USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=3 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+ 161:sc= 0 (180deg=-0.28) 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= 0.36 X(o=0.36,f=0) 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 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 -13.396 10.282 -14.836 1.00 0.00 N ATOM 2 CA LYS A 1 -14.362 9.195 -15.181 1.00 0.00 C ATOM 3 C LYS A 1 -13.684 7.886 -15.622 1.00 0.00 C ATOM 4 O LYS A 1 -13.968 6.838 -15.040 1.00 0.00 O ATOM 5 CB LYS A 1 -15.496 9.658 -16.133 1.00 0.00 C ATOM 6 CG LYS A 1 -15.063 10.164 -17.525 1.00 0.00 C ATOM 7 CD LYS A 1 -16.223 10.661 -18.411 1.00 0.00 C ATOM 8 CE LYS A 1 -16.935 9.553 -19.209 1.00 0.00 C ATOM 9 NZ LYS A 1 -18.013 8.873 -18.442 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.920 11.133 -14.548 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.786 9.969 -14.054 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.809 10.501 -15.666 1.00 0.00 H new ATOM 0 HA LYS A 1 -14.861 8.950 -14.243 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -16.186 8.826 -16.272 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -16.053 10.454 -15.639 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.347 10.975 -17.397 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -14.543 9.359 -18.045 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.955 11.165 -17.780 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.838 11.404 -19.109 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -17.360 9.984 -20.115 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -16.200 8.812 -19.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -18.652 8.384 -19.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -17.592 8.180 -17.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -18.550 9.578 -17.898 1.00 0.00 H new ATOM 25 N LYS A 2 -12.796 7.904 -16.631 1.00 0.00 N ATOM 26 CA LYS A 2 -12.070 6.734 -17.182 1.00 0.00 C ATOM 27 C LYS A 2 -11.065 6.148 -16.173 1.00 0.00 C ATOM 28 O LYS A 2 -9.948 6.656 -16.046 1.00 0.00 O ATOM 29 CB LYS A 2 -11.363 7.144 -18.492 1.00 0.00 C ATOM 30 CG LYS A 2 -12.357 7.426 -19.636 1.00 0.00 C ATOM 31 CD LYS A 2 -11.836 8.447 -20.659 1.00 0.00 C ATOM 32 CE LYS A 2 -10.770 7.863 -21.596 1.00 0.00 C ATOM 33 NZ LYS A 2 -10.280 8.888 -22.556 1.00 0.00 N ATOM 0 H LYS A 2 -12.550 8.770 -17.110 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.795 5.947 -17.390 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.759 8.033 -18.312 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.680 6.351 -18.796 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.583 6.491 -20.149 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.292 7.792 -19.213 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.671 8.817 -21.253 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.418 9.303 -20.130 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.935 7.482 -21.009 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.187 7.018 -22.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -9.560 8.466 -23.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.075 9.233 -23.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.862 9.683 -22.032 1.00 0.00 H new ATOM 47 N LYS A 3 -11.461 5.103 -15.435 1.00 0.00 N ATOM 48 CA LYS A 3 -10.589 4.359 -14.499 1.00 0.00 C ATOM 49 C LYS A 3 -9.798 3.271 -15.246 1.00 0.00 C ATOM 50 O LYS A 3 -10.149 2.909 -16.371 1.00 0.00 O ATOM 51 CB LYS A 3 -11.430 3.763 -13.345 1.00 0.00 C ATOM 52 CG LYS A 3 -10.795 4.003 -11.956 1.00 0.00 C ATOM 53 CD LYS A 3 -10.762 2.751 -11.065 1.00 0.00 C ATOM 54 CE LYS A 3 -12.148 2.284 -10.593 1.00 0.00 C ATOM 55 NZ LYS A 3 -12.613 3.022 -9.387 1.00 0.00 N ATOM 0 H LYS A 3 -12.413 4.739 -15.468 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.866 5.048 -14.064 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -12.428 4.202 -13.364 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.550 2.691 -13.505 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.777 4.369 -12.090 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -11.351 4.788 -11.443 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.284 1.940 -11.614 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -10.142 2.955 -10.192 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.869 2.420 -11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.114 1.217 -10.