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+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00231) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0148) USER MOD Single : A 4 ASN : amide:sc= 0.684 K(o=0.68,f=-6!) USER MOD Single : A 9 THR OG1 : rot -92:sc= 0.157 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.46) 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 -16.113 7.472 -12.228 1.00 0.00 N ATOM 2 CA LYS A 1 -15.136 7.940 -13.257 1.00 0.00 C ATOM 3 C LYS A 1 -13.743 7.264 -13.162 1.00 0.00 C ATOM 4 O LYS A 1 -12.723 7.898 -13.451 1.00 0.00 O ATOM 5 CB LYS A 1 -15.046 9.493 -13.274 1.00 0.00 C ATOM 6 CG LYS A 1 -14.466 10.149 -11.998 1.00 0.00 C ATOM 7 CD LYS A 1 -15.513 10.806 -11.077 1.00 0.00 C ATOM 8 CE LYS A 1 -16.112 12.109 -11.636 1.00 0.00 C ATOM 9 NZ LYS A 1 -15.137 13.233 -11.619 1.00 0.00 N ATOM 0 H1 LYS A 1 -17.018 7.969 -12.357 1.00 0.00 H new ATOM 0 H2 LYS A 1 -16.262 6.448 -12.332 1.00 0.00 H new ATOM 0 H3 LYS A 1 -15.740 7.673 -11.278 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.530 7.615 -14.220 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -14.434 9.793 -14.124 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -16.045 9.894 -13.444 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -13.927 9.391 -11.430 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.737 10.904 -12.293 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.320 10.096 -10.897 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.052 11.015 -10.112 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -16.451 11.941 -12.658 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -16.989 12.383 -11.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -15.591 14.092 -11.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -14.819 13.402 -10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -14.318 12.991 -12.213 1.00 0.00 H new ATOM 25 N LYS A 2 -13.651 5.979 -12.774 1.00 0.00 N ATOM 26 CA LYS A 2 -12.381 5.214 -12.705 1.00 0.00 C ATOM 27 C LYS A 2 -11.760 5.017 -14.099 1.00 0.00 C ATOM 28 O LYS A 2 -12.487 4.765 -15.063 1.00 0.00 O ATOM 29 CB LYS A 2 -12.642 3.844 -12.047 1.00 0.00 C ATOM 30 CG LYS A 2 -12.798 3.938 -10.519 1.00 0.00 C ATOM 31 CD LYS A 2 -13.221 2.585 -9.917 1.00 0.00 C ATOM 32 CE LYS A 2 -12.827 2.427 -8.440 1.00 0.00 C ATOM 33 NZ LYS A 2 -13.467 3.435 -7.553 1.00 0.00 N ATOM 0 H LYS A 2 -14.464 5.431 -12.495 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.672 5.785 -12.105 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.545 3.407 -12.474 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.819 3.170 -12.283 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.856 4.258 -10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.541 4.697 -10.273 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.301 2.475 -10.011 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.767 1.780 -10.495 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.102 1.428 -8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.744 2.507 -8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.163 3.277 -6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.185 4.390 -7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.501 3.344 -7.614 1.00 0.00 H new ATOM 47 N LYS A 3 -10.423 5.096 -14.203 1.00 0.00 N ATOM 48 CA LYS A 3 -9.666 4.826 -15.445 1.00 0.00 C ATOM 49 C LYS A 3 -9.699 3.331 -15.796 1.00 0.00 C ATOM 50 O LYS A 3 -10.344 2.934 -16.767 1.00 0.00 O ATOM 51 CB LYS A 3 -8.210 5.341 -15.359 1.00 0.00 C ATOM 52 CG LYS A 3 -8.015 6.774 -15.883 1.00 0.00 C ATOM 53 CD LYS A 3 -8.289 7.869 -14.842 1.00 0.00 C ATOM 54 CE LYS A 3 -8.200 9.281 -15.447 1.00 0.00 C ATOM 55 NZ LYS A 3 -6.852 9.594 -16.000 1.00 0.00 N ATOM 0 H LYS A 3 -9.825 5.353 -13.417 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.157 5.377 -16.247 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.882 5.298 -14.320 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.565 4.669 -15.924 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.992 6.880 -16.245 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.673 6.929 -16.738 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.280 7.721 -14.414 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.572 7.779 -14.026 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.943 9.379 -16.239 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.452 10.015 -14.