USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=5 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+ -115:sc= 0.0309 (180deg=-0.303) 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=0.097) 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 -175:sc= 0 (180deg=-0.00944) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 2.24 (180deg=2.07) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.323 8.114 -5.998 1.00 0.00 N ATOM 2 CA LYS A 1 -9.289 8.671 -6.993 1.00 0.00 C ATOM 3 C LYS A 1 -10.007 7.531 -7.728 1.00 0.00 C ATOM 4 O LYS A 1 -9.492 6.412 -7.766 1.00 0.00 O ATOM 5 CB LYS A 1 -8.590 9.615 -8.004 1.00 0.00 C ATOM 6 CG LYS A 1 -7.955 10.868 -7.363 1.00 0.00 C ATOM 7 CD LYS A 1 -6.596 11.242 -7.980 1.00 0.00 C ATOM 8 CE LYS A 1 -6.716 11.765 -9.418 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.377 12.084 -9.984 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.627 8.371 -5.037 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.292 7.078 -6.086 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.376 8.505 -6.177 1.00 0.00 H new ATOM 0 HA LYS A 1 -10.025 9.263 -6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.815 9.057 -8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.317 9.932 -8.751 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.639 11.710 -7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.827 10.696 -6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.119 12.002 -7.361 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -5.945 10.368 -7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.209 11.018 -10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.343 12.657 -9.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.486 12.435 -10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -4.919 12.814 -9.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.789 11.226 -9.990 1.00 0.00 H new ATOM 25 N LYS A 2 -11.178 7.788 -8.334 1.00 0.00 N ATOM 26 CA LYS A 2 -12.003 6.814 -9.091 1.00 0.00 C ATOM 27 C LYS A 2 -11.414 6.470 -10.480 1.00 0.00 C ATOM 28 O LYS A 2 -12.069 6.614 -11.515 1.00 0.00 O ATOM 29 CB LYS A 2 -13.452 7.342 -9.163 1.00 0.00 C ATOM 30 CG LYS A 2 -14.471 6.220 -9.432 1.00 0.00 C ATOM 31 CD LYS A 2 -15.870 6.801 -9.676 1.00 0.00 C ATOM 32 CE LYS A 2 -16.904 5.674 -9.787 1.00 0.00 C ATOM 33 NZ LYS A 2 -18.288 6.209 -9.861 1.00 0.00 N ATOM 0 H LYS A 2 -11.599 8.717 -8.313 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.001 5.863 -8.559 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.702 7.839 -8.226 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.524 8.092 -9.951 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.158 5.638 -10.299 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.499 5.537 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.140 7.472 -8.860 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.870 7.395 -10.590 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.697 5.075 -10.674 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.815 5.011 -8.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.962 5.420 -9.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.493 6.760 -9.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.379 6.822 -10.696 1.00 0.00 H new ATOM 47 N LYS A 3 -10.148 6.044 -10.506 1.00 0.00 N ATOM 48 CA LYS A 3 -9.421 5.563 -11.695 1.00 0.00 C ATOM 49 C LYS A 3 -9.939 4.190 -12.152 1.00 0.00 C ATOM 50 O LYS A 3 -10.706 3.530 -11.445 1.00 0.00 O ATOM 51 CB LYS A 3 -7.915 5.537 -11.368 1.00 0.00 C ATOM 52 CG LYS A 3 -7.312 6.954 -11.288 1.00 0.00 C ATOM 53 CD LYS A 3 -6.446 7.273 -12.520 1.00 0.00 C ATOM 54 CE LYS A 3 -6.144 8.771 -12.658 1.00 0.00 C ATOM 55 NZ LYS A 3 -7.248 9.496 -13.346 1.00 0.00 N ATOM 0 H LYS A 3 -9.572 6.022 -9.664 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.591 6.240 -12.532 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.760 5.024 -10.419 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.389 4.963 -12.131 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.114 7.687 -11.207 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.708 7.042 -10.385 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.508 6.722 -12.453 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.956 6.925 -13.418 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.986 9.203 -11.670 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.217 8.905 -13.