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.551 2.672 -9.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.941 2.872 -8.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.672 4.038 -9.603 1.00 0.00 H new ATOM 69 N ASN A 4 -8.741 2.734 -14.639 1.00 0.00 N ATOM 70 CA ASN A 4 -7.924 1.628 -15.167 1.00 0.00 C ATOM 71 C ASN A 4 -7.463 0.685 -14.036 1.00 0.00 C ATOM 72 O ASN A 4 -7.550 1.020 -12.854 1.00 0.00 O ATOM 73 CB ASN A 4 -6.713 2.223 -15.932 1.00 0.00 C ATOM 74 CG ASN A 4 -6.822 2.120 -17.447 1.00 0.00 C ATOM 75 OD1 ASN A 4 -6.016 1.476 -18.105 1.00 0.00 O ATOM 76 ND2 ASN A 4 -7.801 2.745 -18.060 1.00 0.00 N ATOM 0 H ASN A 4 -8.413 3.065 -13.732 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.525 1.029 -15.852 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.603 3.272 -15.657 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.806 1.712 -15.608 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.884 2.691 -19.075 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.478 3.285 -17.521 1.00 0.00 H new ATOM 83 N TRP A 5 -6.910 -0.481 -14.393 1.00 0.00 N ATOM 84 CA TRP A 5 -6.327 -1.443 -13.441 1.00 0.00 C ATOM 85 C TRP A 5 -5.185 -0.833 -12.604 1.00 0.00 C ATOM 86 O TRP A 5 -4.986 -1.212 -11.448 1.00 0.00 O ATOM 87 CB TRP A 5 -5.845 -2.688 -14.201 1.00 0.00 C ATOM 88 CG TRP A 5 -4.639 -2.496 -15.076 1.00 0.00 C ATOM 89 CD1 TRP A 5 -4.638 -1.968 -16.323 1.00 0.00 C ATOM 90 CD2 TRP A 5 -3.245 -2.828 -14.782 1.00 0.00 C ATOM 91 NE1 TRP A 5 -3.346 -1.942 -16.814 1.00 0.00 N ATOM 92 CE2 TRP A 5 -2.450 -2.476 -15.913 1.00 0.00 C ATOM 93 CE3 TRP A 5 -2.572 -3.400 -13.678 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -1.063 -2.685 -15.953 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -1.180 -3.615 -13.707 1.00 0.00 C ATOM 96 CH2 TRP A 5 -0.425 -3.260 -14.840 1.00 0.00 C ATOM 0 H TRP A 5 -6.853 -0.790 -15.364 1.00 0.00 H new ATOM 0 HA TRP A 5 -7.107 -1.725 -12.733 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -5.622 -3.470 -13.475 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -6.665 -3.052 -14.820 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -5.513 -1.620 -16.853 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.088 -1.573 -17.729 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -3.134 -3.677 -12.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -0.493 -2.408 -16.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -0.688 -4.056 -12.852 1.00 0.00 H new ATOM 0 HH2 TRP A 5 0.642 -3.429 -14.855 1.00 0.00 H new ATOM 107 N PHE A 6 -4.479 0.157 -13.164 1.00 0.00 N ATOM 108 CA PHE A 6 -3.429 0.930 -12.496 1.00 0.00 C ATOM 109 C PHE A 6 -3.940 1.662 -11.240 1.00 0.00 C ATOM 110 O PHE A 6 -3.252 1.694 -10.220 1.00 0.00 O ATOM 111 CB PHE A 6 -2.774 1.904 -13.491 1.00 0.00 C ATOM 112 CG PHE A 6 -1.288 1.650 -13.656 1.00 0.00 C ATOM 113 CD1 PHE A 6 -0.840 0.687 -14.580 1.00 0.00 C ATOM 114 CD2 PHE A 6 -0.356 2.335 -12.854 1.00 0.00 C ATOM 115 CE1 PHE A 6 0.534 0.414 -14.707 1.00 0.00 C ATOM 116 CE2 PHE A 6 1.020 2.063 -12.983 1.00 0.00 C ATOM 117 CZ PHE A 6 1.464 1.102 -13.909 1.00 0.00 C ATOM 0 H PHE A 6 -4.630 0.451 -14.129 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.674 0.226 -12.147 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.265 1.814 -14.460 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -2.929 2.927 -13.149 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.553 0.156 -15.193 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -0.696 