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 X(o=0,f=-0.36) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.734 K(o=0.73,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 -11.883 4.408 -9.626 1.00 0.00 N ATOM 2 CA LYS A 1 -13.053 3.833 -10.350 1.00 0.00 C ATOM 3 C LYS A 1 -12.938 4.001 -11.874 1.00 0.00 C ATOM 4 O LYS A 1 -12.739 3.005 -12.569 1.00 0.00 O ATOM 5 CB LYS A 1 -14.399 4.321 -9.756 1.00 0.00 C ATOM 6 CG LYS A 1 -15.565 3.394 -10.151 1.00 0.00 C ATOM 7 CD LYS A 1 -16.828 3.609 -9.293 1.00 0.00 C ATOM 8 CE LYS A 1 -17.753 4.733 -9.783 1.00 0.00 C ATOM 9 NZ LYS A 1 -18.553 4.318 -10.968 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.006 4.271 -8.603 1.00 0.00 H new ATOM 0 H2 LYS A 1 -11.013 3.930 -9.937 1.00 0.00 H new ATOM 0 H3 LYS A 1 -11.812 5.425 -9.833 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.041 2.755 -10.187 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -14.322 4.367 -8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -14.605 5.333 -10.104 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -15.813 3.559 -11.199 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -15.243 2.357 -10.059 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -17.394 2.678 -9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -16.523 3.828 -8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -18.425 5.027 -8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -17.156 5.609 -10.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -19.164 5.105 -11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -17.913 4.061 -11.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -19.142 3.498 -10.719 1.00 0.00 H new ATOM 25 N LYS A 2 -13.044 5.230 -12.417 1.00 0.00 N ATOM 26 CA LYS A 2 -13.032 5.506 -13.877 1.00 0.00 C ATOM 27 C LYS A 2 -11.637 5.718 -14.501 1.00 0.00 C ATOM 28 O LYS A 2 -11.510 5.644 -15.726 1.00 0.00 O ATOM 29 CB LYS A 2 -13.949 6.705 -14.199 1.00 0.00 C ATOM 30 CG LYS A 2 -15.423 6.472 -13.805 1.00 0.00 C ATOM 31 CD LYS A 2 -15.891 7.314 -12.604 1.00 0.00 C ATOM 32 CE LYS A 2 -16.059 8.792 -12.990 1.00 0.00 C ATOM 33 NZ LYS A 2 -16.547 9.607 -11.845 1.00 0.00 N ATOM 0 H LYS A 2 -13.142 6.073 -11.851 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.410 4.594 -14.339 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.577 7.588 -13.679 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.895 6.918 -15.267 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.057 6.697 -14.662 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.564 5.416 -13.572 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.838 6.924 -12.230 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.168 7.228 -11.793 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.105 9.188 -13.338 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.760 8.874 -13.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.648 10.598 -12.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.469 9.244 -11.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.865 9.549 -11.062 1.00 0.00 H new ATOM 47 N LYS A 3 -10.595 5.972 -13.692 1.00 0.00 N ATOM 48 CA LYS A 3 -9.186 6.093 -14.138 1.00 0.00 C ATOM 49 C LYS A 3 -8.615 4.751 -14.642 1.00 0.00 C ATOM 50 O LYS A 3 -9.255 3.705 -14.512 1.00 0.00 O ATOM 51 CB LYS A 3 -8.311 6.684 -13.003 1.00 0.00 C ATOM 52 CG LYS A 3 -7.400 7.822 -13.505 1.00 0.00 C ATOM 53 CD LYS A 3 -8.058 9.208 -13.380 1.00 0.00 C ATOM 54 CE LYS A 3 -7.773 9.837 -12.003 1.00 0.00 C ATOM 55 NZ LYS A 3 -9.003 10.310 -11.314 1.00 0.00 N ATOM 0 H LYS A 3 -10.705 6.103 -12.686 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.167 6.777 -14.986 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.955 7.060 -12.208 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.698 5.894 -12.570 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.469 7.814 -12.938 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.140 7.640 -14.548 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.684 9.863 -14.167 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -9.134 9.117 -13.526 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.269 9.104 -11.373 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.088 10.676 -12.