USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=2 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0265) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.683 X(o=-0.68,f=-0.48) 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= -0.662 X(o=-0.66,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 5.218 -5.438 0.044 1.00 14.35 N ATOM 2 CA LYS A 1 5.333 -3.996 0.231 1.00 71.24 C ATOM 3 C LYS A 1 4.725 -3.245 -0.950 1.00 11.14 C ATOM 4 O LYS A 1 5.418 -2.514 -1.657 1.00 41.41 O ATOM 5 CB LYS A 1 6.801 -3.599 0.400 1.00 0.10 C ATOM 6 CG LYS A 1 6.993 -2.174 0.890 1.00 71.01 C ATOM 7 CD LYS A 1 8.457 -1.870 1.160 1.00 12.24 C ATOM 8 CE LYS A 1 8.818 -2.121 2.616 1.00 5.13 C ATOM 9 NZ LYS A 1 9.780 -1.107 3.132 1.00 73.11 N ATOM 0 H1 LYS A 1 5.638 -5.928 0.859 1.00 14.35 H new ATOM 0 H2 LYS A 1 4.214 -5.699 -0.037 1.00 14.35 H new ATOM 0 H3 LYS A 1 5.719 -5.717 -0.823 1.00 14.35 H new ATOM 0 HA LYS A 1 4.784 -3.726 1.133 1.00 71.24 H new ATOM 0 HB2 LYS A 1 7.275 -4.283 1.104 1.00 0.10 H new ATOM 0 HB3 LYS A 1 7.313 -3.718 -0.555 1.00 0.10 H new ATOM 0 HG2 LYS A 1 6.607 -1.477 0.146 1.00 71.01 H new ATOM 0 HG3 LYS A 1 6.414 -2.020 1.801 1.00 71.01 H new ATOM 0 HD2 LYS A 1 9.083 -2.489 0.517 1.00 12.24 H new ATOM 0 HD3 LYS A 1 8.667 -0.831 0.906 1.00 12.24 H new ATOM 0 HE2 LYS A 1 7.913 -2.104 3.223 1.00 5.13 H new ATOM 0 HE3 LYS A 1 9.251 -3.116 2.716 1.00 5.13 H new ATOM 0 HZ1 LYS A 1 10.001 -1.313 4.127 1.00 73.11 H new ATOM 0 HZ2 LYS A 1 10.654 -1.140 2.569 1.00 73.11 H new ATOM 0 HZ3 LYS A 1 9.357 -0.159 3.060 1.00 73.11 H new ATOM 23 N LYS A 2 3.425 -3.429 -1.156 1.00 3.42 N ATOM 24 CA LYS A 2 2.722 -2.766 -2.248 1.00 64.43 C ATOM 25 C LYS A 2 3.108 -3.377 -3.592 1.00 54.42 C ATOM 26 O LYS A 2 2.294 -4.034 -4.242 1.00 2.23 O ATOM 27 CB LYS A 2 3.034 -1.268 -2.248 1.00 73.15 C ATOM 28 CG LYS A 2 1.975 -0.427 -2.940 1.00 50.12 C ATOM 29 CD LYS A 2 2.104 1.042 -2.575 1.00 52.42 C ATOM 30 CE LYS A 2 0.756 1.646 -2.210 1.00 44.31 C ATOM 31 NZ LYS A 2 -0.207 1.578 -3.343 1.00 52.44 N ATOM 0 H LYS A 2 2.837 -4.032 -0.581 1.00 3.42 H new ATOM 0 HA LYS A 2 1.652 -2.907 -2.098 1.00 64.43 H new ATOM 0 HB2 LYS A 2 3.141 -0.927 -1.218 1.00 73.15 H new ATOM 0 HB3 LYS A 2 3.994 -1.105 -2.739 1.00 73.15 H new ATOM 0 HG2 LYS A 2 2.065 -0.544 -4.020 1.00 50.12 H new ATOM 0 HG3 LYS A 2 0.984 -0.786 -2.662 1.00 50.12 H new ATOM 0 HD2 LYS A 2 2.792 1.151 -1.736 1.00 52.42 H new ATOM 0 HD3 LYS A 2 2.534 1.590 -3.413 1.00 52.42 H new ATOM 0 HE2 LYS A 2 0.343 1.119 -1.350 1.00 44.31 H new ATOM 0 HE3 LYS A 2 0.893 2.685 -1.911 1.00 44.31 H new ATOM 0 HZ1 LYS A 2 -1.070 2.103 -3.097 1.00 52.44 H new ATOM 0 HZ2 LYS A 2 0.224 1.999 -4.191 1.00 52.44 H new ATOM 0 HZ3 LYS A 2 -0.449 0.585 -3.534 1.00 52.44 H new ATOM 45 N TRP A 3 4.351 -3.156 -4.002 1.00 4.12 N ATOM 46 CA TRP A 3 4.844 -3.686 -5.268 1.00 41.12 C ATOM 47 C TRP A 3 5.213 -5.159 -5.135 1.00 74.42 C ATOM 48 O TRP A 3 5.184 -5.907 -6.112 1.00 42.30 O ATOM 49 CB TRP A 3 6.058 -2.885 -5.742 1.00 53.33 C ATOM 50 CG TRP A 3 7.170 -2.841 -4.738 1.00 54.12 C ATOM 51 CD1 TRP A 3 8.067 -3.834 -4.465 1.00 14.32 C ATOM 52 CD2 TRP A 3 7.501 -1.749 -3.873 1.00 53.03 C ATOM 53 NE1 TRP A 3 8.935 -3.425 -3.482 1.00 4.21 N ATOM 54 CE2 TRP A 3 8.610 -2.149 -3.103 1.00 30.31 C ATOM 55 CE3 TRP A 3 6.970 -0.472 -3.676 1.00 54.40 C ATOM 56 CZ2 TRP A 3 9.194 -1.317 -2.152 1.00 23.54 C ATOM 57 CZ3 TRP A 3 7.550 0.353 -2.731 1.00 65.32 C ATOM 58 CH2 TRP A 3 8.654 -0.072 -1.979 1.00 72.22 C ATOM 0 H TRP A 3 5.036 -2.613 -3.476 1.00 4.12 H new ATOM 0 HA TRP A 3 4.047 -3.595 -6.006 1.00 41.12 H new ATOM 0 HB2 TRP A 3 6.432 -3.320 -6.669 1.00 53.33 H new ATOM 0 HB3 TRP A 3 5.745 -1.866 -5.972 1.00 53.33 H new ATOM 0 HD1 TRP A 3 8.090 -4.799 -4.950 1.00 14.32 H new ATOM 0 HE1 TRP A 3 9.698 -3.981 -3.097 1.00 4.21 H new ATOM 0 HE3 TRP A 3 6.121 -0.135 -4.252 1.00 54.40 H new ATOM 0 HZ2 TRP A 3 10.044 -1.643 -1.571 1.00 23.54 H new ATOM 0 HZ3 TRP A 3 7.146 1.341 -2.569 1.00 65.32 H new ATOM 0 HH2 TRP A 3 9.087 0.596 -1.249 