USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 274 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 Set 1.1: A 24 HIS : no HD1:sc= -4.21! C(o=-4!,f=-5.5!) USER MOD Set 1.2: A 25 THR OG1 : rot 56:sc= 0.209 USER MOD Single : A 1 LYS N :NH3+ -116:sc= 0.0837 (180deg=-0.235) 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 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 126:sc= 1.26 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 155:sc= -0.0212 (180deg=-0.289) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.506 1.615 0.704 1.00 14.13 N ATOM 2 CA LYS A 1 0.907 2.850 0.211 1.00 70.43 C ATOM 3 C LYS A 1 0.536 2.723 -1.264 1.00 5.04 C ATOM 4 O LYS A 1 0.715 1.667 -1.871 1.00 43.20 O ATOM 5 CB LYS A 1 1.871 4.022 0.406 1.00 20.14 C ATOM 6 CG LYS A 1 3.118 3.935 -0.457 1.00 32.23 C ATOM 7 CD LYS A 1 4.173 4.935 -0.015 1.00 53.43 C ATOM 8 CE LYS A 1 4.779 5.667 -1.203 1.00 70.42 C ATOM 9 NZ LYS A 1 5.420 6.948 -0.797 1.00 62.14 N ATOM 0 H1 LYS A 1 0.895 1.201 1.437 1.00 14.13 H new ATOM 0 H2 LYS A 1 1.609 0.942 -0.082 1.00 14.13 H new ATOM 0 H3 LYS A 1 2.442 1.821 1.109 1.00 14.13 H new ATOM 0 HA LYS A 1 -0.002 3.037 0.782 1.00 70.43 H new ATOM 0 HB2 LYS A 1 1.349 4.952 0.182 1.00 20.14 H new ATOM 0 HB3 LYS A 1 2.167 4.067 1.454 1.00 20.14 H new ATOM 0 HG2 LYS A 1 3.527 2.926 -0.406 1.00 32.23 H new ATOM 0 HG3 LYS A 1 2.854 4.119 -1.498 1.00 32.23 H new ATOM 0 HD2 LYS A 1 3.728 5.657 0.670 1.00 53.43 H new ATOM 0 HD3 LYS A 1 4.959 4.417 0.534 1.00 53.43 H new ATOM 0 HE2 LYS A 1 5.519 5.028 -1.685 1.00 70.42 H new ATOM 0 HE3 LYS A 1 4.002 5.868 -1.941 1.00 70.42 H new ATOM 0 HZ1 LYS A 1 5.821 7.416 -1.635 1.00 62.14 H new ATOM 0 HZ2 LYS A 1 4.709 7.569 -0.360 1.00 62.14 H new ATOM 0 HZ3 LYS A 1 6.179 6.755 -0.112 1.00 62.14 H new ATOM 23 N LYS A 2 0.021 3.806 -1.834 1.00 53.34 N ATOM 24 CA LYS A 2 -0.373 3.818 -3.238 1.00 44.33 C ATOM 25 C LYS A 2 0.748 4.373 -4.113 1.00 32.55 C ATOM 26 O LYS A 2 0.700 5.525 -4.543 1.00 13.14 O ATOM 27 CB LYS A 2 -1.641 4.653 -3.427 1.00 13.13 C ATOM 28 CG LYS A 2 -2.907 3.946 -2.974 1.00 53.42 C ATOM 29 CD LYS A 2 -4.148 4.589 -3.571 1.00 73.53 C ATOM 30 CE LYS A 2 -4.464 5.918 -2.904 1.00 2.32 C ATOM 31 NZ LYS A 2 -5.914 6.052 -2.591 1.00 64.13 N ATOM 0 H LYS A 2 -0.134 4.688 -1.345 1.00 53.34 H new ATOM 0 HA LYS A 2 -0.573 2.790 -3.541 1.00 44.33 H new ATOM 0 HB2 LYS A 2 -1.538 5.586 -2.873 1.00 13.13 H new ATOM 0 HB3 LYS A 2 -1.739 4.917 -4.480 1.00 13.13 H new ATOM 0 HG2 LYS A 2 -2.863 2.897 -3.266 1.00 53.42 H new ATOM 0 HG3 LYS A 2 -2.970 3.972 -1.886 1.00 53.42 H new ATOM 0 HD2 LYS A 2 -4.000 4.743 -4.640 1.00 73.53 H new ATOM 0 HD3 LYS A 2 -4.997 3.915 -3.461 1.00 73.53 H new ATOM 0 HE2 LYS A 2 -3.884 6.010 -1.985 1.00 2.32 H new ATOM 0 HE3 LYS A 2 -4.157 6.734 -3.558 1.00 2.32 H new ATOM 0 HZ1 LYS A 2 -6.088 6.972 -2.137 1.00 64.13 H new ATOM 0 HZ2 LYS A 2 -6.466 5.990 -3.470 1.00 64.13 H new ATOM 0 HZ3 LYS A 2 -6.202 5.288 -1.947 1.00 64.13 H new ATOM 45 N ARG A 3 1.754 3.544 -4.372 1.00 41.34 N ATOM 46 CA ARG A 3 2.886 3.952 -5.196 1.00 1.23 C ATOM 47 C ARG A 3 2.748 3.412 -6.616 1.00 20.30 C ATOM 48 O ARG A 3 3.743 3.185 -7.304 1.00 44.24 O ATOM 49 CB ARG A 3 4.197 3.462 -4.577 1.00 53.12 C ATOM 50 CG ARG A 3 4.204 1.975 -4.264 1.00 72.34 C ATOM 51 CD ARG A 3 5.616 1.462 -4.029 1.00 32.30 C ATOM 52 NE ARG A 3 5.975 1.478 -2.614 1.00 22.15 N ATOM 53 CZ ARG A 3 7.014 0.820 -2.111 1.00 61.25 C ATOM 54 NH1 ARG A 3 7.792 0.098 -2.906 1.00 23.43 N ATOM 55 NH2 ARG A 3 7.277 0.884 -0.812 1.00 73.34 N ATOM 0 H ARG A 3 1.808 2.587 -4.024 1.00 41.34 H new ATOM 0 HA ARG A 3 2.897 5.041 -5.240 1.00 1.23 H new ATOM 0 HB2 ARG A 3 5.017 3.685 -5.260 1.00 53.12 H new ATOM 0 HB3 ARG A 3 4.386 4.019 -3.659 1.00 53.12 H new ATOM 0 HG2 ARG A 3 3.595 1.785 -3.380 1.00 