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.749 10.723 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.473 11.030 -11.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.649 9.508 -11.167 1.00 0.00 H new ATOM 69 N ASN A 4 -7.393 4.765 -15.184 1.00 0.00 N ATOM 70 CA ASN A 4 -6.678 3.555 -15.616 1.00 0.00 C ATOM 71 C ASN A 4 -6.460 2.576 -14.446 1.00 0.00 C ATOM 72 O ASN A 4 -5.979 2.968 -13.381 1.00 0.00 O ATOM 73 CB ASN A 4 -5.325 3.938 -16.250 1.00 0.00 C ATOM 74 CG ASN A 4 -5.451 4.634 -17.597 1.00 0.00 C ATOM 75 OD1 ASN A 4 -6.302 4.321 -18.419 1.00 0.00 O ATOM 76 ND2 ASN A 4 -4.593 5.587 -17.881 1.00 0.00 N ATOM 0 H ASN A 4 -6.865 5.624 -15.338 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.295 3.050 -16.360 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.785 4.591 -15.564 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.724 3.037 -16.372 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.638 6.062 -18.783 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.882 5.852 -17.200 1.00 0.00 H new ATOM 83 N TRP A 5 -6.758 1.290 -14.659 1.00 0.00 N ATOM 84 CA TRP A 5 -6.605 0.220 -13.657 1.00 0.00 C ATOM 85 C TRP A 5 -5.182 0.118 -13.076 1.00 0.00 C ATOM 86 O TRP A 5 -5.020 -0.223 -11.905 1.00 0.00 O ATOM 87 CB TRP A 5 -7.032 -1.121 -14.275 1.00 0.00 C ATOM 88 CG TRP A 5 -6.071 -1.704 -15.271 1.00 0.00 C ATOM 89 CD1 TRP A 5 -5.955 -1.342 -16.570 1.00 0.00 C ATOM 90 CD2 TRP A 5 -5.060 -2.737 -15.051 1.00 0.00 C ATOM 91 NE1 TRP A 5 -4.931 -2.060 -17.159 1.00 0.00 N ATOM 92 CE2 TRP A 5 -4.342 -2.932 -16.269 1.00 0.00 C ATOM 93 CE3 TRP A 5 -4.673 -3.528 -13.946 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -3.289 -3.853 -16.384 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -3.622 -4.460 -14.050 1.00 0.00 C ATOM 96 CH2 TRP A 5 -2.928 -4.622 -15.263 1.00 0.00 C ATOM 0 H TRP A 5 -7.120 0.953 -15.551 1.00 0.00 H new ATOM 0 HA TRP A 5 -7.251 0.474 -12.817 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -7.178 -1.842 -13.471 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -7.998 -0.986 -14.762 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -6.568 -0.606 -17.069 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -4.646 -1.957 -18.133 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -5.192 -3.416 -13.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -2.763 -3.970 -17.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.347 -5.055 -13.192 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -2.120 -5.335 -15.333 1.00 0.00 H new ATOM 107 N PHE A 6 -4.164 0.484 -13.863 1.00 0.00 N ATOM 108 CA PHE A 6 -2.748 0.541 -13.476 1.00 0.00 C ATOM 109 C PHE A 6 -2.479 1.478 -12.279 1.00 0.00 C ATOM 110 O PHE A 6 -1.569 1.242 -11.484 1.00 0.00 O ATOM 111 CB PHE A 6 -1.922 0.962 -14.707 1.00 0.00 C ATOM 112 CG PHE A 6 -0.700 0.101 -14.961 1.00 0.00 C ATOM 113 CD1 PHE A 6 0.521 0.388 -14.321 1.00 0.00 C ATOM 114 CD2 PHE A 6 -0.782 -0.985 -15.855 1.00 0.00 C ATOM 115 CE1 PHE A 6 1.656 -0.402 -14.582 1.00 0.00 C ATOM 116 CE2 PHE A 6 0.353 -1.773 -16.117 1.00 0.00 C ATOM 117 CZ PHE A 6 1.573 -1.481 -15.481 1.00 0.00 C ATOM 0 H PHE A 6 -4.311 0.762 -14.833 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.449 -0.451 -13.138 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.563 0.932 -15.588 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.603 1.997 -14.580 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.586 1.215 -13.629 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.719 -1.213 -16.341 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.592 -0.180 -14.091 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.288 -2.602 -16.806 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.446 -2.085 -15.683 1.00 0.00 H new ATOM 127 N ASP A 7 -3.263 2.552 -12.132 1.00 0.00 N ATOM 128 CA ASP A 7 -3.189 3.465 -10.985 1.00 0.00 C ATOM 129 C ASP A 7 -3.953 2.899 -9.773 1.00 0.00 C ATOM 130 O ASP A 7 -3.539 3.087 -8.630 1.00 0.00 O ATOM 131 CB ASP A 7 -3.743 4.845 -11.374 1.00 0.00 C ATOM 132 CG ASP A 7 -2.783 5.602 -12.306 1.00 0.00 C ATOM 133 OD1 ASP A 7 -1.853 6.272 -11.795 1.00 0.00 O ATOM 134 OD2 ASP A 7 -2.958 5.545 -13.546 1.00 0.00 O ATOM 0 H ASP A 7 -3.975 2.815 -12.814 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.142 3.571 -10.699 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.708 4.724 -11.866 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.916 5.434 -10.474 1.00 0.00 H new ATOM 139 N ILE A 8 -5.047 2.166 -10.008 1.00 0.00 N ATOM 140 CA ILE A 8 -5.881 1.538 -8.968 1.00 0.00 C ATOM 141 C ILE A 8 -5.161 0.362 -8.287 1.00 0.00 C ATOM 142 O ILE A 8 -5.228 0.222 -7.064 1.00 0.00 O ATOM 143 CB ILE A 8 -7.249 1.113 -9.553 1.00 0.00 C ATOM 144 CG1 ILE A 8 -7.950 2.241 -10.351 1.00 0.00 C ATOM 145 CG2 ILE A 8 -8.188 0.598 -8.449 1.00 0.00 C ATOM 146 CD1 ILE A 8 -8.132 3.572 -9.605 1.00 0.00 C ATOM 0 H ILE A 8 -5.389 1.986 -10.952 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.063 2.281 -8.191 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.033 0.307 -10.254 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.376 2.430 -11.258 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.931 1.884 -10.663 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.142 0.307 -8.889 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.736 -0.264 -7.960 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.353 1.386 -7.715 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.632 4.289 -10.256 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.736 3.409 -8.712 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.157 3.964 -9.316 1.00 0.00 H new ATOM 158 N THR A 9 -4.417 -0.460 -9.037 1.00 0.00 N ATOM 159 CA THR A 9 -3.603 -1.552 -8.465 1.00 0.00 C ATOM 160 C THR A 9 -2.513 -1.040 -7.519 1.00 0.00 C ATOM 161 O THR A 9 -2.223 -1.699 -6.522 1.00 0.00 O ATOM 162 CB THR A 9 -2.956 -2.437 -9.538 1.00 0.00 C ATOM 163 OG1 THR A 9 -2.255 -1.656 -10.479 1.00 0.00 O ATOM 164 CG2 THR A 9 -3.999 -3.269 -10.280 1.00 0.00 C ATOM 0 H THR A 9 -4.359 -0.392 -10.053 1.00 0.00 H new ATOM 0 HA THR A 9 -4.310 -2.155 -7.896 1.00 0.00 H new ATOM 0 HB THR A 9 -2.265 -3.103 -9.022 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.850 -2.241 -11.153 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.506 -3.884 -11.033 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.522 -3.912 -9.572 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.715 -2.606 -10.766 1.00 0.00 H new ATOM 172 N ASN A 10 -1.953 0.152 -7.764 1.00 0.00 N ATOM 173 CA ASN A 10 -0.980 0.786 -6.869 1.00 0.00 C ATOM 174 C ASN A 10 -1.582 1.075 -5.476 1.00 0.00 C ATOM 175 O ASN A 10 -0.911 0.851 -4.466 1.00 0.00 O ATOM 176 CB ASN A 10 -0.395 2.047 -7.535 1.00 0.00 C ATOM 177 CG ASN A 10 0.818 1.725 -8.395 1.00 0.00 C ATOM 178 OD1 ASN A 10 1.952 1.763 -7.936 1.00 0.00 O ATOM 179 ND2 ASN A 10 0.650 1.392 -9.654 1.00 0.00 N ATOM 0 H ASN A 10 -2.165 0.706 -8.594 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.160 0.089 -6.698 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.160 2.521 -8.150 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -0.114 2.766 -6.766 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.458 1.169 -10.235 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.289 1.356 -10.051 1.00 0.00 H new ATOM 186 N TRP A 11 -2.848 1.512 -5.397 1.00 0.00 N ATOM 187 CA TRP A 11 -3.555 1.714 -4.120 1.00 0.00 C ATOM 188 C TRP A 11 -3.743 0.393 -3.363 1.00 0.00 C ATOM 189 O TRP A 11 -3.461 0.320 -2.168 1.00 0.00 O ATOM 190 CB TRP A 11 -4.908 2.401 -4.344 1.00 0.00 C ATOM 191 