1.00 72.22 H new ATOM 69 N GLY A 4 5.558 -5.571 -3.919 1.00 64.31 N ATOM 70 CA GLY A 4 5.927 -6.955 -3.682 1.00 5.44 C ATOM 71 C GLY A 4 4.873 -7.928 -4.169 1.00 52.02 C ATOM 72 O GLY A 4 5.194 -9.029 -4.617 1.00 44.53 O ATOM 0 H GLY A 4 5.589 -4.972 -3.094 1.00 64.31 H new ATOM 0 HA2 GLY A 4 6.872 -7.167 -4.183 1.00 5.44 H new ATOM 0 HA3 GLY A 4 6.091 -7.106 -2.615 1.00 5.44 H new ATOM 76 N TRP A 5 3.611 -7.523 -4.081 1.00 30.52 N ATOM 77 CA TRP A 5 2.505 -8.369 -4.515 1.00 61.44 C ATOM 78 C TRP A 5 2.401 -8.391 -6.036 1.00 41.53 C ATOM 79 O TRP A 5 2.018 -9.401 -6.628 1.00 42.44 O ATOM 80 CB TRP A 5 1.190 -7.877 -3.909 1.00 3.14 C ATOM 81 CG TRP A 5 -0.015 -8.589 -4.444 1.00 63.23 C ATOM 82 CD1 TRP A 5 -0.768 -8.227 -5.524 1.00 15.31 C ATOM 83 CD2 TRP A 5 -0.605 -9.785 -3.923 1.00 53.05 C ATOM 84 NE1 TRP A 5 -1.792 -9.125 -5.706 1.00 31.14 N ATOM 85 CE2 TRP A 5 -1.714 -10.091 -4.737 1.00 45.14 C ATOM 86 CE3 TRP A 5 -0.305 -10.628 -2.850 1.00 63.13 C ATOM 87 CZ2 TRP A 5 -2.520 -11.203 -4.509 1.00 40.31 C ATOM 88 CZ3 TRP A 5 -1.106 -11.731 -2.625 1.00 13.11 C ATOM 89 CH2 TRP A 5 -2.203 -12.011 -3.451 1.00 43.23 C ATOM 0 H TRP A 5 3.328 -6.615 -3.713 1.00 30.52 H new ATOM 0 HA TRP A 5 2.699 -9.384 -4.168 1.00 61.44 H new ATOM 0 HB2 TRP A 5 1.227 -8.004 -2.827 1.00 3.14 H new ATOM 0 HB3 TRP A 5 1.087 -6.809 -4.101 1.00 3.14 H new ATOM 0 HD1 TRP A 5 -0.586 -7.362 -6.144 1.00 15.31 H new ATOM 0 HE1 TRP A 5 -2.496 -9.080 -6.443 1.00 31.14 H new ATOM 0 HE3 TRP A 5 0.538 -10.421 -2.208 1.00 63.13 H new ATOM 0 HZ2 TRP A 5 -3.366 -11.420 -5.145 1.00 40.31 H new ATOM 0 HZ3 TRP A 5 -0.883 -12.389 -1.798 1.00 13.11 H new ATOM 0 HH2 TRP A 5 -2.810 -12.881 -3.249 1.00 43.23 H new ATOM 100 N LEU A 6 2.744 -7.271 -6.664 1.00 71.10 N ATOM 101 CA LEU A 6 2.689 -7.162 -8.118 1.00 2.53 C ATOM 102 C LEU A 6 3.785 -7.999 -8.769 1.00 4.05 C ATOM 103 O LEU A 6 3.657 -8.423 -9.917 1.00 3.42 O ATOM 104 CB LEU A 6 2.828 -5.699 -8.544 1.00 72.02 C ATOM 105 CG LEU A 6 1.543 -4.871 -8.529 1.00 14.30 C ATOM 106 CD1 LEU A 6 1.854 -3.408 -8.253 1.00 15.13 C ATOM 107 CD2 LEU A 6 0.797 -5.020 -9.847 1.00 15.41 C ATOM 0 H LEU A 6 3.063 -6.426 -6.189 1.00 71.10 H new ATOM 0 HA LEU A 6 1.723 -7.541 -8.450 1.00 2.53 H new ATOM 0 HB2 LEU A 6 3.554 -5.218 -7.889 1.00 72.02 H new ATOM 0 HB3 LEU A 6 3.242 -5.673 -9.552 1.00 72.02 H new ATOM 0 HG LEU A 6 0.903 -5.243 -7.728 1.00 14.30 H new ATOM 0 HD11 LEU A 6 0.927 -2.834 -8.246 1.00 15.13 H new ATOM 0 HD12 LEU A 6 2.345 -3.317 -7.284 1.00 15.13 H new ATOM 0 HD13 LEU A 6 2.513 -3.023 -9.031 1.00 15.13 H new ATOM 0 HD21 LEU A 6 -0.115 -4.424 -9.818 1.00 15.41 H new ATOM 0 HD22 LEU A 6 1.430 -4.675 -10.664 1.00 15.41 H new ATOM 0 HD23 LEU A 6 0.541 -6.068 -10.004 1.00 15.41 H new ATOM 119 N ALA A 7 4.862 -8.235 -8.026 1.00 31.31 N ATOM 120 CA ALA A 7 5.978 -9.026 -8.529 1.00 45.20 C ATOM 121 C ALA A 7 5.598 -10.498 -8.651 1.00 43.50 C ATOM 122 O ALA A 7 6.235 -11.254 -9.384 1.00 41.13 O ATOM 123 CB ALA A 7 7.190 -8.865 -7.622 1.00 52.04 C ATOM 0 H ALA A 7 4.985 -7.890 -7.074 1.00 31.31 H new ATOM 0 HA ALA A 7 6.231 -8.660 -9.524 1.00 45.20 H new ATOM 0 HB1 ALA A 7 8.016 -9.461 -8.009 1.00 52.04 H new ATOM 0 HB2 ALA A 7 7.484 -7.816 -7.590 1.00 52.04 H new ATOM 0 HB3 ALA A 7 6.939 -9.203 -6.616 1.00 52.04 H new ATOM 129 N TRP A 8 4.558 -10.897 -7.928 1.00 42.42 N ATOM 130 CA TRP A 8 4.094 -12.279 -7.955 1.00 61.14 C ATOM 131 C TRP A 8 2.977 -12.458 -8.977 1.00 71.24 C ATOM 132 O TRP A 8 2.607 -13.582 -9.316 1.00 72.34 O ATOM 133 CB TRP A 8 3.607 -12.702 -6.569 1.00 35.41 C ATOM 134 CG TRP A 8 4.719 -12.922 -5.589 1.00 64.13 C ATOM 135 CD1 TRP A 8 5.958 -12.346 -5.613 1.00 34.40 C ATOM 136 CD2 TRP A 8 4.695 -13.780 -4.443 1.00 44.12 C ATOM 137 NE1 TRP A 8 6.705 -12.795 -4.550 1.00 52.35 N ATOM 138 CE2 TRP A 8 5.953 -13.674 -3.817 1.00 70.23 C ATOM 139 CE3 TRP A 8 3.734 -14.625 -3.884 1.00 34.15 C ATOM 140 CZ2 TRP A 8 6.271 -14.383 -2.662 1.00 60.11 C ATOM 141 CZ3 TRP A 8 4.051 -15.328 -2.737 1.00 71.31 C ATOM 142 CH2 TRP A 8 5.310 -15.203 -2.136 1.00 24.42 C ATOM 0 H TRP A 8 4.020 -10.283 -7.316 1.00 42.42 H new ATOM 0 HA TRP A 8 4.932 -12.912 -8.246 1.00 61.14 H new ATOM 0 HB2 TRP A 8 2.935 -11.937 -6.179 1.00 35.41 H new ATOM 0 HB3 TRP A 8 3.026 -13.620 -6.661 1.00 35.41 H new ATOM 0 HD1 TRP A 8 6.300 -11.642 -6.357 1.00 34.40 H new ATOM 0 HE1 TRP A 8 7.664 -12.518 -4.341 1.00 52.35 H new ATOM 0 HE3 TRP A 8 2.760 -14.727 -4.340 1.00 34.15 H new ATOM 0 HZ2 TRP A 8 7.242 -14.289 -2.198 1.00 60.11 H new ATOM 0 HZ3 TRP A 8 3.315 -15.985 -2.297 1.00 71.31 H new ATOM 0 HH2 TRP A 8 5.527 -15.765 -1.240 1.00 24.42 H new ATOM 153 N VAL A 9 2.443 -11.343 -9.466 1.00 32.23 N ATOM 154 CA VAL A 9 1.368 -11.378 -10.450 1.00 43.35 C ATOM 155 C VAL A 9 1.858 -11.943 -11.779 1.00 22.12 C ATOM 156 O VAL A 9 1.196 -12.781 -12.390 1.00 71.55 O ATOM 157 CB VAL A 9 0.780 -9.974 -10.688 1.00 75.42 C ATOM 158 CG1 VAL A 9 -0.282 -10.018 -11.777 1.00 11.03 C ATOM 159 CG2 VAL A 9 0.207 -9.411 -9.396 1.00 64.21 C ATOM 0 H VAL A 9 2.738 -10.404 -9.197 1.00 32.23 H new ATOM 0 HA VAL A 9 0.590 -12.027 -10.047 1.00 43.35 H new ATOM 0 HB VAL A 9 1.581 -9.315 -11.021 1.00 75.42 H new ATOM 0 HG11 VAL A 9 -0.686 -9.018 -11.932 1.00 11.03 H new ATOM 0 HG12 VAL A 9 0.163 -10.377 -12.705 1.00 11.03 H new ATOM 0 HG13 VAL A 9 -1.085 -10.691 -11.476 1.00 11.03 H new ATOM 0 HG21 VAL A 9 -0.204 -8.419 -9.582 1.00 64.21 H new ATOM 0 HG22 VAL A 9 -0.582 -10.068 -9.031 1.00 64.21 H new ATOM 0 HG23 VAL A 9 0.996 -9.342 -8.648 1.00 64.21 H new ATOM 169 N ASP A 10 3.022 -11.479 -12.219 1.00 64.14 N ATOM 170 CA ASP A 10 3.603 -11.940 -13.475 1.00 50.44 C ATOM 171 C ASP A 10 5.009 -11.378 -13.662 1.00 51.34 C ATOM 172 O ASP A 10 5.250 -10.507 -14.499 1.00 33.01 O ATOM 173 CB ASP A 10 2.716 -11.530 -14.652 1.00 60.33 C ATOM 174 CG ASP A 10 2.849 -12.472 -15.833 1.00 23.33 C ATOM 175 OD1 ASP A 10 3.823 -13.254 -15.861 1.00 70.23 O ATOM 176 OD2 ASP A 10 1.980 -12.428 -16.728 1.00 34.35 O ATOM 0 H ASP A 10 3.582 -10.784 -11.725 1.00 64.14 H new ATOM 0 HA ASP A 10 3.668 -13.028 -13.440 1.00 50.44 H new ATOM 0 HB2 ASP A 10 1.676 -11.504 -14.327 1.00 60.33 H new ATOM 0 HB3 ASP A 10 2.978 -10.519 -14.966 1.00 60.33 H new ATOM 181 N PRO A 11 5.960 -11.885 -12.865 1.00 23.41 N ATOM 182 CA PRO A 11 7.358 -11.448 -12.923 1.00 64.43 C ATOM 183 C PRO A 11 8.054 -11.899 -14.204 1.00 15.15 C ATOM 184 O PRO A 11 8.932 -11.209 -14.720 1.00 1.14 O ATOM 185 CB PRO A 11 7.992 -12.124 -11.705 1.00 3.34 C ATOM 186 CG PRO A 11 7.141 -13.319 -11.448 1.00 53.11 C ATOM 187 CD PRO A 11 5.745 -12.926 -11.845 1.00 53.51 C ATOM 0 HA PRO A 11 7.446 -10.362 -12.919 1.00 64.43 H new ATOM 0 HB2 PRO A 11 9.025 -12.409 -11.904 1.00 3.34 H new ATOM 0 HB3 PRO A 11 8.006 -11.456 -10.844 1.00 3.34 H new ATOM 0 HG2 PRO A 11 7.485 -14.175 -12.028 1.00 53.11 H new ATOM 0 HG3 PRO A 11 7.181 -13.608 -10.398 1.00 53.11 H new ATOM 0 HD2 PRO A 11 5.188 -13.773 -12.246 1.00 53.51 H new ATOM 0 HD3 PRO A 11 5.178 -12.545 -10.996 1.00 53.51 H new ATOM 195 N ALA A 12 7.654 -13.060 -14.711 1.00 71.22 N ATOM 196 CA ALA A 12 8.237 -13.601 -15.933 1.00 21.13 C ATOM 197 C ALA A 12 7.980 -12.678 -17.119 1.00 61.31 C ATOM 198 O ALA A 12 8.880 -12.410 -17.915 1.00 50.44 O ATOM 199 CB ALA A 12 7.683 -14.990 -16.212 1.00 74.21 C ATOM 0 H ALA A 12 6.929 -13.644 -14.295 1.00 71.22 H new ATOM 0 HA ALA A 12 9.315 -13.674 -15.791 1.00 21.13 H new ATOM 0 HB1 ALA A 12 8.127 -15.382 -17.127 1.00 74.21 H new ATOM 0 HB2 ALA A 12 7.924 -15.652 -15.380 1.00 74.21 H new ATOM 0 HB3 ALA A 12 6.601 -14.933 -16.329 1.00 74.21 H new ATOM 205 N TYR A 13 6.747 -12.197 -17.232 1.00 3.44 N ATOM 206 CA TYR A 13 6.371 -11.306 -18.323 1.00 63.23 C ATOM 207 C TYR A 13 7.343 -10.134 -18.430 1.00 34.44 C ATOM 208 O TYR A 13 8.049 -9.989 -19.426 1.00 65.43 O ATOM 209 CB TYR A 13 4.948 -10.786 -18.118 1.00 13.14 C ATOM 210 CG TYR A 13 4.231 -10.457 -19.408 1.00 0.13 C ATOM 211 CD1 TYR A 13 4.798 -9.597 -20.340 1.00 51.41 C ATOM 212 CD2 TYR A 13 2.987 -11.005 -19.694 1.00 30.11 C ATOM 213 CE1 TYR A 13 4.147 -9.292 -21.520 1.00 34.41 C ATOM 214 CE2 TYR A 13 2.329 -10.708 -20.872 1.00 1.24 C ATOM 215 CZ TYR A 13 2.913 -9.851 -21.781 1.00 52.13 C ATOM 216 OH TYR A 13 2.260 -9.551 -22.955 1.00 61.00 O ATOM 0 H TYR A 13 5.991 -12.409 -16.581 1.00 3.44 H new ATOM 0 HA TYR A 13 6.412 -11.874 -19.252 1.00 63.23 H new ATOM 0 HB2 TYR A 13 4.372 -11.534 -17.573 1.00 13.14 H new ATOM 0 HB3 TYR A 13 4.983 -9.893 -17.494 1.00 13.14 H new ATOM 0 HD1 TYR A 13 5.765 -9.159 -20.139 1.00 51.41 H new ATOM 0 HD2 TYR A 13 2.526 -11.675 -18.983 1.00 30.11 H new ATOM 0 HE1 TYR A 13 4.601 -8.620 -22.233 1.00 34.41 H new ATOM 0 HE2 TYR A 13 1.363 -11.144 -21.080 1.00 1.24 H new ATOM 0 HH TYR A 13 1.404 -10.027 -22.984 1.00 61.00 H new ATOM 226 N GLU A 14 7.371 -9.302 -17.394 1.00 12.32 N ATOM 227 CA GLU A 14 8.255 -8.142 -17.370 1.00 71.34 C ATOM 228 C GLU A 14 9.714 -8.568 -17.506 1.00 60.05 C ATOM 229 O GLU A 14 10.531 -7.850 -18.084 1.00 75.01 O ATOM 230 CB GLU A 14 8.062 -7.352 -16.075 1.00 14.33 C ATOM 231 CG GLU A 14 8.163 -8.204 -14.821 1.00 2.22 C ATOM 232 CD GLU A 14 8.255 -7.372 -13.556 1.00 61.22 C ATOM 233 OE1 GLU A 14 8.827 -6.264 -13.616 1.00 41.53 O ATOM 234 OE2 GLU A 14 7.756 -7.830 -12.507 1.00 51.51 O ATOM 0 H GLU A 14 6.792 -9.409 -16.561 1.00 12.32 H new ATOM 0 HA GLU A 14 7.999 -7.505 -18.217 1.00 71.34 H new ATOM 0 HB2 GLU A 14 8.810 -6.560 -16.027 1.00 14.33 H new ATOM 0 HB3 GLU A 14 7.086 -6.867 -16.097 1.00 14.33 H new ATOM 0 HG2 GLU A 14 7.293 -8.857 -14.759 1.00 2.22 H new ATOM 0 HG3 GLU A 14 9.040 -8.847 -14.893 1.00 2.22 H new ATOM 241 N PHE A 15 10.035 -9.741 -16.970 1.00 14.43 N ATOM 242 CA PHE A 15 11.395 -10.262 -17.029 1.00 60.31 C ATOM 243 C PHE A 15 11.813 -10.528 -18.472 1.00 71.44 C ATOM 244 O PHE A 15 12.973 -10.337 -18.839 1.00 73.11 O ATOM 245 CB PHE A 15 11.507 -11.549 -16.208 1.00 51.25 C ATOM 246 CG PHE A 15 12.905 -12.092 -16.132 1.00 43.35 C ATOM 247 CD1 PHE A 15 13.397 -12.918 -17.130 1.00 71.02 C ATOM 248 CD2 PHE A 15 13.728 -11.775 -15.064 1.00 23.42 C ATOM 249 CE1 PHE A 15 14.683 -13.419 -17.062 1.00 70.52 C ATOM 250 CE2 PHE A 15 15.016 -12.274 -14.991 1.00 14.45 C ATOM 251 CZ PHE A 15 15.494 -13.096 -15.992 1.00 13.12 C ATOM 0 H PHE A 15 9.371 -10.349 -16.490 1.00 14.43 H new ATOM 0 HA PHE A 15 12.064 -9.511 -16.608 1.00 60.31 H new ATOM 0 HB2 PHE A 15 11.144 -11.359 -15.198 1.00 51.25 H new ATOM 0 HB3 PHE A 15 10.855 -12.306 -16.643 1.00 51.25 H new ATOM 0 HD1 PHE A 15 12.768 -13.173 -17.970 1.00 71.02 H new ATOM 0 HD2 PHE A 15 13.360 -11.131 -14.279 1.00 23.42 H new ATOM 0 HE1 PHE A 15 15.054 -14.063 -17.846 1.00 70.52 H new ATOM 0 HE2 PHE A 15 15.647 -12.021 -14.152 1.00 14.45 H new ATOM 0 HZ PHE A 15 16.500 -13.486 -15.938 1.00 13.12 H new ATOM 261 N ILE A 16 10.860 -10.971 -19.286 1.00 21.13 N ATOM 262 CA ILE A 16 11.128 -11.263 -20.688 1.00 65.13 C ATOM 263 C ILE A 16 11.346 -9.981 -21.485 1.00 24.12 C ATOM 264 O ILE A 16 12.208 -9.921 -22.362 1.00 41.41 O ATOM 265 CB ILE A 16 9.977 -12.062 -21.327 1.00 41.25 C ATOM 266 CG1 ILE A 16 9.759 -13.376 -20.574 1.00 43.33 C ATOM 267 CG2 ILE A 16 10.269 -12.329 -22.796 1.00 64.14 C ATOM 268 CD1 ILE A 16 8.302 -13.749 -20.419 1.00 54.14 C ATOM 0 H ILE A 16 9.895 -11.135 -18.998 1.00 21.13 H new ATOM 0 HA ILE A 16 12.036 -11.865 -20.717 1.00 65.13 H new ATOM 0 HB ILE A 16 9.064 -11.471 -21.260 1.00 41.25 H new ATOM 0 HG12 ILE A 16 10.277 -14.177 -21.101 1.00 43.33 H new ATOM 0 HG13 ILE A 16 10.213 -13.299 -19.586 1.00 43.33 H new ATOM 0 HG21 ILE A 16 9.446 -12.895 -23.234 1.00 64.14 H new ATOM 0 HG22 ILE A 16 10.379 -11.381 -23.323 1.00 64.14 H new ATOM 0 HG23 ILE A 16 11.192 -12.903 -22.885 1.00 64.14 H new ATOM 0 HD11 ILE A 16 8.223 -14.691 -19.876 1.00 54.14 H new ATOM 0 HD12 ILE A 16 7.783 -12.967 -19.865 1.00 54.14 H new ATOM 0 HD13 ILE A 16 7.848 -13.859 -21.404 1.00 54.14 H new ATOM 280 N LYS A 17 10.561 -8.956 -21.172 1.00 74.23 N ATOM 281 CA LYS A 17 10.668 -7.673 -21.856 1.00 3.34 C ATOM 282 C LYS A 17 11.886 -6.896 -21.366 1.00 24.11 C ATOM 283 O LYS A 17 12.434 -6.063 -22.087 