USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=4 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+ 150:sc= 0.0349 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 164:sc= -0.0149 (180deg=-0.24) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 153:sc= -0.204 (180deg=-1.1) USER MOD Single : A 28 ASN : amide:sc= -3.65! C(o=-3.6!,f=-6.2!) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.260 -5.623 0.911 1.00 54.34 N ATOM 2 CA LYS A 1 -5.856 -5.335 -0.461 1.00 34.05 C ATOM 3 C LYS A 1 -5.192 -6.551 -1.098 1.00 51.15 C ATOM 4 O LYS A 1 -4.887 -7.532 -0.420 1.00 74.32 O ATOM 5 CB LYS A 1 -4.898 -4.142 -0.492 1.00 75.02 C ATOM 6 CG LYS A 1 -5.466 -2.925 -1.201 1.00 15.52 C ATOM 7 CD LYS A 1 -4.366 -1.981 -1.656 1.00 52.33 C ATOM 8 CE LYS A 1 -4.932 -0.644 -2.113 1.00 23.54 C ATOM 9 NZ LYS A 1 -5.492 0.138 -0.976 1.00 72.22 N ATOM 0 H1 LYS A 1 -6.226 -4.749 1.474 1.00 54.34 H new ATOM 0 H2 LYS A 1 -7.229 -6.000 0.916 1.00 54.34 H new ATOM 0 H3 LYS A 1 -5.613 -6.326 1.323 1.00 54.34 H new ATOM 0 HA LYS A 1 -6.750 -5.090 -1.034 1.00 34.05 H new ATOM 0 HB2 LYS A 1 -4.639 -3.868 0.531 1.00 75.02 H new ATOM 0 HB3 LYS A 1 -3.974 -4.442 -0.986 1.00 75.02 H new ATOM 0 HG2 LYS A 1 -6.051 -3.245 -2.063 1.00 15.52 H new ATOM 0 HG3 LYS A 1 -6.146 -2.397 -0.532 1.00 15.52 H new ATOM 0 HD2 LYS A 1 -3.663 -1.819 -0.839 1.00 52.33 H new ATOM 0 HD3 LYS A 1 -3.807 -2.439 -2.472 1.00 52.33 H new ATOM 0 HE2 LYS A 1 -4.148 -0.065 -2.601 1.00 23.54 H new ATOM 0 HE3 LYS A 1 -5.711 -0.814 -2.856 1.00 23.54 H new ATOM 0 HZ1 LYS A 1 -5.617 1.129 -1.265 1.00 72.22 H new ATOM 0 HZ2 LYS A 1 -6.412 -0.261 -0.700 1.00 72.22 H new ATOM 0 HZ3 LYS A 1 -4.839 0.092 -0.168 1.00 72.22 H new ATOM 23 N LYS A 2 -4.969 -6.479 -2.406 1.00 62.23 N ATOM 24 CA LYS A 2 -4.338 -7.572 -3.136 1.00 62.43 C ATOM 25 C LYS A 2 -2.844 -7.637 -2.835 1.00 20.34 C ATOM 26 O LYS A 2 -2.326 -8.682 -2.439 1.00 13.43 O ATOM 27 CB LYS A 2 -4.558 -7.402 -4.641 1.00 71.21 C ATOM 28 CG LYS A 2 -6.022 -7.305 -5.034 1.00 40.53 C ATOM 29 CD LYS A 2 -6.774 -8.584 -4.707 1.00 42.13 C ATOM 30 CE LYS A 2 -8.203 -8.538 -5.224 1.00 54.14 C ATOM 31 NZ LYS A 2 -8.382 -9.384 -6.437 1.00 33.14 N ATOM 0 H LYS A 2 -5.216 -5.675 -2.982 1.00 62.23 H new ATOM 0 HA LYS A 2 -4.798 -8.505 -2.811 1.00 62.43 H new ATOM 0 HB2 LYS A 2 -4.040 -6.503 -4.976 1.00 71.21 H new ATOM 0 HB3 LYS A 2 -4.105 -8.245 -5.163 1.00 71.21 H new ATOM 0 HG2 LYS A 2 -6.485 -6.467 -4.513 1.00 40.53 H new ATOM 0 HG3 LYS A 2 -6.100 -7.099 -6.102 1.00 40.53 H new ATOM 0 HD2 LYS A 2 -6.254 -9.435 -5.146 1.00 42.13 H new ATOM 0 HD3 LYS A 2 -6.781 -8.737 -3.628 1.00 42.13 H new ATOM 0 HE2 LYS A 2 -8.883 -8.876 -4.442 1.00 54.14 H new ATOM 0 HE3 LYS A 2 -8.472 -7.508 -5.457 1.00 54.14 H new ATOM 0 HZ1 LYS A 2 -9.369 -9.326 -6.758 1.00 33.14 H new ATOM 0 HZ2 LYS A 2 -7.752 -9.046 -7.192 1.00 33.14 H new ATOM 0 HZ3 LYS A 2 -8.150 -10.372 -6.209 1.00 33.14 H new ATOM 45 N TRP A 3 -2.158 -6.516 -3.023 1.00 11.11 N ATOM 46 CA TRP A 3 -0.723 -6.446 -2.769 1.00 54.12 C ATOM 47 C TRP A 3 0.024 -7.501 -3.577 1.00 43.32 C ATOM 48 O TRP A 3 0.836 -8.251 -3.036 1.00 53.32 O ATOM 49 CB TRP A 3 -0.439 -6.631 -1.278 1.00 22.51 C ATOM 50 CG TRP A 3 -0.926 -5.493 -0.434 1.00 43.50 C ATOM 51 CD1 TRP A 3 -0.999 -4.178 -0.796 1.00 13.44 C ATOM 52 CD2 TRP A 3 -1.404 -5.568 0.913 1.00 14.42 C ATOM 53 NE1 TRP A 3 -1.495 -3.431 0.246 1.00 41.32 N ATOM 54 CE2 TRP A 3 -1.752 -4.260 1.305 1.00 31.02 C ATOM 55 CE3 TRP A 3 -1.575 -6.612 1.826 1.00 71.03 C ATOM 56 CZ2 TRP A 3 -2.258 -3.972 2.570 1.00 74.31 C ATOM 57 CZ3 TRP A 3 -2.077 -6.325 3.081 1.00 54.34 C ATOM 58 CH2 TRP A 3 -2.415 -5.014 3.443 1.00 31.02 C ATOM 0 H TRP A 3 -2.572 -5.643 -3.350 1.00 11.11 H new ATOM 0 HA TRP A 3 -0.371 -5.462 -3.079 1.00 54.12 H new ATOM 0 HB2 TRP A 3 -0.910 -7.553 -0.938 1.00 22.51 H new ATOM 0 HB3 TRP A 3 0.635 -6.748 -1.132 1.00 22.51 H new ATOM 0 HD1 TRP A 3 -0.710 -3.783 -1.759 1.00 13.44 H new ATOM 0 HE1 TRP A 3 -1.647 -2.422 0.232 1.00 41.32 H new ATOM 0 HE3 TRP A 3 -1.319 -7.626 1.555 1.00 71.03 H new ATOM 0 HZ2 TRP A 3 -2.517 -2.962 2.852 1.00 74.31 H new ATOM 0 HZ3 TRP A 3 -2.211 -7.124 3.795 1.00 54.34 H new ATOM 0 HH2 TRP A 3 -2.807 -4.822 4.431 1.00 31.02 H new