.059 18.771 1.00 0.00 C ATOM 503 CE LYS A 28 8.982 4.012 18.036 1.00 0.00 C ATOM 504 NZ LYS A 28 9.705 5.109 17.334 1.00 0.00 N ATOM 505 OXT LYS A 28 13.236 -1.416 18.929 1.00 0.00 O ATOM 0 H LYS A 28 9.905 -1.120 16.600 1.00 0.00 H new ATOM 0 HA LYS A 28 11.618 0.167 16.624 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.781 0.334 19.534 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.000 1.397 18.859 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.203 1.879 16.986 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.061 1.198 18.128 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.596 2.909 19.795 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.931 3.506 18.830 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.394 3.447 17.313 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.280 4.442 18.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.019 5.725 16.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.246 5.666 18.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.356 4.702 16.632 1.00 0.00 H new TER 519 LYS A 28