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.838 10.574 -16.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.136 9.481 -15.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.640 8.946 -16.785 1.00 0.00 H new ATOM 69 N ASN A 4 -8.985 2.511 -15.020 1.00 0.00 N ATOM 70 CA ASN A 4 -8.844 1.064 -15.213 1.00 0.00 C ATOM 71 C ASN A 4 -8.503 0.379 -13.875 1.00 0.00 C ATOM 72 O ASN A 4 -7.664 0.879 -13.123 1.00 0.00 O ATOM 73 CB ASN A 4 -7.732 0.838 -16.264 1.00 0.00 C ATOM 74 CG ASN A 4 -7.705 -0.581 -16.807 1.00 0.00 C ATOM 75 OD1 ASN A 4 -7.619 -1.553 -16.073 1.00 0.00 O ATOM 76 ND2 ASN A 4 -7.774 -0.758 -18.106 1.00 0.00 N ATOM 0 H ASN A 4 -8.469 2.850 -14.208 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.777 0.626 -15.567 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.874 1.534 -17.090 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.765 1.068 -15.816 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.756 -1.701 -18.494 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.846 0.048 -18.727 1.00 0.00 H new ATOM 83 N TRP A 5 -9.097 -0.786 -13.591 1.00 0.00 N ATOM 84 CA TRP A 5 -8.799 -1.603 -12.402 1.00 0.00 C ATOM 85 C TRP A 5 -7.309 -1.973 -12.276 1.00 0.00 C ATOM 86 O TRP A 5 -6.784 -2.071 -11.166 1.00 0.00 O ATOM 87 CB TRP A 5 -9.665 -2.872 -12.419 1.00 0.00 C ATOM 88 CG TRP A 5 -9.280 -3.902 -13.441 1.00 0.00 C ATOM 89 CD1 TRP A 5 -9.696 -3.935 -14.728 1.00 0.00 C ATOM 90 CD2 TRP A 5 -8.367 -5.035 -13.285 1.00 0.00 C ATOM 91 NE1 TRP A 5 -9.097 -4.998 -15.381 1.00 0.00 N ATOM 92 CE2 TRP A 5 -8.267 -5.708 -14.540 1.00 0.00 C ATOM 93 CE3 TRP A 5 -7.606 -5.557 -12.216 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -7.457 -6.839 -14.726 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -6.793 -6.697 -12.388 1.00 0.00 C ATOM 96 CH2 TRP A 5 -6.718 -7.337 -13.638 1.00 0.00 C ATOM 0 H TRP A 5 -9.812 -1.198 -14.191 1.00 0.00 H new ATOM 0 HA TRP A 5 -9.038 -0.996 -11.529 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -9.625 -3.332 -11.432 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -10.701 -2.582 -12.593 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -10.389 -3.239 -15.177 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -9.251 -5.228 -16.363 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -7.647 -5.075 -11.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -7.402 -7.320 -15.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -6.224 -7.081 -11.554 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -6.094 -8.210 -13.762 1.00 0.00 H new ATOM 107 N PHE A 6 -6.608 -2.131 -13.402 1.00 0.00 N ATOM 108 CA PHE A 6 -5.176 -2.430 -13.460 1.00 0.00 C ATOM 109 C PHE A 6 -4.287 -1.256 -12.998 1.00 0.00 C ATOM 110 O PHE A 6 -3.146 -1.472 -12.597 1.00 0.00 O ATOM 111 CB PHE A 6 -4.824 -2.858 -14.893 1.00 0.00 C ATOM 112 CG PHE A 6 -3.526 -3.634 -15.007 1.00 0.00 C ATOM 113 CD1 PHE A 6 -3.517 -5.018 -14.742 1.00 0.00 C ATOM 114 CD2 PHE A 6 -2.329 -2.986 -15.371 1.00 0.00 C ATOM 115 CE1 PHE A 6 -2.320 -5.749 -14.840 1.00 0.00 C ATOM 116 CE2 PHE A 6 -1.130 -3.717 -15.464 1.00 0.00 C ATOM 117 CZ PHE A 6 -1.126 -5.098 -15.199 1.00 0.00 C ATOM 0 H PHE A 6 -7.034 -2.052 -14.325 1.00 0.00 H new ATOM 0 HA PHE A 6 -4.972 -3.240 -12.759 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -5.636 -3.469 -15.288 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.760 -1.969 -15.521 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -4.432 -5.519 -14.463 