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.007 10.505 -13.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.382 9.101 -14.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.127 9.389 -12.800 1.00 0.00 H new ATOM 69 N ASN A 4 -9.530 3.765 -13.350 1.00 0.00 N ATOM 70 CA ASN A 4 -9.935 2.488 -13.945 1.00 0.00 C ATOM 71 C ASN A 4 -9.447 1.272 -13.130 1.00 0.00 C ATOM 72 O ASN A 4 -8.485 1.371 -12.366 1.00 0.00 O ATOM 73 CB ASN A 4 -9.432 2.435 -15.406 1.00 0.00 C ATOM 74 CG ASN A 4 -10.581 2.205 -16.370 1.00 0.00 C ATOM 75 OD1 ASN A 4 -11.047 1.090 -16.554 1.00 0.00 O ATOM 76 ND2 ASN A 4 -11.094 3.248 -16.983 1.00 0.00 N ATOM 0 H ASN A 4 -8.900 4.305 -13.942 1.00 0.00 H new ATOM 0 HA ASN A 4 -11.023 2.430 -13.932 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.926 3.368 -15.654 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.698 1.636 -15.513 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.885 3.129 -17.616 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.701 4.176 -16.826 1.00 0.00 H new ATOM 83 N TRP A 5 -10.053 0.100 -13.349 1.00 0.00 N ATOM 84 CA TRP A 5 -9.672 -1.156 -12.679 1.00 0.00 C ATOM 85 C TRP A 5 -8.203 -1.542 -12.924 1.00 0.00 C ATOM 86 O TRP A 5 -7.543 -2.074 -12.031 1.00 0.00 O ATOM 87 CB TRP A 5 -10.605 -2.290 -13.122 1.00 0.00 C ATOM 88 CG TRP A 5 -10.448 -2.729 -14.548 1.00 0.00 C ATOM 89 CD1 TRP A 5 -11.116 -2.221 -15.609 1.00 0.00 C ATOM 90 CD2 TRP A 5 -9.538 -3.738 -15.091 1.00 0.00 C ATOM 91 NE1 TRP A 5 -10.682 -2.839 -16.767 1.00 0.00 N ATOM 92 CE2 TRP A 5 -9.711 -3.782 -16.507 1.00 0.00 C ATOM 93 CE3 TRP A 5 -8.570 -4.606 -14.536 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -8.973 -4.649 -17.328 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -7.817 -5.474 -15.351 1.00 0.00 C ATOM 96 CH2 TRP A 5 -8.020 -5.500 -16.743 1.00 0.00 C ATOM 0 H TRP A 5 -10.829 -0.008 -14.002 1.00 0.00 H new ATOM 0 HA TRP A 5 -9.777 -0.992 -11.606 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -10.438 -3.150 -12.474 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -11.636 -1.971 -12.969 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -11.872 -1.451 -15.559 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -11.037 -2.624 -17.699 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -8.405 -4.604 -13.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -9.136 -4.662 -18.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -7.079 -6.124 -14.904 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -7.444 -6.173 -17.361 1.00 0.00 H new ATOM 107 N PHE A 6 -7.670 -1.228 -14.109 1.00 0.00 N ATOM 108 CA PHE A 6 -6.263 -1.437 -14.458 1.00 0.00 C ATOM 109 C PHE A 6 -5.319 -0.599 -13.580 1.00 0.00 C ATOM 110 O PHE A 6 -4.251 -1.069 -13.192 1.00 0.00 O ATOM 111 CB PHE A 6 -6.040 -1.134 -15.954 1.00 0.00 C ATOM 112 CG PHE A 6 -5.391 -2.273 -16.723 1.00 0.00 C ATOM 113 CD1 PHE A 6 -4.125 -2.760 -16.341 1.00 0.00 C ATOM 114 CD2 PHE A 6 -6.057 -2.855 -17.819 1.00 0.00 C ATOM 115 CE1 PHE A 6 -3.540 -3.833 -17.037 1.00 0.00 C ATOM 116 CE2 PHE A 6 -5.469 -3.925 -18.518 1.00 0.00 C ATOM 117 CZ PHE A 6 -4.213 -4.418 -18.123 1.00 0.00 C ATOM 0 H PHE A 6 -8.215 -0.814 -14.865 1.00 0.00 H new ATOM 0 HA PHE A 6 -6.024 -2.483 -14.268 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -7.000 -0.899 -16.414 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -5.416 -0.245 -16.045 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.602 -2.308 -15.511 