3.070 -12.139 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.874 -0.324 -15.418 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.735 2.593 -12.370 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.519 0.893 -14.007 1.00 0.00 H new ATOM 127 N ASP A 7 -5.162 2.207 -11.278 1.00 0.00 N ATOM 128 CA ASP A 7 -5.808 2.840 -10.119 1.00 0.00 C ATOM 129 C ASP A 7 -6.125 1.827 -9.005 1.00 0.00 C ATOM 130 O ASP A 7 -6.015 2.155 -7.826 1.00 0.00 O ATOM 131 CB ASP A 7 -7.098 3.554 -10.547 1.00 0.00 C ATOM 132 CG ASP A 7 -6.830 4.746 -11.476 1.00 0.00 C ATOM 133 OD1 ASP A 7 -6.504 5.845 -10.968 1.00 0.00 O ATOM 134 OD2 ASP A 7 -6.971 4.587 -12.712 1.00 0.00 O ATOM 0 H ASP A 7 -5.736 2.222 -12.121 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.101 3.567 -9.719 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.752 2.843 -11.053 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.629 3.901 -9.660 1.00 0.00 H new ATOM 139 N ILE A 8 -6.489 0.589 -9.361 1.00 0.00 N ATOM 140 CA ILE A 8 -6.780 -0.492 -8.405 1.00 0.00 C ATOM 141 C ILE A 8 -5.497 -0.973 -7.708 1.00 0.00 C ATOM 142 O ILE A 8 -5.429 -0.982 -6.476 1.00 0.00 O ATOM 143 CB ILE A 8 -7.538 -1.653 -9.092 1.00 0.00 C ATOM 144 CG1 ILE A 8 -8.802 -1.192 -9.855 1.00 0.00 C ATOM 145 CG2 ILE A 8 -7.906 -2.745 -8.071 1.00 0.00 C ATOM 146 CD1 ILE A 8 -9.848 -0.442 -9.016 1.00 0.00 C ATOM 0 H ILE A 8 -6.592 0.304 -10.335 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.436 -0.094 -7.631 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.853 -2.063 -9.834 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.493 -0.548 -10.678 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.277 -2.068 -10.297 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.438 -3.551 -8.576 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.997 -3.139 -7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.544 -2.319 -7.296 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.691 -0.165 -9.649 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.196 -1.086 -8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.400 0.458 -8.595 1.00 0.00 H new ATOM 158 N THR A 9 -4.460 -1.346 -8.470 1.00 0.00 N ATOM 159 CA THR A 9 -3.178 -1.820 -7.900 1.00 0.00 C ATOM 160 C THR A 9 -2.450 -0.744 -7.075 1.00 0.00 C ATOM 161 O THR A 9 -1.715 -1.075 -6.142 1.00 0.00 O ATOM 162 CB THR A 9 -2.276 -2.446 -8.980 1.00 0.00 C ATOM 163 OG1 THR A 9 -1.221 -3.182 -8.398 1.00 0.00 O ATOM 164 CG2 THR A 9 -1.673 -1.439 -9.954 1.00 0.00 C ATOM 0 H THR A 9 -4.478 -1.331 -9.490 1.00 0.00 H new ATOM 0 HA THR A 9 -3.427 -2.610 -7.191 1.00 0.00 H new ATOM 0 HB THR A 9 -2.941 -3.097 -9.547 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.664 -3.570 -9.105 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.052 -1.963 -10.681 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.473 -0.911 -10.473 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.062 -0.722 -9.405 1.00 0.00 H new ATOM 172 N ASN A 10 -2.691 0.545 -7.349 1.00 0.00 N ATOM 173 CA ASN A 10 -2.155 1.674 -6.583 1.00 0.00 C ATOM 174 C ASN A 10 -2.593 1.614 -5.103 1.00 0.00 C ATOM 175 O ASN A 10 -1.772 1.817 -4.206 1.00 0.00 O ATOM 176 CB ASN A 10 -2.604 2.970 -7.282 1.00 0.00 C ATOM 177 CG ASN A 10 -2.410 4.211 -6.428 1.00 0.00 C ATOM 178 OD1 ASN A 10 -1.321 4.753 -6.306 1.00 0.00 O ATOM 179 ND2 ASN A 10 -3.469 4.693 -5.817 1.00 0.00 N ATOM 0 H ASN A 10 -3.279 0.837 -8.130 1.00 0.00 H new ATOM 0 HA ASN A 10 -1.066 1.636 -6.562 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.046 3.086 -8.211 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.657 2.884 -7.551 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.387 5.526 -5.235 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.373 4.234 -5.925 1.00 0.00 H new ATOM 186 N TRP A 11 -3.865 1.293 -4.831 1.00 0.00 N ATOM 187 CA TRP A 11 -4.374 1.099 -3.466 1.00 0.00 C ATOM 188 C TRP A 11 -3.812 -0.163 -2.794 1.00 0.00 C ATOM 189 O TRP A 11 -3.567 -0.159 -1.587 1.00 0.00 O ATOM 190 CB TRP A 11 -5.907 1.061 -3.478 1.00 0.00 C ATOM 191 CG TRP A 11 -6.568 2.288 -4.033 1.00 0.00 C ATOM 192 CD1 TRP A 11 -7.376 2.313 -5.116 1.00 0.00 C ATOM 193 CD2 TRP A 11 -6.470 3.672 -3.572 1.00 0.00 C ATOM 194 NE1 TRP A 11 -7.783 3.611 -5.361 1.00 0.00 N ATOM 195 CE2 TRP A 11 -7.249 4.491 -4.445 1.00 0.00 C ATOM 196 CE3 TRP A 11 -5.797 4.327 -2.516 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -7.352 5.880 -4.286 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -5.892 5.723 -2.345 1.00 0.00 C ATOM 199 CH2 TRP A 11 -6.665 6.499 -3.226 1.00 0.00 C ATOM 0 H TRP A 11 -4.572 1.160 -5.554 1.00 0.00 H new ATOM 0 HA TRP A 11 -4.032 1.947 -2.873 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -6.229 0.198 -4.061 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -6.259 0.907 -2.458 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.660 1.451 -5.701 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.402 3.884 -6.125 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -5.199 3.748 -1.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -7.950 6.466 -4.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.367 6.200 -1.531 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -6.731 7.568 -3.089 1.00 0.00 H new ATOM 210 N LEU A 12 -3.553 -1.228 -3.563 1.00 0.00 N ATOM 211 CA LEU A 12 -2.916 -2.454 -3.060 1.00 0.00 C ATOM 212 C LEU A 12 -1.497 -2.181 -2.525 1.00 0.00 C ATOM 213 O LEU A 12 -1.094 -2.742 -1.503 1.00 0.00 O ATOM 214 CB LEU A 12 -2.914 -3.541 -4.156 1.00 0.00 C ATOM 215 CG LEU A 12 -3.475 -4.894 -3.680 1.00 0.00 C ATOM 216 CD1 LEU A 12 -3.468 -5.886 -4.844 1.00 0.00 C ATOM 217 CD2 LEU A 12 -2.684 -5.514 -2.526 1.00 0.00 C ATOM 0 H LEU A 12 -3.780 -1.265 -4.557 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.501 -2.821 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.502 -3.191 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.894 -3.685 -4.512 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.484 -4.694 -3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.865 -6.844 -4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.087 -5.501 -5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.447 -6.021 -5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.137 -6.465 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.654 -5.682 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.697 -4.838 -1.671 1.00 0.00 H new ATOM 229 N TRP A 13 -0.761 -1.270 -3.171 1.00 0.00 N ATOM 230 CA TRP A 13 0.569 -0.834 -2.734 1.00 0.00 C ATOM 231 C TRP A 13 0.565 -0.242 -1.317 1.00 0.00 C ATOM 232 O TRP A 13 1.469 -0.538 -0.540 1.00 0.00 O ATOM 233 CB TRP A 13 1.173 0.150 -3.750 1.00 0.00 C ATOM 234 CG TRP A 13 2.664 0.060 -3.880 1.00 0.00 C ATOM 235 CD1 TRP A 13 3.307 -0.884 -4.604 1.00 0.00 C ATOM 236 CD2 TRP A 13 3.711 0.901 -3.295 1.00 0.00 C ATOM 237 NE1 TRP A 13 4.672 -0.693 -4.511 1.00 0.00 N ATOM 238 CE2 TRP A 13 4.979 0.391 -3.717 1.00 0.00 C ATOM 239 CE3 TRP A 13 3.732 2.045 -2.463 1.00 0.00 C ATOM 240 CZ2 TRP A 13 6.196 0.973 -3.334 1.00 0.00 C ATOM 241 CZ3 TRP A 13 4.951 2.645 -2.082 1.00 0.00 C ATOM 242 CH2 TRP A 13 6.180 2.111 -2.508 1.00 0.00 C ATOM 0 H TRP A 13 -1.077 -0.809 -4.024 1.00 0.00 H new ATOM 0 HA TRP A 13 1.200 -1.722 -2.690 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.723 -0.031 -4.726 1.00 0.00 H new ATOM 0 HB3 TRP A 13 0.905 1.166 -3.459 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.826 -1.669 -5.169 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.366 -1.281 -4.972 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.801 2.466 -2.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.133 0.553 -3.