72.34 H new ATOM 0 HG3 ARG A 3 3.749 1.426 -5.089 1.00 72.34 H new ATOM 0 HD2 ARG A 3 5.701 0.446 -4.413 1.00 32.30 H new ATOM 0 HD3 ARG A 3 6.322 2.075 -4.589 1.00 32.30 H new ATOM 0 HE ARG A 3 5.396 2.025 -1.976 1.00 22.15 H new ATOM 0 HH11 ARG A 3 7.593 0.047 -3.905 1.00 23.43 H new ATOM 0 HH12 ARG A 3 8.589 -0.407 -2.518 1.00 23.43 H new ATOM 0 HH21 ARG A 3 6.681 1.439 -0.198 1.00 73.34 H new ATOM 0 HH22 ARG A 3 8.075 0.378 -0.428 1.00 73.34 H new ATOM 69 N TYR A 4 1.509 3.207 -7.047 1.00 74.14 N ATOM 70 CA TYR A 4 1.240 2.690 -8.384 1.00 42.22 C ATOM 71 C TYR A 4 -0.198 2.982 -8.802 1.00 62.43 C ATOM 72 O TYR A 4 -0.789 2.245 -9.592 1.00 23.20 O ATOM 73 CB TYR A 4 1.502 1.184 -8.434 1.00 3.12 C ATOM 74 CG TYR A 4 2.418 0.766 -9.562 1.00 21.42 C ATOM 75 CD1 TYR A 4 2.186 1.190 -10.864 1.00 45.25 C ATOM 76 CD2 TYR A 4 3.514 -0.055 -9.325 1.00 41.24 C ATOM 77 CE1 TYR A 4 3.020 0.810 -11.898 1.00 70.15 C ATOM 78 CE2 TYR A 4 4.354 -0.439 -10.353 1.00 13.21 C ATOM 79 CZ TYR A 4 4.102 -0.004 -11.638 1.00 24.14 C ATOM 80 OH TYR A 4 4.936 -0.386 -12.664 1.00 53.42 O ATOM 0 H TYR A 4 0.674 3.391 -6.490 1.00 74.14 H new ATOM 0 HA TYR A 4 1.911 3.192 -9.081 1.00 42.22 H new ATOM 0 HB2 TYR A 4 1.939 0.868 -7.487 1.00 3.12 H new ATOM 0 HB3 TYR A 4 0.551 0.661 -8.537 1.00 3.12 H new ATOM 0 HD1 TYR A 4 1.339 1.828 -11.072 1.00 45.25 H new ATOM 0 HD2 TYR A 4 3.713 -0.399 -8.321 1.00 41.24 H new ATOM 0 HE1 TYR A 4 2.825 1.149 -12.905 1.00 70.15 H new ATOM 0 HE2 TYR A 4 5.203 -1.076 -10.152 1.00 13.21 H new ATOM 0 HH TYR A 4 5.649 -0.958 -12.310 1.00 53.42 H new ATOM 90 N VAL A 5 -0.755 4.063 -8.267 1.00 34.14 N ATOM 91 CA VAL A 5 -2.123 4.455 -8.584 1.00 75.42 C ATOM 92 C VAL A 5 -2.261 5.972 -8.641 1.00 75.23 C ATOM 93 O VAL A 5 -2.922 6.512 -9.528 1.00 1.21 O ATOM 94 CB VAL A 5 -3.121 3.898 -7.551 1.00 21.10 C ATOM 95 CG1 VAL A 5 -4.540 4.326 -7.893 1.00 44.54 C ATOM 96 CG2 VAL A 5 -3.017 2.382 -7.474 1.00 10.22 C ATOM 0 H VAL A 5 -0.280 4.683 -7.612 1.00 34.14 H new ATOM 0 HA VAL A 5 -2.353 4.035 -9.563 1.00 75.42 H new ATOM 0 HB VAL A 5 -2.870 4.307 -6.572 1.00 21.10 H new ATOM 0 HG11 VAL A 5 -5.230 3.923 -7.152 1.00 44.54 H new ATOM 0 HG12 VAL A 5 -4.602 5.414 -7.892 1.00 44.54 H new ATOM 0 HG13 VAL A 5 -4.806 3.948 -8.880 1.00 44.54 H new ATOM 0 HG21 VAL A 5 -3.729 2.005 -6.740 1.00 10.22 H new ATOM 0 HG22 VAL A 5 -3.241 1.952 -8.450 1.00 10.22 H new ATOM 0 HG23 VAL A 5 -2.007 2.101 -7.177 1.00 10.22 H new ATOM 106 N ALA A 6 -1.633 6.654 -7.689 1.00 71.24 N ATOM 107 CA ALA A 6 -1.683 8.109 -7.633 1.00 14.54 C ATOM 108 C ALA A 6 -0.444 8.727 -8.270 1.00 64.04 C ATOM 109 O ALA A 6 -0.476 9.865 -8.738 1.00 11.04 O ATOM 110 CB ALA A 6 -1.826 8.577 -6.192 1.00 34.23 C ATOM 0 H ALA A 6 -1.084 6.222 -6.946 1.00 71.24 H new ATOM 0 HA ALA A 6 -2.554 8.439 -8.200 1.00 14.54 H new ATOM 0 HB1 ALA A 6 -1.862 9.666 -6.165 1.00 34.23 H new ATOM 0 HB2 ALA A 6 -2.745 8.173 -5.768 1.00 34.23 H new ATOM 0 HB3 ALA A 6 -0.973 8.228 -5.610 1.00 34.23 H new ATOM 116 N MET A 7 0.648 7.969 -8.286 1.00 1.24 N ATOM 117 CA MET A 7 1.899 8.443 -8.867 1.00 52.10 C ATOM 118 C MET A 7 2.187 7.735 -10.187 1.00 25.12 C ATOM 119 O MET A 7 3.342 7.610 -10.596 1.00 53.45 O ATOM 120 CB MET A 7 3.056 8.221 -7.892 1.00 21.55 C ATOM 121 CG MET A 7 4.190 9.220 -8.055 1.00 73.14 C ATOM 122 SD MET A 7 5.083 9.516 -6.517 1.00 74.31 S ATOM 123 CE MET A 7 6.315 10.695 -7.062 1.00 41.45 C ATOM 0 H MET A 7 0.692 7.024 -7.903 1.00 1.24 H new ATOM 0 HA MET A 7 1.799 9.511 -9.062 1.00 52.10 H new ATOM 0 HB2 MET A 7 2.676 8.278 -6.872 1.00 21.55 H new ATOM 0 HB3 MET A 7 3.448 7.213 -8.030 1.00 21.55 H new ATOM 0 HG2 MET A 7 4.886 8.853 -8.810 1.00 73.14 H new ATOM 0 HG3 MET A 7 3.787 10.163 -8.424 1.00 73.14 H new ATOM 0 HE1 MET A 7 6.947 10.976 -6.220 1.00 41.45 H new ATOM 0 