CG TRP A 11 -4.827 3.866 -4.636 1.00 0.00 C ATOM 192 CD1 TRP A 11 -4.851 4.433 -5.862 1.00 0.00 C ATOM 193 CD2 TRP A 11 -4.706 4.969 -3.686 1.00 0.00 C ATOM 194 NE1 TRP A 11 -4.732 5.805 -5.741 1.00 0.00 N ATOM 195 CE2 TRP A 11 -4.653 6.192 -4.419 1.00 0.00 C ATOM 196 CE3 TRP A 11 -4.639 5.059 -2.277 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -4.541 7.441 -3.789 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -4.529 6.308 -1.634 1.00 0.00 C ATOM 199 CH2 TRP A 11 -4.480 7.496 -2.385 1.00 0.00 C ATOM 0 H TRP A 11 -3.412 1.736 -6.217 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.934 2.365 -3.505 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -5.418 1.908 -5.172 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.525 2.255 -3.457 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.948 3.896 -6.794 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.706 6.450 -6.530 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -4.673 4.157 -1.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.502 8.348 -4.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.482 6.353 -0.556 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.396 8.449 -1.884 1.00 0.00 H new ATOM 210 N LEU A 12 -4.174 -0.670 -4.053 1.00 0.00 N ATOM 211 CA LEU A 12 -4.300 -2.020 -3.487 1.00 0.00 C ATOM 212 C LEU A 12 -2.961 -2.570 -2.968 1.00 0.00 C ATOM 213 O LEU A 12 -2.913 -3.138 -1.876 1.00 0.00 O ATOM 214 CB LEU A 12 -4.934 -2.951 -4.539 1.00 0.00 C ATOM 215 CG LEU A 12 -6.472 -2.968 -4.435 1.00 0.00 C ATOM 216 CD1 LEU A 12 -7.121 -3.030 -5.815 1.00 0.00 C ATOM 217 CD2 LEU A 12 -6.940 -4.175 -3.618 1.00 0.00 C ATOM 0 H LEU A 12 -4.449 -0.617 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.951 -1.969 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.641 -2.625 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.550 -3.963 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.773 -2.044 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.206 -3.041 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.823 -2.158 -6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.799 -3.936 -6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.028 -4.172 -3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.608 -5.093 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.518 -4.121 -2.615 1.00 0.00 H new ATOM 229 N TRP A 13 -1.863 -2.364 -3.701 1.00 0.00 N ATOM 230 CA TRP A 13 -0.521 -2.756 -3.258 1.00 0.00 C ATOM 231 C TRP A 13 -0.077 -2.008 -1.986 1.00 0.00 C ATOM 232 O TRP A 13 0.571 -2.595 -1.118 1.00 0.00 O ATOM 233 CB TRP A 13 0.487 -2.585 -4.411 1.00 0.00 C ATOM 234 CG TRP A 13 1.462 -3.715 -4.569 1.00 0.00 C ATOM 235 CD1 TRP A 13 1.114 -4.999 -4.819 1.00 0.00 C ATOM 236 CD2 TRP A 13 2.925 -3.697 -4.524 1.00 0.00 C ATOM 237 NE1 TRP A 13 2.251 -5.781 -4.904 1.00 0.00 N ATOM 238 CE2 TRP A 13 3.394 -5.032 -4.728 1.00 0.00 C ATOM 239 CE3 TRP A 13 3.908 -2.698 -4.344 1.00 0.00 C ATOM 240 CZ2 TRP A 13 4.757 -5.363 -4.729 1.00 0.00 C ATOM 241 CZ3 TRP A 13 5.281 -3.018 -4.349 1.00 0.00 C ATOM 242 CH2 TRP A 13 5.707 -4.345 -4.534 1.00 0.00 C ATOM 0 H TRP A 13 -1.879 -1.920 -4.619 1.00 0.00 H new ATOM 0 HA TRP A 13 -0.554 -3.810 -2.984 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -0.066 -2.468 -5.343 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.045 -1.662 -4.253 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.102 -5.358 -4.935 1.00 0.00 H new ATOM 0 HE1 TRP A 13 2.244 -6.786 -5.076 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.602 -1.672 -4.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.072 -6.385 -4.