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 4.940 3.525 -1.456 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.107 2.573 -2.202 1.00 0.00 H new ATOM 253 N TYR A 14 -0.463 0.534 -0.942 1.00 0.00 N ATOM 254 CA TYR A 14 -0.609 1.115 0.401 1.00 0.00 C ATOM 255 C TYR A 14 -0.683 0.053 1.514 1.00 0.00 C ATOM 256 O TYR A 14 -0.056 0.212 2.560 1.00 0.00 O ATOM 257 CB TYR A 14 -1.841 2.033 0.449 1.00 0.00 C ATOM 258 CG TYR A 14 -2.009 2.756 1.776 1.00 0.00 C ATOM 259 CD1 TYR A 14 -1.252 3.912 2.047 1.00 0.00 C ATOM 260 CD2 TYR A 14 -2.901 2.257 2.748 1.00 0.00 C ATOM 261 CE1 TYR A 14 -1.380 4.570 3.286 1.00 0.00 C ATOM 262 CE2 TYR A 14 -3.030 2.911 3.990 1.00 0.00 C ATOM 263 CZ TYR A 14 -2.270 4.069 4.263 1.00 0.00 C ATOM 264 OH TYR A 14 -2.400 4.694 5.467 1.00 0.00 O ATOM 0 H TYR A 14 -1.227 0.779 -1.572 1.00 0.00 H new ATOM 0 HA TYR A 14 0.291 1.700 0.592 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.766 2.770 -0.350 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.734 1.440 0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.571 4.296 1.302 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.486 1.373 2.540 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.798 5.457 3.489 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.711 2.526 4.734 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.055 4.214 6.015 1.00 0.00 H new ATOM 274 N ILE A 15 -1.409 -1.048 1.289 1.00 0.00 N ATOM 275 CA ILE A 15 -1.533 -2.172 2.237 1.00 0.00 C ATOM 276 C ILE A 15 -0.161 -2.825 2.487 1.00 0.00 C ATOM 277 O ILE A 15 0.286 -2.921 3.633 1.00 0.00 O ATOM 278 CB ILE A 15 -2.590 -3.180 1.723 1.00 0.00 C ATOM 279 CG1 ILE A 15 -4.006 -2.550 1.728 1.00 0.00 C ATOM 280 CG2 ILE A 15 -2.614 -4.465 2.571 1.00 0.00 C ATOM 281 CD1 ILE A 15 -4.898 -3.099 0.608 1.00 0.00 C ATOM 0 H ILE A 15 -1.938 -1.190 0.429 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.880 -1.800 3.201 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.306 -3.437 0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.480 -2.739 2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.919 -1.469 1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.369 -5.146 2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.636 -4.945 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.854 -4.215 3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.878 -2.624 0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.441 -2.887 -0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.010 -4.177 0.728 1.00 0.00 H new ATOM 293 N LYS A 16 0.537 -3.231 1.417 1.00 0.00 N ATOM 294 CA LYS A 16 1.910 -3.777 1.464 1.00 0.00 C ATOM 295 C LYS A 16 2.905 -2.807 2.114 1.00 0.00 C ATOM 296 O LYS A 16 3.679 -3.210 2.982 1.00 0.00 O ATOM 297 CB LYS A 16 2.342 -4.189 0.041 1.00 0.00 C ATOM 298 CG LYS A 16 2.238 -5.710 -0.191 1.00 0.00 C ATOM 299 CD LYS A 16 3.590 -6.435 -0.070 1.00 0.00 C ATOM 300 CE LYS A 16 4.467 -6.152 -1.300 1.00 0.00 C ATOM 301 NZ LYS A 16 5.721 -6.951 -1.290 1.00 0.00 N ATOM 0 H LYS A 16 0.158 -3.190 0.471 1.00 0.00 H new ATOM 0 HA LYS A 16 1.910 -4.661 2.102 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.720 -3.670 -0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.369 -3.868 -0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.540 -6.134 0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.823 -5.892 -1.182 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.105 -6.108 0.833 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.426 -7.508 0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.903 -6.375 -2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.714 -5.091 -1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.281 -6.728 -2.