1.00 25.24 O ATOM 284 CB LYS A 17 9.400 -6.846 -21.634 1.00 11.41 C ATOM 285 CG LYS A 17 8.124 -7.669 -21.666 1.00 12.31 C ATOM 286 CD LYS A 17 6.929 -6.828 -22.084 1.00 33.52 C ATOM 287 CE LYS A 17 6.594 -7.028 -23.554 1.00 41.21 C ATOM 288 NZ LYS A 17 7.143 -5.933 -24.401 1.00 61.13 N ATOM 0 H LYS A 17 9.843 -8.989 -20.448 1.00 74.23 H new ATOM 0 HA LYS A 17 10.786 -7.866 -22.922 1.00 3.34 H new ATOM 0 HB2 LYS A 17 9.471 -6.339 -20.672 1.00 11.41 H new ATOM 0 HB3 LYS A 17 9.342 -6.072 -22.399 1.00 11.41 H new ATOM 0 HG2 LYS A 17 8.244 -8.502 -22.359 1.00 12.31 H new ATOM 0 HG3 LYS A 17 7.942 -8.098 -20.681 1.00 12.31 H new ATOM 0 HD2 LYS A 17 6.065 -7.092 -21.474 1.00 33.52 H new ATOM 0 HD3 LYS A 17 7.141 -5.775 -21.898 1.00 33.52 H new ATOM 0 HE2 LYS A 17 6.995 -7.984 -23.891 1.00 41.21 H new ATOM 0 HE3 LYS A 17 5.512 -7.075 -23.677 1.00 41.21 H new ATOM 0 HZ1 LYS A 17 6.894 -6.105 -25.396 1.00 61.13 H new ATOM 0 HZ2 LYS A 17 6.741 -5.023 -24.096 1.00 61.13 H new ATOM 0 HZ3 LYS A 17 8.178 -5.904 -24.304 1.00 61.13 H new ATOM 302 N GLY A 18 12.306 -7.176 -20.136 1.00 10.04 N ATOM 303 CA GLY A 18 13.457 -6.496 -19.572 1.00 3.12 C ATOM 304 C GLY A 18 14.673 -6.570 -20.474 1.00 4.32 C ATOM 305 O GLY A 18 15.469 -5.632 -20.533 1.00 24.32 O ATOM 0 H GLY A 18 11.869 -7.862 -19.520 1.00 10.04 H new ATOM 0 HA2 GLY A 18 13.205 -5.451 -19.391 1.00 3.12 H new ATOM 0 HA3 GLY A 18 13.698 -6.937 -18.605 1.00 3.12 H new ATOM 309 N PHE A 19 14.819 -7.688 -21.177 1.00 42.44 N ATOM 310 CA PHE A 19 15.949 -7.882 -22.079 1.00 12.40 C ATOM 311 C PHE A 19 15.800 -9.181 -22.865 1.00 25.00 C ATOM 312 O PHE A 19 15.114 -10.106 -22.433 1.00 13.21 O ATOM 313 CB PHE A 19 17.261 -7.896 -21.291 1.00 54.44 C ATOM 314 CG PHE A 19 17.466 -9.150 -20.491 1.00 71.02 C ATOM 315 CD1 PHE A 19 16.978 -9.250 -19.198 1.00 71.43 C ATOM 316 CD2 PHE A 19 18.146 -10.229 -21.032 1.00 44.10 C ATOM 317 CE1 PHE A 19 17.166 -10.403 -18.460 1.00 22.23 C ATOM 318 CE2 PHE A 19 18.337 -11.385 -20.298 1.00 45.33 C ATOM 319 CZ PHE A 19 17.846 -11.472 -19.011 1.00 33.13 C ATOM 0 H PHE A 19 14.169 -8.473 -21.140 1.00 42.44 H new ATOM 0 HA PHE A 19 15.966 -7.051 -22.784 1.00 12.40 H new ATOM 0 HB2 PHE A 19 18.093 -7.777 -21.985 1.00 54.44 H new ATOM 0 HB3 PHE A 19 17.281 -7.038 -20.619 1.00 54.44 H new ATOM 0 HD1 PHE A 19 16.445 -8.418 -18.762 1.00 71.43 H new ATOM 0 HD2 PHE A 19 18.531 -10.166 -22.039 1.00 44.10 H new ATOM 0 HE1 PHE A 19 16.782 -10.468 -17.453 1.00 22.23 H new ATOM 0 HE2 PHE A 19 18.870 -12.219 -20.731 1.00 45.33 H new ATOM 0 HZ PHE A 19 17.993 -12.374 -18.436 1.00 33.13 H new ATOM 329 N GLY A 20 16.450 -9.242 -24.024 1.00 20.54 N ATOM 330 CA GLY A 20 16.378 -10.431 -24.852 1.00 74.55 C ATOM 331 C GLY A 20 15.401 -10.279 -26.001 1.00 54.43 C ATOM 332 O GLY A 20 14.537 -11.131 -26.210 1.00 62.10 O ATOM 0 H GLY A 20 17.025 -8.489 -24.403 1.00 20.54 H new ATOM 0 HA2 GLY A 20 17.368 -10.654 -25.248 1.00 74.55 H new ATOM 0 HA3 GLY A 20 16.082 -11.281 -24.237 1.00 74.55 H new ATOM 336 N LYS A 21 15.535 -9.188 -26.749 1.00 33.32 N ATOM 337 CA LYS A 21 14.657 -8.925 -27.883 1.00 1.11 C ATOM 338 C LYS A 21 15.076 -7.651 -28.611 1.00 32.43 C ATOM 339 O LYS A 21 14.975 -7.562 -29.833 1.00 52.15 O ATOM 340 CB LYS A 21 13.206 -8.803 -27.413 1.00 54.24 C ATOM 341 CG LYS A 21 13.002 -7.754 -26.334 1.00 13.01 C ATOM 342 CD LYS A 21 12.657 -6.400 -26.930 1.00 43.43 C ATOM 343 CE LYS A 21 11.261 -5.951 -26.526 1.00 62.31 C ATOM 344 NZ LYS A 21 10.968 -4.566 -26.987 1.00 42.02 N ATOM 0 H LYS A 21 16.244 -8.472 -26.590 1.00 33.32 H new ATOM 0 HA LYS A 21 14.739 -9.762 -28.576 1.00 1.11 H new ATOM 0 HB2 LYS A 21 12.575 -8.560 -28.268 1.00 54.24 H new ATOM 0 HB3 LYS A 21 12.873 -9.770 -27.036 1.00 54.24 H new ATOM 0 HG2 LYS A 21 12.203 -8.071 -25.663 1.00 13.01 H new ATOM 0 HG3 LYS A 21 13.907 -7.668 -25.733 1.00 13.01 H new ATOM 0 HD2 LYS A 21 13.387 -5.660 -26.602 1.00 43.43 H new ATOM 0 HD3 LYS A 21 12.723 -6.452 -28.017 1.00 43.43 H new ATOM 0 HE2 LYS A 21 10.524 -6.636 -26.944 1.00 62.31 H new