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.332 -1.926 -15.579 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.317 -6.810 -14.640 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.213 -3.217 -15.739 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.206 -5.659 -15.271 1.00 0.00 H new ATOM 127 N ASP A 7 -4.796 -0.016 -13.010 1.00 0.00 N ATOM 128 CA ASP A 7 -4.080 1.170 -12.508 1.00 0.00 C ATOM 129 C ASP A 7 -4.249 1.367 -10.986 1.00 0.00 C ATOM 130 O ASP A 7 -3.387 1.955 -10.329 1.00 0.00 O ATOM 131 CB ASP A 7 -4.555 2.412 -13.280 1.00 0.00 C ATOM 132 CG ASP A 7 -3.477 3.510 -13.293 1.00 0.00 C ATOM 133 OD1 ASP A 7 -2.518 3.399 -14.094 1.00 0.00 O ATOM 134 OD2 ASP A 7 -3.594 4.498 -12.528 1.00 0.00 O ATOM 0 H ASP A 7 -5.726 0.196 -13.372 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.014 1.016 -12.677 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.805 2.133 -14.304 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.466 2.800 -12.824 1.00 0.00 H new ATOM 139 N ILE A 8 -5.327 0.821 -10.401 1.00 0.00 N ATOM 140 CA ILE A 8 -5.617 0.850 -8.954 1.00 0.00 C ATOM 141 C ILE A 8 -4.523 0.149 -8.128 1.00 0.00 C ATOM 142 O ILE A 8 -4.298 0.510 -6.972 1.00 0.00 O ATOM 143 CB ILE A 8 -7.023 0.263 -8.662 1.00 0.00 C ATOM 144 CG1 ILE A 8 -8.150 0.958 -9.465 1.00 0.00 C ATOM 145 CG2 ILE A 8 -7.380 0.293 -7.164 1.00 0.00 C ATOM 146 CD1 ILE A 8 -8.262 2.479 -9.284 1.00 0.00 C ATOM 0 H ILE A 8 -6.044 0.332 -10.936 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.618 1.894 -8.641 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.958 -0.775 -8.988 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.998 0.748 -10.524 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.102 0.507 -9.184 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.374 -0.130 -7.018 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.651 -0.293 -6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.368 1.323 -6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.083 2.858 -9.892 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.451 2.708 -8.235 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.331 2.952 -9.596 1.00 0.00 H new ATOM 158 N THR A 9 -3.776 -0.793 -8.715 1.00 0.00 N ATOM 159 CA THR A 9 -2.677 -1.515 -8.044 1.00 0.00 C ATOM 160 C THR A 9 -1.611 -0.589 -7.450 1.00 0.00 C ATOM 161 O THR A 9 -1.078 -0.896 -6.384 1.00 0.00 O ATOM 162 CB THR A 9 -1.992 -2.534 -8.970 1.00 0.00 C ATOM 163 OG1 THR A 9 -1.349 -1.868 -10.034 1.00 0.00 O ATOM 164 CG2 THR A 9 -2.972 -3.550 -9.562 1.00 0.00 C ATOM 0 H THR A 9 -3.916 -1.083 -9.683 1.00 0.00 H new ATOM 0 HA THR A 9 -3.163 -2.043 -7.224 1.00 0.00 H new ATOM 0 HB THR A 9 -1.272 -3.073 -8.354 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.962 -1.799 -10.795 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.432 -4.243 -10.207 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.453 -4.104 -8.756 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.730 -3.027 -10.146 1.00 0.00 H new ATOM 172 N ASN A 10 -1.344 0.573 -8.063 1.00 0.00 N ATOM 173 CA ASN A 10 -0.421 1.585 -7.534 1.00 0.00 C ATOM 174 C ASN A 10 -0.868 2.121 -6.160 1.00 0.00 C ATOM 175 O ASN A 10 -0.051 2.263 -5.248 1.00 0.00 O ATOM 176 CB ASN A 10 -0.284 2.736 -8.551 1.00 0.00 C ATOM 177 CG ASN A 10 0.453 2.351 -9.828 1.00 0.00 C ATOM 178 OD1 ASN A 10 1.331 1.498 -9.852 1.00 0.00 O ATOM 179 ND2 ASN A 10 0.153 3.001 -10.930 1.00 0.00 N ATOM 0 H ASN A 10 -1.769 0.839 -8.951 1.00 0.00 H new ATOM 0 HA ASN A 10 0.549 1.111 -7.384 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.279 3.096 -8.813 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.241 3.565 -8.077 1.00 0.00 H new ATOM 0 HD21 ASN A 10 0.650 2.793 -11.796 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.577 3.713 -10.919 1.00 0.00 H new ATOM 186 N TRP A 11 -2.169 2.385 -5.993 1.00 0.00 N ATOM 187 CA TRP A 11 -2.775 2.815 -4.727 1.00 0.00 C ATOM 188 C TRP A 11 -2.716 1.705 -3.671 1.00 0.00 