ATOM 69 N GLY A 4 -0.254 -7.553 -4.876 1.00 53.23 N ATOM 70 CA GLY A 4 0.401 -8.520 -5.737 1.00 42.34 C ATOM 71 C GLY A 4 1.652 -7.963 -6.388 1.00 11.21 C ATOM 72 O GLY A 4 2.137 -8.505 -7.381 1.00 22.23 O ATOM 0 H GLY A 4 -0.921 -6.942 -5.347 1.00 53.23 H new ATOM 0 HA2 GLY A 4 0.661 -9.403 -5.154 1.00 42.34 H new ATOM 0 HA3 GLY A 4 -0.295 -8.843 -6.511 1.00 42.34 H new ATOM 76 N TRP A 5 2.174 -6.877 -5.829 1.00 52.00 N ATOM 77 CA TRP A 5 3.375 -6.245 -6.363 1.00 22.23 C ATOM 78 C TRP A 5 4.627 -6.989 -5.912 1.00 64.44 C ATOM 79 O TRP A 5 5.405 -7.472 -6.737 1.00 3.51 O ATOM 80 CB TRP A 5 3.448 -4.784 -5.918 1.00 40.51 C ATOM 81 CG TRP A 5 2.207 -4.004 -6.233 1.00 61.30 C ATOM 82 CD1 TRP A 5 1.272 -4.301 -7.183 1.00 33.43 C ATOM 83 CD2 TRP A 5 1.768 -2.798 -5.598 1.00 62.42 C ATOM 84 NE1 TRP A 5 0.278 -3.353 -7.177 1.00 13.35 N ATOM 85 CE2 TRP A 5 0.558 -2.420 -6.213 1.00 24.50 C ATOM 86 CE3 TRP A 5 2.278 -2.002 -4.569 1.00 70.40 C ATOM 87 CZ2 TRP A 5 -0.146 -1.281 -5.832 1.00 23.40 C ATOM 88 CZ3 TRP A 5 1.578 -0.872 -4.192 1.00 41.03 C ATOM 89 CH2 TRP A 5 0.377 -0.520 -4.822 1.00 34.33 C ATOM 0 H TRP A 5 1.785 -6.416 -5.007 1.00 52.00 H new ATOM 0 HA TRP A 5 3.323 -6.284 -7.451 1.00 22.23 H new ATOM 0 HB2 TRP A 5 3.628 -4.748 -4.844 1.00 40.51 H new ATOM 0 HB3 TRP A 5 4.301 -4.307 -6.401 1.00 40.51 H new ATOM 0 HD1 TRP A 5 1.309 -5.156 -7.842 1.00 33.43 H new ATOM 0 HE1 TRP A 5 -0.537 -3.345 -7.791 1.00 13.35 H new ATOM 0 HE3 TRP A 5 3.203 -2.265 -4.077 1.00 70.40 H new ATOM 0 HZ2 TRP A 5 -1.072 -1.008 -6.316 1.00 23.40 H new ATOM 0 HZ3 TRP A 5 1.963 -0.249 -3.398 1.00 41.03 H new ATOM 0 HH2 TRP A 5 -0.146 0.370 -4.504 1.00 34.33 H new ATOM 100 N LEU A 6 4.817 -7.080 -4.601 1.00 11.02 N ATOM 101 CA LEU A 6 5.976 -7.767 -4.041 1.00 11.32 C ATOM 102 C LEU A 6 5.927 -9.259 -4.351 1.00 34.44 C ATOM 103 O LEU A 6 6.961 -9.920 -4.435 1.00 62.25 O ATOM 104 CB LEU A 6 6.040 -7.550 -2.528 1.00 31.01 C ATOM 105 CG LEU A 6 4.739 -7.786 -1.760 1.00 54.04 C ATOM 106 CD1 LEU A 6 4.955 -8.789 -0.638 1.00 22.00 C ATOM 107 CD2 LEU A 6 4.199 -6.474 -1.209 1.00 62.21 C ATOM 0 H LEU A 6 4.183 -6.687 -3.905 1.00 11.02 H new ATOM 0 HA LEU A 6 6.872 -7.349 -4.500 1.00 11.32 H new ATOM 0 HB2 LEU A 6 6.805 -8.210 -2.119 1.00 31.01 H new ATOM 0 HB3 LEU A 6 6.368 -6.527 -2.341 1.00 31.01 H new ATOM 0 HG LEU A 6 4.002 -8.198 -2.450 1.00 54.04 H new ATOM 0 HD11 LEU A 6 4.018 -8.944 -0.103 1.00 22.00 H new ATOM 0 HD12 LEU A 6 5.294 -9.736 -1.057 1.00 22.00 H new ATOM 0 HD13 LEU A 6 5.708 -8.407 0.052 1.00 22.00 H new ATOM 0 HD21 LEU A 6 3.273 -6.661 -0.666 1.00 62.21 H new ATOM 0 HD22 LEU A 6 4.933 -6.033 -0.534 1.00 62.21 H new ATOM 0 HD23 LEU A 6 4.004 -5.787 -2.032 1.00 62.21 H new ATOM 119 N ALA A 7 4.717 -9.784 -4.521 1.00 2.44 N ATOM 120 CA ALA A 7 4.533 -11.197 -4.825 1.00 42.04 C ATOM 121 C ALA A 7 5.074 -11.535 -6.211 1.00 14.32 C ATOM 122 O ALA A 7 5.511 -12.658 -6.460 1.00 22.04 O ATOM 123 CB ALA A 7 3.062 -11.571 -4.725 1.00 31.40 C ATOM 0 H ALA A 7 3.850 -9.251 -4.453 1.00 2.44 H new ATOM 0 HA ALA A 7 5.095 -11.777 -4.093 1.00 42.04 H new ATOM 0 HB1 ALA A 7 2.939 -12.629 -4.955 1.00 31.40 H new ATOM 0 HB2 ALA A 7 2.705 -11.375 -3.714 1.00 31.40 H new ATOM 0 HB3 ALA A 7 2.486 -10.977 -5.435 1.00 31.40 H new ATOM 129 N TRP A 8 5.039 -10.557 -7.108 1.00 43.53 N ATOM 130 CA TRP A 8 5.525 -10.751 -8.470 1.00 24.23 C ATOM 131 C TRP A 8 7.006 -10.403 -8.574 1.00 50.41 C ATOM 132 O TRP A 8 7.721 -10.935 -9.423 1.00 72.13 O ATOM 133 CB TRP A 8 4.718 -9.898 -9.449 1.00 15.44 C ATOM 134 CG TRP A 8 3.386 -10.492 -9.796 1.00 10.42 C ATOM 135 CD1 TRP A 8 2.583 -11.237 -8.980 1.00 41.40 C ATOM 136 CD2 TRP A 8 2.704 -10.392 -11.051 1.00 1.22 C ATOM 137 NE1 TRP A 8 1.443 -11.606 -9.652 1.00 40.14 N ATOM 138 CE2 TRP A 8 1.493 -11.099 -10.924 1.00 73.41 C ATOM 139 CE3 TRP A 8 2.998 -9.772 -12.268 1.00 53.12 C ATOM 140 CZ2 TRP A 8 0.579 -11.204 -11.970 1.00 1.34 C ATOM 141 CZ3 TRP A 8 2.090 -9.877 -13.305 1.00 1.41 C ATOM 142 CH2 TRP A 8 0.892 -10.587 -13.150 1.00 64.24 C ATOM 0 H TRP A 8 4.679 -9.622 -6.918 1.00 43.53 H new ATOM 0 HA TRP A 8 5.399 -11.803 -8.727 1.00 24.23 H new ATOM 0 HB2 TRP A 8 4.565 -8.909 -9.018 1.00 15.44 H new ATOM 0 HB3 TRP A 8 5.296 -9.761 -10.363 