USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 293 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+ -167:sc= -0.0253 (180deg=-0.232) 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 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 155:sc= 0.514 (180deg=0.161) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.691 X(o=-0.69,f=-0.52) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc=-0.000884 X(o=-0.00088,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 11.483 1.519 -6.599 1.00 2.14 N ATOM 2 CA LYS A 1 10.112 2.013 -6.553 1.00 20.11 C ATOM 3 C LYS A 1 9.126 0.920 -6.954 1.00 4.01 C ATOM 4 O LYS A 1 7.996 0.879 -6.467 1.00 43.41 O ATOM 5 CB LYS A 1 9.953 3.222 -7.477 1.00 54.30 C ATOM 6 CG LYS A 1 10.630 4.478 -6.957 1.00 43.43 C ATOM 7 CD LYS A 1 10.119 5.722 -7.665 1.00 73.45 C ATOM 8 CE LYS A 1 11.263 6.604 -8.140 1.00 24.24 C ATOM 9 NZ LYS A 1 11.789 6.167 -9.463 1.00 23.15 N ATOM 0 H1 LYS A 1 12.112 2.194 -6.119 1.00 2.14 H new ATOM 0 H2 LYS A 1 11.536 0.597 -6.121 1.00 2.14 H new ATOM 0 H3 LYS A 1 11.781 1.413 -7.590 1.00 2.14 H new ATOM 0 HA LYS A 1 9.895 2.315 -5.528 1.00 20.11 H new ATOM 0 HB2 LYS A 1 10.364 2.977 -8.456 1.00 54.30 H new ATOM 0 HB3 LYS A 1 8.891 3.424 -7.618 1.00 54.30 H new ATOM 0 HG2 LYS A 1 10.454 4.570 -5.885 1.00 43.43 H new ATOM 0 HG3 LYS A 1 11.708 4.396 -7.097 1.00 43.43 H new ATOM 0 HD2 LYS A 1 9.505 5.430 -8.517 1.00 73.45 H new ATOM 0 HD3 LYS A 1 9.478 6.289 -6.990 1.00 73.45 H new ATOM 0 HE2 LYS A 1 10.921 7.637 -8.208 1.00 24.24 H new ATOM 0 HE3 LYS A 1 12.067 6.583 -7.405 1.00 24.24 H new ATOM 0 HZ1 LYS A 1 12.567 6.794 -9.751 1.00 23.15 H new ATOM 0 HZ2 LYS A 1 12.139 5.190 -9.392 1.00 23.15 H new ATOM 0 HZ3 LYS A 1 11.028 6.212 -10.171 1.00 23.15 H new ATOM 23 N LYS A 2 9.562 0.034 -7.843 1.00 40.23 N ATOM 24 CA LYS A 2 8.720 -1.062 -8.308 1.00 52.53 C ATOM 25 C LYS A 2 9.552 -2.124 -9.019 1.00 24.15 C ATOM 26 O LYS A 2 9.152 -2.646 -10.059 1.00 30.52 O ATOM 27 CB LYS A 2 7.635 -0.534 -9.250 1.00 63.15 C ATOM 28 CG LYS A 2 8.183 0.259 -10.424 1.00 53.05 C ATOM 29 CD LYS A 2 7.735 -0.329 -11.752 1.00 63.30 C ATOM 30 CE LYS A 2 7.940 0.654 -12.895 1.00 35.25 C ATOM 31 NZ LYS A 2 8.538 -0.002 -14.090 1.00 42.11 N ATOM 0 H LYS A 2 10.494 0.054 -8.256 1.00 40.23 H new ATOM 0 HA LYS A 2 8.248 -1.518 -7.438 1.00 52.53 H new ATOM 0 HB2 LYS A 2 7.054 -1.375 -9.630 1.00 63.15 H new ATOM 0 HB3 LYS A 2 6.950 0.097 -8.684 1.00 63.15 H new ATOM 0 HG2 LYS A 2 7.849 1.294 -10.352 1.00 53.05 H new ATOM 0 HG3 LYS A 2 9.272 0.271 -10.379 1.00 53.05 H new ATOM 0 HD2 LYS A 2 8.293 -1.244 -11.953 1.00 63.30 H new ATOM 0 HD3 LYS A 2 6.682 -0.605 -11.692 1.00 63.30 H new ATOM 0 HE2 LYS A 2 6.983 1.100 -13.166 1.00 35.25 H new ATOM 0 HE3 LYS A 2 8.588 1.466 -12.564 1.00 35.25 H new ATOM 0 HZ1 LYS A 2 8.662 0.701 -14.846 1.00 42.11 H new ATOM 0 HZ2 LYS A 2 9.463 -0.406 -13.838 1.00 42.11 H new ATOM 0 HZ3 LYS A 2 7.908 -0.760 -14.422 1.00 42.11 H new ATOM 45 N TRP A 3 10.710 -2.440 -8.450 1.00 2.44 N ATOM 46 CA TRP A 3 11.598 -3.442 -9.029 1.00 0.55 C ATOM 47 C TRP A 3 11.106 -4.850 -8.717 1.00 34.43 C ATOM 48 O TRP A 3 11.334 -5.782 -9.487 1.00 31.55 O ATOM 49 CB TRP A 3 13.022 -3.257 -8.501 1.00 33.02 C ATOM 50 CG TRP A 3 13.983 -2.769 -9.542 1.00 54.51 C ATOM 51 CD1 TRP A 3 15.137 -3.379 -9.943 1.00 10.43 C ATOM 52 CD2 TRP A 3 13.873 -1.567 -10.313 1.00 73.34 C ATOM 53 NE1 TRP A 3 15.751 -2.629 -10.917 1.00 4.24 N ATOM 54 CE2 TRP A 3 14.995 -1.513 -11.163 1.00 24.35 C ATOM 55 CE3 TRP A 3 12.935 -0.533 -10.371 1.00 35.31 C ATOM 56 CZ2 TRP A 3 15.203 -0.466 -12.056 1.00 1.54 C ATOM 57 CZ3 TRP A 3 13.142 0.506 -11.258 1.00 3.04 C ATOM 58 CH2 TRP A 3 14.269 0.533 -12.091 1.00 14.53 C ATOM 0 H TRP A 3 11.056 -2.017 -7.589 1.00 2.44 H new ATOM 0 HA TRP A 3 11.599 -3.309 -10.111 1.00 0.55 H new ATOM 0 HB2 TRP A 3 13.005 -2.549 -7.672 1.00 33.02 H new ATOM 0 HB3 TRP A 3 13.380 -4.206 -8.103 1.00 33.02 H new ATOM 0 HD1 TRP A 3 15.512 -4.313 -9.552 1.00 10.43 H new ATOM 0 HE1 TRP A 3 16.628 -2.865 -11.382 1.00 4.24 H new ATOM 0 HE3 TRP A 3 12.063 -0.546 -9.734 1.00 35.31 H new ATOM 0 HZ2 TRP A 3 16.071 -0.443 -12.698 1.00 1.54 H new ATOM 0 HZ3 TRP A 3 12.424 1.311 -11.310 1.00 3.04 H