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.273 -6.720 -0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.487 -7.964 -1.286 1.00 0.00 H new ATOM 315 N LEU A 17 2.856 -1.528 1.738 1.00 0.00 N ATOM 316 CA LEU A 17 3.651 -0.442 2.316 1.00 0.00 C ATOM 317 C LEU A 17 3.433 -0.317 3.832 1.00 0.00 C ATOM 318 O LEU A 17 4.407 -0.255 4.579 1.00 0.00 O ATOM 319 CB LEU A 17 3.314 0.866 1.574 1.00 0.00 C ATOM 320 CG LEU A 17 3.966 2.130 2.158 1.00 0.00 C ATOM 321 CD1 LEU A 17 5.490 2.104 2.020 1.00 0.00 C ATOM 322 CD2 LEU A 17 3.416 3.368 1.456 1.00 0.00 C ATOM 0 H LEU A 17 2.237 -1.207 0.993 1.00 0.00 H new ATOM 0 HA LEU A 17 4.710 -0.663 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.621 0.765 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.232 0.999 1.576 1.00 0.00 H new ATOM 0 HG LEU A 17 3.725 2.162 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.909 3.016 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.889 1.239 2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.759 2.038 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.882 4.260 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.636 3.310 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.337 3.420 1.602 1.00 0.00 H new ATOM 334 N PHE A 18 2.182 -0.306 4.301 1.00 0.00 N ATOM 335 CA PHE A 18 1.859 -0.251 5.729 1.00 0.00 C ATOM 336 C PHE A 18 2.518 -1.403 6.502 1.00 0.00 C ATOM 337 O PHE A 18 3.198 -1.155 7.497 1.00 0.00 O ATOM 338 CB PHE A 18 0.338 -0.224 5.933 1.00 0.00 C ATOM 339 CG PHE A 18 -0.065 0.017 7.376 1.00 0.00 C ATOM 340 CD1 PHE A 18 -0.205 1.335 7.855 1.00 0.00 C ATOM 341 CD2 PHE A 18 -0.267 -1.068 8.253 1.00 0.00 C ATOM 342 CE1 PHE A 18 -0.545 1.567 9.201 1.00 0.00 C ATOM 343 CE2 PHE A 18 -0.605 -0.835 9.598 1.00 0.00 C ATOM 344 CZ PHE A 18 -0.744 0.481 10.073 1.00 0.00 C ATOM 0 H PHE A 18 1.361 -0.335 3.697 1.00 0.00 H new ATOM 0 HA PHE A 18 2.269 0.674 6.135 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.093 0.557 5.306 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.084 -1.171 5.597 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.051 2.170 7.187 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.162 -2.080 7.891 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.653 2.578 9.564 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.758 -1.669 10.267 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.003 0.658 11.106 1.00 0.00 H new ATOM 354 N ILE A 19 2.390 -2.647 6.023 1.00 0.00 N ATOM 355 CA ILE A 19 3.058 -3.820 6.617 1.00 0.00 C ATOM 356 C ILE A 19 4.583 -3.612 6.686 1.00 0.00 C ATOM 357 O ILE A 19 5.186 -3.848 7.733 1.00 0.00 O ATOM 358 CB ILE A 19 2.691 -5.121 5.862 1.00 0.00 C ATOM 359 CG1 ILE A 19 1.174 -5.423 5.938 1.00 0.00 C ATOM 360 CG2 ILE A 19 3.459 -6.318 6.463 1.00 0.00 C ATOM 361 CD1 ILE A 19 0.687 -6.353 4.816 1.00 0.00 C ATOM 0 H ILE A 19 1.818 -2.873 5.209 1.00 0.00 H new ATOM 0 HA ILE A 19 2.696 -3.929 7.639 1.00 0.00 H new ATOM 0 HB ILE A 19 2.967 -4.974 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.948 -5.878 6.902 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.620 -4.485 5.890 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.194 -7.228 5.925 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.531 -6.144 6.374 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.195 -6.429 7.515 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.384 -6.526 4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.883 -5.890 3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.216 -7.304 4.877 1.00 0.00 H new ATOM 373 N MET A 20 5.212 -3.137 5.605 1.00 0.00 N ATOM 374 CA MET A 20 6.656 -2.850 5.547 1.00 0.00 C ATOM 375 C MET A 20 7.092 -1.773 6.562 1.00 0.00 C ATOM 376 O MET A 20 8.114 -1.942 7.230 1.00 0.00 O ATOM 377 CB MET A 20 7.054 -2.448 4.116 1.00 0.00 C ATOM 378 CG MET A 20 6.877 -3.597 3.108 1.00 0.00 C ATOM 379 SD MET A 20 8.398 -4.483 2.665 1.00 0.00 S ATOM 380 CE MET A 20 9.029 -3.369 1.378 1.00 0.00 C ATOM 0 H MET A 20 4.727 -2.937 4.730 1.00 0.00 H new ATOM 0 HA MET A 20 7.181 -3.764 5.825 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.451 -1.597 3.801 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.094 -2.121 4.110 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.166 -4.313 3.520 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.433 -3.194 2.198 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.969 -3.760 0.987 1.00 0.00 H new ATOM 0 HE2 MET A 20 8.302 -3.298 0.569 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.196 -2.379 1.803 1.00 0.00 H new ATOM 390 N ILE A 21 6.317 -0.692 6.719 1.00 0.00 N ATOM 391 CA ILE A 21 6.550 0.374 7.713 1.00 0.00 C ATOM 392 C ILE A 21 6.422 -0.173 9.145 1.00 0.00 C ATOM 393 O ILE A 21 7.358 -0.056 9.940 1.00 0.00 O ATOM 394 CB ILE A 21 5.592 1.567 7.469 1.00 0.00 C ATOM 395 CG1 ILE A 21 5.907 2.288 6.138 1.00 0.00 C ATOM 396 CG2 ILE A 21 5.684 2.579 8.626 1.00 0.00 C ATOM 397 CD1 ILE A 21 4.751 3.177 5.654 1.00 0.00 C ATOM 0 H ILE A 21 5.489 -0.527 6.146 1.00 0.00 H new ATOM 0 HA ILE A 21 7.570 0.739 7.594 1.00 0.00 H new ATOM 0 HB ILE A 21 4.582 1.162 7.414 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.801 2.899 6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.133 1.546 5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.004 3.410 8.437 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.408 2.090 9.560 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.705 2.955 8.701 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.029 3.657 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.862 2.566 5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.540 3.940 6.404 1.00 0.00 H new ATOM 409 N VAL A 22 5.293 -0.811 9.483 1.00 0.00 N ATOM 410 CA VAL A 22 5.064 -1.421 10.808 1.00 0.00 C ATOM 411 C VAL A 22 6.111 -2.486 11.121 1.00 0.00 C ATOM 412 O VAL A 22 6.543 -2.584 12.265 1.00 0.00 O ATOM 413 CB VAL A 22 3.643 -1.999 10.935 1.00 0.00 C ATOM 414 CG1 VAL A 22 3.375 -2.663 12.293 1.00 0.00 C ATOM 415 CG2 VAL A 22 2.609 -0.870 10.809 1.00 0.00 C ATOM 0 H VAL A 22 4.506 -0.921 8.844 1.00 0.00 H new ATOM 0 HA VAL A 22 5.163 -0.624 11.544 1.00 0.00 H new ATOM 0 HB VAL A 22 3.560 -2.744 10.144 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.356 -3.049 12.315 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.077 -3.484 12.442 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.502 -1.929 13.088 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.605 -1.284 10.900 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.772 -0.138 11.600 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.715 -0.386 9.838 1.00 0.00 H new ATOM 425 N GLY A 23 6.613 -3.209 10.118 1.00 0.00 N ATOM 426 CA GLY A 23 7.685 -4.192 10.280 1.00 0.00 C ATOM 427 C GLY A 23 8.967 -3.641 10.936 1.00 0.00 C ATOM 428 O GLY A 23 9.727 -4.411 11.528 1.00 0.00 O ATOM 0 H GLY A 23 6.281 -3.127 9.157 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.312 -5.021 10.882 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.939 -4.598 9.301 1.00 0.00 H new ATOM 432 N GLY A 24 9.195 -2.320 10.867 1.00 0.00 N ATOM 433 CA GLY A 24 10.301 -1.605 11.518 1.00 0.00 C ATOM 434 C GLY A 24 9.874 -0.684 12.676 1.00 0.00 C ATOM 435 O GLY A 24 10.698 -0.389 13.541 1.00 0.00 O ATOM 0 H GLY A 24 8.588 -1.697 10.334 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.016 -2.336 11.897 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.821 -1.008 10.769 1.00 0.00 H new ATOM 439 N LEU A 25 8.606 -0.248 12.732 1.00 0.00 N ATOM 440 CA LEU A 25 8.061 0.604 13.806 1.00 0.00 C ATOM 441 C LEU A 25 7.412 -0.171 14.972 1.00 0.00 C ATOM 442 O LEU A 25 7.254 0.379 16.062 1.00 0.00 O ATOM 443 CB LEU A 25 7.047 1.610 13.227 1.00 0.00 C ATOM 444 CG LEU A 25 7.620 2.670 12.266 1.00 0.00 C ATOM 445 CD1 LEU A 25 6.505 3.650 11.897 1.00 0.00 C ATOM 446 CD2 LEU A 25 8.760 3.491 12.875 1.00 0.00 C ATOM 0 H LEU A 25 7.915 -0.481 12.019 1.00 0.00 H new ATOM 0 HA LEU A 25 8.922 1.122 14.229 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.272 1.052 12.701 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.562 2.125 14.056 1.00 0.00 H new ATOM 0 HG LEU A 25 8.013 2.130 11.405 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.896 4.407 11.217 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.692 3.110 11.411 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.131 4.132 12.800 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.116 