HE2 MET A 7 6.929 10.245 -7.843 1.00 41.45 H new ATOM 0 HE3 MET A 7 5.820 11.583 -7.456 1.00 41.45 H new ATOM 133 N VAL A 8 1.131 7.272 -10.848 1.00 65.04 N ATOM 134 CA VAL A 8 1.272 6.577 -12.122 1.00 71.13 C ATOM 135 C VAL A 8 0.500 7.291 -13.226 1.00 42.21 C ATOM 136 O VAL A 8 0.917 7.297 -14.385 1.00 30.02 O ATOM 137 CB VAL A 8 0.778 5.121 -12.025 1.00 12.31 C ATOM 138 CG1 VAL A 8 -0.678 5.080 -11.586 1.00 71.33 C ATOM 139 CG2 VAL A 8 0.963 4.406 -13.355 1.00 2.04 C ATOM 0 H VAL A 8 0.169 7.366 -10.523 1.00 65.04 H new ATOM 0 HA VAL A 8 2.334 6.577 -12.367 1.00 71.13 H new ATOM 0 HB VAL A 8 1.374 4.602 -11.274 1.00 12.31 H new ATOM 0 HG11 VAL A 8 -1.010 4.044 -11.523 1.00 71.33 H new ATOM 0 HG12 VAL A 8 -0.777 5.553 -10.609 1.00 71.33 H new ATOM 0 HG13 VAL A 8 -1.292 5.614 -12.311 1.00 71.33 H new ATOM 0 HG21 VAL A 8 0.609 3.379 -13.268 1.00 2.04 H new ATOM 0 HG22 VAL A 8 0.393 4.922 -14.128 1.00 2.04 H new ATOM 0 HG23 VAL A 8 2.019 4.404 -13.623 1.00 2.04 H new ATOM 149 N ILE A 9 -0.626 7.893 -12.859 1.00 31.12 N ATOM 150 CA ILE A 9 -1.455 8.612 -13.818 1.00 33.01 C ATOM 151 C ILE A 9 -1.263 10.119 -13.689 1.00 54.32 C ATOM 152 O ILE A 9 -1.475 10.866 -14.645 1.00 23.20 O ATOM 153 CB ILE A 9 -2.948 8.278 -13.634 1.00 5.25 C ATOM 154 CG1 ILE A 9 -3.174 6.770 -13.756 1.00 30.14 C ATOM 155 CG2 ILE A 9 -3.788 9.030 -14.654 1.00 75.04 C ATOM 156 CD1 ILE A 9 -4.618 6.359 -13.570 1.00 22.21 C ATOM 0 H ILE A 9 -0.985 7.897 -11.904 1.00 31.12 H new ATOM 0 HA ILE A 9 -1.139 8.291 -14.811 1.00 33.01 H new ATOM 0 HB ILE A 9 -3.256 8.593 -12.637 1.00 5.25 H new ATOM 0 HG12 ILE A 9 -2.833 6.438 -14.737 1.00 30.14 H new ATOM 0 HG13 ILE A 9 -2.560 6.258 -13.015 1.00 30.14 H new ATOM 0 HG21 ILE A 9 -4.840 8.784 -14.511 1.00 75.04 H new ATOM 0 HG22 ILE A 9 -3.645 10.103 -14.523 1.00 75.04 H new ATOM 0 HG23 ILE A 9 -3.481 8.743 -15.660 1.00 75.04 H new ATOM 0 HD11 ILE A 9 -4.704 5.277 -13.670 1.00 22.21 H new ATOM 0 HD12 ILE A 9 -4.957 6.660 -12.579 1.00 22.21 H new ATOM 0 HD13 ILE A 9 -5.235 6.843 -14.327 1.00 22.21 H new ATOM 168 N TRP A 10 -0.860 10.559 -12.503 1.00 14.32 N ATOM 169 CA TRP A 10 -0.638 11.978 -12.249 1.00 41.45 C ATOM 170 C TRP A 10 0.417 12.541 -13.196 1.00 12.44 C ATOM 171 O TRP A 10 0.358 13.710 -13.582 1.00 64.40 O ATOM 172 CB TRP A 10 -0.208 12.197 -10.798 1.00 64.01 C ATOM 173 CG TRP A 10 -1.337 12.598 -9.898 1.00 22.44 C ATOM 174 CD1 TRP A 10 -1.448 13.761 -9.190 1.00 72.45 C ATOM 175 CD2 TRP A 10 -2.513 11.835 -9.607 1.00 21.42 C ATOM 176 NE1 TRP A 10 -2.623 13.767 -8.477 1.00 63.44 N ATOM 177 CE2 TRP A 10 -3.294 12.597 -8.716 1.00 73.14 C ATOM 178 CE3 TRP A 10 -2.983 10.583 -10.013 1.00 40.02 C ATOM 179 CZ2 TRP A 10 -4.517 12.146 -8.227 1.00 12.23 C ATOM 180 CZ3 TRP A 10 -4.197 10.137 -9.526 1.00 42.00 C ATOM 181 CH2 TRP A 10 -4.953 10.917 -8.641 1.00 51.12 C ATOM 0 H TRP A 10 -0.680 9.954 -11.702 1.00 14.32 H new ATOM 0 HA TRP A 10 -1.576 12.504 -12.425 1.00 41.45 H new ATOM 0 HB2 TRP A 10 0.242 11.280 -10.418 1.00 64.01 H new ATOM 0 HB3 TRP A 10 0.563 12.967 -10.767 1.00 64.01 H new ATOM 0 HD1 TRP A 10 -0.720 14.558 -9.190 1.00 72.45 H new ATOM 0 HE1 TRP A 10 -2.943 14.520 -7.869 1.00 63.44 H new ATOM 0 HE3 TRP A 10 -2.408 9.975 -10.695 1.00 40.02 H new ATOM 0 HZ2 TRP A 10 -5.101 12.745 -7.545 1.00 12.23 H new ATOM 0 HZ3 TRP A 10 -4.569 9.171 -9.833 1.00 42.00 H new ATOM 0 HH2 TRP A 10 -5.898 10.541 -8.279 1.00 51.12 H new ATOM 192 N LEU A 11 1.380 11.705 -13.566 1.00 20.10 N ATOM 193 CA LEU A 11 2.449 12.120 -14.468 1.00 74.13 C ATOM 194 C LEU A 11 2.164 11.664 -15.896 1.00 14.12 C ATOM 195 O LEU A 11 2.632 12.273 -16.858 1.00 2.11 O ATOM 196 CB LEU A 11 3.789 11.553 -13.998 1.00 21.22 C ATOM 197 CG LEU A 11 4.134 11.779 -12.525 1.00 51.03 C ATOM 198 CD1 LEU A 11 4.785 10.539 -11.933 1.00 44.10 C ATOM 