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.013 -2.236 -4.209 1.00 0.00 H new ATOM 0 HH2 TRP A 13 6.761 -4.582 -4.526 1.00 0.00 H new ATOM 253 N TYR A 14 -0.476 -0.740 -1.821 1.00 0.00 N ATOM 254 CA TYR A 14 -0.076 0.104 -0.684 1.00 0.00 C ATOM 255 C TYR A 14 -0.622 -0.405 0.668 1.00 0.00 C ATOM 256 O TYR A 14 -0.011 -0.188 1.716 1.00 0.00 O ATOM 257 CB TYR A 14 -0.512 1.556 -0.941 1.00 0.00 C ATOM 258 CG TYR A 14 0.055 2.555 0.052 1.00 0.00 C ATOM 259 CD1 TYR A 14 1.315 3.143 -0.181 1.00 0.00 C ATOM 260 CD2 TYR A 14 -0.667 2.884 1.218 1.00 0.00 C ATOM 261 CE1 TYR A 14 1.853 4.054 0.749 1.00 0.00 C ATOM 262 CE2 TYR A 14 -0.128 3.788 2.156 1.00 0.00 C ATOM 263 CZ TYR A 14 1.134 4.376 1.923 1.00 0.00 C ATOM 264 OH TYR A 14 1.665 5.251 2.821 1.00 0.00 O ATOM 0 H TYR A 14 -1.093 -0.265 -2.480 1.00 0.00 H new ATOM 0 HA TYR A 14 1.010 0.055 -0.607 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.205 1.844 -1.946 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.600 1.608 -0.912 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.869 2.894 -1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.637 2.442 1.393 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.816 4.507 0.565 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.680 4.030 3.052 1.00 0.00 H new ATOM 0 HH TYR A 14 1.046 5.365 3.572 1.00 0.00 H new ATOM 274 N ILE A 15 -1.740 -1.139 0.657 1.00 0.00 N ATOM 275 CA ILE A 15 -2.365 -1.740 1.848 1.00 0.00 C ATOM 276 C ILE A 15 -1.383 -2.694 2.557 1.00 0.00 C ATOM 277 O ILE A 15 -1.184 -2.599 3.769 1.00 0.00 O ATOM 278 CB ILE A 15 -3.691 -2.441 1.463 1.00 0.00 C ATOM 279 CG1 ILE A 15 -4.685 -1.459 0.793 1.00 0.00 C ATOM 280 CG2 ILE A 15 -4.350 -3.063 2.709 1.00 0.00 C ATOM 281 CD1 ILE A 15 -5.798 -2.174 0.021 1.00 0.00 C ATOM 0 H ILE A 15 -2.252 -1.339 -0.202 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.609 -0.950 2.559 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.447 -3.225 0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.131 -0.823 1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.139 -0.805 0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.281 -3.552 2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.675 -3.797 3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.561 -2.281 3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.463 -1.435 -0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.359 -2.789 -0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.365 -2.807 0.703 1.00 0.00 H new ATOM 293 N LYS A 16 -0.728 -3.591 1.805 1.00 0.00 N ATOM 294 CA LYS A 16 0.321 -4.500 2.314 1.00 0.00 C ATOM 295 C LYS A 16 1.621 -3.765 2.667 1.00 0.00 C ATOM 296 O LYS A 16 2.296 -4.151 3.622 1.00 0.00 O ATOM 297 CB LYS A 16 0.548 -5.638 1.299 1.00 0.00 C ATOM 298 CG LYS A 16 -0.161 -6.939 1.726 1.00 0.00 C ATOM 299 CD LYS A 16 0.795 -7.890 2.462 1.00 0.00 C ATOM 300 CE LYS A 16 0.051 -9.135 2.965 1.00 0.00 C ATOM 301 NZ LYS A 16 0.955 -10.313 3.069 1.00 0.00 N ATOM 0 H LYS A 16 -0.912 -3.711 0.809 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.025 -4.932 3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.182 -5.330 0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.617 -5.824 1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.005 -6.699 2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.566 -7.439 0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.602 -8.189 1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.254 -7.371 3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.389 -8.927 3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.771 -9.366 2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.417 -11.134 3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.355 -10.527 2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.725 -10.102 3.735 1.00 0.00 H new ATOM 315 N LEU A 17 1.958 -2.686 1.953 1.00 0.00 N ATOM 316 CA LEU A 17 3.120 -1.835 2.257 1.00 0.00 C ATOM 317 C LEU A 17 2.995 -1.212 3.655 1.00 0.00 C ATOM 318 O LEU A 17 3.985 -1.174 4.377 1.00 0.00 O ATOM 319 CB LEU A 17 3.286 -0.736 1.192 1.00 0.00 C ATOM 320 CG LEU A 17 4.235 -1.054 0.025 1.00 0.00 C ATOM 321 CD1 LEU A 17 4.048 -2.440 -0.593 1.00 0.00 C ATOM 322 CD2 LEU A 17 4.089 0.010 -1.064 1.00 0.00 C ATOM 0 H LEU