USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=2 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= 0.103 X(o=0.1,f=-0.0085) USER MOD Single : A 9 THR OG1 : rot -69:sc= 0.101 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 180:sc= 0 (180deg=0) 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 -14.886 9.682 -17.957 1.00 0.00 N ATOM 2 CA LYS A 1 -13.931 8.702 -18.546 1.00 0.00 C ATOM 3 C LYS A 1 -13.730 7.516 -17.594 1.00 0.00 C ATOM 4 O LYS A 1 -13.353 7.720 -16.437 1.00 0.00 O ATOM 5 CB LYS A 1 -12.573 9.363 -18.885 1.00 0.00 C ATOM 6 CG LYS A 1 -11.900 8.675 -20.085 1.00 0.00 C ATOM 7 CD LYS A 1 -10.400 9.007 -20.162 1.00 0.00 C ATOM 8 CE LYS A 1 -9.768 8.564 -21.492 1.00 0.00 C ATOM 9 NZ LYS A 1 -9.779 7.087 -21.672 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.013 10.480 -18.612 1.00 0.00 H new ATOM 0 H2 LYS A 1 -15.803 9.219 -17.794 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.510 10.033 -17.053 1.00 0.00 H new ATOM 0 HA LYS A 1 -14.361 8.337 -19.479 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -12.726 10.419 -19.107 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -11.915 9.312 -18.018 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -12.030 7.596 -20.006 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -12.390 8.989 -21.007 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.262 10.081 -20.037 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.880 8.521 -19.336 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.306 9.030 -22.318 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.740 8.923 -21.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -9.341 6.845 -22.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -9.243 6.639 -20.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.760 6.743 -21.657 1.00 0.00 H new ATOM 25 N LYS A 2 -13.988 6.277 -18.041 1.00 0.00 N ATOM 26 CA LYS A 2 -13.811 5.052 -17.232 1.00 0.00 C ATOM 27 C LYS A 2 -12.330 4.825 -16.878 1.00 0.00 C ATOM 28 O LYS A 2 -11.477 4.802 -17.770 1.00 0.00 O ATOM 29 CB LYS A 2 -14.399 3.838 -17.985 1.00 0.00 C ATOM 30 CG LYS A 2 -14.767 2.671 -17.047 1.00 0.00 C ATOM 31 CD LYS A 2 -16.257 2.628 -16.659 1.00 0.00 C ATOM 32 CE LYS A 2 -16.745 3.902 -15.952 1.00 0.00 C ATOM 33 NZ LYS A 2 -18.175 3.796 -15.557 1.00 0.00 N ATOM 0 H LYS A 2 -14.329 6.091 -18.984 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.350 5.174 -16.293 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.288 4.152 -18.532 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.677 3.490 -18.723 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.500 1.731 -17.531 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.167 2.744 -16.140 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.853 2.470 -17.557 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.430 1.772 -16.007 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.135 4.084 -15.067 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.612 4.759 -16.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.470 4.673 -15.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.759 3.647 -16.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.297 2.993 -14.907 1.00 0.00 H new ATOM 47 N LYS A 3 -12.019 4.689 -15.583 1.00 0.00 N ATOM 48 CA LYS A 3 -10.665 4.393 -15.071 1.00 0.00 C ATOM 49 C LYS A 3 -10.242 2.943 -15.355 1.00 0.00 C ATOM 50 O LYS A 3 -11.053 2.109 -15.765 1.00 0.00 O ATOM 51 CB LYS A 3 -10.588 4.722 -13.560 1.00 0.00 C ATOM 52 CG LYS A 3 -10.836 6.210 -13.245 1.00 0.00 C ATOM 53 CD LYS A 3 -9.718 7.146 -13.748 1.00 0.00 C ATOM 54 CE LYS A 3 -10.277 8.406 -14.424 1.00 0.00 C ATOM 55 NZ LYS A 3 -10.847 9.368 -13.444 1.00 0.00 N ATOM 0 H LYS A 3 -12.713 4.783 -14.842 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.957 5.028 -15.603 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.322 4.118 -13.026 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.606 4.437 -13.183 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -11.782 6.514 -13.694 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -10.941 6.331 -12.167 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.085 7.436 -12.910 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -9.086 6.607 -14.454 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.483 8.894 -14.989 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -11.048 8.120 -15.