new ATOM 0 HH2 TRP A 3 14.403 1.359 -12.774 1.00 14.53 H new ATOM 69 N GLY A 4 10.428 -4.999 -7.582 1.00 42.32 N ATOM 70 CA GLY A 4 9.914 -6.298 -7.189 1.00 43.24 C ATOM 71 C GLY A 4 8.409 -6.395 -7.338 1.00 12.34 C ATOM 72 O GLY A 4 7.865 -7.484 -7.519 1.00 64.20 O ATOM 0 H GLY A 4 10.226 -4.243 -6.928 1.00 42.32 H new ATOM 0 HA2 GLY A 4 10.387 -7.071 -7.795 1.00 43.24 H new ATOM 0 HA3 GLY A 4 10.187 -6.495 -6.152 1.00 43.24 H new ATOM 76 N TRP A 5 7.734 -5.254 -7.259 1.00 12.25 N ATOM 77 CA TRP A 5 6.281 -5.215 -7.383 1.00 61.24 C ATOM 78 C TRP A 5 5.844 -5.632 -8.783 1.00 71.32 C ATOM 79 O TRP A 5 4.840 -6.326 -8.950 1.00 32.22 O ATOM 80 CB TRP A 5 5.759 -3.812 -7.069 1.00 72.34 C ATOM 81 CG TRP A 5 4.298 -3.643 -7.361 1.00 24.22 C ATOM 82 CD1 TRP A 5 3.318 -4.581 -7.207 1.00 30.41 C ATOM 83 CD2 TRP A 5 3.655 -2.465 -7.858 1.00 74.01 C ATOM 84 NE1 TRP A 5 2.103 -4.057 -7.579 1.00 23.43 N ATOM 85 CE2 TRP A 5 2.283 -2.760 -7.981 1.00 73.41 C ATOM 86 CE3 TRP A 5 4.103 -1.189 -8.209 1.00 52.13 C ATOM 87 CZ2 TRP A 5 1.359 -1.826 -8.442 1.00 32.15 C ATOM 88 CZ3 TRP A 5 3.185 -0.263 -8.666 1.00 54.14 C ATOM 89 CH2 TRP A 5 1.825 -0.585 -8.778 1.00 44.45 C ATOM 0 H TRP A 5 8.169 -4.344 -7.110 1.00 12.25 H new ATOM 0 HA TRP A 5 5.860 -5.920 -6.666 1.00 61.24 H new ATOM 0 HB2 TRP A 5 5.940 -3.592 -6.017 1.00 72.34 H new ATOM 0 HB3 TRP A 5 6.325 -3.083 -7.649 1.00 72.34 H new ATOM 0 HD1 TRP A 5 3.474 -5.587 -6.846 1.00 30.41 H new ATOM 0 HE1 TRP A 5 1.212 -4.553 -7.559 1.00 23.43 H new ATOM 0 HE3 TRP A 5 5.148 -0.931 -8.125 1.00 52.13 H new ATOM 0 HZ2 TRP A 5 0.311 -2.073 -8.531 1.00 32.15 H new ATOM 0 HZ3 TRP A 5 3.521 0.726 -8.942 1.00 54.14 H new ATOM 0 HH2 TRP A 5 1.132 0.162 -9.137 1.00 44.45 H new ATOM 100 N LEU A 6 6.603 -5.206 -9.787 1.00 34.11 N ATOM 101 CA LEU A 6 6.293 -5.536 -11.174 1.00 30.33 C ATOM 102 C LEU A 6 6.797 -6.932 -11.527 1.00 10.12 C ATOM 103 O LEU A 6 6.250 -7.596 -12.406 1.00 74.13 O ATOM 104 CB LEU A 6 6.915 -4.504 -12.115 1.00 51.35 C ATOM 105 CG LEU A 6 7.019 -4.912 -13.585 1.00 74.33 C ATOM 106 CD1 LEU A 6 5.658 -5.331 -14.120 1.00 52.53 C ATOM 107 CD2 LEU A 6 7.593 -3.774 -14.416 1.00 25.20 C ATOM 0 H LEU A 6 7.437 -4.632 -9.667 1.00 34.11 H new ATOM 0 HA LEU A 6 5.210 -5.520 -11.292 1.00 30.33 H new ATOM 0 HB2 LEU A 6 6.329 -3.587 -12.054 1.00 51.35 H new ATOM 0 HB3 LEU A 6 7.916 -4.268 -11.753 1.00 51.35 H new ATOM 0 HG LEU A 6 7.694 -5.765 -13.658 1.00 74.33 H new ATOM 0 HD11 LEU A 6 5.751 -5.618 -15.167 1.00 52.53 H new ATOM 0 HD12 LEU A 6 5.285 -6.178 -13.544 1.00 52.53 H new ATOM 0 HD13 LEU A 6 4.961 -4.498 -14.033 1.00 52.53 H new ATOM 0 HD21 LEU A 6 7.660 -4.083 -15.459 1.00 25.20 H new ATOM 0 HD22 LEU A 6 6.944 -2.902 -14.336 1.00 25.20 H new ATOM 0 HD23 LEU A 6 8.587 -3.521 -14.048 1.00 25.20 H new ATOM 119 N ALA A 7 7.842 -7.371 -10.833 1.00 62.03 N ATOM 120 CA ALA A 7 8.417 -8.689 -11.071 1.00 22.25 C ATOM 121 C ALA A 7 7.570 -9.782 -10.427 1.00 2.45 C ATOM 122 O ALA A 7 7.618 -10.941 -10.838 1.00 42.32 O ATOM 123 CB ALA A 7 9.844 -8.745 -10.544 1.00 74.41 C ATOM 0 H ALA A 7 8.307 -6.833 -10.102 1.00 62.03 H new ATOM 0 HA ALA A 7 8.431 -8.863 -12.147 1.00 22.25 H new ATOM 0 HB1 ALA A 7 10.261 -9.735 -10.728 1.00 74.41 H new ATOM 0 HB2 ALA A 7 10.450 -7.995 -11.053 1.00 74.41 H new ATOM 0 HB3 ALA A 7 9.844 -8.545 -9.473 1.00 74.41 H new ATOM 129 N TRP A 8 6.797 -9.405 -9.415 1.00 12.50 N ATOM 130 CA TRP A 8 5.939 -10.353 -8.714 1.00 25.54 C ATOM 131 C TRP A 8 4.573 -10.451 -9.384 1.00 24.24 C ATOM 132 O TRP A 8 3.655 -11.079 -8.855 1.00 44.23 O ATOM 133 CB TRP A 8 5.775 -9.939 -7.250 1.00 42.05 C ATOM 134 CG TRP A 8 7.011 -10.154 -6.430 1.00 11.20 C ATOM 135 CD1 TRP A 8 8.008 -11.056 -6.670 1.00 52.44 C ATOM 136 CD2 TRP A 8 7.379 -9.454 -5.236 1.00 61.32 C ATOM 137 NE1 TRP A 8 8.974 -10.959 -5.698 1.00 13.01 N ATOM 138 CE2 TRP A 8 8.612 -9.983 -4.807 1.00 21.40 C ATOM 139 CE3 TRP A 8 6.789 -8.431 -4.489 1.00 73.44 C ATOM 140 CZ2 TRP A 8 9.262 -9.524 -3.664 1.00 53.35 C ATOM 141 CZ3 TRP A 8 7.435 -7.976 -3.356 1.00 34.54 C ATOM 142 CH2 TRP A 8 8.661 -8.522 -2.952 1.00 52.53 C ATOM 0 H TRP A 8 6.747 -8.450 -9.062 1.00 12.50 H new ATOM 0 HA TRP A 8 6.414 -11.333 -8.756 1.00 25.54 H new ATOM 0 