199 CD2 LEU A 11 5.045 12.988 -12.371 1.00 0.04 C ATOM 0 H LEU A 11 1.443 10.735 -13.256 1.00 20.10 H new ATOM 0 HA LEU A 11 2.498 13.209 -14.456 1.00 74.13 H new ATOM 0 HB2 LEU A 11 3.795 10.480 -14.191 1.00 21.22 H new ATOM 0 HB3 LEU A 11 4.580 11.991 -14.607 1.00 21.22 H new ATOM 0 HG LEU A 11 3.210 11.974 -11.980 1.00 51.03 H new ATOM 0 HD11 LEU A 11 5.023 10.719 -10.885 1.00 44.10 H new ATOM 0 HD12 LEU A 11 4.099 9.696 -12.010 1.00 44.10 H new ATOM 0 HD13 LEU A 11 5.700 10.313 -12.480 1.00 44.10 H new ATOM 0 HD21 LEU A 11 5.280 13.134 -11.317 1.00 0.04 H new ATOM 0 HD22 LEU A 11 5.967 12.823 -12.929 1.00 0.04 H new ATOM 0 HD23 LEU A 11 4.541 13.874 -12.757 1.00 0.04 H new ATOM 211 N TYR A 12 1.391 10.591 -16.025 1.00 44.25 N ATOM 212 CA TYR A 12 1.044 10.054 -17.335 1.00 73.45 C ATOM 213 C TYR A 12 0.186 11.042 -18.120 1.00 3.01 C ATOM 214 O TYR A 12 0.180 11.036 -19.351 1.00 24.51 O ATOM 215 CB TYR A 12 0.301 8.725 -17.184 1.00 51.11 C ATOM 216 CG TYR A 12 -0.044 8.070 -18.503 1.00 5.24 C ATOM 217 CD1 TYR A 12 0.934 7.445 -19.267 1.00 11.11 C ATOM 218 CD2 TYR A 12 -1.347 8.076 -18.984 1.00 31.23 C ATOM 219 CE1 TYR A 12 0.624 6.846 -20.472 1.00 53.45 C ATOM 220 CE2 TYR A 12 -1.667 7.478 -20.188 1.00 2.25 C ATOM 221 CZ TYR A 12 -0.678 6.865 -20.928 1.00 41.34 C ATOM 222 OH TYR A 12 -0.991 6.269 -22.128 1.00 73.42 O ATOM 0 H TYR A 12 0.993 10.077 -15.239 1.00 44.25 H new ATOM 0 HA TYR A 12 1.969 9.886 -17.887 1.00 73.45 H new ATOM 0 HB2 TYR A 12 0.914 8.041 -16.597 1.00 51.11 H new ATOM 0 HB3 TYR A 12 -0.617 8.894 -16.621 1.00 51.11 H new ATOM 0 HD1 TYR A 12 1.954 7.427 -18.912 1.00 11.11 H new ATOM 0 HD2 TYR A 12 -2.123 8.556 -18.407 1.00 31.23 H new ATOM 0 HE1 TYR A 12 1.396 6.365 -21.054 1.00 53.45 H new ATOM 0 HE2 TYR A 12 -2.685 7.491 -20.547 1.00 2.25 H new ATOM 0 HH TYR A 12 -1.950 6.370 -22.303 1.00 73.42 H new ATOM 232 N SER A 13 -0.537 11.892 -17.397 1.00 61.53 N ATOM 233 CA SER A 13 -1.401 12.885 -18.024 1.00 32.11 C ATOM 234 C SER A 13 -0.973 14.298 -17.639 1.00 32.33 C ATOM 235 O SER A 13 -1.784 15.223 -17.631 1.00 11.21 O ATOM 236 CB SER A 13 -2.858 12.653 -17.618 1.00 60.33 C ATOM 237 OG SER A 13 -3.704 12.619 -18.754 1.00 54.04 O ATOM 0 H SER A 13 -0.541 11.913 -16.377 1.00 61.53 H new ATOM 0 HA SER A 13 -1.311 12.778 -19.105 1.00 32.11 H new ATOM 0 HB2 SER A 13 -2.941 11.714 -17.070 1.00 60.33 H new ATOM 0 HB3 SER A 13 -3.182 13.446 -16.943 1.00 60.33 H new ATOM 0 HG SER A 13 -4.629 12.468 -18.468 1.00 54.04 H new ATOM 243 N ALA A 14 0.307 14.455 -17.319 1.00 63.15 N ATOM 244 CA ALA A 14 0.845 15.754 -16.935 1.00 51.11 C ATOM 245 C ALA A 14 2.034 16.136 -17.809 1.00 45.42 C ATOM 246 O ALA A 14 2.215 17.305 -18.153 1.00 22.23 O ATOM 247 CB ALA A 14 1.247 15.746 -15.468 1.00 33.23 C ATOM 0 H ALA A 14 0.991 13.698 -17.318 1.00 63.15 H new ATOM 0 HA ALA A 14 0.065 16.501 -17.082 1.00 51.11 H new ATOM 0 HB1 ALA A 14 1.647 16.722 -15.195 1.00 33.23 H new ATOM 0 HB2 ALA A 14 0.374 15.527 -14.853 1.00 33.23 H new ATOM 0 HB3 ALA A 14 2.008 14.983 -15.303 1.00 33.23 H new ATOM 253 N PHE A 15 2.844 15.145 -18.165 1.00 70.45 N ATOM 254 CA PHE A 15 4.018 15.378 -18.999 1.00 30.35 C ATOM 255 C PHE A 15 3.676 15.219 -20.477 1.00 52.31 C ATOM 256 O PHE A 15 4.323 15.810 -21.342 1.00 2.13 O ATOM 257 CB PHE A 15 5.141 14.411 -18.617 1.00 34.42 C ATOM 258 CG PHE A 15 6.314 15.082 -17.963 1.00 10.52 C ATOM 259 CD1 PHE A 15 7.209 15.827 -18.713 1.00 45.22 C ATOM 260 CD2 PHE A 15 6.522 14.969 -16.598 1.00 32.24 C ATOM 261 CE1 PHE A 15 8.290 16.447 -18.114 1.00 41.15 C ATOM 262 CE2 PHE A 15 7.600 15.587 -15.993 1.00 63.33 C ATOM 263 CZ PHE A 15 8.486 16.326 -16.753 1.00 22.32 C ATOM 0 H PHE A 15 2.709 14.172 -17.889 1.00 70.45 H new ATOM 0 HA PHE A 15 4.355 16.401 -18.830 1.00 30.35 H new ATOM 0 HB2 PHE A 15 4.743 13.654 -17.942 1.00 34.42 H new ATOM 0 HB3 PHE A 15 5.483 13.892 -19.512 1.00 34.42 H new ATOM 0 HD1 PHE A 15 7.061 15.925 -19.778 1.00 45.22 H new ATOM 0 HD2 PHE A 15 5.833 14.391 -15.999 1.00 32.24 H new ATOM 0 HE1 PHE A 15 8.980 17.025 -18.710 1.00 41.15 H new ATOM 0 HE2 PHE A 15 7.750 15.492 -14.928 1.00 63.33 H new ATOM 0 HZ PHE A 15 9.330 16.808 -16.283 1.00 22.32 H new ATOM 273 N ARG A 16 2.654 14.417 -20.759 1.00 44.23 N ATOM 274 CA ARG A 16 2.227 14.179 -22.133 1.00 32.04 C ATOM 275 C ARG A 16 1.464 15.381 -22.681 1.00 12.33 C ATOM 276 O ARG A 16 1.603 15.737 -23.850 1.00 40.40 O ATOM 277 CB ARG A 16 1.350 12.928 -22.206 1.00 74.14 C ATOM 278 CG ARG A 16 0.907 12.576 -23.617 1.00 44.45 C ATOM 279 CD ARG A 16 1.999 11.837 -24.375 1.00 50.24 C ATOM 280 NE ARG A 16 1.481 10.665 -25.076 1.00 23.12 N ATOM 281 CZ ARG A 16 2.255 9.716 -25.591 1.00 74.23 C ATOM 282 NH1 ARG A 16 3.574 9.800 -25.485 1.00 15.21 N ATOM 283 NH2 ARG A 16 1.709 8.679 -26.214 1.00 52.24 N ATOM 0 H ARG A 16 2.107 13.922 -20.055 1.00 44.23 H new ATOM 0 HA ARG A 16 3.117 14.027 -22.743 1.00 32.04 H new ATOM 0 HB2 ARG A 16 1.898 12.085 -21.786 1.00 74.14 H new ATOM 0 HB3 ARG A 16 0.468 13.076 -21.584 1.00 74.14 H new ATOM 0 HG2 ARG A 16 0.010 11.958 -23.575 1.00 44.45 H new ATOM 0 HG3 ARG A 16 0.642 13.487 -24.154 1.00 44.45 H new ATOM 0 HD2 ARG A 16 2.463 12.513 -25.093 1.00 50.24 H new ATOM 0 HD3 ARG A 16 2.778 11.528 -23.678 1.00 50.24 H new ATOM 0 HE ARG A 16 0.470 10.570 -25.176 1.00 23.12 H new ATOM 0 HH11 ARG A 16 3.998 10.595 -25.007 1.00 15.21 H new ATOM 0 HH12 ARG A 16 4.165 9.069 -25.882 1.00 15.21 H new ATOM 0 HH21 ARG A 16 0.695 8.610 -26.298 1.00 52.24 H new ATOM 0 HH22 ARG A 16 2.304 7.951 -26.609 1.00 52.24 H new ATOM 297 N GLY A 17 0.656 16.003 -21.827 1.00 21.13 N ATOM 298 CA GLY A 17 -0.118 17.158 -22.244 1.00 25.32 C ATOM 299 C GLY A 17 0.755 18.284 -22.760 1.00 42.34 C ATOM 300 O GLY A 17 0.287 19.156 -23.494 1.00 24.53 O ATOM 0 H GLY A 17 0.524 15.727 -20.854 1.00 21.13 H new ATOM 0 HA2 GLY A 17 -0.819 16.860 -23.023 1.00 25.32 H new ATOM 0 HA3 GLY A 17 -0.710 17.518 -21.403 1.00 25.32 H new ATOM 304 N VAL A 18 2.028 18.269 -22.376 1.00 54.02 N ATOM 305 CA VAL A 18 2.968 19.297 -22.805 1.00 0.52 C ATOM 306 C VAL A 18 3.888 18.777 -23.904 1.00 11.43 C ATOM 307 O VAL A 18 4.024 19.398 -24.958 1.00 14.14 O ATOM 308 CB VAL A 18 3.825 19.800 -21.628 1.00 23.21 C ATOM 309 CG1 VAL A 18 4.657 21.002 -22.048 1.00 11.22 C ATOM 310 CG2 VAL A 18 2.945 20.141 -20.435 1.00 73.42 C ATOM 0 H VAL A 18 2.431 17.556 -21.769 1.00 54.02 H new ATOM 0 HA VAL A 18 2.376 20.125 -23.194 1.00 0.52 H new ATOM 0 HB VAL A 18 4.506 19.003 -21.331 1.00 23.21 H new ATOM 0 HG11 VAL A 18 5.256 21.343 -21.203 1.00 11.22 H new ATOM 0 HG12 VAL A 18 5.316 20.719 -22.869 1.00 11.22 H new ATOM 0 HG13 VAL A 18 3.997 21.806 -22.373 1.00 11.22 H new ATOM 0 HG21 VAL A 18 3.567 20.495 -19.613 1.00 73.42 H new ATOM 0 HG22 VAL A 18 2.237 20.921 -20.716 1.00 73.42 H new ATOM 0 HG23 VAL A 18 2.399 19.252 -20.120 1.00 73.42 H new ATOM 320 N GLN A 19 4.517 17.635 -23.650 1.00 30.54 N ATOM 321 CA GLN A 19 5.425 17.031 -24.618 1.00 73.00 C ATOM 322 C GLN A 19 4.649 16.335 -25.731 1.00 54.34 C ATOM 323 O GLN A 19 4.758 15.122 -25.914 1.00 51.03 O ATOM 324 CB GLN A 19 6.352 16.031 -23.925 1.00 43.32 C ATOM 325 CG GLN A 19 7.642 15.769 -24.686 1.00 52.35 C ATOM 326 CD GLN A 19 8.870 16.246 -23.936 1.00 73.20 C ATOM 327 OE1 GLN A 19 9.375 17.342 -24.181 1.00 71.32 O ATOM 328 NE2 GLN A 19 9.357 15.423 -23.015 1.00 23.12 N ATOM 0 H GLN A 19 4.415 17.109 -22.782 1.00 30.54 H new ATOM 0 HA GLN A 19 6.025 17.826 -25.060 1.00 73.00 H new ATOM 0 HB2 GLN A 19 6.596 16.404 -22.930 1.00 43.32 H new ATOM 0 HB3 GLN A 19 5.821 15.089 -23.791 1.00 43.32 H new ATOM 0 HG2 GLN A 19 7.733 14.701 -24.882 