4.218 12.144 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.399 4.014 13.761 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.578 2.827 13.154 1.00 0.00 H new ATOM 458 N VAL A 26 7.057 -1.449 14.793 1.00 0.00 N ATOM 459 CA VAL A 26 6.477 -2.298 15.856 1.00 0.00 C ATOM 460 C VAL A 26 7.439 -2.479 17.043 1.00 0.00 C ATOM 461 O VAL A 26 7.005 -2.558 18.195 1.00 0.00 O ATOM 462 CB VAL A 26 6.012 -3.653 15.278 1.00 0.00 C ATOM 463 CG1 VAL A 26 7.160 -4.590 14.878 1.00 0.00 C ATOM 464 CG2 VAL A 26 5.062 -4.390 16.226 1.00 0.00 C ATOM 0 H VAL A 26 7.163 -1.933 13.901 1.00 0.00 H new ATOM 0 HA VAL A 26 5.600 -1.783 16.249 1.00 0.00 H new ATOM 0 HB VAL A 26 5.479 -3.386 14.366 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.750 -5.519 14.482 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.773 -4.109 14.115 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.773 -4.808 15.752 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.762 -5.337 15.777 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.568 -4.581 17.172 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.178 -3.777 16.405 1.00 0.00 H new ATOM 474 N LYS A 27 8.752 -2.499 16.767 1.00 0.00 N ATOM 475 CA LYS A 27 9.832 -2.665 17.755 1.00 0.00 C ATOM 476 C LYS A 27 10.271 -1.365 18.451 1.00 0.00 C ATOM 477 O LYS A 27 10.746 -1.434 19.587 1.00 0.00 O ATOM 478 CB LYS A 27 11.021 -3.377 17.083 1.00 0.00 C ATOM 479 CG LYS A 27 11.757 -2.521 16.030 1.00 0.00 C ATOM 480 CD LYS A 27 13.175 -2.095 16.442 1.00 0.00 C ATOM 481 CE LYS A 27 14.144 -3.283 16.520 1.00 0.00 C ATOM 482 NZ LYS A 27 15.533 -2.834 16.806 1.00 0.00 N ATOM 0 H LYS A 27 9.105 -2.396 15.815 1.00 0.00 H new ATOM 0 HA LYS A 27 9.432 -3.277 18.563 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.732 -3.678 17.852 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.662 -4.289 16.607 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.815 -3.083 15.098 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.166 -1.628 15.827 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.555 -1.366 15.726 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.135 -1.598 17.411 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.815 -3.972 17.298 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.124 -3.833 15.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.162 -3.661 16.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.854 -2.196 16.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.555 -2.331 17.716 1.00 0.00 H new ATOM 496 N LYS A 28 10.132 -0.202 17.793 1.00 0.00 N ATOM 497 CA LYS A 28 10.505 1.129 18.313 1.00 0.00 C ATOM 498 C LYS A 28 9.642 2.273 17.756 1.00 0.00 C ATOM 499 O LYS A 28 9.027 2.989 18.579 1.00 0.00 O ATOM 500 CB LYS A 28 12.023 1.381 18.172 1.00 0.00 C ATOM 501 CG LYS A 28 12.597 1.460 16.741 1.00 0.00 C ATOM 502 CD LYS A 28 12.905 2.903 16.306 1.00 0.00 C ATOM 503 CE LYS A 28 13.367 2.996 14.844 1.00 0.00 C ATOM 504 NZ LYS A 28 14.723 2.420 14.631 1.00 0.00 N ATOM 505 OXT LYS A 28 9.585 2.456 16.520 1.00 0.00 O ATOM 0 H LYS A 28 9.743 -0.159 16.851 1.00 0.00 H new ATOM 0 HA LYS A 28 10.282 1.121 19.380 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.259 2.315 18.682 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.548 0.587 18.703 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.509 0.865 16.686 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.886 1.018 16.043 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.014 3.517 16.441 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.678 3.316 16.954 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.652 2.475 14.208 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.368 4.041 14.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.984 2.509 13.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.414 2.932 15.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.720 1.415 14.900 1.00 0.00 H new TER 519 LYS A 28