A 17 1.428 -2.373 1.139 1.00 0.00 H new ATOM 0 HA LEU A 17 4.009 -2.466 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.303 -0.507 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.643 0.168 1.686 1.00 0.00 H new ATOM 0 HG LEU A 17 5.237 -1.049 0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.760 -2.574 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.218 -3.203 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.033 -2.532 -0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.763 -0.219 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.061 0.020 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.338 0.988 -0.653 1.00 0.00 H new ATOM 334 N PHE A 18 1.800 -0.778 4.076 1.00 0.00 N ATOM 335 CA PHE A 18 1.566 -0.267 5.435 1.00 0.00 C ATOM 336 C PHE A 18 1.994 -1.285 6.507 1.00 0.00 C ATOM 337 O PHE A 18 2.709 -0.928 7.444 1.00 0.00 O ATOM 338 CB PHE A 18 0.091 0.129 5.606 1.00 0.00 C ATOM 339 CG PHE A 18 -0.256 0.641 6.995 1.00 0.00 C ATOM 340 CD1 PHE A 18 -0.101 2.006 7.308 1.00 0.00 C ATOM 341 CD2 PHE A 18 -0.724 -0.250 7.982 1.00 0.00 C ATOM 342 CE1 PHE A 18 -0.425 2.478 8.594 1.00 0.00 C ATOM 343 CE2 PHE A 18 -1.038 0.221 9.270 1.00 0.00 C ATOM 344 CZ PHE A 18 -0.901 1.587 9.572 1.00 0.00 C ATOM 0 H PHE A 18 0.968 -0.771 3.486 1.00 0.00 H new ATOM 0 HA PHE A 18 2.183 0.621 5.572 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.155 0.899 4.875 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.535 -0.735 5.382 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.267 2.692 6.559 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.842 -1.298 7.749 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.308 3.525 8.830 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.384 -0.467 10.027 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.161 1.952 10.555 1.00 0.00 H new ATOM 354 N ILE A 19 1.619 -2.561 6.346 1.00 0.00 N ATOM 355 CA ILE A 19 2.015 -3.657 7.246 1.00 0.00 C ATOM 356 C ILE A 19 3.544 -3.813 7.277 1.00 0.00 C ATOM 357 O ILE A 19 4.120 -3.954 8.353 1.00 0.00 O ATOM 358 CB ILE A 19 1.318 -4.991 6.871 1.00 0.00 C ATOM 359 CG1 ILE A 19 -0.222 -4.837 6.813 1.00 0.00 C ATOM 360 CG2 ILE A 19 1.696 -6.087 7.890 1.00 0.00 C ATOM 361 CD1 ILE A 19 -0.944 -6.043 6.197 1.00 0.00 C ATOM 0 H ILE A 19 1.024 -2.867 5.577 1.00 0.00 H new ATOM 0 HA ILE A 19 1.682 -3.395 8.250 1.00 0.00 H new ATOM 0 HB ILE A 19 1.663 -5.278 5.878 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.600 -4.677 7.823 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.467 -3.945 6.236 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.203 -7.021 7.620 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.776 -6.232 7.884 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.376 -5.783 8.887 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.018 -5.860 6.191 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.596 -6.192 5.175 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.731 -6.935 6.787 1.00 0.00 H new ATOM 373 N MET A 20 4.220 -3.745 6.124 1.00 0.00 N ATOM 374 CA MET A 20 5.689 -3.801 6.037 1.00 0.00 C ATOM 375 C MET A 20 6.374 -2.601 6.721 1.00 0.00 C ATOM 376 O MET A 20 7.322 -2.790 7.487 1.00 0.00 O ATOM 377 CB MET A 20 6.130 -3.922 4.568 1.00 0.00 C ATOM 378 CG MET A 20 5.685 -5.251 3.935 1.00 0.00 C ATOM 379 SD MET A 20 7.037 -6.362 3.444 1.00 0.00 S ATOM 380 CE MET A 20 7.595 -5.534 1.928 1.00 0.00 C ATOM 0 H MET A 20 3.762 -3.649 5.217 1.00 0.00 H new ATOM 0 HA MET A 20 6.010 -4.689 6.581 1.00 0.00 H new ATOM 0 HB2 MET A 20 5.714 -3.092 3.996 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.215 -3.839 4.508 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.043 -5.776 4.643 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.078 -5.032 3.056 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.427 -6.090 1.495 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.774 -5.494 1.212 