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -7.022 -2.479 -18.124 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.573 -4.208 -16.737 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -5.983 -4.368 -19.358 1.00 0.00 H new ATOM 0 HZ PHE A 6 -3.766 -5.246 -18.654 1.00 0.00 H new ATOM 127 N ASP A 7 -5.716 0.627 -13.219 1.00 0.00 N ATOM 128 CA ASP A 7 -4.921 1.546 -12.391 1.00 0.00 C ATOM 129 C ASP A 7 -4.790 1.074 -10.931 1.00 0.00 C ATOM 130 O ASP A 7 -3.832 1.436 -10.247 1.00 0.00 O ATOM 131 CB ASP A 7 -5.522 2.956 -12.456 1.00 0.00 C ATOM 132 CG ASP A 7 -4.428 4.028 -12.578 1.00 0.00 C ATOM 133 OD1 ASP A 7 -3.924 4.517 -11.541 1.00 0.00 O ATOM 134 OD2 ASP A 7 -4.076 4.395 -13.726 1.00 0.00 O ATOM 0 H ASP A 7 -6.616 1.017 -13.499 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.911 1.561 -12.800 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.198 3.026 -13.308 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.116 3.141 -11.561 1.00 0.00 H new ATOM 139 N ILE A 8 -5.698 0.207 -10.458 1.00 0.00 N ATOM 140 CA ILE A 8 -5.635 -0.409 -9.118 1.00 0.00 C ATOM 141 C ILE A 8 -4.331 -1.214 -8.942 1.00 0.00 C ATOM 142 O ILE A 8 -3.874 -1.403 -7.815 1.00 0.00 O ATOM 143 CB ILE A 8 -6.902 -1.250 -8.825 1.00 0.00 C ATOM 144 CG1 ILE A 8 -8.217 -0.461 -9.053 1.00 0.00 C ATOM 145 CG2 ILE A 8 -6.903 -1.829 -7.397 1.00 0.00 C ATOM 146 CD1 ILE A 8 -8.402 0.798 -8.193 1.00 0.00 C ATOM 0 H ILE A 8 -6.509 -0.092 -11.000 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.616 0.388 -8.374 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.865 -2.071 -9.542 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.267 -0.171 -10.103 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.057 -1.131 -8.867 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.812 -2.410 -7.241 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.033 -2.473 -7.265 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.865 -1.014 -6.674 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.355 1.268 -8.437 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.393 0.523 -7.138 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.590 1.498 -8.393 1.00 0.00 H new ATOM 158 N THR A 9 -3.668 -1.619 -10.037 1.00 0.00 N ATOM 159 CA THR A 9 -2.361 -2.300 -10.001 1.00 0.00 C ATOM 160 C THR A 9 -1.299 -1.450 -9.283 1.00 0.00 C ATOM 161 O THR A 9 -0.439 -1.985 -8.581 1.00 0.00 O ATOM 162 CB THR A 9 -1.898 -2.681 -11.420 1.00 0.00 C ATOM 163 OG1 THR A 9 -0.941 -3.715 -11.343 1.00 0.00 O ATOM 164 CG2 THR A 9 -1.267 -1.540 -12.229 1.00 0.00 C ATOM 0 H THR A 9 -4.027 -1.482 -10.982 1.00 0.00 H new ATOM 0 HA THR A 9 -2.486 -3.219 -9.428 1.00 0.00 H new ATOM 0 HB THR A 9 -2.809 -2.979 -11.938 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.648 -3.958 -12.246 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.975 -1.909 -13.212 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.990 -0.733 -12.345 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.387 -1.166 -11.706 1.00 0.00 H new ATOM 172 N ASN A 10 -1.391 -0.115 -9.387 1.00 0.00 N ATOM 173 CA ASN A 10 -0.520 0.823 -8.676 1.00 0.00 C ATOM 174 C ASN A 10 -0.781 0.821 -7.157 1.00 0.00 C ATOM 175 O ASN A 10 0.160 0.910 -6.372 1.00 0.00 O ATOM 176 CB ASN A 10 -0.643 2.234 -9.289 1.00 0.00 C ATOM 177 CG ASN A 10 0.650 2.652 -9.969 1.00 0.00 C ATOM 178 OD1 ASN A 10 1.514 3.287 -9.382 1.00 0.00 O ATOM 179 ND2 ASN A 10 0.848 2.275 -11.212 1.00 0.00 N ATOM 0 H ASN A 10 -2.084 0.346 -9.977 1.00 0.00 H new ATOM 0 HA ASN A 10 0.510 0.490 -8.802 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.459 2.250 -10.012 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -0.895 2.952 -8.508 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.720 2.512 -11.684 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.129 1.745 -11.705 1.00 0.00 H new ATOM 186 N TRP A 11 -2.038 0.680 -6.728 1.00 0.00 N ATOM 187 CA TRP A 11 -2.393 0.559 -5.309 1.00 0.00 C ATOM 188 C TRP A 11 -2.036 -0.817 -4.732 1.00 0.00 C ATOM 189 O TRP A 11 -1.588 -0.898 -3.590 1.00 0.00 O ATOM 190 CB TRP A 11 -3.874 0.891 -5.105 1.00 0.00 C ATOM 191 CG TRP A 11 -4.185 2.342 -5.311 1.00 0.00 C ATOM 192 CD1 TRP A 11 -4.917 2.865 -6.323 1.00 0.00 C ATOM 193 CD2 TRP A 11 -3.731 3.479 -4.513 1.00 0.00 C ATOM 194 NE1 TRP A 11 -4.943 4.243 -6.206 1.00 0.00 N ATOM 195 CE2 TRP A 11 -4.220 4.676 -5.114 1.00 0.00 C ATOM 196 CE3 TRP A 11 -2.940 3.620 -3.350 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -3.936 5.948 -4.593 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -2.646 4.892 -2.820 1.00 0.00 C ATOM 199 CH2 TRP A 11 -3.141 6.054 -3.438 1.00 0.00 C ATOM 0 H TRP A 11 -2.841 0.646 -7.356 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.796 1.283 -4.755 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -4.472 0.296 -5.795 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -4.169 0.602 -4.096 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -5.404 2.295 -7.100 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.436 4.863 -6.848 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.555 2.738 -2.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.323 6.834 -5.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.036 4.975 -1.933 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.911 7.026 -3.026 1.00 0.00 H new ATOM 210 N LEU A 12 -2.154 -1.888 -5.524 1.00 0.00 N ATOM 211 CA LEU A 12 -1.800 -3.266 -5.157 1.00 0.00 C ATOM 212 C LEU A 12 -0.384 -3.375 -4.560 1.00 0.00 C ATOM 213 O LEU A 12 -0.220 -3.948 -3.482 1.00 0.00 O ATOM 214 CB LEU A 12 -2.003 -4.180 -6.388 1.00 0.00 C ATOM 215 CG LEU A 12 -3.133 -5.216 -6.210 1.00 0.00 C ATOM 216 CD1 LEU A 12 -3.952 -5.361 -7.493 1.00 0.00 C ATOM 217 CD2 LEU A 12 -2.563 -6.588 -5.843 1.00 0.00 C ATOM 0 H LEU A 12 -2.513 -1.817 -6.476 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.463 -3.601 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.223 -3.561 -7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.071 -4.704 -6.598 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.774 -4.856 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.741 -6.097 -7.340 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.397 -4.400 -7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.302 -5.689 -8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.379 -7.301 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.897 -6.929 -6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.007 -6.513 -4.909 1.00 0.00 H new ATOM 229 N TRP A 13 0.632 -2.800 -5.221 1.00 0.00 N ATOM 230 CA TRP A 13 1.998 -2.757 -4.678 1.00 0.00 C ATOM 231 C TRP A 13 2.178 -1.678 -3.591 1.00 0.00 C ATOM 232 O TRP A 13 2.990 -1.857 -2.685 1.00 0.00 O ATOM 233 CB TRP A 13 3.034 -2.601 -5.803 1.00 0.00 C ATOM 234 CG TRP A 13 3.166 -1.240 -6.421 1.00 0.00 C ATOM 235 CD1 TRP A 13 2.622 -0.852 -7.596 1.00 0.00 C ATOM 236 CD2 TRP A 13 3.906 -0.080 -5.921 1.00 0.00 C ATOM 237 NE1 TRP A 13 2.935 0.476 -7.833 1.00 0.00 N ATOM 238 CE2 TRP A 13 3.683 1.012 -6.810 1.00 0.00 C ATOM 239 CE3 TRP A 13 4.747 0.164 -4.812 1.00 0.00 C ATOM 240 CZ2 TRP A 13 4.197 2.296 -6.578 1.00 0.00 C ATOM 241 CZ3 TRP A 13 5.311 1.436 -4.596 1.00 0.00 C ATOM 242 CH2 TRP A 13 5.015 2.509 -5.455 1.00 0.00 C ATOM 0 H TRP A 13 0.533 -2.357 -6.135 1.00 0.00 H new ATOM 0 HA TRP A 13 2.170 -3.715 -4.186 1.00 0.00 H new ATOM 0 HB2 TRP A 13 4.008 -2.891 -5.409 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.786 -3.310 -6.593 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.034 -1.480 -8.249 1.00 0.00 H new ATOM 0 HE1 TRP A 13 2.647 0.993 -8.664 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.960 -0.637 -4.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.968 3.108 -7.