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.211 10.202 -13.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.622 8.913 -12.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.106 9.663 -12.776 1.00 0.00 H new ATOM 69 N ASN A 4 -8.966 2.644 -15.112 1.00 0.00 N ATOM 70 CA ASN A 4 -8.341 1.328 -15.291 1.00 0.00 C ATOM 71 C ASN A 4 -7.829 0.748 -13.960 1.00 0.00 C ATOM 72 O ASN A 4 -7.406 1.495 -13.074 1.00 0.00 O ATOM 73 CB ASN A 4 -7.227 1.436 -16.362 1.00 0.00 C ATOM 74 CG ASN A 4 -6.241 2.595 -16.214 1.00 0.00 C ATOM 75 OD1 ASN A 4 -5.865 3.235 -17.183 1.00 0.00 O ATOM 76 ND2 ASN A 4 -5.777 2.912 -15.025 1.00 0.00 N ATOM 0 H ASN A 4 -8.307 3.343 -14.769 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.091 0.621 -15.645 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.660 0.505 -16.358 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.702 1.516 -17.340 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.115 3.681 -14.924 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.080 2.389 -14.203 1.00 0.00 H new ATOM 83 N TRP A 5 -7.773 -0.584 -13.852 1.00 0.00 N ATOM 84 CA TRP A 5 -7.311 -1.332 -12.666 1.00 0.00 C ATOM 85 C TRP A 5 -5.913 -0.918 -12.165 1.00 0.00 C ATOM 86 O TRP A 5 -5.626 -1.002 -10.970 1.00 0.00 O ATOM 87 CB TRP A 5 -7.373 -2.836 -12.970 1.00 0.00 C ATOM 88 CG TRP A 5 -6.339 -3.346 -13.933 1.00 0.00 C ATOM 89 CD1 TRP A 5 -6.362 -3.204 -15.279 1.00 0.00 C ATOM 90 CD2 TRP A 5 -5.112 -4.080 -13.631 1.00 0.00 C ATOM 91 NE1 TRP A 5 -5.223 -3.770 -15.824 1.00 0.00 N ATOM 92 CE2 TRP A 5 -4.415 -4.320 -14.851 1.00 0.00 C ATOM 93 CE3 TRP A 5 -4.521 -4.572 -12.448 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -3.186 -4.995 -14.896 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -3.288 -5.255 -12.479 1.00 0.00 C ATOM 96 CH2 TRP A 5 -2.618 -5.460 -13.698 1.00 0.00 C ATOM 0 H TRP A 5 -8.058 -1.199 -14.614 1.00 0.00 H new ATOM 0 HA TRP A 5 -7.983 -1.084 -11.845 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -7.271 -3.383 -12.032 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -8.361 -3.068 -13.369 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -7.149 -2.723 -15.841 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -5.008 -3.779 -16.821 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -5.022 -4.423 -11.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -2.683 -5.155 -15.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -2.855 -5.623 -11.560 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.668 -5.974 -13.713 1.00 0.00 H new ATOM 107 N PHE A 6 -5.063 -0.401 -13.059 1.00 0.00 N ATOM 108 CA PHE A 6 -3.731 0.147 -12.766 1.00 0.00 C ATOM 109 C PHE A 6 -3.755 1.316 -11.754 1.00 0.00 C ATOM 110 O PHE A 6 -2.759 1.570 -11.077 1.00 0.00 O ATOM 111 CB PHE A 6 -3.071 0.589 -14.086 1.00 0.00 C ATOM 112 CG PHE A 6 -1.883 -0.260 -14.490 1.00 0.00 C ATOM 113 CD1 PHE A 6 -0.593 0.079 -14.038 1.00 0.00 C ATOM 114 CD2 PHE A 6 -2.060 -1.387 -15.317 1.00 0.00 C ATOM 115 CE1 PHE A 6 0.516 -0.696 -14.420 1.00 0.00 C ATOM 116 CE2 PHE A 6 -0.949 -2.161 -15.699 1.00 0.00 C ATOM 117 CZ PHE A 6 0.339 -1.815 -15.254 1.00 0.00 C ATOM 0 H PHE A 6 -5.294 -0.350 -14.051 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.149 -0.643 -12.292 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.815 0.558 -14.882 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -2.749 1.626 -13.991 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.455 0.937 -13.396 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.049 -1.657 -15.658 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.504 -0.432 -14.073 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.086 -3.023 -16.335 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.191 -2.407 -15.552 1.00 0.00 H new ATOM 127 N ASP A 7 -4.883 2.027 -11.628 1.00 0.00 N ATOM 128 CA ASP A 7 -5.095 3.093 -10.641 1.00 0.00 C ATOM 129 C ASP A 7 -5.505 2.519 -9.271 1.00 0.00 C ATOM 130 O ASP A 7 -4.979 2.930 -8.236 1.00 0.00 O ATOM 131 CB ASP A 7 -6.164 4.061 -11.165 1.00 0.00 C ATOM 132 CG ASP A 7 -6.317 5.285 -10.246 1.00 0.00 C ATOM 133 OD1 ASP A 7 -5.462 6.200 -10.314 1.00 0.00 O ATOM 134 OD2 ASP A 7 -7.298 5.343 -9.467 1.00 0.00 O ATOM 0 H ASP A 7 -5.695 1.872 -12.226 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.157 3.629 -10.498 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.897 4.390 -12.169 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.119 3.542 -11.243 1.00 0.00 H new ATOM 139 N ILE A 8 -6.400 1.525 -9.263 1.00 0.00 N ATOM 140 CA ILE A 8 -6.864 0.818 -8.057 1.00 0.00 C ATOM 141 C ILE A 8 -5.700 0.088 -7.369 1.00 0.00 C ATOM 142 O ILE A 8 -5.511 0.210 -6.155 1.00 0.00 O ATOM 143 CB ILE A 8 -8.014 -0.158 -8.409 1.00 0.00 C ATOM 144 CG1 ILE A 8 -9.171 0.507 -9.195 1.00 0.00 C ATOM 145 CG2 ILE A 8 -8.561 -0.844 -7.145 1.00 0.00 C ATOM 146 CD1 ILE A 8 -9.818 1.723 -8.515 1.00 0.00 C ATOM 0 H ILE A 8 -6.836 1.178 -10.118 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.252 1.554 -7.353 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.575 -0.906 -9.069 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.794 0.815 -10.170 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.943 -0.241 -9.374 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.367 -1.524 -7.420 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.762 -1.406 -6.661 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.942 -0.089 -6.457 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.615 2.112 -9.148 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.232 1.424 -7.552 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.066 2.497 -8.361 1.00 0.00 H new ATOM 158 N THR A 9 -4.881 -0.631 -8.142 1.00 0.00 N ATOM 159 CA THR A 9 -3.665 -1.294 -7.635 1.00 0.00 C ATOM 160 C THR A 9 -2.643 -0.312 -7.062 1.00 0.00 C ATOM 161 O THR A 9 -1.943 -0.662 -6.114 1.00 0.00 O ATOM 162 CB THR A 9 -2.972 -2.171 -8.685 1.00 0.00 C ATOM 163 OG1 THR A 9 -2.701 -1.447 -9.862 1.00 0.00 O ATOM 164 CG2 THR A 9 -3.818 -3.383 -9.066 1.00 0.00 C ATOM 0 H THR A 9 -5.038 -0.773 -9.140 1.00 0.00 H new ATOM 0 HA THR A 9 -4.029 -1.934 -6.831 1.00 0.00 H new ATOM 0 HB THR A 9 -2.041 -2.505 -8.227 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.543 -1.238 -10.319 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.289 -3.976 -9.812 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.000 -3.992 -8.181 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.770 -3.047 -9.478 1.00 0.00 H new ATOM 172 N ASN A 10 -2.589 0.930 -7.557 1.00 0.00 N ATOM 173 CA ASN A 10 -1.718 1.989 -7.034 1.00 0.00 C ATOM 174 C ASN A 10 -2.024 2.299 -5.553 1.00 0.00 C ATOM 175 O ASN A 10 -1.108 2.396 -4.734 1.00 0.00 O ATOM 176 CB ASN A 10 -1.839 3.237 -7.931 1.00 0.00 C ATOM 177 CG ASN A 10 -0.493 3.897 -8.159 1.00 0.00 C ATOM 178 OD1 ASN A 10 -0.088 4.817 -7.463 1.00 0.00 O ATOM 179 ND2 ASN A 10 0.245 3.438 -9.147 1.00 0.00 N ATOM 0 H ASN A 10 -3.160 1.233 -8.346 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.684 1.646 -7.059 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.273 2.955 -8.890 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.521 3.951 -7.470 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.159 3.850 -9.335 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.097 2.670 -9.725 1.00 0.00 H new ATOM 186 N TRP A 11 -3.311 2.408 -5.199 1.00 0.00 N ATOM 187 CA TRP A 11 -3.773 2.596 -3.817 1.00 0.00 C ATOM 188 C TRP A 11 -3.582 1.327 -2.970 1.00 0.00 C ATOM 189 O TRP A 11 -3.103 1.412 -1.838 1.00 0.00 O ATOM 190 CB TRP A 11 -5.241 3.041 -3.807 1.00 0.00 C ATOM 191 CG TRP A 11 -5.480 4.416 -4.356 1.00 0.00 C ATOM 192 CD1 TRP A 11 -5.963 4.702 -5.587 1.00 0.00 C ATOM 193 CD2 TRP A 11 -5.242 5.706 -3.710 1.00 0.00 C ATOM 194 NE1 TRP A 11 -6.030 6.072 -5.753 1.00 0.00 N ATOM 195 CE2 TRP A 11 -5.599 6.742 -4.626 1.00 0.00 C ATOM 196 CE3 TRP A 11 -4.762 6.109 -2.443 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -5.483 8.103 -4.305 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -4.643 7.473 -2.110 1.00 0.00 C ATOM 199 CH2 TRP A 11 -5.001 8.469 -3.037 1.00 0.00 C ATOM 0 H TRP A 11 -4.073 2.367 -5.876 1.00 0.00 H new ATOM 0 HA TRP A 11 -3.162 3.378 -3.365 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -5.828 2.326 -4.384 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.611 3.004 -2.783 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.252 3.971 -6.327 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.357 6.531 -6.603 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -4.482 5.359 -1.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -5.761 8.860 -5.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.274 7.756 -1.135 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.906 9.512 -2.775 1.00 0.00 H new ATOM 210 N LEU A 12 -3.896 0.143 -3.513 1.00 0.00 N ATOM 211 CA LEU A 12 -3.669 -1.145 -2.834 1.00 0.00 C ATOM 212 C LEU A 12 -2.188 -1.415 -2.511 1.00 0.00 C ATOM 213 O LEU A 12 -1.893 -2.061 -1.506 1.00 0.00 O ATOM 214 CB LEU A 12 -4.261 -2.294 -3.671 1.00 0.00 C ATOM 215 CG LEU A 12 -5.786 -2.449 -3.523 1.00 0.00 C ATOM 216 CD1 LEU A 12 -6.331 -3.335 -4.644 1.00 0.00 C ATOM 217 CD2 LEU A 12 -6.153 -3.107 -2.189 1.00 0.00 C ATOM 0 H LEU A 12 -4.316 0.049 -4.438 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.181 -1.088 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.022 -2.126 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.780 -3.228 -3.380 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.220 -1.450 -3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.410 -3.440 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.108 -2.879 -5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.863 -4.318 -4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.236 -3.202 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.698 -4.096 -2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.786 -2.492 -1.367 1.00 0.00 H new ATOM 229 N TRP A 13 -1.244 -0.888 -3.298 1.00 0.00 N ATOM 230 CA TRP A 13 0.199 -1.023 -3.049 1.00 0.00 C ATOM 231 C TRP A 13 0.631 -0.428 -1.694 1.00 0.00 C ATOM 232 O TRP A 13 1.520 -0.967 -1.030 1.00 0.00 O ATOM 233 CB TRP A 13 0.987 -0.397 -4.212 1.00 0.00 C ATOM 234 CG TRP A 13 2.267 -1.096 -4.555 1.00 0.00 C ATOM 235 CD1 TRP A 13 2.345 -2.254 -5.252 1.00 0.00 C ATOM 236 CD2 TRP A 13 3.645 -0.710 -4.258 1.00 0.00 C ATOM 237 NE1 TRP A 13 3.670 -2.619 -5.398 1.00 0.00 N ATOM 238 CE2 TRP A 13 4.514 -1.705 -4.803 1.00 0.00 C ATOM 239 CE3 TRP A 13 4.255 0.376 -3.592 1.00 0.00 C ATOM 240 CZ2 TRP A 13 5.911 -1.633 -4.685 1.00 0.00 C ATOM 241 CZ3 TRP A 13 5.657 0.460 -3.472 1.00 0.00 C ATOM 242 CH2 TRP A 13 6.484 -0.541 -4.012 1.00 0.00 C ATOM 0 H TRP A 13 -1.461 -0.349 -4.136 1.00 0.00 H new ATOM 0 HA TRP A 13 0.426 -2.088 -2.993 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.350 -0.382 -5.096 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.212 0.640 -3.963 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.501 -2.808 -5.635 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.984 -3.459 -5.885 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.638 1.154 -3.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.537 -2.406 -5.