1.00 52.35 H new ATOM 0 HG3 GLN A 19 7.596 16.268 -25.654 1.00 52.35 H new ATOM 0 HE21 GLN A 19 8.906 14.524 -22.845 1.00 23.12 H new ATOM 0 HE22 GLN A 19 10.182 15.690 -22.477 1.00 23.12 H new ATOM 337 N LEU A 20 3.865 17.110 -26.473 1.00 13.23 N ATOM 338 CA LEU A 20 3.069 16.568 -27.569 1.00 43.40 C ATOM 339 C LEU A 20 2.276 17.671 -28.263 1.00 43.12 C ATOM 340 O LEU A 20 2.213 17.727 -29.492 1.00 23.21 O ATOM 341 CB LEU A 20 2.117 15.490 -27.050 1.00 22.52 C ATOM 342 CG LEU A 20 1.001 15.064 -28.004 1.00 72.20 C ATOM 343 CD1 LEU A 20 1.047 13.563 -28.244 1.00 21.21 C ATOM 344 CD2 LEU A 20 -0.357 15.476 -27.454 1.00 41.32 C ATOM 0 H LEU A 20 3.764 18.116 -26.336 1.00 13.23 H new ATOM 0 HA LEU A 20 3.750 16.123 -28.295 1.00 43.40 H new ATOM 0 HB2 LEU A 20 2.704 14.608 -26.793 1.00 22.52 H new ATOM 0 HB3 LEU A 20 1.661 15.850 -26.127 1.00 22.52 H new ATOM 0 HG LEU A 20 1.153 15.569 -28.958 1.00 72.20 H new ATOM 0 HD11 LEU A 20 0.245 13.279 -28.925 1.00 21.21 H new ATOM 0 HD12 LEU A 20 2.008 13.294 -28.682 1.00 21.21 H new ATOM 0 HD13 LEU A 20 0.921 13.039 -27.297 1.00 21.21 H new ATOM 0 HD21 LEU A 20 -1.139 15.165 -28.146 1.00 41.32 H new ATOM 0 HD22 LEU A 20 -0.518 15.000 -26.487 1.00 41.32 H new ATOM 0 HD23 LEU A 20 -0.388 16.559 -27.335 1.00 41.32 H new ATOM 356 N THR A 21 1.673 18.550 -27.468 1.00 62.42 N ATOM 357 CA THR A 21 0.885 19.652 -28.006 1.00 23.34 C ATOM 358 C THR A 21 1.784 20.772 -28.517 1.00 11.05 C ATOM 359 O THR A 21 1.304 21.763 -29.068 1.00 24.00 O ATOM 360 CB THR A 21 -0.077 20.223 -26.947 1.00 22.00 C ATOM 361 OG1 THR A 21 -0.503 19.183 -26.060 1.00 24.22 O ATOM 362 CG2 THR A 21 -1.290 20.862 -27.607 1.00 25.14 C ATOM 0 H THR A 21 1.715 18.520 -26.449 1.00 62.42 H new ATOM 0 HA THR A 21 0.303 19.250 -28.836 1.00 23.34 H new ATOM 0 HB THR A 21 0.454 20.988 -26.380 1.00 22.00 H new ATOM 0 HG1 THR A 21 -0.326 19.450 -25.134 1.00 24.22 H new ATOM 0 HG21 THR A 21 -1.955 21.258 -26.840 1.00 25.14 H new ATOM 0 HG22 THR A 21 -0.965 21.673 -28.259 1.00 25.14 H new ATOM 0 HG23 THR A 21 -1.820 20.114 -28.196 1.00 25.14 H new ATOM 370 N TYR A 22 3.089 20.609 -28.331 1.00 31.54 N ATOM 371 CA TYR A 22 4.055 21.608 -28.772 1.00 31.34 C ATOM 372 C TYR A 22 5.168 20.964 -29.593 1.00 2.15 C ATOM 373 O TYR A 22 5.706 21.575 -30.515 1.00 52.43 O ATOM 374 CB TYR A 22 4.651 22.338 -27.567 1.00 21.31 C ATOM 375 CG TYR A 22 4.956 23.795 -27.832 1.00 24.30 C ATOM 376 CD1 TYR A 22 3.980 24.650 -28.329 1.00 23.21 C ATOM 377 CD2 TYR A 22 6.221 24.316 -27.587 1.00 34.04 C ATOM 378 CE1 TYR A 22 4.255 25.982 -28.573 1.00 73.54 C ATOM 379 CE2 TYR A 22 6.503 25.647 -27.827 1.00 25.44 C ATOM 380 CZ TYR A 22 5.517 26.475 -28.320 1.00 44.32 C ATOM 381 OH TYR A 22 5.796 27.801 -28.562 1.00 13.01 O ATOM 0 H TYR A 22 3.502 19.794 -27.878 1.00 31.54 H new ATOM 0 HA TYR A 22 3.533 22.328 -29.403 1.00 31.34 H new ATOM 0 HB2 TYR A 22 3.956 22.267 -26.730 1.00 21.31 H new ATOM 0 HB3 TYR A 22 5.568 21.833 -27.264 1.00 21.31 H new ATOM 0 HD1 TYR A 22 2.990 24.267 -28.528 1.00 23.21 H new ATOM 0 HD2 TYR A 22 6.996 23.670 -27.203 1.00 34.04 H new ATOM 0 HE1 TYR A 22 3.485 26.633 -28.960 1.00 73.54 H new ATOM 0 HE2 TYR A 22 7.491 26.037 -27.629 1.00 25.44 H new ATOM 0 HH TYR A 22 6.730 27.986 -28.330 1.00 13.01 H new ATOM 391 N GLU A 23 5.508 19.726 -29.249 1.00 34.41 N ATOM 392 CA GLU A 23 6.557 18.998 -29.954 1.00 11.53 C ATOM 393 C GLU A 23 6.335 19.049 -31.463 1.00 12.34 C ATOM 394 O GLU A 23 7.288 19.063 -32.242 1.00 4.34 O ATOM 395 CB GLU A 23 6.604 17.543 -29.483 1.00 3.41 C ATOM 396 CG GLU A 23 5.532 16.666 -30.107 1.00 41.44 C ATOM 397 CD GLU A 23 5.615 15.225 -29.645 1.00 20.34 C ATOM 398 OE1 GLU A 23 6.351 14.956 -28.672 1.00 13.02 O ATOM 399 OE2 GLU A 23 4.945 14.366 -30.255 1.00 21.32 O ATOM 0 H GLU A 23 5.073 19.206 -28.487 1.00 