HB2 TRP A 8 5.497 -8.886 -7.207 1.00 42.05 H new ATOM 0 HB3 TRP A 8 4.953 -10.504 -6.810 1.00 42.05 H new ATOM 0 HD1 TRP A 8 8.033 -11.744 -7.502 1.00 52.44 H new ATOM 0 HE1 TRP A 8 9.823 -11.522 -5.648 1.00 13.01 H new ATOM 0 HE3 TRP A 8 5.845 -8.004 -4.792 1.00 73.44 H new ATOM 0 HZ2 TRP A 8 10.206 -9.944 -3.351 1.00 53.35 H new ATOM 0 HZ3 TRP A 8 6.988 -7.186 -2.771 1.00 34.54 H new ATOM 0 HH2 TRP A 8 9.141 -8.144 -2.061 1.00 52.53 H new ATOM 153 N VAL A 9 4.445 -9.827 -10.550 1.00 40.12 N ATOM 154 CA VAL A 9 3.191 -9.845 -11.293 1.00 74.10 C ATOM 155 C VAL A 9 3.119 -11.052 -12.221 1.00 60.43 C ATOM 156 O VAL A 9 2.071 -11.684 -12.356 1.00 13.33 O ATOM 157 CB VAL A 9 3.012 -8.561 -12.124 1.00 51.13 C ATOM 158 CG1 VAL A 9 1.743 -8.637 -12.959 1.00 74.20 C ATOM 159 CG2 VAL A 9 2.991 -7.339 -11.219 1.00 5.15 C ATOM 0 H VAL A 9 5.195 -9.302 -11.001 1.00 40.12 H new ATOM 0 HA VAL A 9 2.389 -9.907 -10.558 1.00 74.10 H new ATOM 0 HB VAL A 9 3.860 -8.468 -12.803 1.00 51.13 H new ATOM 0 HG11 VAL A 9 1.634 -7.721 -13.539 1.00 74.20 H new ATOM 0 HG12 VAL A 9 1.803 -9.490 -13.635 1.00 74.20 H new ATOM 0 HG13 VAL A 9 0.882 -8.755 -12.302 1.00 74.20 H new ATOM 0 HG21 VAL A 9 2.864 -6.441 -11.823 1.00 5.15 H new ATOM 0 HG22 VAL A 9 2.164 -7.422 -10.514 1.00 5.15 H new ATOM 0 HG23 VAL A 9 3.931 -7.277 -10.670 1.00 5.15 H new ATOM 169 N ASP A 10 4.241 -11.368 -12.859 1.00 75.23 N ATOM 170 CA ASP A 10 4.306 -12.502 -13.775 1.00 3.53 C ATOM 171 C ASP A 10 5.743 -12.762 -14.215 1.00 45.31 C ATOM 172 O ASP A 10 6.136 -12.466 -15.344 1.00 10.21 O ATOM 173 CB ASP A 10 3.423 -12.249 -14.997 1.00 51.14 C ATOM 174 CG ASP A 10 2.061 -12.903 -14.873 1.00 12.34 C ATOM 175 OD1 ASP A 10 1.993 -14.148 -14.933 1.00 41.12 O ATOM 176 OD2 ASP A 10 1.062 -12.169 -14.715 1.00 42.01 O ATOM 0 H ASP A 10 5.117 -10.856 -12.759 1.00 75.23 H new ATOM 0 HA ASP A 10 3.940 -13.384 -13.249 1.00 3.53 H new ATOM 0 HB2 ASP A 10 3.296 -11.175 -15.134 1.00 51.14 H new ATOM 0 HB3 ASP A 10 3.924 -12.627 -15.888 1.00 51.14 H new ATOM 181 N PRO A 11 6.549 -13.328 -13.304 1.00 13.42 N ATOM 182 CA PRO A 11 7.955 -13.639 -13.575 1.00 62.51 C ATOM 183 C PRO A 11 8.114 -14.784 -14.570 1.00 34.43 C ATOM 184 O PRO A 11 9.069 -14.818 -15.345 1.00 54.31 O ATOM 185 CB PRO A 11 8.500 -14.044 -12.203 1.00 11.10 C ATOM 186 CG PRO A 11 7.309 -14.529 -11.451 1.00 0.25 C ATOM 187 CD PRO A 11 6.148 -13.707 -11.939 1.00 21.04 C ATOM 0 HA PRO A 11 8.479 -12.796 -14.025 1.00 62.51 H new ATOM 0 HB2 PRO A 11 9.257 -14.824 -12.292 1.00 11.10 H new ATOM 0 HB3 PRO A 11 8.970 -13.200 -11.699 1.00 11.10 H new ATOM 0 HG2 PRO A 11 7.139 -15.590 -11.632 1.00 0.25 H new ATOM 0 HG3 PRO A 11 7.449 -14.407 -10.377 1.00 0.25 H new ATOM 0 HD2 PRO A 11 5.221 -14.280 -11.937 1.00 21.04 H new ATOM 0 HD3 PRO A 11 5.983 -12.832 -11.311 1.00 21.04 H new ATOM 195 N ALA A 12 7.171 -15.721 -14.542 1.00 1.10 N ATOM 196 CA ALA A 12 7.205 -16.866 -15.443 1.00 63.01 C ATOM 197 C ALA A 12 7.073 -16.425 -16.897 1.00 10.22 C ATOM 198 O ALA A 12 7.788 -16.914 -17.772 1.00 3.33 O ATOM 199 CB ALA A 12 6.103 -17.852 -15.086 1.00 55.32 C ATOM 0 H ALA A 12 6.374 -15.709 -13.905 1.00 1.10 H new ATOM 0 HA ALA A 12 8.170 -17.359 -15.327 1.00 63.01 H new ATOM 0 HB1 ALA A 12 6.141 -18.702 -15.767 1.00 55.32 H new ATOM 0 HB2 ALA A 12 6.244 -18.200 -14.063 1.00 55.32 H new ATOM 0 HB3 ALA A 12 5.134 -17.361 -15.172 1.00 55.32 H new ATOM 205 N TYR A 13 6.154 -15.499 -17.148 1.00 30.22 N ATOM 206 CA TYR A 13 5.926 -14.994 -18.497 1.00 31.54 C ATOM 207 C TYR A 13 7.234 -14.542 -19.137 1.00 44.23 C ATOM 208 O TYR A 13 7.676 -15.107 -20.137 1.00 51.12 O ATOM 209 CB TYR A 13 4.931 -13.833 -18.468 1.00 33.33 C ATOM 210 CG TYR A 13 4.134 -13.687 -19.744 1.00 52.13 C ATOM 211 CD1 TYR A 13 4.770 -13.574 -20.974 1.00 43.23 C ATOM 212 CD2 TYR A 13 2.745 -13.661 -19.721 1.00 10.44 C ATOM 213 CE1 TYR A 13 4.047 -13.439 -22.143 1.00 75.14 C ATOM 214 CE2 TYR A 13 2.013 -13.528 -20.885 1.00 1.23 C ATOM 215 CZ TYR A 13 2.668 -13.417 -22.093 1.00 63.24 C ATOM 216 OH TYR A 13 1.943 -13.283 -23.255 1.00 71.30 O ATOM 0 H TYR A 13 5.555 -15.083 -16.435 1.00 30.22 H new ATOM 0 HA TYR A 13 5.511 -15.804 -19.096 1.00 31.54 H new ATOM 0 HB2 TYR A 13 4.243 -13.976 -17.634 1.00 33.33 H new ATOM 0 HB3 TYR A 13 5.473 -12.906 -18.280 1.00 33.33 H new ATOM 0 HD1 TYR A 13 5.849 -13.592 -21.017 1.00 43.23 H new ATOM 0 HD2 TYR A 13 2.228 -13.746 -18.776 1.00 10.44 H new ATOM 0 HE1 TYR A 13 4.558 -13.351 -23.091 1.00 75.14 H new ATOM 0 HE2 TYR A 13 0.934 -13.511 -20.849 1.00 1.23 H new ATOM 0 HH TYR A 13 0.986 -13.287 -23.046 1.00 71.30 H new ATOM 226 N GLU A 14 7.849 -13.519 -18.552 1.00 42.55 N ATOM 227 CA GLU A 14 9.107 -12.989 -19.066 1.00 62.31 C ATOM 228 C GLU A 14 10.190 -14.064 -19.066 1.00 23.34 C ATOM 229 O GLU A 14 11.071 -14.075 -19.926 1.00 52.50 O ATOM 230 CB GLU A 14 9.562 -11.791 -18.229 1.00 73.54 C ATOM 231 CG GLU A 14 9.725 -12.108 -16.752 1.00 52.42 C ATOM 232 CD GLU A 14 9.663 -10.869 -15.880 1.00 50.32 C ATOM 233 OE1 GLU A 14 8.685 -10.102 -16.006 1.00 23.22 O ATOM 234 OE2 GLU A 14 10.593 -10.666 -15.072 1.00 20.25 O ATOM 0 H GLU A 14 7.497 -13.041 -17.723 1.00 42.55 H new ATOM 0 HA GLU A 14 8.942 -12.663 -20.093 1.00 62.31 H new ATOM 0 HB2 GLU A 14 10.511 -11.424 -18.620 1.00 73.54 H new ATOM 0 HB3 GLU A 14 8.838 -10.984 -18.341 1.00 73.54 H new ATOM 0 HG2 GLU A 14 8.944 -12.803 -16.445 1.00 52.42 H new ATOM 0 HG3 GLU A 14 10.679 -12.611 -16.595 1.00 52.42 H new ATOM 241 N PHE A 15 10.119 -14.967 -18.093 1.00 73.55 N ATOM 242 CA PHE A 15 11.093 -16.046 -17.979 1.00 22.21 C ATOM 243 C PHE A 15 11.020 -16.976 -19.187 1.00 3.40 C ATOM 244 O PHE A 15 12.036 -17.510 -19.634 1.00 55.13 O ATOM 245 CB PHE A 15 10.856 -16.842 -16.694 1.00 31.21 C ATOM 246 CG PHE A 15 11.899 -17.893 -16.438 1.00 54.42 C ATOM 247 CD1 PHE A 15 11.803 -19.141 -17.031 1.00 60.31 C ATOM 248 CD2 PHE A 15 12.975 -17.631 -15.605 1.00 74.14 C ATOM 249 CE1 PHE A 15 12.761 -20.110 -16.797 1.00 12.33 C ATOM 250 CE2 PHE A 15 13.936 -18.596 -15.368 1.00 12.44 C ATOM 251 CZ PHE A 15 13.829 -19.836 -15.965 1.00 21.20 C ATOM 0 H PHE A 15 9.397 -14.973 -17.372 1.00 73.55 H new ATOM 0 HA PHE A 15 12.087 -15.601 -17.945 1.00 22.21 H new ATOM 0 HB2 PHE A 15 10.831 -16.154 -15.849 1.00 31.21 H new ATOM 0 HB3 PHE A 15 9.877 -17.318 -16.747 1.00 31.21 H new ATOM 0 HD1 PHE A 15 10.971 -19.360 -17.683 1.00 60.31 H new ATOM 0 HD2 PHE A 15 13.064 -16.662 -15.136 1.00 74.14 H new ATOM 0 HE1 PHE A 15 12.674 -21.080 -17.264 1.00 12.33 H new ATOM 0 HE2 PHE A 15 14.770 -18.380 -14.716 1.00 12.44 H new ATOM 0 HZ PHE A 15 14.579 -20.591 -15.782 1.00 21.20 H new ATOM 261 N ILE A 16 9.813 -17.163 -19.709 1.00 61.52 N ATOM 262 CA ILE A 16 9.607 -18.027 -20.865 1.00 64.31 C ATOM 263 C ILE A 16 10.136 -17.376 -22.139 1.00 33.31 C ATOM 264 O ILE A 16 10.715 -18.043 -22.996 1.00 62.33 O ATOM 265 CB ILE A 16 8.117 -18.367 -21.056 1.00 24.43 C ATOM 266 CG1 ILE A 16 7.566 -19.058 -19.807 1.00 14.33 C ATOM 267 CG2 ILE A 16 7.928 -19.248 -22.282 1.00 32.03 C ATOM 268 CD1 ILE A 16 6.160 -18.627 -19.449 1.00 44.21 C ATOM 0 H ILE A 16 8.963 -16.728 -19.350 1.00 61.52 H new ATOM 0 HA ILE A 16 10.159 -18.947 -20.673 1.00 64.31 H new ATOM 0 HB ILE A 16 7.564 -17.440 -21.210 1.00 24.43 H new ATOM 0 HG12 ILE A 16 7.578 -20.137 -19.963 1.00 14.33 H new ATOM 0 HG13 ILE A 16 8.227 -18.850 -18.965 1.00 14.33 H new ATOM 0 HG21 ILE A 16 6.870 -19.480 -22.404 1.00 32.03 H new ATOM 0 HG22 ILE A 16 8.289 -18.723 -23.166 1.00 32.03 H new ATOM 0 HG23 ILE A 16 8.490 -20.173 -22.155 1.00 32.03 H new ATOM 0 HD11 ILE A 16 5.834 -19.157 -18.554 1.00 44.21 H new ATOM 0 HD12 ILE A 16 6.145 -17.553 -19.261 1.00 44.21 H new ATOM 0 HD13 ILE A 16 5.487 -18.860 -20.274 1.00 44.21 H new ATOM 280 N LYS A 17 9.933 -16.068 -22.256 1.00 23.31 N ATOM 281 CA LYS A 17 10.391 -15.324 -23.423 1.00 64.21 C ATOM 282 C LYS A 17 11.898 -15.091 -23.363 1.00 14.42 C ATOM 283 O LYS A 17 12.645 -15.575 -24.211 1.00 61.22 O ATOM 284 CB LYS A 17 9.660 -13.983 -23.518 1.00 21.20 C ATOM 285 CG LYS A 17 8.190 -14.065 -23.145 1.00 51.44 C ATOM 286 CD LYS A 17 7.380 -12.976 -23.830 1.00 21.11 C ATOM 287 CE LYS A 17 6.817 -13.453 -25.160 1.00 65.11 C ATOM 288 NZ LYS A 17 6.855 -12.382 -26.194 1.00 64.33 N ATOM 0 H LYS A 17 9.454 -15.501 -21.556 1.00 23.31 H new ATOM 0 HA LYS A 17 10.168 -15.916 -24.311 1.00 64.21 H new ATOM 0 HB2 LYS A 17 10.153 -13.263 -22.865 1.00 21.20 H new ATOM 0 HB3 LYS A 17 9.748 -13.602 -24.536 1.00 21.20 H new ATOM 0 HG2 LYS A 17 7.797 -15.043 -23.424 1.00 51.44 H new ATOM 0 HG3 LYS A 17 8.082 -13.975 -22.064 1.00 51.44 H new ATOM 0 HD2 LYS A 17 6.563 -12.664 -23.179 1.00 21.11 H new ATOM 0 HD3 LYS A 17 8.009 -12.101 -23.993 1.00 21.11 H new ATOM 0 HE2 LYS A 17 7.387 -14.314 -25.508 1.00 65.11 H new ATOM 0 HE3 LYS A 17 5.789 -13.787 -25.020 1.00 65.11 H new ATOM 0 HZ1 LYS A 17 6.463 -12.746 -27.086 1.00 64.33 H new ATOM 0 HZ2 LYS A 17 6.290 -11.570 -25.873 1.00 64.33 H new ATOM 0 HZ3 LYS A 17 7.839 -12.081 -26.346 1.00 64.33 H new ATOM 302 N GLY A 18 12.337 -14.346 -22.353 1.00 14.34 N ATOM 303 CA GLY A 18 13.752 -14.063 -22.200 1.00 13.41 C ATOM 304 C GLY A 18 14.168 -12.789 -22.909 1.00 70.20 C ATOM 305 O GLY A 18 15.349 -12.585 -23.192 1.00 73.10 O ATOM 0 H GLY A 18 11.738 -13.933 -21.638 1.00 14.34 H new ATOM 0 HA2 GLY A 18 13.990 -13.980 -21.140 1.00 13.41 H new ATOM 0 HA3 GLY A 18 14.331 -14.899 -22.592 1.00 13.41 H new ATOM 309 N PHE A 19 13.196 -11.930 -23.199 1.00 21.33 N ATOM 310 CA PHE A 19 13.467 -10.671 -23.882 1.00 4.10 C ATOM 311 C PHE A 19 12.207 -9.814 -23.963 1.00 64.15 C ATOM 312 O PHE A 19 11.092 -10.332 -23.994 1.00 60.14 O ATOM 313 CB PHE A 19 14.010 -10.936 -25.288 1.00 54.41 C ATOM 314 CG PHE A 19 12.966 -11.428 -26.250 1.00 4.10 C ATOM 315 CD1 PHE A 19 12.719 -12.784 -26.389 1.00 75.12 C ATOM 316 CD2 PHE A 19 12.233 -10.535 -27.015 1.00 4.24 C ATOM 317 CE1 PHE A 19 11.760 -13.240 -27.274 1.00 53.42 C ATOM 318 CE2 PHE A 19 11.273 -10.985 -27.901 1.00 51.50 C ATOM 319 CZ PHE A 19 11.035 -12.339 -28.030 1.00 42.21 C ATOM 0 H PHE A 19 12.214 -12.083 -22.971 1.00 21.33 H new ATOM 0 HA PHE A 19 14.217 -10.128 -23.307 1.00 4.10 H new ATOM 0 HB2 PHE A 19 14.449 -10.018 -25.679 1.00 54.41 H new ATOM 0 HB3 PHE A 19 14.812 -11.672 -25.227 1.00 54.41 H new ATOM 0 HD1 PHE A 19 13.282 -13.493 -25.800 1.00 75.12 H new ATOM 0 HD2 PHE A 19 12.414 -9.475 -26.918 1.00 4.24 H new ATOM 0 HE1 PHE A 19 11.578 -14.300 -27.374 1.00 53.42 H new ATOM 0 HE2 PHE A 19 10.709 -10.278 -28.492 1.00 51.50 H new ATOM 0 HZ PHE A 19 10.284 -12.693 -28.720 1.00 42.21 H new ATOM 329 N GLY A 20 12.395 -8.498 -23.997 1.00 71.13 N ATOM 330 CA GLY A 20 11.266 -7.590 -24.074 1.00 53.30 C ATOM 331 C GLY A 20 10.945 -6.950 -22.738 1.00 13.30 C ATOM 332 O GLY A 20 9.799 -6.976 -22.287 1.00 42.24 O ATOM 0 H GLY A 20 13.309 -8.045 -23.973 1.00 71.13 H new ATOM 0 HA2 GLY A 20 11.480 -6.810 -24.805 1.00 53.30 H new ATOM 0 HA3 GLY A 20 10.391 -8.132 -24.433 1.00 53.30 H new ATOM 336 N LYS A 21 11.959 -6.374 -22.101 1.00 34.03 N ATOM 337 CA LYS A 21 11.780 -5.724 -20.808 1.00 22.45 C ATOM 338 C LYS A 21 13.080 -5.077 -20.340 1.00 31.21 C ATOM 339 O LYS A 21 13.067 -4.015 -19.719 1.00 25.42 O ATOM 340 CB LYS A 21 11.299 -6.738 -19.767 1.00 4.15 C ATOM 341 CG LYS A 21 12.214 -7.942 -19.622 1.00 4.55 C ATOM 342 CD LYS A 21 13.260 -7.720 -18.542 1.00 5.10 C ATOM 343 CE LYS A 21 13.184 -8.790 -17.464 1.00 0.03 C ATOM 344 NZ LYS A 21 12.125 -8.492 -16.461 1.00 14.14 N ATOM 0 H LYS A 21 12.914 -6.344 -22.459 1.00 34.03 H new ATOM 0 HA LYS A 21 11.027 -4.944 -20.922 1.00 22.45 H new ATOM 0 HB2 LYS A 21 11.211 -6.241 -18.801 1.00 4.15 H new ATOM 0 HB3 LYS A 21 10.301 -7.081 -20.041 1.00 4.15 H new ATOM 0 HG2 LYS A 21 11.621 -8.824 -19.380 1.00 4.55 H new ATOM 0 HG3 LYS A 21 12.708 -8.141 -20.573 1.00 4.55 H new ATOM 0 HD2 LYS A 21 14.254 -7.724 -18.990 1.00 5.10 H new ATOM 0 HD3 LYS A 21 13.117 -6.738 -18.092 1.00 5.10 H new ATOM 0 HE2 LYS A 21 12.985 -9.757 -17.926 1.00 0.03 H new ATOM 0 HE3 LYS A 21 14.148 -8.869 -16.962 1.00 0.03 H new ATOM 0 HZ1 LYS A 21 11.809 -9.377 -16.017 1.00 14.14 H new ATOM 0 HZ2 LYS A 21 12.506 -7.856 -15.732 1.00 14.14 H new ATOM 0 HZ3 LYS A 21 11.319 -8.034 -16.933 1.00 14.14 H new ATOM 358 N GLY A 22 14.201 -5.724 -20.644 1.00 60.22 N ATOM 359 CA GLY A 22 15.493 -5.196 -20.248 1.00 43.53 C ATOM 360 C GLY A 22 16.646 -5.938 -20.894 1.00 21.41 C ATOM 361 O GLY A 22 17.665 -5.339 -21.237 1.00 30.53 O ATOM 0 H GLY A 22 14.237 -6.605 -21.158 1.00 60.22 H new ATOM 0 HA2 GLY A 22 15.548 -4.141 -20.516 1.00 43.53 H new ATOM 0 HA3 GLY A 22 15.589 -5.255 -19.164 1.00 43.53 H new ATOM 365 N ALA A 23 16.486 -7.247 -21.059 1.00 22.53 N ATOM 366 CA ALA A 23 17.522 -8.073 -21.668 1.00 11.24 C ATOM 367 C ALA A 23 17.864 -7.579 -23.069 1.00 73.44 C ATOM 368 O ALA A 23 19.028 -7.330 -23.383 1.00 1.11 O ATOM 369 CB ALA A 23 17.079 -9.528 -21.711 1.00 43.15 C ATOM 0 H ALA A 23 15.649 -7.758 -20.780 1.00 22.53 H new ATOM 0 HA ALA A 23 18.421 -7.997 -21.056 1.00 11.24 H new ATOM 0 HB1 ALA A 23 17.862 -10.133 -22.168 1.00 43.15 H new ATOM 0 HB2 ALA A 23 16.892 -9.882 -20.697 1.00 43.15 H new ATOM 0 HB3 ALA A 23 16.165 -9.613 -22.299 1.00 43.15 H new ATOM 375 N ILE A 24 16.843 -7.442 -23.908 1.00 54.44 N ATOM 376 CA ILE A 24 17.036 -6.978 -25.277 1.00 0.45 C ATOM 377 C ILE A 24 17.184 -5.461 -25.327 1.00 15.31 C ATOM 378 O ILE A 24 17.868 -4.921 -26.196 1.00 3.40 O ATOM 379 CB ILE A 24 15.866 -7.399 -26.185 1.00 15.34 C ATOM 380 CG1 ILE A 24 16.218 -7.155 -27.653 1.00 72.15 C ATOM 381 CG2 ILE A 24 14.602 -6.642 -25.805 1.00 14.13 C ATOM 382 CD1 ILE A 24 17.337 -8.037 -28.161 1.00 31.31 C ATOM 0 H ILE A 24 15.874 -7.646 -23.664 1.00 54.44 H new ATOM 0 HA ILE A 24 17.952 -7.443 -25.641 1.00 0.45 H new ATOM 0 HB ILE A 24 15.683 -8.465 -26.047 1.00 15.34 H new ATOM 0 HG12 ILE A 24 15.330 -7.321 -28.263 1.00 72.15 H new ATOM 0 HG13 ILE A 24 16.503 -6.111 -27.781 1.00 72.15 H new ATOM 0 HG21 ILE A 24 13.784 -6.950 -26.456 1.00 14.13 H new ATOM 0 HG22 ILE A 24 14.344 -6.861 -24.769 1.00 14.13 H new ATOM 0 HG23 ILE A 24 14.771 -5.571 -25.918 1.00 14.13 H new ATOM 0 HD11 ILE A 24 17.533 -7.809 -29.209 1.00 31.31 H new ATOM 0 HD12 ILE A 24 18.238 -7.855 -27.576 1.00 31.31 H new ATOM 0 HD13 ILE A 24 17.047 -9.083 -28.065 1.00 31.31 H new ATOM 394 N LYS A 25 16.538 -4.778 -24.388 1.00 13.51 N ATOM 395 CA LYS A 25 16.598 -3.322 -24.322 1.00 24.23 C ATOM 396 C LYS A 25 18.015 -2.850 -24.011 1.00 63.32 C ATOM 397 O LYS A 25 18.557 -1.988 -24.702 1.00 71.45 O ATOM 398 CB LYS A 25 15.631 -2.799 -23.258 1.00 54.20 C ATOM 399 CG LYS A 25 15.916 -1.371 -22.826 1.00 22.14 C ATOM 400 CD LYS A 25 14.633 -0.602 -22.558 1.00 23.21 C ATOM 401 CE LYS A 25 13.852 -1.207 -21.401 1.00 43.41 C ATOM 402 NZ LYS A 25 12.580 -0.475 -21.149 1.00 31.23 N ATOM 0 H LYS A 25 15.966 -5.209 -23.662 1.00 13.51 H new ATOM 0 HA LYS A 25 16.307 -2.927 -25.295 1.00 24.23 H new ATOM 0 HB2 LYS A 25 14.613 -2.857 -23.644 1.00 54.20 H new ATOM 0 HB3 LYS A 25 15.678 -3.450 -22.385 1.00 54.20 H new ATOM 0 HG2 LYS A 25 16.531 -1.378 -21.926 1.00 22.14 H new ATOM 0 HG3 LYS A 25 16.490 -0.863 -23.601 1.00 22.14 H new ATOM 0 HD2 LYS A 25 14.871 0.438 -22.334 1.00 23.21 H new ATOM 0 HD3 LYS A 25 14.014 -0.601 -23.455 1.00 23.21 H new ATOM 0 HE2 LYS A 25 13.633 -2.252 -21.618 1.00 43.41 H new ATOM 0 HE3 LYS A 25 14.466 -1.190 -20.500 1.00 43.41 H new ATOM 0 HZ1 LYS A 25 12.077 -0.917 -20.354 1.00 31.23 H new ATOM 0 HZ2 LYS A 25 12.790 0.517 -20.917 1.00 31.23 H new ATOM 0 HZ3 LYS A 25 11.983 -0.513 -22.000 1.00 31.23 H new ATOM 416 N GLU A 26 18.610 -3.422 -22.969 1.00 34.15 N ATOM 417 CA GLU A 26 19.964 -3.059 -22.568 1.00 70.14 C ATOM 418 C GLU A 26 20.993 -3.663 -23.520 1.00 53.22 C ATOM 419 O GLU A 26 22.187 -3.384 -23.419 1.00 73.30 O ATOM 420 CB GLU A 26 20.240 -3.527 -21.138 1.00 72.31 C ATOM 421 CG GLU A 26 20.534 -5.014 -21.030 1.00 70.14 C ATOM 422 CD GLU A 26 20.241 -5.568 -19.650 1.00 31.33 C ATOM 423 OE1 GLU A 26 19.810 -4.788 -18.776 1.00 13.33 O ATOM 424 OE2 GLU A 26 20.443 -6.783 -19.444 1.00 32.53 O ATOM 0 H GLU A 26 18.176 -4.139 -22.387 1.00 34.15 H new ATOM 0 HA GLU A 26 20.049 -1.973 -22.609 1.00 70.14 H new ATOM 0 HB2 GLU A 26 21.086 -2.968 -20.739 1.00 72.31 H new ATOM 0 HB3 GLU A 26 19.378 -3.289 -20.514 1.00 72.31 H new ATOM 0 HG2 GLU A 26 19.939 -5.553 -21.767 1.00 70.14 H new ATOM 0 HG3 GLU A 26 21.581 -5.192 -21.274 1.00 70.14 H new ATOM 431 N GLY A 27 20.519 -4.493 -24.445 1.00 44.41 N ATOM 432 CA GLY A 27 21.410 -5.124 -25.401 1.00 43.32 C ATOM 433 C GLY A 27 21.544 -4.326 -26.683 1.00 43.30 C ATOM 434 O GLY A 27 22.646 -4.157 -27.204 1.00 54.24 O ATOM 0 H GLY A 27 19.535 -4.739 -24.549 1.00 44.41 H new ATOM 0 HA2 GLY A 27 22.394 -5.248 -24.949 1.00 43.32 H new ATOM 0 HA3 GLY A 27 21.039 -6.122 -25.635 1.00 43.32 H new ATOM 438 N ASN A 28 20.419 -3.835 -27.193 1.00 63.11 N