ATOM 0 HE3 LYS A 21 11.163 -6.001 -25.442 1.00 62.31 H new ATOM 0 HZ1 LYS A 21 10.008 -4.298 -26.692 1.00 42.02 H new ATOM 0 HZ2 LYS A 21 11.656 -3.908 -26.568 1.00 42.02 H new ATOM 0 HZ3 LYS A 21 11.036 -4.524 -28.024 1.00 42.02 H new ATOM 358 N GLY A 22 15.548 -6.668 -27.850 1.00 32.20 N ATOM 359 CA GLY A 22 15.976 -5.414 -28.441 1.00 1.34 C ATOM 360 C GLY A 22 16.547 -4.455 -27.415 1.00 15.34 C ATOM 361 O GLY A 22 17.457 -3.683 -27.715 1.00 70.30 O ATOM 0 H GLY A 22 15.641 -6.718 -26.836 1.00 32.20 H new ATOM 0 HA2 GLY A 22 16.727 -5.614 -29.205 1.00 1.34 H new ATOM 0 HA3 GLY A 22 15.129 -4.944 -28.942 1.00 1.34 H new ATOM 365 N ALA A 23 16.009 -4.502 -26.200 1.00 41.40 N ATOM 366 CA ALA A 23 16.471 -3.631 -25.126 1.00 54.43 C ATOM 367 C ALA A 23 17.976 -3.763 -24.920 1.00 73.15 C ATOM 368 O ALA A 23 18.725 -2.805 -25.114 1.00 73.11 O ATOM 369 CB ALA A 23 15.730 -3.946 -23.835 1.00 74.14 C ATOM 0 H ALA A 23 15.253 -5.134 -25.935 1.00 41.40 H new ATOM 0 HA ALA A 23 16.259 -2.601 -25.412 1.00 54.43 H new ATOM 0 HB1 ALA A 23 16.085 -3.288 -23.042 1.00 74.14 H new ATOM 0 HB2 ALA A 23 14.661 -3.792 -23.982 1.00 74.14 H new ATOM 0 HB3 ALA A 23 15.912 -4.983 -23.555 1.00 74.14 H new ATOM 375 N ILE A 24 18.412 -4.955 -24.527 1.00 14.13 N ATOM 376 CA ILE A 24 19.828 -5.212 -24.295 1.00 53.42 C ATOM 377 C ILE A 24 20.583 -5.353 -25.612 1.00 62.03 C ATOM 378 O ILE A 24 21.769 -5.034 -25.698 1.00 63.30 O ATOM 379 CB ILE A 24 20.039 -6.485 -23.456 1.00 20.42 C ATOM 380 CG1 ILE A 24 21.497 -6.589 -23.004 1.00 2.52 C ATOM 381 CG2 ILE A 24 19.637 -7.718 -24.253 1.00 4.43 C ATOM 382 CD1 ILE A 24 21.896 -5.528 -22.002 1.00 14.23 C ATOM 0 H ILE A 24 17.805 -5.758 -24.363 1.00 14.13 H new ATOM 0 HA ILE A 24 20.219 -4.356 -23.745 1.00 53.42 H new ATOM 0 HB ILE A 24 19.407 -6.427 -22.570 1.00 20.42 H new ATOM 0 HG12 ILE A 24 21.664 -7.573 -22.565 1.00 2.52 H new ATOM 0 HG13 ILE A 24 22.146 -6.515 -23.877 1.00 2.52 H new ATOM 0 HG21 ILE A 24 19.792 -8.610 -23.646 1.00 4.43 H new ATOM 0 HG22 ILE A 24 18.585 -7.646 -24.529 1.00 4.43 H new ATOM 0 HG23 ILE A 24 20.246 -7.783 -25.155 1.00 4.43 H new ATOM 0 HD11 ILE A 24 22.942 -5.663 -21.726 1.00 14.23 H new ATOM 0 HD12 ILE A 24 21.762 -4.541 -22.444 1.00 14.23 H new ATOM 0 HD13 ILE A 24 21.272 -5.615 -21.112 1.00 14.23 H new ATOM 394 N LYS A 25 19.888 -5.832 -26.638 1.00 52.44 N ATOM 395 CA LYS A 25 20.491 -6.013 -27.954 1.00 15.14 C ATOM 396 C LYS A 25 20.970 -4.681 -28.521 1.00 2.54 C ATOM 397 O LYS A 25 22.117 -4.555 -28.948 1.00 62.22 O ATOM 398 CB LYS A 25 19.487 -6.656 -28.913 1.00 54.22 C ATOM 399 CG LYS A 25 19.829 -8.089 -29.281 1.00 70.12 C ATOM 400 CD LYS A 25 19.330 -8.442 -30.672 1.00 74.21 C ATOM 401 CE LYS A 25 17.830 -8.696 -30.678 1.00 70.41 C ATOM 402 NZ LYS A 25 17.483 -9.949 -31.405 1.00 33.15 N ATOM 0 H LYS A 25 18.906 -6.102 -26.584 1.00 52.44 H new ATOM 0 HA LYS A 25 21.353 -6.672 -27.844 1.00 15.14 H new ATOM 0 HB2 LYS A 25 18.497 -6.633 -28.458 1.00 54.22 H new ATOM 0 HB3 LYS A 25 19.433 -6.059 -29.823 1.00 54.22 H new ATOM 0 HG2 LYS A 25 20.909 -8.230 -29.234 1.00 70.12 H new ATOM 0 HG3 LYS A 25 19.387 -8.768 -28.552 1.00 70.12 H new ATOM 0 HD2 LYS A 25 19.566 -7.631 -31.361 1.00 74.21 H new ATOM 0 HD3 LYS A 25 19.852 -9.328 -31.033 1.00 74.21 H new ATOM 0 HE2 LYS A 25 17.468 -8.759 -29.652 1.00 70.41 H new ATOM 0 HE3 LYS A 25 17.321 -7.853 -31.144 1.00 70.41 H new ATOM 0 HZ1 LYS A 25 16.452 -10.087 -31.387 1.00 33.15 H new ATOM 0 HZ2 LYS A 25 17.806 -9.879 -32.391 1.00 33.15 H new ATOM 0 HZ3 LYS A 25 17.948 -10.757 -30.945 1.00 33.15 H new ATOM 416 N GLU A 26 20.085 -3.689 -28.519 1.00 50.32 N ATOM 417 CA GLU A 26 20.420 -2.366 -29.033 1.00 40.03 C ATOM 418 C GLU A 26 21.293 -1.602 -28.042 1.00 64.21 C ATOM 419 O GLU A 26 21.767 -0.505 -28.333 1.00 0.43 O ATOM 420 CB GLU A 26 19.146 -1.570 -29.326 1.00 22.41 C ATOM 421 CG GLU A 26 18.485 -1.001 -28.082 1.00 32.21 C ATOM 422 CD GLU A 26 18.919 0.422 -27.790 1.00 13.11 C ATOM 423 OE1 GLU A 26 19.071 1.205 -28.750 1.00 52.53 O ATOM 424 OE2 GLU A 