1.00 15.44 H new ATOM 0 HD1 TRP A 8 2.811 -11.498 -7.957 1.00 41.40 H new ATOM 0 HE1 TRP A 8 0.683 -12.166 -9.267 1.00 40.14 H new ATOM 0 HE3 TRP A 8 3.918 -9.221 -12.396 1.00 53.12 H new ATOM 0 HZ2 TRP A 8 -0.344 -11.753 -11.853 1.00 1.34 H new ATOM 0 HZ3 TRP A 8 2.308 -9.404 -14.251 1.00 1.41 H new ATOM 0 HH2 TRP A 8 0.202 -10.648 -13.979 1.00 64.24 H new ATOM 153 N VAL A 9 7.461 -9.505 -7.705 1.00 61.42 N ATOM 154 CA VAL A 9 8.858 -9.087 -7.699 1.00 52.03 C ATOM 155 C VAL A 9 9.735 -10.110 -6.987 1.00 20.31 C ATOM 156 O VAL A 9 10.929 -10.220 -7.265 1.00 24.01 O ATOM 157 CB VAL A 9 9.030 -7.716 -7.018 1.00 62.40 C ATOM 158 CG1 VAL A 9 10.495 -7.307 -7.004 1.00 22.41 C ATOM 159 CG2 VAL A 9 8.181 -6.665 -7.716 1.00 2.53 C ATOM 0 H VAL A 9 6.883 -9.053 -6.997 1.00 61.42 H new ATOM 0 HA VAL A 9 9.170 -9.009 -8.741 1.00 52.03 H new ATOM 0 HB VAL A 9 8.691 -7.797 -5.985 1.00 62.40 H new ATOM 0 HG11 VAL A 9 10.597 -6.336 -6.519 1.00 22.41 H new ATOM 0 HG12 VAL A 9 11.075 -8.049 -6.455 1.00 22.41 H new ATOM 0 HG13 VAL A 9 10.864 -7.242 -8.027 1.00 22.41 H new ATOM 0 HG21 VAL A 9 8.315 -5.703 -7.222 1.00 2.53 H new ATOM 0 HG22 VAL A 9 8.488 -6.583 -8.759 1.00 2.53 H new ATOM 0 HG23 VAL A 9 7.131 -6.955 -7.668 1.00 2.53 H new ATOM 169 N ASP A 10 9.135 -10.858 -6.068 1.00 13.15 N ATOM 170 CA ASP A 10 9.861 -11.875 -5.315 1.00 52.44 C ATOM 171 C ASP A 10 10.538 -12.866 -6.256 1.00 61.31 C ATOM 172 O ASP A 10 11.760 -13.019 -6.262 1.00 32.35 O ATOM 173 CB ASP A 10 8.913 -12.615 -4.371 1.00 13.24 C ATOM 174 CG ASP A 10 9.233 -12.359 -2.911 1.00 42.21 C ATOM 175 OD1 ASP A 10 8.722 -11.363 -2.358 1.00 34.44 O ATOM 176 OD2 ASP A 10 9.996 -13.153 -2.323 1.00 24.44 O ATOM 0 H ASP A 10 8.147 -10.780 -5.826 1.00 13.15 H new ATOM 0 HA ASP A 10 10.631 -11.376 -4.726 1.00 52.44 H new ATOM 0 HB2 ASP A 10 7.888 -12.306 -4.575 1.00 13.24 H new ATOM 0 HB3 ASP A 10 8.969 -13.685 -4.570 1.00 13.24 H new ATOM 181 N PRO A 11 9.728 -13.558 -7.071 1.00 14.30 N ATOM 182 CA PRO A 11 10.226 -14.547 -8.031 1.00 24.13 C ATOM 183 C PRO A 11 10.995 -13.904 -9.180 1.00 54.31 C ATOM 184 O PRO A 11 11.796 -14.558 -9.846 1.00 45.21 O ATOM 185 CB PRO A 11 8.950 -15.214 -8.548 1.00 73.51 C ATOM 186 CG PRO A 11 7.883 -14.192 -8.356 1.00 63.02 C ATOM 187 CD PRO A 11 8.262 -13.426 -7.119 1.00 34.44 C ATOM 0 HA PRO A 11 10.930 -15.241 -7.572 1.00 24.13 H new ATOM 0 HB2 PRO A 11 9.047 -15.493 -9.597 1.00 73.51 H new ATOM 0 HB3 PRO A 11 8.728 -16.126 -7.995 1.00 73.51 H new ATOM 0 HG2 PRO A 11 7.816 -13.530 -9.220 1.00 63.02 H new ATOM 0 HG3 PRO A 11 6.907 -14.664 -8.239 1.00 63.02 H new ATOM 0 HD2 PRO A 11 7.955 -12.382 -7.183 1.00 34.44 H new ATOM 0 HD3 PRO A 11 7.792 -13.843 -6.228 1.00 34.44 H new ATOM 195 N ALA A 12 10.744 -12.618 -9.407 1.00 23.41 N ATOM 196 CA ALA A 12 11.415 -11.886 -10.474 1.00 75.33 C ATOM 197 C ALA A 12 12.912 -11.777 -10.209 1.00 22.41 C ATOM 198 O ALA A 12 13.730 -12.059 -11.085 1.00 51.12 O ATOM 199 CB ALA A 12 10.802 -10.502 -10.630 1.00 62.23 C ATOM 0 H ALA A 12 10.081 -12.062 -8.866 1.00 23.41 H new ATOM 0 HA ALA A 12 11.277 -12.440 -11.403 1.00 75.33 H new ATOM 0 HB1 ALA A 12 11.312 -9.966 -11.430 1.00 62.23 H new ATOM 0 HB2 ALA A 12 9.744 -10.598 -10.875 1.00 62.23 H new ATOM 0 HB3 ALA A 12 10.910 -9.949 -9.697 1.00 62.23 H new ATOM 205 N TYR A 13 13.265 -11.367 -8.996 1.00 12.32 N ATOM 206 CA TYR A 13 14.665 -11.218 -8.616 1.00 53.53 C ATOM 207 C TYR A 13 15.415 -12.536 -8.774 1.00 65.22 C ATOM 208 O TYR A 13 16.537 -12.567 -9.280 1.00 75.34 O ATOM 209 CB TYR A 13 14.774 -10.726 -7.172 1.00 54.51 C ATOM 210 CG TYR A 13 15.976 -9.843 -6.922 1.00 55.21 C ATOM 211 CD1 TYR A 13 17.263 -10.299 -7.177 1.00 73.33 C ATOM 212 CD2 TYR A 13 15.824 -8.552 -6.432 1.00 14.43 C ATOM 213 CE1 TYR A 13 18.364 -9.496 -6.950 1.00 35.44 C ATOM 214 CE2 TYR A 13 16.919 -7.741 -6.202 1.00 74.24 C ATOM 215 CZ TYR A 13 18.186 -8.218 -6.462 1.00 64.24 C ATOM 216 OH TYR A 13 19.280 -7.415 -6.236 1.00 4.24 O ATOM 0 H TYR A 13 12.601 -11.132 -8.259 1.00 12.32 H new ATOM 0 HA TYR A 13 15.119 -10.481 -9.279 1.00 53.53 H new ATOM 0 HB2 TYR A 13 13.869 -10.175 -6.916 1.00 54.51 H new ATOM 0 HB3 TYR A 13 14.822 -11.588 -6.506 1.00 54.51 H new ATOM 0 HD1 TYR A 13 17.405 -11.299 -7.559 