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.100 1.301 -2.960 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.557 -0.470 -3.910 1.00 0.00 H new ATOM 253 N TYR A 14 -0.034 0.641 -1.236 1.00 0.00 N ATOM 254 CA TYR A 14 0.219 1.264 0.069 1.00 0.00 C ATOM 255 C TYR A 14 -0.161 0.362 1.263 1.00 0.00 C ATOM 256 O TYR A 14 0.460 0.443 2.325 1.00 0.00 O ATOM 257 CB TYR A 14 -0.504 2.616 0.146 1.00 0.00 C ATOM 258 CG TYR A 14 -0.343 3.315 1.485 1.00 0.00 C ATOM 259 CD1 TYR A 14 0.920 3.797 1.884 1.00 0.00 C ATOM 260 CD2 TYR A 14 -1.445 3.422 2.358 1.00 0.00 C ATOM 261 CE1 TYR A 14 1.084 4.373 3.159 1.00 0.00 C ATOM 262 CE2 TYR A 14 -1.286 4.003 3.630 1.00 0.00 C ATOM 263 CZ TYR A 14 -0.018 4.475 4.037 1.00 0.00 C ATOM 264 OH TYR A 14 0.150 5.027 5.271 1.00 0.00 O ATOM 0 H TYR A 14 -0.772 1.103 -1.768 1.00 0.00 H new ATOM 0 HA TYR A 14 1.295 1.419 0.148 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.125 3.267 -0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.565 2.463 -0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.762 3.725 1.212 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.414 3.057 2.050 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.053 4.737 3.466 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.133 4.088 4.295 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.705 5.024 5.750 1.00 0.00 H new ATOM 274 N ILE A 15 -1.120 -0.557 1.093 1.00 0.00 N ATOM 275 CA ILE A 15 -1.510 -1.529 2.130 1.00 0.00 C ATOM 276 C ILE A 15 -0.323 -2.425 2.521 1.00 0.00 C ATOM 277 O ILE A 15 -0.118 -2.702 3.704 1.00 0.00 O ATOM 278 CB ILE A 15 -2.733 -2.364 1.680 1.00 0.00 C ATOM 279 CG1 ILE A 15 -3.922 -1.497 1.196 1.00 0.00 C ATOM 280 CG2 ILE A 15 -3.203 -3.322 2.790 1.00 0.00 C ATOM 281 CD1 ILE A 15 -4.433 -0.448 2.192 1.00 0.00 C ATOM 0 H ILE A 15 -1.652 -0.650 0.228 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.806 -0.973 3.019 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.388 -2.947 0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.625 -0.986 0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.749 -2.159 0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.063 -3.892 2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.394 -4.006 3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.485 -2.747 3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.265 0.100 1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.769 -0.944 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.629 0.247 2.433 1.00 0.00 H new ATOM 293 N LYS A 16 0.507 -2.835 1.548 1.00 0.00 N ATOM 294 CA LYS A 16 1.732 -3.611 1.813 1.00 0.00 C ATOM 295 C LYS A 16 2.859 -2.753 2.414 1.00 0.00 C ATOM 296 O LYS A 16 3.648 -3.262 3.209 1.00 0.00 O ATOM 297 CB LYS A 16 2.144 -4.393 0.546 1.00 0.00 C ATOM 298 CG LYS A 16 2.805 -5.751 0.874 1.00 0.00 C ATOM 299 CD LYS A 16 4.326 -5.773 0.666 1.00 0.00 C ATOM 300 CE LYS A 16 4.698 -6.012 -0.806 1.00 0.00 C ATOM 301 NZ LYS A 16 4.762 -7.463 -1.141 1.00 0.00 N ATOM 0 H LYS A 16 0.350 -2.640 0.559 1.00 0.00 H new ATOM 0 HA LYS A 16 1.518 -4.346 2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.264 -4.562 -0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.836 -3.789 -0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.587 -6.008 1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.353 -6.523 0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.752 -4.827 0.999 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.766 -6.556 1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.965 -5.524 -1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.663 -5.549 -1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.016 -7.577 -2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.480 -7.925 -0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.835 -7.901 -0.967 1.00 0.00 H new ATOM 315 N LEU A 17 2.909 -1.449 2.113 1.00 0.00 N ATOM 316 CA LEU A 17 3.871 -0.502 2.707 1.00 0.00 C ATOM 317 C LEU A 17 3.674 -0.371 4.222 1.00 0.00 C ATOM 318 O LEU A 17 4.659 -0.336 4.958 1.00 0.00 O ATOM 319 CB LEU A 17 3.775 0.886 2.039 1.00 0.00 C ATOM 320 CG LEU A 17 4.922 1.241 1.082 1.00 0.00 C ATOM 321 CD1 LEU A 17 6.272 1.368 1.792 1.00 0.00 C ATOM 322 CD2 