34.41 H new ATOM 0 HA GLU A 23 7.510 19.476 -29.728 1.00 11.53 H new ATOM 0 HB2 GLU A 23 7.584 17.126 -29.716 1.00 3.41 H new ATOM 0 HB3 GLU A 23 6.497 17.517 -28.399 1.00 3.41 H new ATOM 0 HG2 GLU A 23 4.550 17.067 -29.858 1.00 41.44 H new ATOM 0 HG3 GLU A 23 5.625 16.701 -31.192 1.00 41.44 H new ATOM 406 N HIS A 24 5.069 19.076 -31.868 1.00 1.31 N ATOM 407 CA HIS A 24 4.721 19.126 -33.283 1.00 74.44 C ATOM 408 C HIS A 24 5.426 20.288 -33.976 1.00 75.34 C ATOM 409 O HIS A 24 5.840 20.178 -35.131 1.00 75.20 O ATOM 410 CB HIS A 24 3.207 19.258 -33.453 1.00 72.33 C ATOM 411 CG HIS A 24 2.655 20.547 -32.928 1.00 5.33 C ATOM 412 ND1 HIS A 24 2.154 21.539 -33.743 1.00 53.35 N ATOM 413 CD2 HIS A 24 2.527 21.004 -31.660 1.00 20.10 C ATOM 414 CE1 HIS A 24 1.742 22.551 -33.000 1.00 41.14 C ATOM 415 NE2 HIS A 24 1.957 22.251 -31.732 1.00 41.12 N ATOM 0 H HIS A 24 4.268 19.064 -31.237 1.00 1.31 H new ATOM 0 HA HIS A 24 5.052 18.196 -33.746 1.00 74.44 H new ATOM 0 HB2 HIS A 24 2.960 19.171 -34.511 1.00 72.33 H new ATOM 0 HB3 HIS A 24 2.719 18.428 -32.942 1.00 72.33 H new ATOM 0 HD2 HIS A 24 2.819 20.484 -30.759 1.00 20.10 H new ATOM 0 HE1 HIS A 24 1.304 23.467 -33.367 1.00 41.14 H new ATOM 0 HE2 HIS A 24 1.736 22.849 -30.936 1.00 41.12 H new ATOM 423 N THR A 25 5.559 21.403 -33.264 1.00 75.52 N ATOM 424 CA THR A 25 6.211 22.585 -33.811 1.00 2.41 C ATOM 425 C THR A 25 7.145 23.220 -32.787 1.00 42.52 C ATOM 426 O THR A 25 6.791 24.202 -32.135 1.00 42.44 O ATOM 427 CB THR A 25 5.181 23.635 -34.269 1.00 35.50 C ATOM 428 OG1 THR A 25 4.370 24.042 -33.161 1.00 22.42 O ATOM 429 CG2 THR A 25 4.295 23.077 -35.373 1.00 42.14 C ATOM 0 H THR A 25 5.223 21.511 -32.307 1.00 75.52 H new ATOM 0 HA THR A 25 6.790 22.255 -34.674 1.00 2.41 H new ATOM 0 HB THR A 25 5.722 24.497 -34.659 1.00 35.50 H new ATOM 0 HG1 THR A 25 4.945 24.366 -32.437 1.00 22.42 H new ATOM 0 HG21 THR A 25 3.575 23.836 -35.681 1.00 42.14 H new ATOM 0 HG22 THR A 25 4.911 22.794 -36.226 1.00 42.14 H new ATOM 0 HG23 THR A 25 3.762 22.200 -35.004 1.00 42.14 H new ATOM 437 N MET A 26 8.340 22.654 -32.652 1.00 12.14 N ATOM 438 CA MET A 26 9.326 23.167 -31.708 1.00 12.44 C ATOM 439 C MET A 26 10.723 23.155 -32.320 1.00 53.32 C ATOM 440 O MET A 26 11.254 24.200 -32.700 1.00 61.40 O ATOM 441 CB MET A 26 9.313 22.338 -30.422 1.00 73.11 C ATOM 442 CG MET A 26 8.626 23.033 -29.257 1.00 63.24 C ATOM 443 SD MET A 26 9.744 23.341 -27.876 1.00 53.44 S ATOM 444 CE MET A 26 10.963 24.396 -28.657 1.00 25.51 C ATOM 0 H MET A 26 8.649 21.840 -33.184 1.00 12.14 H new ATOM 0 HA MET A 26 9.062 24.197 -31.470 1.00 12.44 H new ATOM 0 HB2 MET A 26 8.811 21.390 -30.616 1.00 73.11 H new ATOM 0 HB3 MET A 26 10.340 22.104 -30.140 1.00 73.11 H new ATOM 0 HG2 MET A 26 8.208 23.980 -29.599 1.00 63.24 H new ATOM 0 HG3 MET A 26 7.792 22.421 -28.915 1.00 63.24 H new ATOM 0 HE1 MET A 26 11.444 25.017 -27.901 1.00 25.51 H new ATOM 0 HE2 MET A 26 11.713 23.780 -29.152 1.00 25.51 H new ATOM 0 HE3 MET A 26 10.474 25.034 -29.393 1.00 25.51 H new ATOM 454 N LEU A 27 11.313 21.969 -32.413 1.00 73.22 N ATOM 455 CA LEU A 27 12.649 21.821 -32.980 1.00 12.02 C ATOM 456 C LEU A 27 12.577 21.532 -34.476 1.00 20.02 C ATOM 457 O LEU A 27 13.599 21.310 -35.124 1.00 24.12 O ATOM 458 CB LEU A 27 13.405 20.698 -32.268 1.00 11.14 C ATOM 459 CG LEU A 27 14.404 21.136 -31.196 1.00 44.24 C ATOM 460 CD1 LEU A 27 15.568 21.886 -31.827 1.00 31.44 C ATOM 461 CD2 LEU A 27 13.718 21.998 -30.147 1.00 52.31 C ATOM 0 H LEU A 27 10.888 21.095 -32.103 1.00 73.22 H new ATOM 0 HA LEU A 27 13.184 22.760 -32.835 1.00 12.02 H new ATOM 0 HB2 LEU A 27 12.676 20.032 -31.806 1.00 11.14 H new ATOM 0 HB3 LEU A 27 13.940 20.115 -33.018 1.00 11.14 H new ATOM 0 HG LEU A 27 14.795 20.245 -30.705 1.00 44.24 H new ATOM 0 HD11 LEU A 27 16.269 22.190 -31.050 1.00 