1.00 73.33 H new ATOM 0 HD2 TYR A 13 14.833 -8.176 -6.227 1.00 14.43 H new ATOM 0 HE1 TYR A 13 19.358 -9.866 -7.153 1.00 35.44 H new ATOM 0 HE2 TYR A 13 16.783 -6.740 -5.821 1.00 74.24 H new ATOM 0 HH TYR A 13 18.983 -6.546 -5.894 1.00 4.24 H new ATOM 226 N GLU A 14 14.787 -13.623 -8.337 1.00 63.31 N ATOM 227 CA GLU A 14 15.396 -14.945 -8.430 1.00 33.34 C ATOM 228 C GLU A 14 15.629 -15.336 -9.886 1.00 73.41 C ATOM 229 O GLU A 14 16.548 -16.094 -10.198 1.00 34.33 O ATOM 230 CB GLU A 14 14.509 -15.988 -7.746 1.00 20.13 C ATOM 231 CG GLU A 14 14.237 -15.689 -6.281 1.00 55.01 C ATOM 232 CD GLU A 14 15.405 -16.051 -5.385 1.00 34.15 C ATOM 233 OE1 GLU A 14 16.561 -15.811 -5.790 1.00 20.41 O ATOM 234 OE2 GLU A 14 15.161 -16.574 -4.277 1.00 25.32 O ATOM 0 H GLU A 14 13.858 -13.615 -7.916 1.00 63.31 H new ATOM 0 HA GLU A 14 16.360 -14.909 -7.923 1.00 33.34 H new ATOM 0 HB2 GLU A 14 13.560 -16.050 -8.278 1.00 20.13 H new ATOM 0 HB3 GLU A 14 14.984 -16.966 -7.826 1.00 20.13 H new ATOM 0 HG2 GLU A 14 14.011 -14.629 -6.166 1.00 55.01 H new ATOM 0 HG3 GLU A 14 13.353 -16.240 -5.960 1.00 55.01 H new ATOM 241 N PHE A 15 14.789 -14.814 -10.774 1.00 64.23 N ATOM 242 CA PHE A 15 14.902 -15.109 -12.198 1.00 31.21 C ATOM 243 C PHE A 15 16.133 -14.435 -12.797 1.00 74.14 C ATOM 244 O PHE A 15 16.862 -15.039 -13.584 1.00 44.34 O ATOM 245 CB PHE A 15 13.644 -14.649 -12.937 1.00 14.12 C ATOM 246 CG PHE A 15 13.047 -15.706 -13.821 1.00 30.41 C ATOM 247 CD1 PHE A 15 12.723 -16.953 -13.310 1.00 53.02 C ATOM 248 CD2 PHE A 15 12.810 -15.454 -15.162 1.00 51.24 C ATOM 249 CE1 PHE A 15 12.174 -17.928 -14.122 1.00 24.02 C ATOM 250 CE2 PHE A 15 12.261 -16.425 -15.979 1.00 3.11 C ATOM 251 CZ PHE A 15 11.942 -17.663 -15.457 1.00 62.35 C ATOM 0 H PHE A 15 14.023 -14.185 -10.533 1.00 64.23 H new ATOM 0 HA PHE A 15 15.008 -16.188 -12.313 1.00 31.21 H new ATOM 0 HB2 PHE A 15 12.898 -14.334 -12.207 1.00 14.12 H new ATOM 0 HB3 PHE A 15 13.887 -13.775 -13.542 1.00 14.12 H new ATOM 0 HD1 PHE A 15 12.901 -17.165 -12.266 1.00 53.02 H new ATOM 0 HD2 PHE A 15 13.057 -14.487 -15.575 1.00 51.24 H new ATOM 0 HE1 PHE A 15 11.927 -18.896 -13.712 1.00 24.02 H new ATOM 0 HE2 PHE A 15 12.082 -16.216 -17.023 1.00 3.11 H new ATOM 0 HZ PHE A 15 11.512 -18.423 -16.092 1.00 62.35 H new ATOM 261 N ILE A 16 16.355 -13.181 -12.420 1.00 5.30 N ATOM 262 CA ILE A 16 17.497 -12.425 -12.919 1.00 42.33 C ATOM 263 C ILE A 16 18.809 -13.135 -12.601 1.00 14.43 C ATOM 264 O ILE A 16 19.809 -12.958 -13.297 1.00 35.01 O ATOM 265 CB ILE A 16 17.537 -11.005 -12.323 1.00 32.31 C ATOM 266 CG1 ILE A 16 16.228 -10.269 -12.615 1.00 72.01 C ATOM 267 CG2 ILE A 16 18.722 -10.230 -12.879 1.00 22.25 C ATOM 268 CD1 ILE A 16 15.913 -10.158 -14.091 1.00 20.45 C ATOM 0 H ILE A 16 15.759 -12.667 -11.771 1.00 5.30 H new ATOM 0 HA ILE A 16 17.379 -12.353 -14.000 1.00 42.33 H new ATOM 0 HB ILE A 16 17.655 -11.084 -11.242 1.00 32.31 H new ATOM 0 HG12 ILE A 16 15.410 -10.788 -12.115 1.00 72.01 H new ATOM 0 HG13 ILE A 16 16.280 -9.268 -12.187 1.00 72.01 H new ATOM 0 HG21 ILE A 16 18.736 -9.229 -12.448 1.00 22.25 H new ATOM 0 HG22 ILE A 16 19.647 -10.748 -12.625 1.00 22.25 H new ATOM 0 HG23 ILE A 16 18.633 -10.157 -13.963 1.00 22.25 H new ATOM 0 HD11 ILE A 16 14.971 -9.625 -14.223 1.00 20.45 H new ATOM 0 HD12 ILE A 16 16.712 -9.613 -14.594 1.00 20.45 H new ATOM 0 HD13 ILE A 16 15.828 -11.156 -14.521 1.00 20.45 H new ATOM 280 N LYS A 17 18.797 -13.940 -11.544 1.00 61.42 N ATOM 281 CA LYS A 17 19.984 -14.681 -11.133 1.00 70.14 C ATOM 282 C LYS A 17 20.423 -15.654 -12.224 1.00 11.45 C ATOM 283 O LYS A 17 21.613 -15.918 -12.391 1.00 13.12 O ATOM 284 CB LYS A 17 19.710 -15.444 -9.835 1.00 5.50 C ATOM 285 CG LYS A 17 19.221 -14.559 -8.702 1.00 1.44 C ATOM 286 CD LYS A 17 20.375 -13.860 -8.002 1.00 14.22 C ATOM 287 CE LYS A 17 20.382 -14.155 -6.510 1.00 1.54 C ATOM 288 NZ LYS A 17 21.612 -13.637 -5.848 1.00 53.31 N ATOM 0 H LYS A 17 17.978 -14.096 -10.956 1.00 61.42 H new ATOM 0 HA LYS A 17 20.788 -13.965 -10.964 1.00 70.14 H new ATOM 0 HB2 LYS A 17 18.966 -16.217 -10.028 1.00 5.50 H new ATOM 0 HB3 LYS A 17 20.623 -15.951 -9.521 1.00 5.50 H new ATOM 0 HG2 LYS A 17 18.528 -13.815 -9.094 1.00 1.44 H new ATOM 0 HG3 LYS A 17 18.668 -15.161 -7.981 