C ATOM 189 O TRP A 11 -2.342 1.965 -2.526 1.00 0.00 O ATOM 190 CB TRP A 11 -4.220 3.275 -4.968 1.00 0.00 C ATOM 191 CG TRP A 11 -4.376 4.440 -5.904 1.00 0.00 C ATOM 192 CD1 TRP A 11 -4.464 4.363 -7.253 1.00 0.00 C ATOM 193 CD2 TRP A 11 -4.454 5.863 -5.581 1.00 0.00 C ATOM 194 NE1 TRP A 11 -4.607 5.631 -7.783 1.00 0.00 N ATOM 195 CE2 TRP A 11 -4.608 6.594 -6.797 1.00 0.00 C ATOM 196 CE3 TRP A 11 -4.408 6.612 -4.383 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -4.716 7.993 -6.826 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -4.514 8.017 -4.401 1.00 0.00 C ATOM 199 CH2 TRP A 11 -4.669 8.708 -5.617 1.00 0.00 C ATOM 0 H TRP A 11 -2.846 2.304 -6.752 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.201 3.656 -4.339 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -4.790 2.434 -5.363 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -4.664 3.539 -4.008 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.428 3.449 -7.827 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.700 5.829 -8.779 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -4.290 6.100 -3.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.834 8.513 -7.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.476 8.568 -3.473 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.752 9.785 -5.621 1.00 0.00 H new ATOM 210 N LEU A 12 -3.019 0.456 -4.051 1.00 0.00 N ATOM 211 CA LEU A 12 -2.903 -0.718 -3.171 1.00 0.00 C ATOM 212 C LEU A 12 -1.461 -0.905 -2.657 1.00 0.00 C ATOM 213 O LEU A 12 -1.248 -1.134 -1.464 1.00 0.00 O ATOM 214 CB LEU A 12 -3.402 -1.987 -3.893 1.00 0.00 C ATOM 215 CG LEU A 12 -4.860 -1.939 -4.392 1.00 0.00 C ATOM 216 CD1 LEU A 12 -5.205 -3.242 -5.116 1.00 0.00 C ATOM 217 CD2 LEU A 12 -5.870 -1.745 -3.260 1.00 0.00 C ATOM 0 H LEU A 12 -3.355 0.229 -4.987 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.536 -0.545 -2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.751 -2.178 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.296 -2.834 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.928 -1.082 -5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.236 -3.202 -5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.538 -3.373 -5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.087 -4.081 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.879 -1.719 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.788 -2.571 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.664 -0.806 -2.746 1.00 0.00 H new ATOM 229 N TRP A 13 -0.465 -0.753 -3.535 1.00 0.00 N ATOM 230 CA TRP A 13 0.963 -0.847 -3.198 1.00 0.00 C ATOM 231 C TRP A 13 1.410 0.215 -2.178 1.00 0.00 C ATOM 232 O TRP A 13 2.245 -0.066 -1.317 1.00 0.00 O ATOM 233 CB TRP A 13 1.806 -0.776 -4.480 1.00 0.00 C ATOM 234 CG TRP A 13 3.028 -1.641 -4.475 1.00 0.00 C ATOM 235 CD1 TRP A 13 3.020 -2.975 -4.698 1.00 0.00 C ATOM 236 CD2 TRP A 13 4.427 -1.272 -4.272 1.00 0.00 C ATOM 237 NE1 TRP A 13 4.313 -3.460 -4.649 1.00 0.00 N ATOM 238 CE2 TRP A 13 5.221 -2.454 -4.393 1.00 0.00 C ATOM 239 CE3 TRP A 13 5.114 -0.065 -4.014 1.00 0.00 C ATOM 240 CZ2 TRP A 13 6.618 -2.441 -4.267 1.00 0.00 C ATOM 241 CZ3 TRP A 13 6.517 -0.039 -3.890 1.00 0.00 C ATOM 242 CH2 TRP A 13 7.269 -1.222 -4.013 1.00 0.00 C ATOM 0 H TRP A 13 -0.630 -0.557 -4.522 1.00 0.00 H new ATOM 0 HA TRP A 13 1.122 -1.811 -2.715 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.180 -1.060 -5.326 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.110 0.258 -4.641 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.138 -3.570 -4.886 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.564 -4.439 -4.785 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.554 0.853 -3.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.185 -3.355 -4.