LEU A 17 5.042 0.244 -0.065 1.00 0.00 C ATOM 0 H LEU A 17 2.276 -1.013 1.442 1.00 0.00 H new ATOM 0 HA LEU A 17 4.867 -0.907 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.836 0.940 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.730 1.644 2.821 1.00 0.00 H new ATOM 0 HG LEU A 17 4.662 2.218 0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.043 1.620 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.214 2.153 2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.521 0.422 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.866 0.536 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.231 -0.751 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.114 0.234 -0.637 1.00 0.00 H new ATOM 334 N PHE A 18 2.423 -0.349 4.700 1.00 0.00 N ATOM 335 CA PHE A 18 2.103 -0.334 6.134 1.00 0.00 C ATOM 336 C PHE A 18 2.780 -1.496 6.877 1.00 0.00 C ATOM 337 O PHE A 18 3.405 -1.282 7.915 1.00 0.00 O ATOM 338 CB PHE A 18 0.579 -0.359 6.323 1.00 0.00 C ATOM 339 CG PHE A 18 0.132 -0.373 7.774 1.00 0.00 C ATOM 340 CD1 PHE A 18 -0.038 0.836 8.475 1.00 0.00 C ATOM 341 CD2 PHE A 18 -0.109 -1.598 8.431 1.00 0.00 C ATOM 342 CE1 PHE A 18 -0.460 0.823 9.817 1.00 0.00 C ATOM 343 CE2 PHE A 18 -0.521 -1.611 9.777 1.00 0.00 C ATOM 344 CZ PHE A 18 -0.708 -0.400 10.466 1.00 0.00 C ATOM 0 H PHE A 18 1.599 -0.341 4.099 1.00 0.00 H new ATOM 0 HA PHE A 18 2.495 0.586 6.568 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.149 0.513 5.830 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.176 -1.239 5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.156 1.777 7.981 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.023 -2.529 7.900 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.594 1.753 10.349 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.693 -2.551 10.280 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.042 -0.409 11.493 1.00 0.00 H new ATOM 354 N ILE A 19 2.722 -2.713 6.321 1.00 0.00 N ATOM 355 CA ILE A 19 3.401 -3.902 6.864 1.00 0.00 C ATOM 356 C ILE A 19 4.919 -3.677 6.948 1.00 0.00 C ATOM 357 O ILE A 19 5.524 -3.997 7.970 1.00 0.00 O ATOM 358 CB ILE A 19 3.049 -5.175 6.053 1.00 0.00 C ATOM 359 CG1 ILE A 19 1.522 -5.438 6.064 1.00 0.00 C ATOM 360 CG2 ILE A 19 3.793 -6.401 6.620 1.00 0.00 C ATOM 361 CD1 ILE A 19 1.063 -6.475 5.031 1.00 0.00 C ATOM 0 H ILE A 19 2.195 -2.905 5.469 1.00 0.00 H new ATOM 0 HA ILE A 19 3.038 -4.062 7.879 1.00 0.00 H new ATOM 0 HB ILE A 19 3.365 -5.011 5.023 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.228 -5.775 7.058 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.000 -4.499 5.879 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.533 -7.285 6.038 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.868 -6.232 6.564 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.504 -6.553 7.660 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.017 -6.604 5.100 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.324 -6.132 4.030 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.556 -7.427 5.228 1.00 0.00 H new ATOM 373 N MET A 20 5.546 -3.095 5.917 1.00 0.00 N ATOM 374 CA MET A 20 6.989 -2.798 5.924 1.00 0.00 C ATOM 375 C MET A 20 7.379 -1.721 6.956 1.00 0.00 C ATOM 376 O MET A 20 8.401 -1.864 7.629 1.00 0.00 O ATOM 377 CB MET A 20 7.492 -2.430 4.515 1.00 0.00 C ATOM 378 CG MET A 20 7.157 -3.526 3.489 1.00 0.00 C ATOM 379 SD MET A 20 8.314 -3.740 2.104 1.00 0.00 S ATOM 380 CE MET A 20 8.213 -2.124 1.288 1.00 0.00 C ATOM 0 H MET A 20 5.072 -2.817 5.058 1.00 0.00 H new ATOM 0 HA MET A 20 7.488 -3.716 6.236 1.00 0.00 H new ATOM 0 HB2 MET A 20 7.042 -1.488 4.202 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.570 -2.274 4.542 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.084 -4.476 4.019 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.170 -3.314 3.077 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.873 -2.113 0.420 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.187 -1.942 0.967 