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.920 -4.521 2.165 1.00 0.00 H new ATOM 390 N ILE A 21 5.896 -1.374 6.478 1.00 0.00 N ATOM 391 CA ILE A 21 6.441 -0.129 7.044 1.00 0.00 C ATOM 392 C ILE A 21 6.247 -0.095 8.569 1.00 0.00 C ATOM 393 O ILE A 21 7.220 0.019 9.316 1.00 0.00 O ATOM 394 CB ILE A 21 5.779 1.097 6.361 1.00 0.00 C ATOM 395 CG1 ILE A 21 6.164 1.190 4.864 1.00 0.00 C ATOM 396 CG2 ILE A 21 6.169 2.413 7.062 1.00 0.00 C ATOM 397 CD1 ILE A 21 5.207 2.069 4.044 1.00 0.00 C ATOM 0 H ILE A 21 5.097 -1.213 5.865 1.00 0.00 H new ATOM 0 HA ILE A 21 7.513 -0.090 6.850 1.00 0.00 H new ATOM 0 HB ILE A 21 4.702 0.953 6.444 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.175 1.589 4.780 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.181 0.187 4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.688 3.251 6.557 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.845 2.381 8.102 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.251 2.539 7.023 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.534 2.091 3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.199 1.658 4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.208 3.082 4.447 1.00 0.00 H new ATOM 409 N VAL A 22 5.013 -0.264 9.057 1.00 0.00 N ATOM 410 CA VAL A 22 4.705 -0.246 10.499 1.00 0.00 C ATOM 411 C VAL A 22 5.284 -1.468 11.200 1.00 0.00 C ATOM 412 O VAL A 22 5.788 -1.334 12.309 1.00 0.00 O ATOM 413 CB VAL A 22 3.194 -0.126 10.760 1.00 0.00 C ATOM 414 CG1 VAL A 22 2.859 -0.059 12.257 1.00 0.00 C ATOM 415 CG2 VAL A 22 2.661 1.170 10.132 1.00 0.00 C ATOM 0 H VAL A 22 4.196 -0.418 8.466 1.00 0.00 H new ATOM 0 HA VAL A 22 5.179 0.641 10.918 1.00 0.00 H new ATOM 0 HB VAL A 22 2.736 -1.014 10.325 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.780 0.025 12.385 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.213 -0.964 12.750 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.346 0.810 12.700 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.590 1.251 10.319 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.173 2.025 10.573 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.841 1.154 9.057 1.00 0.00 H new ATOM 425 N GLY A 23 5.328 -2.632 10.550 1.00 0.00 N ATOM 426 CA GLY A 23 5.943 -3.841 11.103 1.00 0.00 C ATOM 427 C GLY A 23 7.424 -3.669 11.489 1.00 0.00 C ATOM 428 O GLY A 23 7.915 -4.376 12.371 1.00 0.00 O ATOM 0 H GLY A 23 4.935 -2.764 9.618 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.382 -4.151 11.985 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.859 -4.646 10.372 1.00 0.00 H new ATOM 432 N GLY A 24 8.123 -2.711 10.866 1.00 0.00 N ATOM 433 CA GLY A 24 9.508 -2.332 11.173 1.00 0.00 C ATOM 434 C GLY A 24 9.642 -1.051 12.014 1.00 0.00 C ATOM 435 O GLY A 24 10.633 -0.904 12.728 1.00 0.00 O ATOM 0 H GLY A 24 7.725 -2.159 10.107 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.988 -3.154 11.705 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.051 -2.197 10.238 1.00 0.00 H new ATOM 439 N LEU A 25 8.665 -0.135 11.970 1.00 0.00 N ATOM 440 CA LEU A 25 8.680 1.133 12.723 1.00 0.00 C ATOM 441 C LEU A 25 7.970 1.079 14.090 1.00 0.00 C ATOM 442 O LEU A 25 8.261 1.909 14.953 1.00 0.00 O ATOM 443 CB LEU A 25 8.091 2.265 11.857 1.00 0.00 C ATOM 444 CG LEU A 25 8.923 2.644 10.615 1.00 0.00 C ATOM 445 CD1 LEU A 25 8.227 3.787 9.874 1.00 0.00 C ATOM 446 CD2 LEU A 25 10.338 3.117 10.964 1.00 0.00 C ATOM 0 H LEU A 25 7.827 -0.253 11.401 1.00 0.00 H new ATOM 0 HA LEU A 25 9.728 1.331 12.951 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.094 1.969 11.530 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.972 3.152 12.479 1.00 0.00 H new ATOM 0 HG LEU A 25 9.002 1.744 10.005 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.811 4.059 8.995 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.232 3.467 9.564 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.142 4.650 10.534 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.874 