1.00 1.44 H new ATOM 0 HD2 LYS A 17 21.318 -14.183 -8.442 1.00 14.22 H new ATOM 0 HD3 LYS A 17 20.301 -12.784 -8.161 1.00 14.22 H new ATOM 0 HE2 LYS A 17 19.504 -13.706 -6.047 1.00 1.54 H new ATOM 0 HE3 LYS A 17 20.310 -15.231 -6.352 1.00 1.54 H new ATOM 0 HZ1 LYS A 17 21.579 -13.858 -4.832 1.00 53.31 H new ATOM 0 HZ2 LYS A 17 22.449 -14.084 -6.272 1.00 53.31 H new ATOM 0 HZ3 LYS A 17 21.668 -12.606 -5.976 1.00 53.31 H new ATOM 302 N GLY A 18 19.453 -16.182 -12.964 1.00 64.42 N ATOM 303 CA GLY A 18 19.761 -17.119 -14.030 1.00 13.53 C ATOM 304 C GLY A 18 19.798 -16.455 -15.392 1.00 0.52 C ATOM 305 O GLY A 18 20.555 -16.866 -16.271 1.00 23.52 O ATOM 0 H GLY A 18 18.461 -15.978 -12.845 1.00 64.42 H new ATOM 0 HA2 GLY A 18 20.725 -17.587 -13.831 1.00 13.53 H new ATOM 0 HA3 GLY A 18 19.016 -17.914 -14.037 1.00 13.53 H new ATOM 309 N PHE A 19 18.977 -15.425 -15.569 1.00 2.40 N ATOM 310 CA PHE A 19 18.917 -14.704 -16.835 1.00 43.32 C ATOM 311 C PHE A 19 20.197 -13.906 -17.068 1.00 10.43 C ATOM 312 O PHE A 19 20.579 -13.642 -18.207 1.00 70.31 O ATOM 313 CB PHE A 19 17.708 -13.767 -16.856 1.00 53.13 C ATOM 314 CG PHE A 19 16.765 -14.031 -17.995 1.00 72.03 C ATOM 315 CD1 PHE A 19 16.188 -15.280 -18.159 1.00 51.00 C ATOM 316 CD2 PHE A 19 16.456 -13.030 -18.903 1.00 31.35 C ATOM 317 CE1 PHE A 19 15.319 -15.526 -19.206 1.00 25.32 C ATOM 318 CE2 PHE A 19 15.588 -13.271 -19.951 1.00 10.41 C ATOM 319 CZ PHE A 19 15.020 -14.520 -20.103 1.00 60.45 C ATOM 0 H PHE A 19 18.344 -15.071 -14.852 1.00 2.40 H new ATOM 0 HA PHE A 19 18.815 -15.436 -17.636 1.00 43.32 H new ATOM 0 HB2 PHE A 19 17.166 -13.865 -15.916 1.00 53.13 H new ATOM 0 HB3 PHE A 19 18.058 -12.736 -16.916 1.00 53.13 H new ATOM 0 HD1 PHE A 19 16.420 -16.071 -17.461 1.00 51.00 H new ATOM 0 HD2 PHE A 19 16.898 -12.051 -18.790 1.00 31.35 H new ATOM 0 HE1 PHE A 19 14.875 -16.504 -19.322 1.00 25.32 H new ATOM 0 HE2 PHE A 19 15.354 -12.482 -20.651 1.00 10.41 H new ATOM 0 HZ PHE A 19 14.343 -14.710 -20.922 1.00 60.45 H new ATOM 329 N GLY A 20 20.855 -13.523 -15.978 1.00 1.24 N ATOM 330 CA GLY A 20 22.084 -12.758 -16.083 1.00 60.22 C ATOM 331 C GLY A 20 23.085 -13.117 -15.003 1.00 32.02 C ATOM 332 O GLY A 20 23.580 -12.244 -14.289 1.00 75.21 O ATOM 0 H GLY A 20 20.559 -13.729 -15.024 1.00 1.24 H new ATOM 0 HA2 GLY A 20 22.533 -12.930 -17.061 1.00 60.22 H new ATOM 0 HA3 GLY A 20 21.853 -11.695 -16.021 1.00 60.22 H new ATOM 336 N LYS A 21 23.384 -14.406 -14.880 1.00 14.22 N ATOM 337 CA LYS A 21 24.332 -14.880 -13.878 1.00 54.25 C ATOM 338 C LYS A 21 25.716 -14.284 -14.114 1.00 54.52 C ATOM 339 O LYS A 21 26.559 -14.274 -13.218 1.00 72.14 O ATOM 340 CB LYS A 21 24.412 -16.408 -13.905 1.00 53.21 C ATOM 341 CG LYS A 21 25.033 -16.962 -15.175 1.00 65.31 C ATOM 342 CD LYS A 21 24.021 -17.742 -15.997 1.00 61.03 C ATOM 343 CE LYS A 21 24.172 -19.241 -15.791 1.00 63.44 C ATOM 344 NZ LYS A 21 23.964 -19.999 -17.057 1.00 11.24 N ATOM 0 H LYS A 21 22.983 -15.142 -15.462 1.00 14.22 H new ATOM 0 HA LYS A 21 23.979 -14.558 -12.898 1.00 54.25 H new ATOM 0 HB2 LYS A 21 24.993 -16.748 -13.048 1.00 53.21 H new ATOM 0 HB3 LYS A 21 23.408 -16.818 -13.792 1.00 53.21 H new ATOM 0 HG2 LYS A 21 25.434 -16.143 -15.772 1.00 65.31 H new ATOM 0 HG3 LYS A 21 25.871 -17.610 -14.918 1.00 65.31 H new ATOM 0 HD2 LYS A 21 23.012 -17.435 -15.720 1.00 61.03 H new ATOM 0 HD3 LYS A 21 24.148 -17.504 -17.053 1.00 61.03 H new ATOM 0 HE2 LYS A 21 25.166 -19.455 -15.399 1.00 63.44 H new ATOM 0 HE3 LYS A 21 23.454 -19.579 -15.043 1.00 63.44 H new ATOM 0 HZ1 LYS A 21 24.075 -21.017 -16.875 1.00 11.24 H new ATOM 0 HZ2 LYS A 21 23.006 -19.815 -17.419 1.00 11.24 H new ATOM 0 HZ3 LYS A 21 24.665 -19.695 -17.763 1.00 11.24 H new ATOM 358 N GLY A 22 25.942 -13.785 -15.326 1.00 11.11 N ATOM 359 CA GLY A 22 27.225 -13.192 -15.656 1.00 73.35 C ATOM 360 C GLY A 22 27.085 -11.815 -16.274 1.00 63.22 C ATOM 361 O GLY A 22 27.874 -11.432 -17.137 1.00 43.13 O ATOM 0 H GLY A 22 25.260 -13.781 -16.084 1.00 11.11 H new ATOM 0 HA2 GLY A 22 27.832 -13.122 -14.754 1.00 73.35 H new ATOM 0 HA3 GLY A 22 27.757 -13.845 -16.348 1.00 73.35 H new ATOM 365 N ALA A 23 26.078 -11.070 -15.833 1.00 14.43 N ATOM 366 CA ALA A 23 25.838 -9.727 -16.348 1.00 34.33 C ATOM 367 C ALA A 23 