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.020 0.897 -3.699 1.00 0.00 H new ATOM 0 HH2 TRP A 13 8.344 -1.193 -3.912 1.00 0.00 H new ATOM 253 N TYR A 14 0.815 1.415 -2.218 1.00 0.00 N ATOM 254 CA TYR A 14 1.059 2.490 -1.247 1.00 0.00 C ATOM 255 C TYR A 14 0.731 2.038 0.188 1.00 0.00 C ATOM 256 O TYR A 14 1.519 2.251 1.112 1.00 0.00 O ATOM 257 CB TYR A 14 0.251 3.741 -1.639 1.00 0.00 C ATOM 258 CG TYR A 14 0.838 5.052 -1.143 1.00 0.00 C ATOM 259 CD1 TYR A 14 0.791 5.388 0.226 1.00 0.00 C ATOM 260 CD2 TYR A 14 1.430 5.944 -2.060 1.00 0.00 C ATOM 261 CE1 TYR A 14 1.350 6.600 0.677 1.00 0.00 C ATOM 262 CE2 TYR A 14 1.980 7.161 -1.614 1.00 0.00 C ATOM 263 CZ TYR A 14 1.945 7.491 -0.241 1.00 0.00 C ATOM 264 OH TYR A 14 2.480 8.663 0.202 1.00 0.00 O ATOM 0 H TYR A 14 0.139 1.670 -2.938 1.00 0.00 H new ATOM 0 HA TYR A 14 2.120 2.740 -1.266 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.172 3.781 -2.725 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.762 3.641 -1.249 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.325 4.715 0.930 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.462 5.693 -3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.323 6.848 1.728 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.429 7.842 -2.322 1.00 0.00 H new ATOM 0 HH TYR A 14 2.851 9.161 -0.556 1.00 0.00 H new ATOM 274 N ILE A 15 -0.412 1.369 0.379 1.00 0.00 N ATOM 275 CA ILE A 15 -0.822 0.793 1.672 1.00 0.00 C ATOM 276 C ILE A 15 0.051 -0.420 2.038 1.00 0.00 C ATOM 277 O ILE A 15 0.407 -0.584 3.206 1.00 0.00 O ATOM 278 CB ILE A 15 -2.327 0.440 1.657 1.00 0.00 C ATOM 279 CG1 ILE A 15 -3.214 1.671 1.330 1.00 0.00 C ATOM 280 CG2 ILE A 15 -2.782 -0.137 3.011 1.00 0.00 C ATOM 281 CD1 ILE A 15 -4.309 1.330 0.315 1.00 0.00 C ATOM 0 H ILE A 15 -1.089 1.209 -0.367 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.669 1.542 2.449 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.450 -0.308 0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.671 2.043 2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.591 2.474 0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.845 -0.375 2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.216 -1.043 3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.607 0.598 3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.908 2.218 0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.851 0.983 -0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.949 0.546 0.720 1.00 0.00 H new ATOM 293 N LYS A 16 0.475 -1.243 1.063 1.00 0.00 N ATOM 294 CA LYS A 16 1.400 -2.370 1.295 1.00 0.00 C ATOM 295 C LYS A 16 2.715 -1.933 1.960 1.00 0.00 C ATOM 296 O LYS A 16 3.185 -2.595 2.885 1.00 0.00 O ATOM 297 CB LYS A 16 1.662 -3.146 -0.006 1.00 0.00 C ATOM 298 CG LYS A 16 2.049 -4.599 0.320 1.00 0.00 C ATOM 299 CD LYS A 16 3.015 -5.182 -0.714 1.00 0.00 C ATOM 300 CE LYS A 16 3.363 -6.626 -0.326 1.00 0.00 C ATOM 301 NZ LYS A 16 4.354 -7.231 -1.255 1.00 0.00 N ATOM 0 H LYS A 16 0.186 -1.146 0.090 1.00 0.00 H new ATOM 0 HA LYS A 16 0.907 -3.040 1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.772 -3.130 -0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.461 -2.666 -0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.508 -4.639 1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.149 -5.213 0.362 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.562 -5.159 -1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.921 -4.578 -0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.761 -6.643 0.689 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.455 -7.229 -0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.560 -8.206 -0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.965 -7.240 -2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.231 -6.672 -1.240 1.00 0.00 H new ATOM 315 N LEU A 17 3.282 -0.797 1.540 1.00 0.00 N ATOM 316 CA LEU A 17 4.479 -0.199 2.152 1.00 0.00 C ATOM 317 C LEU A 17 4.279 0.103 3.646 1.00 0.00 C ATOM 318 O LEU A 17 5.155 -0.199 4.457 1.00 0.00 O ATOM 319 CB LEU A 17 4.875 1.086 1.399 1.00 0.00 C ATOM 320 CG LEU A 17 5.406 0.861 -0.029 1.00 0.00 C ATOM 321 CD1 LEU A 17 5.407 2.188 -0.788 1.00 0.00 