ATOM 439 CA ASN A 28 20.416 -3.052 -28.424 1.00 33.33 C ATOM 440 C ASN A 28 20.865 -1.619 -28.158 1.00 11.31 C ATOM 441 O ASN A 28 21.530 -1.000 -28.989 1.00 72.12 O ATOM 442 CB ASN A 28 19.019 -3.053 -29.049 1.00 65.54 C ATOM 443 CG ASN A 28 18.113 -2.001 -28.441 1.00 75.22 C ATOM 444 OD1 ASN A 28 17.884 -0.946 -29.033 1.00 34.12 O ATOM 445 ND2 ASN A 28 17.591 -2.285 -27.253 1.00 45.51 N ATOM 0 H ASN A 28 19.498 -3.965 -26.773 1.00 63.11 H new ATOM 0 HA ASN A 28 21.119 -3.511 -29.119 1.00 33.33 H new ATOM 0 HB2 ASN A 28 19.104 -2.879 -30.122 1.00 65.54 H new ATOM 0 HB3 ASN A 28 18.567 -4.036 -28.920 1.00 65.54 H new ATOM 0 HD21 ASN A 28 16.973 -1.616 -26.795 1.00 45.51 H new ATOM 0 HD22 ASN A 28 17.809 -3.172 -26.799 1.00 45.51 H new ATOM 452 N LYS A 29 20.497 -1.096 -26.993 1.00 5.11 N ATOM 453 CA LYS A 29 20.863 0.264 -26.615 1.00 22.13 C ATOM 454 C LYS A 29 22.320 0.331 -26.167 1.00 13.04 C ATOM 455 O LYS A 29 22.927 1.402 -26.155 1.00 72.04 O ATOM 456 CB LYS A 29 19.950 0.767 -25.494 1.00 62.41 C ATOM 457 CG LYS A 29 20.315 0.224 -24.123 1.00 53.10 C ATOM 458 CD LYS A 29 19.174 0.396 -23.134 1.00 70.10 C ATOM 459 CE LYS A 29 18.932 1.862 -22.811 1.00 44.52 C ATOM 460 NZ LYS A 29 18.931 2.114 -21.343 1.00 42.45 N ATOM 0 H LYS A 29 19.945 -1.594 -26.294 1.00 5.11 H new ATOM 0 HA LYS A 29 20.740 0.903 -27.490 1.00 22.13 H new ATOM 0 HB2 LYS A 29 19.989 1.856 -25.466 1.00 62.41 H new ATOM 0 HB3 LYS A 29 18.921 0.490 -25.723 1.00 62.41 H new ATOM 0 HG2 LYS A 29 20.571 -0.832 -24.205 1.00 53.10 H new ATOM 0 HG3 LYS A 29 21.201 0.738 -23.751 1.00 53.10 H new ATOM 0 HD2 LYS A 29 18.265 -0.042 -23.546 1.00 70.10 H new ATOM 0 HD3 LYS A 29 19.401 -0.147 -22.217 1.00 70.10 H new ATOM 0 HE2 LYS A 29 19.704 2.470 -23.283 1.00 44.52 H new ATOM 0 HE3 LYS A 29 17.977 2.174 -23.234 1.00 44.52 H new ATOM 0 HZ1 LYS A 29 18.763 3.125 -21.164 1.00 42.45 H new ATOM 0 HZ2 LYS A 29 18.178 1.553 -20.895 1.00 42.45 H new ATOM 0 HZ3 LYS A 29 19.851 1.840 -20.943 1.00 42.45 H new ATOM 474 N ASP A 30 22.874 -0.819 -25.800 1.00 4.14 N ATOM 475 CA ASP A 30 24.261 -0.891 -25.353 1.00 51.22 C ATOM 476 C ASP A 30 25.213 -0.458 -26.464 1.00 74.43 C ATOM 477 O ASP A 30 26.375 -0.140 -26.212 1.00 51.22 O ATOM 478 CB ASP A 30 24.600 -2.311 -24.899 1.00 34.43 C ATOM 479 CG ASP A 30 24.981 -2.375 -23.433 1.00 2.32 C ATOM 480 OD1 ASP A 30 25.552 -1.387 -22.926 1.00 25.03 O ATOM 481 OD2 ASP A 30 24.709 -3.412 -22.793 1.00 22.32 O ATOM 0 H ASP A 30 22.385 -1.714 -25.803 1.00 4.14 H new ATOM 0 HA ASP A 30 24.381 -0.210 -24.510 1.00 51.22 H new ATOM 0 HB2 ASP A 30 23.743 -2.961 -25.077 1.00 34.43 H new ATOM 0 HB3 ASP A 30 25.422 -2.696 -25.502 1.00 34.43 H new ATOM 486 N LYS A 31 24.712 -0.451 -27.695 1.00 43.32 N ATOM 487 CA LYS A 31 25.517 -0.058 -28.846 1.00 54.41 C ATOM 488 C LYS A 31 26.025 1.372 -28.692 1.00 4.05 C ATOM 489 O LYS A 31 27.003 1.765 -29.328 1.00 23.31 O ATOM 490 CB LYS A 31 24.698 -0.183 -30.133 1.00 12.50 C ATOM 491 CG LYS A 31 24.185 -1.588 -30.393 1.00 73.24 C ATOM 492 CD LYS A 31 25.292 -2.503 -30.890 1.00 53.21 C ATOM 493 CE LYS A 31 24.761 -3.541 -31.867 1.00 53.30 C ATOM 494 NZ LYS A 31 25.749 -3.852 -32.937 1.00 55.31 N ATOM 0 H LYS A 31 23.753 -0.713 -27.921 1.00 43.32 H new ATOM 0 HA LYS A 31 26.376 -0.726 -28.902 1.00 54.41 H new ATOM 0 HB2 LYS A 31 23.851 0.501 -30.082 1.00 12.50 H new ATOM 0 HB3 LYS A 31 25.312 0.133 -30.977 1.00 12.50 H new ATOM 0 HG2 LYS A 31 23.759 -1.996 -29.477 1.00 73.24 H new ATOM 0 HG3 LYS A 31 23.383 -1.553 -31.130 1.00 73.24 H new ATOM 0 HD2 LYS A 31 26.067 -1.909 -31.374 1.00 53.21 H new ATOM 0 HD3 LYS A 31 25.759 -3.005 -30.042 1.00 53.21 H new ATOM 0 HE2 LYS A 31 24.511 -4.454 -31.327 1.00 53.30 H new ATOM 0 HE3 LYS A 31 23.839 -3.176 -32.319 1.00 53.30 H new ATOM 0 HZ1 LYS A 31 25.350 -4.563 -33.582 1.00 55.31 H new ATOM 0 HZ2 LYS A 31 25.968 -2.986 -33.469 1.00 55.31 H new ATOM 0 HZ3 LYS A 31 26.620 -4.224 -32.508 1.00 55.31 H new ATOM 508 N TRP A 32 25.357 2.144 -27.842 1.00 43.14 N ATOM 509 CA TRP A 32 25.744 3.530 -27.604 1.00 14.24 C ATOM 510 C TRP A 32 27.220 3.628 -27.238 1.00 4.35 C ATOM 511 O TRP A 32 27.872 4.638 -27.506 1.00 55.04 O ATOM 512 CB TRP A 32 24.888 4.135 -26.489 1.00 71.04 C