27.074 -8.849 -16.188 1.00 51.04 C ATOM 368 O ALA A 23 27.973 -9.163 -15.408 1.00 10.45 O ATOM 369 CB ALA A 23 24.646 -9.097 -15.643 1.00 14.11 C ATOM 0 H ALA A 23 25.415 -11.373 -15.120 1.00 14.43 H new ATOM 0 HA ALA A 23 25.616 -9.807 -17.412 1.00 34.33 H new ATOM 0 HB1 ALA A 23 24.478 -8.095 -16.037 1.00 14.11 H new ATOM 0 HB2 ALA A 23 23.759 -9.707 -15.813 1.00 14.11 H new ATOM 0 HB3 ALA A 23 24.846 -9.037 -14.573 1.00 14.11 H new ATOM 375 N ILE A 24 27.113 -7.749 -16.933 1.00 74.31 N ATOM 376 CA ILE A 24 28.239 -6.826 -16.873 1.00 60.14 C ATOM 377 C ILE A 24 28.050 -5.799 -15.762 1.00 54.14 C ATOM 378 O ILE A 24 29.019 -5.254 -15.234 1.00 14.43 O ATOM 379 CB ILE A 24 28.434 -6.089 -18.211 1.00 40.43 C ATOM 380 CG1 ILE A 24 28.693 -7.091 -19.338 1.00 42.20 C ATOM 381 CG2 ILE A 24 29.580 -5.094 -18.106 1.00 4.04 C ATOM 382 CD1 ILE A 24 27.429 -7.640 -19.961 1.00 51.31 C ATOM 0 H ILE A 24 26.378 -7.476 -17.585 1.00 74.31 H new ATOM 0 HA ILE A 24 29.126 -7.424 -16.664 1.00 60.14 H new ATOM 0 HB ILE A 24 27.521 -5.539 -18.442 1.00 40.43 H new ATOM 0 HG12 ILE A 24 29.290 -6.609 -20.112 1.00 42.20 H new ATOM 0 HG13 ILE A 24 29.285 -7.919 -18.948 1.00 42.20 H new ATOM 0 HG21 ILE A 24 29.705 -4.581 -19.060 1.00 4.04 H new ATOM 0 HG22 ILE A 24 29.358 -4.364 -17.328 1.00 4.04 H new ATOM 0 HG23 ILE A 24 30.499 -5.623 -17.855 1.00 4.04 H new ATOM 0 HD11 ILE A 24 27.689 -8.343 -20.752 1.00 51.31 H new ATOM 0 HD12 ILE A 24 26.840 -8.152 -19.199 1.00 51.31 H new ATOM 0 HD13 ILE A 24 26.845 -6.821 -20.381 1.00 51.31 H new ATOM 394 N LYS A 25 26.795 -5.540 -15.411 1.00 74.21 N ATOM 395 CA LYS A 25 26.476 -4.581 -14.360 1.00 51.24 C ATOM 396 C LYS A 25 26.850 -5.132 -12.988 1.00 64.14 C ATOM 397 O LYS A 25 27.246 -4.383 -12.096 1.00 21.10 O ATOM 398 CB LYS A 25 24.986 -4.234 -14.393 1.00 12.20 C ATOM 399 CG LYS A 25 24.077 -5.451 -14.383 1.00 24.12 C ATOM 400 CD LYS A 25 23.412 -5.662 -15.733 1.00 2.24 C ATOM 401 CE LYS A 25 22.235 -4.718 -15.927 1.00 62.32 C ATOM 402 NZ LYS A 25 22.621 -3.501 -16.693 1.00 1.44 N ATOM 0 H LYS A 25 25.981 -5.981 -15.840 1.00 74.21 H new ATOM 0 HA LYS A 25 27.058 -3.677 -14.539 1.00 51.24 H new ATOM 0 HB2 LYS A 25 24.749 -3.607 -13.534 1.00 12.20 H new ATOM 0 HB3 LYS A 25 24.779 -3.644 -15.286 1.00 12.20 H new ATOM 0 HG2 LYS A 25 24.656 -6.336 -14.119 1.00 24.12 H new ATOM 0 HG3 LYS A 25 23.313 -5.329 -13.615 1.00 24.12 H new ATOM 0 HD2 LYS A 25 24.141 -5.505 -16.528 1.00 2.24 H new ATOM 0 HD3 LYS A 25 23.070 -6.694 -15.814 1.00 2.24 H new ATOM 0 HE2 LYS A 25 21.434 -5.239 -16.452 1.00 62.32 H new ATOM 0 HE3 LYS A 25 21.840 -4.425 -14.954 1.00 62.32 H new ATOM 0 HZ1 LYS A 25 21.789 -3.126 -17.192 1.00 1.44 H new ATOM 0 HZ2 LYS A 25 22.986 -2.780 -16.038 1.00 1.44 H new ATOM 0 HZ3 LYS A 25 23.358 -3.745 -17.385 1.00 1.44 H new ATOM 416 N GLU A 26 26.724 -6.446 -12.829 1.00 12.23 N ATOM 417 CA GLU A 26 27.050 -7.096 -11.565 1.00 1.01 C ATOM 418 C GLU A 26 28.558 -7.101 -11.329 1.00 13.22 C ATOM 419 O GLU A 26 29.019 -7.022 -10.191 1.00 42.12 O ATOM 420 CB GLU A 26 26.516 -8.530 -11.551 1.00 0.23 C ATOM 421 CG GLU A 26 25.003 -8.617 -11.660 1.00 0.25 C ATOM 422 CD GLU A 26 24.350 -9.062 -10.366 1.00 33.53 C ATOM 423 OE1 GLU A 26 24.828 -10.048 -9.768 1.00 24.44 O ATOM 424 OE2 GLU A 26 23.359 -8.424 -9.951 1.00 62.35 O ATOM 0 H GLU A 26 26.399 -7.080 -13.559 1.00 12.23 H new ATOM 0 HA GLU A 26 26.576 -6.531 -10.762 1.00 1.01 H new ATOM 0 HB2 GLU A 26 26.964 -9.084 -12.376 1.00 0.23 H new ATOM 0 HB3 GLU A 26 26.834 -9.018 -10.630 1.00 0.23 H new ATOM 0 HG2 GLU A 26 24.606 -7.643 -11.947 1.00 0.25 H new ATOM 0 HG3 GLU A 26 24.739 -9.315 -12.455 1.00 0.25 H new ATOM 431 N GLY A 27 29.321 -7.195 -12.414 1.00 14.31 N ATOM 432 CA GLY A 27 30.768 -7.209 -12.304 1.00 54.04 C ATOM 433 C GLY A 27 31.404 -8.274 -13.175 1.00 24.45 C ATOM 434 O GLY A 27 31.433 -9.449 -12.809 1.00 13.53 O ATOM 0 H GLY A 27 28.963 -7.262 -13.367 1.00 14.31 H new ATOM 0 HA2 GLY A 27 31.160 -6.232 -12.585 1.00 54.04 H new ATOM 0 HA3 GLY A 27 31.049 -7.378 -11.265 1.00 54.04 H new ATOM 438 N ASN A 28 31.916 -7.864 -14.331 1.00 34.22 N ATOM 439 CA ASN A 28 32.553 -8.793 -15.257 1.00 21.10 C ATOM 440 C ASN A 28 33.616 -9.626 -14.547 1.00 3.52 C ATOM 441 O ASN A 