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 5.979 1.589 -3.761 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.414 3.492 -5.253 1.00 0.00 H new ATOM 253 N TYR A 14 1.409 -0.583 -3.624 1.00 0.00 N ATOM 254 CA TYR A 14 1.476 0.486 -2.617 1.00 0.00 C ATOM 255 C TYR A 14 1.058 -0.001 -1.218 1.00 0.00 C ATOM 256 O TYR A 14 1.690 0.348 -0.223 1.00 0.00 O ATOM 257 CB TYR A 14 0.616 1.678 -3.060 1.00 0.00 C ATOM 258 CG TYR A 14 0.936 2.982 -2.353 1.00 0.00 C ATOM 259 CD1 TYR A 14 0.422 3.245 -1.068 1.00 0.00 C ATOM 260 CD2 TYR A 14 1.749 3.938 -2.994 1.00 0.00 C ATOM 261 CE1 TYR A 14 0.730 4.457 -0.417 1.00 0.00 C ATOM 262 CE2 TYR A 14 2.050 5.154 -2.352 1.00 0.00 C ATOM 263 CZ TYR A 14 1.545 5.416 -1.060 1.00 0.00 C ATOM 264 OH TYR A 14 1.848 6.591 -0.442 1.00 0.00 O ATOM 0 H TYR A 14 0.718 -0.412 -4.354 1.00 0.00 H new ATOM 0 HA TYR A 14 2.516 0.803 -2.540 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.741 1.821 -4.133 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.433 1.436 -2.891 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.209 2.517 -0.581 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.142 3.737 -3.980 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.343 4.652 0.572 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.668 5.887 -2.848 1.00 0.00 H new ATOM 0 HH TYR A 14 2.419 7.131 -1.028 1.00 0.00 H new ATOM 274 N ILE A 15 0.030 -0.854 -1.124 1.00 0.00 N ATOM 275 CA ILE A 15 -0.449 -1.438 0.146 1.00 0.00 C ATOM 276 C ILE A 15 0.656 -2.263 0.843 1.00 0.00 C ATOM 277 O ILE A 15 0.724 -2.291 2.071 1.00 0.00 O ATOM 278 CB ILE A 15 -1.742 -2.257 -0.094 1.00 0.00 C ATOM 279 CG1 ILE A 15 -2.890 -1.376 -0.653 1.00 0.00 C ATOM 280 CG2 ILE A 15 -2.247 -2.918 1.204 1.00 0.00 C ATOM 281 CD1 ILE A 15 -3.871 -2.178 -1.520 1.00 0.00 C ATOM 0 H ILE A 15 -0.503 -1.165 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.698 -0.627 0.831 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.475 -3.022 -0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.431 -0.919 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.467 -0.564 -1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.155 -3.483 0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.482 -3.591 1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.462 -2.148 1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.656 -1.517 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.338 -2.613 -2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.317 -2.974 -0.924 1.00 0.00 H new ATOM 293 N LYS A 16 1.581 -2.879 0.089 1.00 0.00 N ATOM 294 CA LYS A 16 2.747 -3.608 0.630 1.00 0.00 C ATOM 295 C LYS A 16 3.665 -2.684 1.447 1.00 0.00 C ATOM 296 O LYS A 16 4.172 -3.093 2.491 1.00 0.00 O ATOM 297 CB LYS A 16 3.474 -4.313 -0.534 1.00 0.00 C ATOM 298 CG LYS A 16 4.532 -5.366 -0.161 1.00 0.00 C ATOM 299 CD LYS A 16 5.912 -4.775 0.185 1.00 0.00 C ATOM 300 CE LYS A 16 7.017 -5.840 0.218 1.00 0.00 C ATOM 301 NZ LYS A 16 7.520 -6.178 -1.141 1.00 0.00 N ATOM 0 H LYS A 16 1.542 -2.886 -0.930 1.00 0.00 H new ATOM 0 HA LYS A 16 2.413 -4.370 1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.723 -4.794 -1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.956 -3.549 -1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.171 -5.942 0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.645 -6.062 -0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.170 -4.011 -0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.859 -4.281 1.155 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.845 -5.482 0.830 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.634 -6.742 0.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.264 -6.901 -1.