26 19.106 0.752 -26.600 1.00 52.30 O ATOM 0 H GLU A 26 19.131 -3.776 -28.168 1.00 50.32 H new ATOM 0 HA GLU A 26 20.980 -2.496 -29.959 1.00 40.03 H new ATOM 0 HB2 GLU A 26 19.387 -0.753 -30.006 1.00 22.41 H new ATOM 0 HB3 GLU A 26 18.435 -2.215 -29.842 1.00 22.41 H new ATOM 0 HG2 GLU A 26 17.402 -1.029 -28.205 1.00 32.21 H new ATOM 0 HG3 GLU A 26 18.724 -1.633 -27.227 1.00 32.21 H new ATOM 431 N GLY A 27 21.502 -2.192 -26.869 1.00 34.13 N ATOM 432 CA GLY A 27 22.317 -1.554 -25.852 1.00 15.43 C ATOM 433 C GLY A 27 23.756 -2.028 -25.880 1.00 31.00 C ATOM 434 O GLY A 27 24.683 -1.221 -25.841 1.00 43.31 O ATOM 0 H GLY A 27 21.121 -3.101 -26.605 1.00 34.13 H new ATOM 0 HA2 GLY A 27 22.291 -0.474 -25.995 1.00 15.43 H new ATOM 0 HA3 GLY A 27 21.890 -1.756 -24.870 1.00 15.43 H new ATOM 438 N ASN A 28 23.943 -3.342 -25.946 1.00 60.21 N ATOM 439 CA ASN A 28 25.280 -3.923 -25.977 1.00 24.20 C ATOM 440 C ASN A 28 25.948 -3.679 -27.327 1.00 23.52 C ATOM 441 O ASN A 28 27.163 -3.493 -27.407 1.00 32.42 O ATOM 442 CB ASN A 28 25.213 -5.425 -25.692 1.00 62.14 C ATOM 443 CG ASN A 28 24.936 -6.238 -26.942 1.00 20.51 C ATOM 444 OD1 ASN A 28 25.820 -6.919 -27.462 1.00 23.33 O ATOM 445 ND2 ASN A 28 23.703 -6.171 -27.430 1.00 50.22 N ATOM 0 H ASN A 28 23.186 -4.024 -25.979 1.00 60.21 H new ATOM 0 HA ASN A 28 25.877 -3.440 -25.204 1.00 24.20 H new ATOM 0 HB2 ASN A 28 26.155 -5.751 -25.251 1.00 62.14 H new ATOM 0 HB3 ASN A 28 24.433 -5.618 -24.956 1.00 62.14 H new ATOM 0 HD21 ASN A 28 23.457 -6.697 -28.269 1.00 50.22 H new ATOM 0 HD22 ASN A 28 23.002 -5.594 -26.966 1.00 50.22 H new ATOM 452 N LYS A 29 25.147 -3.681 -28.386 1.00 74.33 N ATOM 453 CA LYS A 29 25.658 -3.459 -29.734 1.00 13.44 C ATOM 454 C LYS A 29 25.944 -1.979 -29.969 1.00 54.05 C ATOM 455 O LYS A 29 26.783 -1.623 -30.797 1.00 74.43 O ATOM 456 CB LYS A 29 24.655 -3.967 -30.772 1.00 63.11 C ATOM 457 CG LYS A 29 23.473 -3.037 -30.983 1.00 2.11 C ATOM 458 CD LYS A 29 22.368 -3.711 -31.778 1.00 33.31 C ATOM 459 CE LYS A 29 21.789 -2.778 -32.830 1.00 52.01 C ATOM 460 NZ LYS A 29 22.624 -2.745 -34.063 1.00 20.54 N ATOM 0 H LYS A 29 24.140 -3.834 -28.337 1.00 74.33 H new ATOM 0 HA LYS A 29 26.591 -4.013 -29.839 1.00 13.44 H new ATOM 0 HB2 LYS A 29 25.169 -4.108 -31.723 1.00 63.11 H new ATOM 0 HB3 LYS A 29 24.286 -4.944 -30.460 1.00 63.11 H new ATOM 0 HG2 LYS A 29 23.084 -2.717 -30.016 1.00 2.11 H new ATOM 0 HG3 LYS A 29 23.804 -2.140 -31.506 1.00 2.11 H new ATOM 0 HD2 LYS A 29 22.760 -4.606 -32.260 1.00 33.31 H new ATOM 0 HD3 LYS A 29 21.577 -4.034 -31.101 1.00 33.31 H new ATOM 0 HE2 LYS A 29 20.779 -3.100 -33.084 1.00 52.01 H new ATOM 0 HE3 LYS A 29 21.709 -1.772 -32.419 1.00 52.01 H new ATOM 0 HZ1 LYS A 29 22.196 -2.098 -34.755 1.00 20.54 H new ATOM 0 HZ2 LYS A 29 23.581 -2.414 -33.826 1.00 20.54 H new ATOM 0 HZ3 LYS A 29 22.679 -3.700 -34.470 1.00 20.54 H new ATOM 474 N ASP A 30 25.242 -1.122 -29.236 1.00 43.52 N ATOM 475 CA ASP A 30 25.423 0.320 -29.364 1.00 32.10 C ATOM 476 C ASP A 30 26.876 0.710 -29.111 1.00 14.24 C ATOM 477 O ASP A 30 27.350 1.733 -29.604 1.00 42.43 O ATOM 478 CB ASP A 30 24.506 1.059 -28.388 1.00 74.31 C ATOM 479 CG ASP A 30 23.527 1.976 -29.095 1.00 32.32 C ATOM 480 OD1 ASP A 30 23.929 2.623 -30.084 1.00 1.12 O ATOM 481 OD2 ASP A 30 22.359 2.047 -28.658 1.00 74.44 O ATOM 0 H ASP A 30 24.543 -1.400 -28.547 1.00 43.52 H new ATOM 0 HA ASP A 30 25.161 0.605 -30.383 1.00 32.10 H new ATOM 0 HB2 ASP A 30 23.953 0.333 -27.792 1.00 74.31 H new ATOM 0 HB3 ASP A 30 25.112 1.644 -27.696 1.00 74.31 H new ATOM 486 N LYS A 31 27.577 -0.111 -28.337 1.00 62.21 N ATOM 487 CA LYS A 31 28.976 0.147 -28.017 1.00 62.42 C ATOM 488 C LYS A 31 29.891 -0.366 -29.125 1.00 50.32 C ATOM 489 O LYS A 31 30.922 0.239 -29.421 1.00 15.11 O ATOM 490 CB LYS A 31 29.347 -0.515 -26.688 1.00 63.32 C ATOM 491 CG LYS A 31 28.573 0.029 -25.501 1.00 34.15 C ATOM 492 CD LYS A 31 29.040 1.425 -25.122 1.00 75.44 C ATOM 493 CE LYS A 31 28.989 1.641 -23.618 1.00 30.33 C ATOM 494 NZ LYS A 31 29.280 3.054 -23.250 1.00 52.23 N ATOM 0 