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.518 -1.344 1.986 1.00 0.00 H new ATOM 390 N ILE A 21 6.565 -0.670 7.124 1.00 0.00 N ATOM 391 CA ILE A 21 6.776 0.401 8.117 1.00 0.00 C ATOM 392 C ILE A 21 6.624 -0.140 9.549 1.00 0.00 C ATOM 393 O ILE A 21 7.548 -0.035 10.359 1.00 0.00 O ATOM 394 CB ILE A 21 5.798 1.574 7.848 1.00 0.00 C ATOM 395 CG1 ILE A 21 6.106 2.273 6.502 1.00 0.00 C ATOM 396 CG2 ILE A 21 5.854 2.614 8.984 1.00 0.00 C ATOM 397 CD1 ILE A 21 4.908 3.058 5.945 1.00 0.00 C ATOM 0 H ILE A 21 5.723 -0.535 6.564 1.00 0.00 H new ATOM 0 HA ILE A 21 7.795 0.776 8.018 1.00 0.00 H new ATOM 0 HB ILE A 21 4.797 1.146 7.801 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.948 2.952 6.636 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.414 1.524 5.772 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.158 3.425 8.769 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.578 2.139 9.926 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.865 3.014 9.062 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.187 3.525 5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.072 2.378 5.781 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.614 3.828 6.658 1.00 0.00 H new ATOM 409 N VAL A 22 5.490 -0.778 9.863 1.00 0.00 N ATOM 410 CA VAL A 22 5.220 -1.357 11.192 1.00 0.00 C ATOM 411 C VAL A 22 6.177 -2.502 11.500 1.00 0.00 C ATOM 412 O VAL A 22 6.618 -2.626 12.637 1.00 0.00 O ATOM 413 CB VAL A 22 3.757 -1.817 11.323 1.00 0.00 C ATOM 414 CG1 VAL A 22 3.443 -2.440 12.691 1.00 0.00 C ATOM 415 CG2 VAL A 22 2.820 -0.609 11.174 1.00 0.00 C ATOM 0 H VAL A 22 4.726 -0.910 9.200 1.00 0.00 H new ATOM 0 HA VAL A 22 5.387 -0.570 11.927 1.00 0.00 H new ATOM 0 HB VAL A 22 3.607 -2.564 10.544 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.397 -2.744 12.721 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.079 -3.311 12.849 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.631 -1.707 13.476 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.785 -0.938 11.267 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.040 0.121 11.953 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.969 -0.152 10.196 1.00 0.00 H new ATOM 425 N GLY A 23 6.596 -3.278 10.497 1.00 0.00 N ATOM 426 CA GLY A 23 7.572 -4.358 10.655 1.00 0.00 C ATOM 427 C GLY A 23 8.915 -3.913 11.264 1.00 0.00 C ATOM 428 O GLY A 23 9.613 -4.729 11.869 1.00 0.00 O ATOM 0 H GLY A 23 6.262 -3.172 9.539 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.139 -5.134 11.286 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.760 -4.808 9.680 1.00 0.00 H new ATOM 432 N GLY A 24 9.264 -2.623 11.141 1.00 0.00 N ATOM 433 CA GLY A 24 10.448 -1.999 11.744 1.00 0.00 C ATOM 434 C GLY A 24 10.144 -1.113 12.964 1.00 0.00 C ATOM 435 O GLY A 24 11.025 -0.928 13.805 1.00 0.00 O ATOM 0 H GLY A 24 8.707 -1.963 10.598 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.145 -2.782 12.043 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.951 -1.396 10.988 1.00 0.00 H new ATOM 439 N LEU A 25 8.921 -0.581 13.097 1.00 0.00 N ATOM 440 CA LEU A 25 8.504 0.269 14.224 1.00 0.00 C ATOM 441 C LEU A 25 7.871 -0.494 15.405 1.00 0.00 C ATOM 442 O LEU A 25 7.909 0.001 16.529 1.00 0.00 O ATOM 443 CB LEU A 25 7.545 1.370 13.730 1.00 0.00 C ATOM 444 CG LEU A 25 8.174 2.424 12.798 1.00 0.00 C ATOM 445 CD1 LEU A 25 7.110 3.456 12.420 1.00 0.00 C ATOM 446 CD2 LEU A 25 9.335 3.180 13.452 1.00 0.00 C ATOM 0 H LEU A 25 8.180 -0.731 12.413 1.00 0.00 H new ATOM 0 HA LEU A 25 9.422 0.707 14.616 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.714 0.897 13.207 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.127 1.880 14.598 1.00 0.00 H new ATOM 0 HG LEU A 25 8.557 1.888 11.930 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.548 4.205 11.760 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.286 2.959 11.908 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.736 3.941 13.322 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.737 