28 34.525 -9.085 -13.916 1.00 31.23 O ATOM 442 CB ASN A 28 33.182 -8.030 -16.425 1.00 23.35 C ATOM 443 CG ASN A 28 32.319 -8.066 -17.671 1.00 11.02 C ATOM 444 OD1 ASN A 28 31.704 -7.066 -18.042 1.00 61.13 O ATOM 445 ND2 ASN A 28 32.269 -9.222 -18.323 1.00 11.32 N ATOM 0 H ASN A 28 31.902 -6.895 -14.649 1.00 34.22 H new ATOM 0 HA ASN A 28 31.787 -9.466 -15.642 1.00 21.10 H new ATOM 0 HB2 ASN A 28 33.348 -6.994 -16.131 1.00 23.35 H new ATOM 0 HB3 ASN A 28 34.159 -8.458 -16.651 1.00 23.35 H new ATOM 0 HD21 ASN A 28 31.704 -9.307 -19.168 1.00 11.32 H new ATOM 0 HD22 ASN A 28 32.796 -10.025 -17.979 1.00 11.32 H new ATOM 452 N LYS A 29 33.497 -10.944 -14.655 1.00 33.43 N ATOM 453 CA LYS A 29 34.447 -11.853 -14.025 1.00 64.44 C ATOM 454 C LYS A 29 35.741 -11.931 -14.830 1.00 52.43 C ATOM 455 O LYS A 29 36.693 -12.601 -14.430 1.00 52.03 O ATOM 456 CB LYS A 29 33.836 -13.249 -13.888 1.00 75.31 C ATOM 457 CG LYS A 29 32.867 -13.377 -12.725 1.00 22.30 C ATOM 458 CD LYS A 29 31.533 -13.953 -13.171 1.00 3.34 C ATOM 459 CE LYS A 29 31.522 -15.471 -13.078 1.00 2.24 C ATOM 460 NZ LYS A 29 30.137 -16.017 -13.092 1.00 20.31 N ATOM 0 H LYS A 29 32.751 -11.408 -15.174 1.00 33.43 H new ATOM 0 HA LYS A 29 34.678 -11.465 -13.033 1.00 64.44 H new ATOM 0 HB2 LYS A 29 33.317 -13.501 -14.812 1.00 75.31 H new ATOM 0 HB3 LYS A 29 34.638 -13.977 -13.764 1.00 75.31 H new ATOM 0 HG2 LYS A 29 33.302 -14.016 -11.957 1.00 22.30 H new ATOM 0 HG3 LYS A 29 32.709 -12.398 -12.273 1.00 22.30 H new ATOM 0 HD2 LYS A 29 30.734 -13.544 -12.553 1.00 3.34 H new ATOM 0 HD3 LYS A 29 31.329 -13.649 -14.198 1.00 3.34 H new ATOM 0 HE2 LYS A 29 32.086 -15.890 -13.911 1.00 2.24 H new ATOM 0 HE3 LYS A 29 32.026 -15.783 -12.163 1.00 2.24 H new ATOM 0 HZ1 LYS A 29 30.172 -17.054 -13.027 1.00 20.31 H new ATOM 0 HZ2 LYS A 29 29.606 -15.637 -12.283 1.00 20.31 H new ATOM 0 HZ3 LYS A 29 29.664 -15.741 -13.976 1.00 20.31 H new ATOM 474 N ASP A 30 35.768 -11.240 -15.965 1.00 3.13 N ATOM 475 CA ASP A 30 36.946 -11.228 -16.824 1.00 62.45 C ATOM 476 C ASP A 30 37.069 -9.898 -17.561 1.00 14.13 C ATOM 477 O ASP A 30 37.291 -9.864 -18.771 1.00 41.21 O ATOM 478 CB ASP A 30 36.881 -12.378 -17.831 1.00 35.21 C ATOM 479 CG ASP A 30 36.249 -13.625 -17.245 1.00 32.54 C ATOM 480 OD1 ASP A 30 35.002 -13.704 -17.219 1.00 5.55 O ATOM 481 OD2 ASP A 30 37.001 -14.524 -16.813 1.00 14.13 O ATOM 0 H ASP A 30 34.988 -10.681 -16.311 1.00 3.13 H new ATOM 0 HA ASP A 30 37.826 -11.356 -16.193 1.00 62.45 H new ATOM 0 HB2 ASP A 30 36.311 -12.061 -18.704 1.00 35.21 H new ATOM 0 HB3 ASP A 30 37.888 -12.612 -18.176 1.00 35.21 H new ATOM 486 N LYS A 31 36.921 -8.803 -16.822 1.00 73.32 N ATOM 487 CA LYS A 31 37.015 -7.469 -17.403 1.00 74.34 C ATOM 488 C LYS A 31 38.465 -7.109 -17.706 1.00 5.51 C ATOM 489 O LYS A 31 38.741 -6.280 -18.574 1.00 15.34 O ATOM 490 CB LYS A 31 36.408 -6.433 -16.455 1.00 34.45 C ATOM 491 CG LYS A 31 37.251 -6.172 -15.219 1.00 23.22 C ATOM 492 CD LYS A 31 36.404 -6.163 -13.957 1.00 45.32 C ATOM 493 CE LYS A 31 37.248 -6.417 -12.718 1.00 23.34 C ATOM 494 NZ LYS A 31 36.473 -6.201 -11.465 1.00 32.22 N ATOM 0 H LYS A 31 36.735 -8.814 -15.819 1.00 73.32 H new ATOM 0 HA LYS A 31 36.456 -7.467 -18.339 1.00 74.34 H new ATOM 0 HB2 LYS A 31 36.270 -5.496 -16.995 1.00 34.45 H new ATOM 0 HB3 LYS A 31 35.419 -6.771 -16.145 1.00 34.45 H new ATOM 0 HG2 LYS A 31 38.022 -6.938 -15.135 1.00 23.22 H new ATOM 0 HG3 LYS A 31 37.762 -5.215 -15.322 1.00 23.22 H new ATOM 0 HD2 LYS A 31 35.899 -5.202 -13.864 1.00 45.32 H new ATOM 0 HD3 LYS A 31 35.628 -6.925 -14.033 1.00 45.32 H new ATOM 0 HE2 LYS A 31 37.626 -7.439 -12.739 1.00 23.34 H new ATOM 0 HE3 LYS A 31 38.115 -5.756 -12.727 1.00 23.34 H new ATOM 0 HZ1 LYS A 31 37.084 -6.384 -10.643 1.00 32.22 H new ATOM 0 HZ2 LYS A 31 36.133 -5.219 -11.432 1.00 32.22 H new ATOM 0 HZ3 LYS A 31 35.660 -6.849 -11.444 1.00 32.22 H new ATOM 508 N TRP A 32 39.389 -7.736 -16.987 1.00 35.53 N ATOM 509 CA TRP A 32 40.812 -7.482 -17.180 1.00 54.10 C ATOM 510 C TRP A 32 41.256 -7.907 -18.575 1.00 61.11 C ATOM 511 O TRP A 32 42.234 -7.386 -19.112 1.00 20.30 O ATOM 512 CB TRP A 32 41.631 -8.223 -16.122 1.00 44.43 C ATOM 513 CG TRP A 32 41.302 -9.682 -16.030 1.00 44.12 C ATOM 514 CD1 TRP A 32 40.376 -10.263 -15.212 1.00 24.22 C ATOM 515 CD2 TRP A 32 41.899 -10.744 -16.782 1.00 60.04 C ATOM 516 NE1 TRP A 32 40.361 -11.623 -15.410 1.00 44.20 N ATOM 517 CE2 TRP A 32 41.286 -11.943 -16.369 1.00 54.10 C ATOM 518 CE3 TRP A 32 42.890 -10.799 -17.766 1.00 51.12 C ATOM 519 CZ2 TRP A 32 41.633 -13.180 -16.905 1.00 41.24 C ATOM 520 CZ3 TRP A 32 43.234 -12.027 -18.297 1.00 72.43 C ATOM 521 CH2 TRP A 32 42.607 -13.204 -17.867 1.00 35.21 C ATOM 0 H TRP A 32 39.178 -8.424 -16.265 1.00 35.53 H new ATOM 0 HA TRP A 32 40.982 -6.410 -17.076 1.00 54.10 H new ATOM 0 HB2 TRP A 32 42.691 -8.111 -16.349 1.00 44.43 H new ATOM 0 HB3 TRP A 32 41.462 -7.758 -15.151 1.00 44.43 H new ATOM 0 HD1 TRP A 32 39.748 -9.732 -14.512 1.00 24.22 H new ATOM 0 HE1 TRP A 32 39.759 -12.286 -14.922 1.00 44.20 H new ATOM 0 HE3 TRP A 32 43.378 -9.897 -18.105 1.00 51.12 H new ATOM 0 HZ2 TRP A 32 41.151 -14.088 -16.574 1.00 41.24 H new ATOM 0 HZ3 TRP A 32 44.000 -12.081 -19.057 1.00 72.43 H new ATOM 0 HH2 TRP A 32 42.898 -14.148 -18.303 1.00 35.21 H new ATOM 532 N LYS A 33 40.532 -8.856 -19.158 1.00 60.34 N ATOM 533 CA LYS A 33 40.850 -9.351 -20.493 1.00 24.05 C ATOM 534 C LYS A 33 40.635 -8.265 -21.541 1.00 43.44 C ATOM 535 O LYS A 33 41.244 -8.292 -22.610 1.00 54.23 O ATOM 536 CB LYS A 33 39.991 -10.573 -20.825 1.00 14.35 C ATOM 537 CG LYS A 33 39.890 -11.573 -19.686 1.00 63.43 C ATOM 538 CD LYS A 33 39.633 -12.980 -20.201 1.00 51.41 C ATOM 539 CE LYS A 33 40.841 -13.532 -20.942 1.00 51.55 C ATOM 540 NZ LYS A 33 40.912 -15.017 -20.859 1.00 2.42 N ATOM 0 H LYS A 33 39.720 -9.298 -18.727 1.00 60.34 H new ATOM 0 HA LYS A 33 41.901 -9.640 -20.505 1.00 24.05 H new ATOM 0 HB2 LYS A 33 38.989 -10.240 -21.095 1.00 14.35 H new ATOM 0 HB3 LYS A 33 40.407 -11.072 -21.700 1.00 14.35 H new ATOM 0 HG2 LYS A 33 40.813 -11.560 -19.106 1.00 63.43 H new ATOM 0 HG3 LYS A 33 39.085 -11.278 -19.012 1.00 63.43 H new ATOM 0 HD2 LYS A 33 39.387 -13.635 -19.365 1.00 51.41 H new ATOM 0 HD3 LYS A 33 38.769 -12.973 -20.866 1.00 51.41 H new ATOM 0 HE2 LYS A 33 40.795 -13.229 -21.988 1.00 51.55 H new ATOM 0 HE3 LYS A 33 41.751 -13.101 -20.525 1.00 51.55 H new ATOM 0 HZ1 LYS A 33 41.749 -15.354 -21.376 1.00 2.42 H new ATOM 0 HZ2 LYS A 33 40.981 -15.306 -19.862 1.00 2.42 H new ATOM 0 HZ3 LYS A 33 40.055 -15.430 -21.280 1.00 2.42 H new ATOM 554 N ASN A 34 39.767 -7.309 -21.227 1.00 51.22 N ATOM 555 CA ASN A 34 39.473 -6.212 -22.143 1.00 34.41 C ATOM 556 C ASN A 34 40.355 -5.004 -21.846 1.00 10.24 C ATOM 557 O ASN A 34 40.127 -3.913 -22.369 1.00 42.30 O ATOM 558 CB ASN A 34 37.998 -5.818 -22.042 1.00 73.23 C ATOM 559 CG ASN A 34 37.203 -6.235 -23.265 1.00 21.42 C ATOM 560 OD1 ASN A 34 36.771 -5.395 -24.054 1.00 73.41 O ATOM 561 ND2 ASN A 34 37.007 -7.539 -23.426 1.00 40.23 N ATOM 0 H ASN A 34 39.255 -7.271 -20.346 1.00 51.22 H new ATOM 0 HA ASN A 34 39.683 -6.552 -23.157 1.00 34.41 H new ATOM 0 HB2 ASN A 34 37.562 -6.277 -21.155 1.00 73.23 H new ATOM 0 HB3 ASN A 34 37.921 -4.738 -21.913 1.00 73.23 H new ATOM 0 HD21 ASN A 34 36.480 -7.880 -24.230 1.00 40.23 H new ATOM 0 HD22 ASN A 34 37.384 -8.199 -22.746 1.00 40.23 H new ATOM 568 N ILE A 35 41.362 -5.206 -21.003 1.00 63.52 N ATOM 569 CA ILE A 35 42.280 -4.134 -20.638 1.00 74.20 C ATOM 570 C ILE A 35 43.710 -4.650 -20.523 1.00 42.34 C ATOM 571 O ILE A 35 44.210 -5.331 -21.419 1.00 52.41 O ATOM 572 CB ILE A 35 41.875 -3.476 -19.306 1.00 34.33 C ATOM 573 CG1 ILE A 35 40.420 -3.007 -19.365 1.00 54.32 C ATOM 574 CG2 ILE A 35 42.800 -2.312 -18.987 1.00 42.42 C ATOM 575 CD1 ILE A 35 40.190 -1.871 -20.338 1.00 64.53 C ATOM 0 H ILE A 35 41.563 -6.102 -20.560 1.00 63.52 H new ATOM 0 HA ILE A 35 42.228 -3.390 -21.433 1.00 74.20 H new ATOM 0 HB ILE A 35 41.966 -4.215 -18.510 1.00 34.33 H new ATOM 0 HG12 ILE A 35 39.787 -3.849 -19.645 1.00 54.32 H new ATOM 0 HG13 ILE A 35 40.108 -2.691 -18.370 1.00 54.32 H new ATOM 0 HG21 ILE A 35 42.501 -1.858 -18.043 1.00 42.42 H new ATOM 0 HG22 ILE A 35 43.825 -2.673 -18.907 1.00 42.42 H new ATOM 0 HG23 ILE A 35 42.738 -1.570 -19.783 1.00 42.42 H new ATOM 0 HD11 ILE A 35 39.137 -1.590 -20.327 1.00 64.53 H new ATOM 0 HD12 ILE A 35 40.797 -1.014 -20.047 1.00 64.53 H new ATOM 0 HD13 ILE A 35 40.470 -2.189 -21.342 1.00 64.53 H new TER 587 ILE A 35