C ATOM 322 CD2 LEU A 17 6.837 0.316 -0.016 1.00 0.00 C ATOM 0 H LEU A 17 2.919 -0.257 0.754 1.00 0.00 H new ATOM 0 HA LEU A 17 5.284 -0.930 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.007 1.743 1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.637 1.608 1.977 1.00 0.00 H new ATOM 0 HG LEU A 17 4.754 0.134 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.783 2.029 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.391 2.580 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.048 2.902 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.180 0.169 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.492 1.027 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.859 -0.636 0.514 1.00 0.00 H new ATOM 334 N PHE A 18 3.117 0.647 4.034 1.00 0.00 N ATOM 335 CA PHE A 18 2.768 0.921 5.434 1.00 0.00 C ATOM 336 C PHE A 18 2.842 -0.340 6.310 1.00 0.00 C ATOM 337 O PHE A 18 3.398 -0.293 7.408 1.00 0.00 O ATOM 338 CB PHE A 18 1.377 1.572 5.505 1.00 0.00 C ATOM 339 CG PHE A 18 1.018 2.136 6.867 1.00 0.00 C ATOM 340 CD1 PHE A 18 0.394 1.321 7.833 1.00 0.00 C ATOM 341 CD2 PHE A 18 1.297 3.484 7.166 1.00 0.00 C ATOM 342 CE1 PHE A 18 0.051 1.852 9.089 1.00 0.00 C ATOM 343 CE2 PHE A 18 0.954 4.014 8.423 1.00 0.00 C ATOM 344 CZ PHE A 18 0.331 3.199 9.385 1.00 0.00 C ATOM 0 H PHE A 18 2.384 0.912 3.376 1.00 0.00 H new ATOM 0 HA PHE A 18 3.505 1.616 5.836 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.326 2.374 4.768 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.628 0.832 5.223 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.179 0.287 7.608 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.775 4.112 6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.428 1.226 9.827 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.169 5.048 8.650 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.068 3.606 10.350 1.00 0.00 H new ATOM 354 N ILE A 19 2.348 -1.483 5.814 1.00 0.00 N ATOM 355 CA ILE A 19 2.433 -2.784 6.504 1.00 0.00 C ATOM 356 C ILE A 19 3.898 -3.156 6.789 1.00 0.00 C ATOM 357 O ILE A 19 4.221 -3.539 7.914 1.00 0.00 O ATOM 358 CB ILE A 19 1.706 -3.908 5.721 1.00 0.00 C ATOM 359 CG1 ILE A 19 0.240 -3.524 5.402 1.00 0.00 C ATOM 360 CG2 ILE A 19 1.736 -5.218 6.535 1.00 0.00 C ATOM 361 CD1 ILE A 19 -0.492 -4.523 4.495 1.00 0.00 C ATOM 0 H ILE A 19 1.873 -1.534 4.913 1.00 0.00 H new ATOM 0 HA ILE A 19 1.917 -2.681 7.458 1.00 0.00 H new ATOM 0 HB ILE A 19 2.230 -4.049 4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.311 -3.430 6.338 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.229 -2.543 4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.224 -6.003 5.979 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.770 -5.514 6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.235 -5.064 7.491 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.511 -4.178 4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.031 -4.600 3.542 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.516 -5.501 4.976 1.00 0.00 H new ATOM 373 N MET A 20 4.800 -3.005 5.810 1.00 0.00 N ATOM 374 CA MET A 20 6.236 -3.269 5.998 1.00 0.00 C ATOM 375 C MET A 20 6.883 -2.332 7.032 1.00 0.00 C ATOM 376 O MET A 20 7.644 -2.791 7.885 1.00 0.00 O ATOM 377 CB MET A 20 7.007 -3.174 4.672 1.00 0.00 C ATOM 378 CG MET A 20 6.478 -4.135 3.605 1.00 0.00 C ATOM 379 SD MET A 20 7.649 -4.418 2.251 1.00 0.00 S ATOM 380 CE MET A 20 6.652 -5.532 1.230 1.00 0.00 C ATOM 0 H MET A 20 4.558 -2.698 4.868 1.00 0.00 H new ATOM 0 HA MET A 20 6.300 -4.288 6.379 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.948 -2.153 4.295 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.061 -3.386 4.854 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.237 -5.089 4.073 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.549 -3.737 3.196 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.217 -5.815 0.342 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.404 -6.426 1.802 