31.44 H new ATOM 0 HD12 LEU A 27 16.076 21.236 -32.540 1.00 31.44 H new ATOM 0 HD13 LEU A 27 15.194 22.770 -32.344 1.00 31.44 H new ATOM 0 HD21 LEU A 27 14.444 22.300 -29.393 1.00 52.31 H new ATOM 0 HD22 LEU A 27 13.298 22.885 -30.622 1.00 52.31 H new ATOM 0 HD23 LEU A 27 12.919 21.428 -29.673 1.00 52.31 H new ATOM 473 N GLN A 28 11.363 21.539 -35.017 1.00 21.31 N ATOM 474 CA GLN A 28 11.159 21.279 -36.437 1.00 71.31 C ATOM 475 C GLN A 28 11.103 22.582 -37.227 1.00 4.23 C ATOM 476 O GLN A 28 10.590 22.622 -38.345 1.00 63.12 O ATOM 477 CB GLN A 28 9.870 20.483 -36.651 1.00 51.53 C ATOM 478 CG GLN A 28 10.069 18.977 -36.605 1.00 4.20 C ATOM 479 CD GLN A 28 8.994 18.222 -37.361 1.00 51.52 C ATOM 480 OE1 GLN A 28 9.182 17.843 -38.517 1.00 61.24 O ATOM 481 NE2 GLN A 28 7.858 18.000 -36.711 1.00 14.40 N ATOM 0 H GLN A 28 10.507 21.722 -34.494 1.00 21.31 H new ATOM 0 HA GLN A 28 12.004 20.693 -36.798 1.00 71.31 H new ATOM 0 HB2 GLN A 28 9.146 20.769 -35.888 1.00 51.53 H new ATOM 0 HB3 GLN A 28 9.441 20.755 -37.615 1.00 51.53 H new ATOM 0 HG2 GLN A 28 11.044 18.730 -37.025 1.00 4.20 H new ATOM 0 HG3 GLN A 28 10.077 18.647 -35.566 1.00 4.20 H new ATOM 0 HE21 GLN A 28 7.745 18.332 -35.753 1.00 14.40 H new ATOM 0 HE22 GLN A 28 7.098 17.497 -37.169 1.00 14.40 H new ATOM 490 N LYS A 29 11.635 23.648 -36.638 1.00 15.25 N ATOM 491 CA LYS A 29 11.647 24.954 -37.285 1.00 50.43 C ATOM 492 C LYS A 29 10.234 25.388 -37.662 1.00 40.24 C ATOM 493 O LYS A 29 10.043 26.197 -38.571 1.00 22.21 O ATOM 494 CB LYS A 29 12.531 24.919 -38.534 1.00 3.03 C ATOM 495 CG LYS A 29 13.672 25.921 -38.500 1.00 1.34 C ATOM 496 CD LYS A 29 14.572 25.701 -37.295 1.00 63.25 C ATOM 497 CE LYS A 29 16.026 25.534 -37.710 1.00 22.23 C ATOM 498 NZ LYS A 29 16.675 26.843 -37.998 1.00 54.02 N ATOM 0 H LYS A 29 12.064 23.632 -35.713 1.00 15.25 H new ATOM 0 HA LYS A 29 12.054 25.678 -36.579 1.00 50.43 H new ATOM 0 HB2 LYS A 29 12.942 23.916 -38.650 1.00 3.03 H new ATOM 0 HB3 LYS A 29 11.914 25.113 -39.411 1.00 3.03 H new ATOM 0 HG2 LYS A 29 14.259 25.836 -39.414 1.00 1.34 H new ATOM 0 HG3 LYS A 29 13.268 26.933 -38.474 1.00 1.34 H new ATOM 0 HD2 LYS A 29 14.482 26.546 -36.613 1.00 63.25 H new ATOM 0 HD3 LYS A 29 14.244 24.816 -36.751 1.00 63.25 H new ATOM 0 HE2 LYS A 29 16.573 25.024 -36.917 1.00 22.23 H new ATOM 0 HE3 LYS A 29 16.081 24.899 -38.594 1.00 22.23 H new ATOM 0 HZ1 LYS A 29 17.664 26.686 -38.277 1.00 54.02 H new ATOM 0 HZ2 LYS A 29 16.168 27.319 -38.772 1.00 54.02 H new ATOM 0 HZ3 LYS A 29 16.646 27.440 -37.147 1.00 54.02 H new ATOM 512 N LYS A 30 9.246 24.847 -36.958 1.00 60.30 N ATOM 513 CA LYS A 30 7.850 25.179 -37.216 1.00 41.32 C ATOM 514 C LYS A 30 7.513 25.002 -38.693 1.00 51.53 C ATOM 515 O LYS A 30 6.487 24.416 -39.040 1.00 2.20 O ATOM 516 CB LYS A 30 7.559 26.618 -36.784 1.00 50.35 C ATOM 517 CG LYS A 30 6.291 26.762 -35.961 1.00 33.50 C ATOM 518 CD LYS A 30 6.601 26.929 -34.483 1.00 64.20 C ATOM 519 CE LYS A 30 5.333 27.119 -33.665 1.00 3.20 C ATOM 520 NZ LYS A 30 5.632 27.341 -32.223 1.00 54.20 N ATOM 0 H LYS A 30 9.386 24.176 -36.203 1.00 60.30 H new ATOM 0 HA LYS A 30 7.227 24.499 -36.635 1.00 41.32 H new ATOM 0 HB2 LYS A 30 8.403 26.992 -36.204 1.00 50.35 H new ATOM 0 HB3 LYS A 30 7.479 27.246 -37.672 1.00 50.35 H new ATOM 0 HG2 LYS A 30 5.723 27.623 -36.314 1.00 33.50 H new ATOM 0 HG3 LYS A 30 5.661 25.884 -36.105 1.00 33.50 H new ATOM 0 HD2 LYS A 30 7.140 26.053 -34.122 1.00 64.20 H new ATOM 0 HD3 LYS A 30 7.258 27.788 -34.343 1.00 64.20 H new ATOM 0 HE2 LYS A 30 4.773 27.969 -34.055 1.00 3.20 H new ATOM 0 HE3 LYS A 30 4.696 26.241 -33.773 1.00 3.20 H new ATOM 0 HZ1 LYS A 30 4.742 27.466 -31.699 1.00 54.20 H new ATOM 0 HZ2 LYS A 30 6.144 26.519 -31.844 1.00 54.20 H new ATOM 0 HZ3 LYS A 30 6.219 28.193 -32.117 1.00 54.20 H new TER 534 LYS A 30