3.369 10.049 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.280 3.997 11.604 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.869 2.322 11.488 1.00 0.00 H new ATOM 458 N VAL A 26 7.084 0.107 14.334 1.00 0.00 N ATOM 459 CA VAL A 26 6.365 -0.071 15.615 1.00 0.00 C ATOM 460 C VAL A 26 7.314 -0.395 16.780 1.00 0.00 C ATOM 461 O VAL A 26 7.097 0.044 17.912 1.00 0.00 O ATOM 462 CB VAL A 26 5.255 -1.136 15.467 1.00 0.00 C ATOM 463 CG1 VAL A 26 5.773 -2.578 15.339 1.00 0.00 C ATOM 464 CG2 VAL A 26 4.241 -1.075 16.610 1.00 0.00 C ATOM 0 H VAL A 26 6.837 -0.596 13.637 1.00 0.00 H new ATOM 0 HA VAL A 26 5.895 0.881 15.863 1.00 0.00 H new ATOM 0 HB VAL A 26 4.770 -0.877 14.526 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.929 -3.260 15.239 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.411 -2.659 14.459 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.347 -2.839 16.228 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.480 -1.842 16.463 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.751 -1.247 17.558 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.768 -0.093 16.625 1.00 0.00 H new ATOM 474 N LYS A 27 8.390 -1.140 16.491 1.00 0.00 N ATOM 475 CA LYS A 27 9.436 -1.568 17.438 1.00 0.00 C ATOM 476 C LYS A 27 10.557 -0.533 17.641 1.00 0.00 C ATOM 477 O LYS A 27 11.200 -0.534 18.693 1.00 0.00 O ATOM 478 CB LYS A 27 10.005 -2.916 16.952 1.00 0.00 C ATOM 479 CG LYS A 27 10.928 -2.758 15.728 1.00 0.00 C ATOM 480 CD LYS A 27 11.092 -4.024 14.886 1.00 0.00 C ATOM 481 CE LYS A 27 11.642 -5.209 15.692 1.00 0.00 C ATOM 482 NZ LYS A 27 11.833 -6.408 14.832 1.00 0.00 N ATOM 0 H LYS A 27 8.566 -1.478 15.545 1.00 0.00 H new ATOM 0 HA LYS A 27 8.975 -1.673 18.420 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.560 -3.387 17.764 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.182 -3.584 16.699 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.535 -1.964 15.093 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.911 -2.435 16.070 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.127 -4.298 14.459 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.762 -3.816 14.052 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.592 -4.931 16.148 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.956 -5.448 16.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.206 -7.191 15.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.921 -6.686 14.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.506 -6.186 14.071 1.00 0.00 H new ATOM 496 N LYS A 28 10.812 0.310 16.629 1.00 0.00 N ATOM 497 CA LYS A 28 11.898 1.307 16.584 1.00 0.00 C ATOM 498 C LYS A 28 11.769 2.391 17.669 1.00 0.00 C ATOM 499 O LYS A 28 10.652 2.917 17.884 1.00 0.00 O ATOM 500 CB LYS A 28 12.001 1.931 15.173 1.00 0.00 C ATOM 501 CG LYS A 28 12.920 1.128 14.235 1.00 0.00 C ATOM 502 CD LYS A 28 14.407 1.380 14.548 1.00 0.00 C ATOM 503 CE LYS A 28 15.331 0.372 13.850 1.00 0.00 C ATOM 504 NZ LYS A 28 15.922 0.906 12.595 1.00 0.00 N ATOM 505 OXT LYS A 28 12.803 2.721 18.292 1.00 0.00 O ATOM 0 H LYS A 28 10.244 0.318 15.782 1.00 0.00 H new ATOM 0 HA LYS A 28 12.825 0.776 16.802 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.005 1.993 14.734 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.376 2.951 15.258 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.702 0.065 14.333 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.714 1.402 13.200 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.675 2.390 14.237 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.563 1.326 15.625 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.133 0.088 14.532 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.769 -0.534 13.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.536 0.185 12.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.161 1.152 11.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.483 1.755 12.809 1.00 0.00 H new TER 519 LYS A 28