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.734 -5.027 0.930 1.00 0.00 H new ATOM 390 N ILE A 21 6.568 -1.031 6.980 1.00 0.00 N ATOM 391 CA ILE A 21 7.076 -0.013 7.915 1.00 0.00 C ATOM 392 C ILE A 21 6.642 -0.337 9.354 1.00 0.00 C ATOM 393 O ILE A 21 7.490 -0.489 10.235 1.00 0.00 O ATOM 394 CB ILE A 21 6.626 1.400 7.467 1.00 0.00 C ATOM 395 CG1 ILE A 21 7.277 1.786 6.117 1.00 0.00 C ATOM 396 CG2 ILE A 21 6.988 2.454 8.528 1.00 0.00 C ATOM 397 CD1 ILE A 21 6.584 2.965 5.417 1.00 0.00 C ATOM 0 H ILE A 21 5.941 -0.647 6.273 1.00 0.00 H new ATOM 0 HA ILE A 21 8.166 -0.025 7.901 1.00 0.00 H new ATOM 0 HB ILE A 21 5.543 1.375 7.345 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.324 2.039 6.287 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.261 0.920 5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.662 3.438 8.190 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.492 2.210 9.467 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.067 2.462 8.679 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.093 3.181 4.478 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.544 2.708 5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.623 3.844 6.061 1.00 0.00 H new ATOM 409 N VAL A 22 5.339 -0.516 9.602 1.00 0.00 N ATOM 410 CA VAL A 22 4.808 -0.896 10.926 1.00 0.00 C ATOM 411 C VAL A 22 5.332 -2.259 11.368 1.00 0.00 C ATOM 412 O VAL A 22 5.643 -2.428 12.542 1.00 0.00 O ATOM 413 CB VAL A 22 3.270 -0.882 10.944 1.00 0.00 C ATOM 414 CG1 VAL A 22 2.668 -1.283 12.299 1.00 0.00 C ATOM 415 CG2 VAL A 22 2.764 0.539 10.666 1.00 0.00 C ATOM 0 H VAL A 22 4.617 -0.402 8.891 1.00 0.00 H new ATOM 0 HA VAL A 22 5.162 -0.149 11.636 1.00 0.00 H new ATOM 0 HB VAL A 22 2.964 -1.603 10.186 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.580 -1.251 12.238 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.987 -2.293 12.554 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.009 -0.590 13.068 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.674 0.546 10.679 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.141 1.216 11.433 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.117 0.866 9.688 1.00 0.00 H new ATOM 425 N GLY A 23 5.531 -3.201 10.443 1.00 0.00 N ATOM 426 CA GLY A 23 6.127 -4.509 10.724 1.00 0.00 C ATOM 427 C GLY A 23 7.501 -4.437 11.418 1.00 0.00 C ATOM 428 O GLY A 23 7.875 -5.366 12.138 1.00 0.00 O ATOM 0 H GLY A 23 5.279 -3.074 9.463 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.444 -5.080 11.352 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.233 -5.057 9.788 1.00 0.00 H new ATOM 432 N GLY A 24 8.236 -3.331 11.233 1.00 0.00 N ATOM 433 CA GLY A 24 9.514 -3.036 11.888 1.00 0.00 C ATOM 434 C GLY A 24 9.401 -2.008 13.026 1.00 0.00 C ATOM 435 O GLY A 24 10.147 -2.104 13.998 1.00 0.00 O ATOM 0 H GLY A 24 7.943 -2.589 10.597 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.931 -3.961 12.286 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.217 -2.664 11.143 1.00 0.00 H new ATOM 439 N LEU A 25 8.475 -1.042 12.945 1.00 0.00 N ATOM 440 CA LEU A 25 8.287 0.010 13.960 1.00 0.00 C ATOM 441 C LEU A 25 7.384 -0.379 15.146 1.00 0.00 C ATOM 442 O LEU A 25 7.467 0.257 16.196 1.00 0.00 O ATOM 443 CB LEU A 25 7.770 1.303 13.297 1.00 0.00 C ATOM 444 CG LEU A 25 8.743 1.991 12.317 1.00 0.00 C ATOM 445 CD1 LEU A 25 8.145 3.329 11.879 1.00 0.00 C ATOM 446 CD2 LEU A 25 10.116 2.281 12.929 1.00 0.00 C ATOM 0 H LEU A 25 7.825 -0.966 12.162 1.00 0.00 H new ATOM 0 HA LEU A 25 9.274 0.169 14.394 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.849 1.071 12.762 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.512 2.014 14.082 1.00 0.00 H new ATOM 0 HG LEU A 25 8.882 1.303 11.483 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.826 3.823 11.186 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.188 3.156 11.386 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.994 3.963 12.752 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.750 