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.738 -6.545 -1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.910 -5.324 -1.589 1.00 0.00 H new ATOM 315 N LEU A 17 3.823 -1.421 1.036 1.00 0.00 N ATOM 316 CA LEU A 17 4.598 -0.405 1.768 1.00 0.00 C ATOM 317 C LEU A 17 4.062 -0.196 3.192 1.00 0.00 C ATOM 318 O LEU A 17 4.850 -0.097 4.129 1.00 0.00 O ATOM 319 CB LEU A 17 4.591 0.951 1.035 1.00 0.00 C ATOM 320 CG LEU A 17 4.947 0.929 -0.461 1.00 0.00 C ATOM 321 CD1 LEU A 17 4.722 2.325 -1.045 1.00 0.00 C ATOM 322 CD2 LEU A 17 6.400 0.505 -0.692 1.00 0.00 C ATOM 0 H LEU A 17 3.411 -1.067 0.173 1.00 0.00 H new ATOM 0 HA LEU A 17 5.619 -0.783 1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.599 1.391 1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.291 1.615 1.542 1.00 0.00 H new ATOM 0 HG LEU A 17 4.306 0.199 -0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.972 2.320 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.677 2.608 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.357 3.043 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.613 0.502 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.068 1.206 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.556 -0.495 -0.288 1.00 0.00 H new ATOM 334 N PHE A 18 2.735 -0.176 3.369 1.00 0.00 N ATOM 335 CA PHE A 18 2.090 -0.058 4.682 1.00 0.00 C ATOM 336 C PHE A 18 2.549 -1.167 5.639 1.00 0.00 C ATOM 337 O PHE A 18 2.915 -0.879 6.775 1.00 0.00 O ATOM 338 CB PHE A 18 0.563 -0.051 4.521 1.00 0.00 C ATOM 339 CG PHE A 18 -0.195 0.239 5.803 1.00 0.00 C ATOM 340 CD1 PHE A 18 -0.429 1.569 6.198 1.00 0.00 C ATOM 341 CD2 PHE A 18 -0.670 -0.821 6.601 1.00 0.00 C ATOM 342 CE1 PHE A 18 -1.143 1.840 7.380 1.00 0.00 C ATOM 343 CE2 PHE A 18 -1.382 -0.549 7.784 1.00 0.00 C ATOM 344 CZ PHE A 18 -1.621 0.782 8.171 1.00 0.00 C ATOM 0 H PHE A 18 2.072 -0.242 2.596 1.00 0.00 H new ATOM 0 HA PHE A 18 2.394 0.889 5.128 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.291 0.695 3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.245 -1.019 4.135 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.060 2.384 5.593 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.487 -1.843 6.304 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.324 2.862 7.679 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.745 -1.362 8.395 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.172 0.991 9.076 1.00 0.00 H new ATOM 354 N ILE A 19 2.610 -2.420 5.171 1.00 0.00 N ATOM 355 CA ILE A 19 3.126 -3.562 5.947 1.00 0.00 C ATOM 356 C ILE A 19 4.563 -3.293 6.421 1.00 0.00 C ATOM 357 O ILE A 19 4.873 -3.507 7.593 1.00 0.00 O ATOM 358 CB ILE A 19 3.030 -4.892 5.154 1.00 0.00 C ATOM 359 CG1 ILE A 19 1.598 -5.133 4.616 1.00 0.00 C ATOM 360 CG2 ILE A 19 3.468 -6.069 6.050 1.00 0.00 C ATOM 361 CD1 ILE A 19 1.464 -6.360 3.704 1.00 0.00 C ATOM 0 H ILE A 19 2.300 -2.675 4.233 1.00 0.00 H new ATOM 0 HA ILE A 19 2.494 -3.674 6.828 1.00 0.00 H new ATOM 0 HB ILE A 19 3.698 -4.821 4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.919 -5.247 5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.276 -4.249 4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.398 -7.000 5.487 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.498 -5.917 6.373 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.818 -6.123 6.923 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.430 -6.455 3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.114 -6.242 2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.752 -7.256 4.254 1.00 0.00 H new ATOM 373 N MET A 20 5.438 -2.786 5.543 1.00 0.00 N ATOM 374 CA MET A 20 6.829 -2.454 5.892 1.00 0.00 C ATOM 375 C MET A 20 6.942 -1.272 6.876 1.00 0.00 C ATOM 376 O MET A 20 7.751 -1.332 7.806 1.00 0.00 O ATOM 377 CB MET A 20 7.670 -2.216 4.624 1.00 0.00 C ATOM 378 CG MET A 20 7.672 -3.468 3.733 1.00 0.00 C ATOM 379 SD MET A 20 9.017 -3.604 2.518 1.00 0.00 S ATOM 380 CE MET A 20 8.550 -2.342 1.305 1.00 0.00 C ATOM 0 H MET A 20 5.203 -2.594 4.569 1.00 0.00 H new ATOM 0 HA MET A 20 7.234 -3.319 6.417 1.00 0.00 H new ATOM 0 HB2 MET A 20 7.268 -1.368 4.069 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.692 -1.959 4.902 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.707 -4.345 4.379 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.724 -3.505 3.196 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.238 -2.377 0.460 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.535 -2.532 0.955 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.595 -1.357 1.769 1.00 0.00 H new ATOM 390 N ILE A 21 6.121 -0.225 6.723 1.00 0.00 N ATOM 391 CA ILE A 21 6.069 0.935 7.633 1.00 0.00 C ATOM 392 C ILE A 21 5.573 0.514 9.025 1.00 0.00 C ATOM 393 O ILE A 21 6.271 0.718 10.021 1.00 0.00 O ATOM 394 CB ILE A 21 5.178 2.052 7.028 1.00 0.00 C ATOM 395 CG1 ILE A 21 5.796 2.636 5.736 1.00 0.00 C ATOM 396 CG2 ILE A 21 4.957 3.191 8.041 1.00 0.00 C ATOM 397 CD1 ILE A 21 4.769 3.361 4.853 1.00 0.00 C ATOM 0 H ILE A 21 5.460 -0.156 5.949 1.00 0.00 H new ATOM 0 HA ILE A 21 7.077 1.333 7.751 1.00 0.00 H new ATOM 0 HB ILE A 21 4.220 1.594 6.783 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.592 3.331 6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.255 1.830 5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.329 3.961 7.592 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.466 2.796 8.931 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.919 3.623 8.318 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.264 3.748 3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.985 2.663 4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.328 4.187 5.411 1.00 0.00 H new ATOM 409 N VAL A 22 4.404 -0.132 9.112 1.00 0.00 N ATOM 410 CA VAL A 22 3.838 -0.619 10.383 1.00 0.00 C ATOM 411 C VAL A 22 4.747 -1.665 11.020 1.00 0.00 C ATOM 412 O VAL A 22 4.939 -1.627 12.229 1.00 0.00 O ATOM 413 CB VAL A 22 2.406 -1.159 10.213 1.00 0.00 C ATOM 414 CG1 VAL A 22 1.797 -1.651 11.534 1.00 0.00 C ATOM 415 CG2 VAL A 22 1.483 -0.042 9.701 1.00 0.00 C ATOM 0 H VAL A 22 3.819 -0.334 8.301 1.00 0.00 H new ATOM 0 HA VAL A 22 3.777 0.237 11.055 1.00 0.00 H new ATOM 0 HB VAL A 22 2.480 -1.991 9.513 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.787 -2.020 11.354 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.411 -2.455 11.940 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.760 -0.827 12.247 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.472 -0.431 9.583 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.474 0.780 10.417 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.847 0.319 8.739 1.00 0.00 H new ATOM 425 N GLY A 23 5.395 -2.526 10.232 1.00 0.00 N ATOM 426 CA GLY A 23 6.339 -3.532 10.724 1.00 0.00 C ATOM 427 C GLY A 23 7.519 -2.970 11.539 1.00 0.00 C ATOM 428 O GLY A 23 8.100 -3.698 12.347 1.00 0.00 O ATOM 0 H GLY A 23 5.277 -2.544 9.219 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.796 -4.246 11.343 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.735 -4.085 9.872 1.00 0.00 H new ATOM 432 N GLY A 24 7.855 -1.683 11.367 1.00 0.00 N ATOM 433 CA GLY A 24 8.880 -0.962 12.135 1.00 0.00 C ATOM 434 C GLY A 24 8.324 0.049 13.150 1.00 0.00 C ATOM 435 O GLY A 24 8.997 0.334 14.143 1.00 0.00 O ATOM 0 H GLY A 24 7.405 -1.096 10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.496 -1.688 12.665 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.534 -0.437 11.439 1.00 0.00 H new ATOM 439 N LEU A 25 7.108 0.574 12.947 1.00 0.00 N ATOM 440 CA LEU A 25 6.440 1.504 13.873 1.00 0.00 C ATOM 441 C LEU A 25 5.630 0.808 14.983 1.00 0.00 C ATOM 442 O LEU A 25 5.498 1.367 16.071 1.00 0.00 O ATOM 443 CB LEU A 25 5.536 2.473 13.083 1.00 0.00 C ATOM 444 CG LEU A 25 6.273 3.462 12.155 1.00 0.00 C ATOM 445 CD1 LEU A 25 5.252 4.396 11.503 1.00 0.00 C ATOM 446 CD2 LEU A 25 7.286 4.340 12.896 1.00 0.00 C ATOM 0 H LEU A 25 6.549 0.362 12.120 1.00 0.00 H new ATOM 0 HA LEU A 25 7.234 2.053 14.380 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.842 1.886 12.482 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.938 3.045 13.793 1.00 0.00 H new ATOM 0 HG LEU A 25 6.810 2.859 11.423 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.767 5.097 10.846 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.541 3.809 10.921 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.719 4.949 12.276 