ATOM 513 CG TRP A 32 25.334 3.737 -25.115 1.00 63.11 C ATOM 514 CD1 TRP A 32 25.308 2.482 -24.576 1.00 43.33 C ATOM 515 CD2 TRP A 32 25.871 4.598 -24.105 1.00 43.35 C ATOM 516 NE1 TRP A 32 25.797 2.512 -23.292 1.00 73.13 N ATOM 517 CE2 TRP A 32 26.150 3.798 -22.980 1.00 52.11 C ATOM 518 CE3 TRP A 32 26.146 5.967 -24.043 1.00 40.01 C ATOM 519 CZ2 TRP A 32 26.688 4.323 -21.808 1.00 54.42 C ATOM 520 CZ3 TRP A 32 26.679 6.487 -22.879 1.00 65.12 C ATOM 521 CH2 TRP A 32 26.946 5.667 -21.775 1.00 25.31 C ATOM 0 H TRP A 32 24.546 1.834 -27.307 1.00 43.14 H new ATOM 0 HA TRP A 32 25.580 4.090 -28.524 1.00 14.24 H new ATOM 0 HB2 TRP A 32 24.913 5.222 -26.571 1.00 71.04 H new ATOM 0 HB3 TRP A 32 23.851 3.829 -26.630 1.00 71.04 H new ATOM 0 HD1 TRP A 32 24.955 1.597 -25.084 1.00 43.33 H new ATOM 0 HE1 TRP A 32 25.883 1.707 -22.672 1.00 73.13 H new ATOM 0 HE3 TRP A 32 25.946 6.607 -24.890 1.00 40.01 H new ATOM 0 HZ2 TRP A 32 26.894 3.693 -20.956 1.00 54.42 H new ATOM 0 HZ3 TRP A 32 26.893 7.544 -22.819 1.00 65.12 H new ATOM 0 HH2 TRP A 32 27.364 6.104 -20.880 1.00 25.31 H new ATOM 532 N LYS A 33 27.744 2.573 -26.623 1.00 5.44 N ATOM 533 CA LYS A 33 29.146 2.540 -26.221 1.00 34.55 C ATOM 534 C LYS A 33 30.061 2.757 -27.421 1.00 5.33 C ATOM 535 O LYS A 33 31.193 3.218 -27.274 1.00 54.33 O ATOM 536 CB LYS A 33 29.473 1.203 -25.551 1.00 63.24 C ATOM 537 CG LYS A 33 30.947 1.030 -25.228 1.00 22.22 C ATOM 538 CD LYS A 33 31.445 2.120 -24.294 1.00 12.13 C ATOM 539 CE LYS A 33 32.747 1.722 -23.616 1.00 41.12 C ATOM 540 NZ LYS A 33 33.935 2.230 -24.356 1.00 42.24 N ATOM 0 H LYS A 33 27.219 1.729 -26.392 1.00 5.44 H new ATOM 0 HA LYS A 33 29.314 3.348 -25.508 1.00 34.55 H new ATOM 0 HB2 LYS A 33 28.895 1.116 -24.631 1.00 63.24 H new ATOM 0 HB3 LYS A 33 29.155 0.391 -26.205 1.00 63.24 H new ATOM 0 HG2 LYS A 33 31.108 0.055 -24.769 1.00 22.22 H new ATOM 0 HG3 LYS A 33 31.527 1.047 -26.151 1.00 22.22 H new ATOM 0 HD2 LYS A 33 31.593 3.042 -24.856 1.00 12.13 H new ATOM 0 HD3 LYS A 33 30.688 2.326 -23.537 1.00 12.13 H new ATOM 0 HE2 LYS A 33 32.760 2.111 -22.598 1.00 41.12 H new ATOM 0 HE3 LYS A 33 32.801 0.636 -23.543 1.00 41.12 H new ATOM 0 HZ1 LYS A 33 34.803 1.938 -23.862 1.00 42.24 H new ATOM 0 HZ2 LYS A 33 33.937 1.839 -25.320 1.00 42.24 H new ATOM 0 HZ3 LYS A 33 33.897 3.268 -24.403 1.00 42.24 H new ATOM 554 N ASN A 34 29.564 2.424 -28.607 1.00 61.32 N ATOM 555 CA ASN A 34 30.338 2.584 -29.833 1.00 20.01 C ATOM 556 C ASN A 34 29.975 3.887 -30.539 1.00 23.02 C ATOM 557 O ASN A 34 30.105 4.001 -31.758 1.00 74.20 O ATOM 558 CB ASN A 34 30.098 1.399 -30.771 1.00 4.03 C ATOM 559 CG ASN A 34 30.818 0.145 -30.313 1.00 73.20 C ATOM 560 OD1 ASN A 34 30.598 -0.340 -29.203 1.00 71.10 O ATOM 561 ND2 ASN A 34 31.683 -0.386 -31.169 1.00 31.41 N ATOM 0 H ASN A 34 28.629 2.042 -28.746 1.00 61.32 H new ATOM 0 HA ASN A 34 31.394 2.618 -29.565 1.00 20.01 H new ATOM 0 HB2 ASN A 34 29.028 1.199 -30.833 1.00 4.03 H new ATOM 0 HB3 ASN A 34 30.432 1.660 -31.775 1.00 4.03 H new ATOM 0 HD21 ASN A 34 32.197 -1.230 -30.917 1.00 31.41 H new ATOM 0 HD22 ASN A 34 31.833 0.050 -32.079 1.00 31.41 H new ATOM 568 N ILE A 35 29.522 4.867 -29.764 1.00 72.42 N ATOM 569 CA ILE A 35 29.142 6.162 -30.315 1.00 23.22 C ATOM 570 C ILE A 35 28.014 6.018 -31.331 1.00 22.12 C ATOM 571 O ILE A 35 26.934 5.522 -31.009 1.00 43.04 O ATOM 572 CB ILE A 35 30.339 6.860 -30.988 1.00 73.53 C ATOM 573 CG1 ILE A 35 31.491 7.017 -29.994 1.00 60.11 C ATOM 574 CG2 ILE A 35 29.920 8.214 -31.541 1.00 32.24 C ATOM 575 CD1 ILE A 35 31.138 7.860 -28.789 1.00 23.02 C ATOM 0 H ILE A 35 29.409 4.789 -28.753 1.00 72.42 H new ATOM 0 HA ILE A 35 28.799 6.772 -29.480 1.00 23.22 H new ATOM 0 HB ILE A 35 30.682 6.241 -31.817 1.00 73.53 H new ATOM 0 HG12 ILE A 35 31.806 6.030 -29.657 1.00 60.11 H new ATOM 0 HG13 ILE A 35 32.342 7.466 -30.505 1.00 60.11 H new ATOM 0 HG21 ILE A 35 30.777 8.695 -32.013 1.00 32.24 H new ATOM 0 HG22 ILE A 35 29.129 8.077 -32.278 1.00 32.24 H new ATOM 0 HG23 ILE A 35 29.554 8.842 -30.728 1.00 32.24 H new ATOM 0 HD11 ILE A 35 32.001 7.928 -28.127 1.00 23.02 H new ATOM 0 HD12 ILE A 35 30.851 8.860 -29.116 1.00 23.02 H new ATOM 0 HD13 ILE A 35 30.307 7.400 -28.254 1.00 23.02 H new TER 587 ILE A 35