3.908 12.748 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.977 3.696 14.343 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.117 2.474 13.731 1.00 0.00 H new ATOM 458 N VAL A 26 7.334 -1.703 15.199 1.00 0.00 N ATOM 459 CA VAL A 26 6.700 -2.530 16.250 1.00 0.00 C ATOM 460 C VAL A 26 7.676 -2.912 17.377 1.00 0.00 C ATOM 461 O VAL A 26 7.279 -3.041 18.537 1.00 0.00 O ATOM 462 CB VAL A 26 6.031 -3.773 15.619 1.00 0.00 C ATOM 463 CG1 VAL A 26 7.031 -4.837 15.142 1.00 0.00 C ATOM 464 CG2 VAL A 26 4.997 -4.418 16.546 1.00 0.00 C ATOM 0 H VAL A 26 7.325 -2.148 14.281 1.00 0.00 H new ATOM 0 HA VAL A 26 5.927 -1.925 16.724 1.00 0.00 H new ATOM 0 HB VAL A 26 5.519 -3.385 14.738 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.489 -5.679 14.711 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.690 -4.405 14.388 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.625 -5.183 15.988 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.558 -5.286 16.054 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.482 -4.732 17.470 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.213 -3.696 16.775 1.00 0.00 H new ATOM 474 N LYS A 27 8.970 -3.050 17.044 1.00 0.00 N ATOM 475 CA LYS A 27 10.083 -3.370 17.958 1.00 0.00 C ATOM 476 C LYS A 27 10.774 -2.143 18.582 1.00 0.00 C ATOM 477 O LYS A 27 11.549 -2.301 19.529 1.00 0.00 O ATOM 478 CB LYS A 27 11.085 -4.275 17.212 1.00 0.00 C ATOM 479 CG LYS A 27 11.822 -3.596 16.036 1.00 0.00 C ATOM 480 CD LYS A 27 13.255 -3.128 16.345 1.00 0.00 C ATOM 481 CE LYS A 27 14.199 -4.324 16.543 1.00 0.00 C ATOM 482 NZ LYS A 27 15.628 -3.909 16.546 1.00 0.00 N ATOM 0 H LYS A 27 9.286 -2.936 16.081 1.00 0.00 H new ATOM 0 HA LYS A 27 9.661 -3.894 18.815 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.825 -4.638 17.925 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.553 -5.147 16.833 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.857 -4.293 15.199 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.238 -2.735 15.710 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.620 -2.504 15.529 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.253 -2.510 17.243 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.963 -4.820 17.484 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.034 -5.052 15.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.232 -4.745 16.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.860 -3.458 15.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.792 -3.234 17.320 1.00 0.00 H new ATOM 496 N LYS A 28 10.520 -0.939 18.053 1.00 0.00 N ATOM 497 CA LYS A 28 11.050 0.361 18.515 1.00 0.00 C ATOM 498 C LYS A 28 10.211 0.983 19.648 1.00 0.00 C ATOM 499 O LYS A 28 9.077 0.519 19.916 1.00 0.00 O ATOM 500 CB LYS A 28 11.168 1.314 17.305 1.00 0.00 C ATOM 501 CG LYS A 28 12.328 0.958 16.356 1.00 0.00 C ATOM 502 CD LYS A 28 13.679 1.467 16.882 1.00 0.00 C ATOM 503 CE LYS A 28 14.824 1.030 15.960 1.00 0.00 C ATOM 504 NZ LYS A 28 16.141 1.512 16.459 1.00 0.00 N ATOM 505 OXT LYS A 28 10.710 1.934 20.292 1.00 0.00 O ATOM 0 H LYS A 28 9.905 -0.835 17.246 1.00 0.00 H new ATOM 0 HA LYS A 28 12.037 0.193 18.946 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.233 1.297 16.746 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.304 2.333 17.667 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.373 -0.124 16.228 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.137 1.387 15.373 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.660 2.554 16.954 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.850 1.084 17.888 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.838 -0.057 15.886 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.651 1.416 14.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.893 1.199 15.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.135 2.551 16.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.316 1.123 17.408 1.00 0.00 H new TER 519 LYS A 28