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.770 5.013 12.189 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.772 4.924 13.659 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.038 3.708 13.369 1.00 0.00 H new ATOM 458 N VAL A 26 5.123 -0.411 14.762 1.00 0.00 N ATOM 459 CA VAL A 26 4.315 -1.175 15.738 1.00 0.00 C ATOM 460 C VAL A 26 5.080 -1.483 17.032 1.00 0.00 C ATOM 461 O VAL A 26 4.501 -1.470 18.121 1.00 0.00 O ATOM 462 CB VAL A 26 3.754 -2.461 15.087 1.00 0.00 C ATOM 463 CG1 VAL A 26 4.811 -3.544 14.815 1.00 0.00 C ATOM 464 CG2 VAL A 26 2.619 -3.078 15.907 1.00 0.00 C ATOM 0 H VAL A 26 5.262 -0.910 13.883 1.00 0.00 H new ATOM 0 HA VAL A 26 3.477 -0.541 16.029 1.00 0.00 H new ATOM 0 HB VAL A 26 3.373 -2.120 14.124 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.334 -4.411 14.358 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.570 -3.150 14.140 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.279 -3.840 15.754 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.258 -3.978 15.409 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.986 -3.335 16.901 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.803 -2.361 15.996 1.00 0.00 H new ATOM 474 N LYS A 27 6.398 -1.702 16.925 1.00 0.00 N ATOM 475 CA LYS A 27 7.325 -1.949 18.044 1.00 0.00 C ATOM 476 C LYS A 27 7.794 -0.674 18.772 1.00 0.00 C ATOM 477 O LYS A 27 8.419 -0.785 19.828 1.00 0.00 O ATOM 478 CB LYS A 27 8.492 -2.824 17.540 1.00 0.00 C ATOM 479 CG LYS A 27 9.501 -2.111 16.618 1.00 0.00 C ATOM 480 CD LYS A 27 10.750 -1.617 17.369 1.00 0.00 C ATOM 481 CE LYS A 27 11.747 -0.890 16.456 1.00 0.00 C ATOM 482 NZ LYS A 27 11.216 0.410 15.971 1.00 0.00 N ATOM 0 H LYS A 27 6.869 -1.713 16.020 1.00 0.00 H new ATOM 0 HA LYS A 27 6.780 -2.489 18.818 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.029 -3.217 18.403 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.078 -3.679 17.006 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.806 -2.793 15.825 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.012 -1.263 16.139 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.444 -0.946 18.171 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.247 -2.467 17.837 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.678 -0.721 16.998 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.986 -1.525 15.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.972 0.935 15.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.433 0.240 15.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.871 0.967 16.779 1.00 0.00 H new ATOM 496 N LYS A 28 7.471 0.511 18.230 1.00 0.00 N ATOM 497 CA LYS A 28 7.853 1.866 18.687 1.00 0.00 C ATOM 498 C LYS A 28 9.352 1.991 19.026 1.00 0.00 C ATOM 499 O LYS A 28 9.723 2.250 20.194 1.00 0.00 O ATOM 500 CB LYS A 28 6.905 2.318 19.820 1.00 0.00 C ATOM 501 CG LYS A 28 5.421 2.417 19.421 1.00 0.00 C ATOM 502 CD LYS A 28 5.116 3.637 18.540 1.00 0.00 C ATOM 503 CE LYS A 28 3.616 3.683 18.226 1.00 0.00 C ATOM 504 NZ LYS A 28 3.243 4.921 17.491 1.00 0.00 N ATOM 505 OXT LYS A 28 10.157 1.856 18.078 1.00 0.00 O ATOM 0 H LYS A 28 6.889 0.555 17.393 1.00 0.00 H new ATOM 0 HA LYS A 28 7.724 2.562 17.859 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.997 1.619 20.652 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.234 3.291 20.183 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.132 1.510 18.889 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.811 2.465 20.323 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.419 4.551 19.050 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.690 3.583 17.615 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.342 2.811 17.632 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.048 3.627 19.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.221 4.915 17.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.481 5.753 18.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.766 4.962 16.593 1.00 0.00 H new TER 519 LYS A 28