2.765 12.186 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.999 2.939 13.790 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.578 1.346 13.247 1.00 0.00 H new ATOM 458 N VAL A 26 6.552 -1.421 15.035 1.00 0.00 N ATOM 459 CA VAL A 26 5.646 -1.874 16.116 1.00 0.00 C ATOM 460 C VAL A 26 6.397 -2.375 17.361 1.00 0.00 C ATOM 461 O VAL A 26 5.915 -2.217 18.486 1.00 0.00 O ATOM 462 CB VAL A 26 4.647 -2.924 15.579 1.00 0.00 C ATOM 463 CG1 VAL A 26 5.287 -4.281 15.249 1.00 0.00 C ATOM 464 CG2 VAL A 26 3.467 -3.147 16.527 1.00 0.00 C ATOM 0 H VAL A 26 6.482 -1.984 14.187 1.00 0.00 H new ATOM 0 HA VAL A 26 5.081 -1.003 16.449 1.00 0.00 H new ATOM 0 HB VAL A 26 4.285 -2.490 14.647 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.522 -4.963 14.878 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.053 -4.146 14.486 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.740 -4.698 16.148 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.795 -3.893 16.103 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.836 -3.497 17.491 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.928 -2.210 16.663 1.00 0.00 H new ATOM 474 N LYS A 27 7.598 -2.945 17.172 1.00 0.00 N ATOM 475 CA LYS A 27 8.475 -3.480 18.233 1.00 0.00 C ATOM 476 C LYS A 27 9.451 -2.447 18.830 1.00 0.00 C ATOM 477 O LYS A 27 9.864 -2.597 19.982 1.00 0.00 O ATOM 478 CB LYS A 27 9.225 -4.707 17.681 1.00 0.00 C ATOM 479 CG LYS A 27 10.367 -4.315 16.728 1.00 0.00 C ATOM 480 CD LYS A 27 10.895 -5.441 15.836 1.00 0.00 C ATOM 481 CE LYS A 27 11.488 -6.632 16.608 1.00 0.00 C ATOM 482 NZ LYS A 27 10.505 -7.731 16.812 1.00 0.00 N ATOM 0 H LYS A 27 8.003 -3.051 16.242 1.00 0.00 H new ATOM 0 HA LYS A 27 7.837 -3.766 19.069 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.630 -5.286 18.511 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.522 -5.353 17.155 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.022 -3.501 16.090 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.195 -3.926 17.321 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.082 -5.800 15.204 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.659 -5.036 15.173 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.351 -7.018 16.065 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.849 -6.288 17.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.956 -8.507 17.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.692 -7.374 17.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.179 -8.081 15.889 1.00 0.00 H new ATOM 496 N LYS A 28 9.836 -1.434 18.040 1.00 0.00 N ATOM 497 CA LYS A 28 10.815 -0.372 18.363 1.00 0.00 C ATOM 498 C LYS A 28 10.434 0.434 19.617 1.00 0.00 C ATOM 499 O LYS A 28 9.257 0.842 19.754 1.00 0.00 O ATOM 500 CB LYS A 28 11.006 0.550 17.141 1.00 0.00 C ATOM 501 CG LYS A 28 11.803 -0.125 16.006 1.00 0.00 C ATOM 502 CD LYS A 28 13.290 0.267 15.948 1.00 0.00 C ATOM 503 CE LYS A 28 13.540 1.270 14.809 1.00 0.00 C ATOM 504 NZ LYS A 28 14.982 1.600 14.664 1.00 0.00 N ATOM 505 OXT LYS A 28 11.332 0.673 20.456 1.00 0.00 O ATOM 0 H LYS A 28 9.453 -1.323 17.101 1.00 0.00 H new ATOM 0 HA LYS A 28 11.761 -0.859 18.598 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.029 0.853 16.763 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.523 1.458 17.453 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.730 -1.206 16.122 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.337 0.126 15.053 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.594 0.705 16.899 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.901 -0.623 15.797 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.167 0.855 13.872 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.977 2.183 15.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.106 2.279 13.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.333 2.020 15.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.517 0.733 14.456 1.00 0.00 H new TER 519 LYS A 28