H LYS A 31 27.199 -0.961 -27.919 1.00 62.21 H new ATOM 0 HA LYS A 31 29.110 1.225 -27.929 1.00 62.42 H new ATOM 0 HB2 LYS A 31 29.171 -1.588 -26.765 1.00 63.32 H new ATOM 0 HB3 LYS A 31 30.414 -0.379 -26.509 1.00 63.32 H new ATOM 0 HG2 LYS A 31 27.510 0.052 -25.739 1.00 34.15 H new ATOM 0 HG3 LYS A 31 28.694 -0.640 -24.649 1.00 34.15 H new ATOM 0 HD2 LYS A 31 30.059 1.578 -25.478 1.00 75.44 H new ATOM 0 HD3 LYS A 31 28.414 2.166 -25.618 1.00 75.44 H new ATOM 0 HE2 LYS A 31 28.003 1.364 -23.245 1.00 30.33 H new ATOM 0 HE3 LYS A 31 29.710 0.983 -23.132 1.00 30.33 H new ATOM 0 HZ1 LYS A 31 29.235 3.160 -22.216 1.00 52.23 H new ATOM 0 HZ2 LYS A 31 30.231 3.311 -23.584 1.00 52.23 H new ATOM 0 HZ3 LYS A 31 28.577 3.680 -23.693 1.00 52.23 H new ATOM 508 N TRP A 32 29.507 -1.481 -29.734 1.00 73.35 N ATOM 509 CA TRP A 32 30.292 -2.073 -30.811 1.00 64.43 C ATOM 510 C TRP A 32 30.610 -1.039 -31.886 1.00 20.25 C ATOM 511 O TRP A 32 31.646 -1.114 -32.547 1.00 0.34 O ATOM 512 CB TRP A 32 29.541 -3.254 -31.429 1.00 22.13 C ATOM 513 CG TRP A 32 29.589 -4.494 -30.588 1.00 12.34 C ATOM 514 CD1 TRP A 32 29.356 -4.582 -29.245 1.00 22.52 C ATOM 515 CD2 TRP A 32 29.890 -5.821 -31.033 1.00 55.33 C ATOM 516 NE1 TRP A 32 29.494 -5.885 -28.829 1.00 2.21 N ATOM 517 CE2 TRP A 32 29.820 -6.664 -29.907 1.00 62.12 C ATOM 518 CE3 TRP A 32 30.208 -6.379 -32.274 1.00 44.11 C ATOM 519 CZ2 TRP A 32 30.060 -8.033 -29.987 1.00 74.32 C ATOM 520 CZ3 TRP A 32 30.446 -7.738 -32.352 1.00 10.12 C ATOM 521 CH2 TRP A 32 30.370 -8.553 -31.215 1.00 11.05 C ATOM 0 H TRP A 32 28.657 -1.994 -29.501 1.00 73.35 H new ATOM 0 HA TRP A 32 31.231 -2.430 -30.387 1.00 64.43 H new ATOM 0 HB2 TRP A 32 28.500 -2.971 -31.587 1.00 22.13 H new ATOM 0 HB3 TRP A 32 29.965 -3.472 -32.409 1.00 22.13 H new ATOM 0 HD1 TRP A 32 29.101 -3.751 -28.604 1.00 22.52 H new ATOM 0 HE1 TRP A 32 29.373 -6.218 -27.872 1.00 2.21 H new ATOM 0 HE3 TRP A 32 30.267 -5.759 -33.156 1.00 44.11 H new ATOM 0 HZ2 TRP A 32 30.004 -8.663 -29.111 1.00 74.32 H new ATOM 0 HZ3 TRP A 32 30.695 -8.179 -33.306 1.00 10.12 H new ATOM 0 HH2 TRP A 32 30.560 -9.612 -31.309 1.00 11.05 H new ATOM 532 N LYS A 33 29.713 -0.074 -32.055 1.00 52.02 N ATOM 533 CA LYS A 33 29.898 0.977 -33.049 1.00 13.24 C ATOM 534 C LYS A 33 31.200 1.733 -32.805 1.00 1.00 C ATOM 535 O LYS A 33 31.854 2.181 -33.746 1.00 31.21 O ATOM 536 CB LYS A 33 28.717 1.951 -33.017 1.00 62.40 C ATOM 537 CG LYS A 33 27.733 1.750 -34.156 1.00 51.13 C ATOM 538 CD LYS A 33 26.342 2.235 -33.783 1.00 40.14 C ATOM 539 CE LYS A 33 25.706 3.027 -34.915 1.00 72.04 C ATOM 540 NZ LYS A 33 24.229 3.135 -34.755 1.00 62.13 N ATOM 0 H LYS A 33 28.850 0.002 -31.516 1.00 52.02 H new ATOM 0 HA LYS A 33 29.949 0.508 -34.032 1.00 13.24 H new ATOM 0 HB2 LYS A 33 28.191 1.840 -32.069 1.00 62.40 H new ATOM 0 HB3 LYS A 33 29.098 2.972 -33.052 1.00 62.40 H new ATOM 0 HG2 LYS A 33 28.082 2.286 -35.038 1.00 51.13 H new ATOM 0 HG3 LYS A 33 27.692 0.693 -34.421 1.00 51.13 H new ATOM 0 HD2 LYS A 33 25.712 1.381 -33.536 1.00 40.14 H new ATOM 0 HD3 LYS A 33 26.400 2.857 -32.890 1.00 40.14 H new ATOM 0 HE2 LYS A 33 26.142 4.026 -34.949 1.00 72.04 H new ATOM 0 HE3 LYS A 33 25.934 2.547 -35.867 1.00 72.04 H new ATOM 0 HZ1 LYS A 33 23.833 3.682 -35.546 1.00 62.13 H new ATOM 0 HZ2 LYS A 33 23.810 2.183 -34.748 1.00 62.13 H new ATOM 0 HZ3 LYS A 33 24.011 3.616 -33.859 1.00 62.13 H new ATOM 554 N ASN A 34 31.571 1.870 -31.536 1.00 62.31 N ATOM 555 CA ASN A 34 32.796 2.571 -31.169 1.00 64.43 C ATOM 556 C ASN A 34 32.801 3.989 -31.731 1.00 54.11 C ATOM 557 O ASN A 34 33.860 4.579 -31.947 1.00 72.32 O ATOM 558 CB ASN A 34 34.019 1.805 -31.679 1.00 71.40 C ATOM 559 CG ASN A 34 35.317 2.345 -31.112 1.00 25.22 C ATOM 560 OD1 ASN A 34 36.047 3.073 -31.786 1.00 31.54 O ATOM 561 ND2 ASN A 34 35.612 1.990 -29.867 1.00 21.53 N ATOM 0 H ASN A 34 31.041 1.505 -30.745 1.00 62.31 H new ATOM 0 HA ASN A 34 32.839 2.630 -30.081 1.00 64.43 H new ATOM 0 HB2 ASN A 34 33.921 0.752 -31.415 1.00 71.40 H new ATOM 0 HB3 ASN A 34 34.051 1.859 -32.767 1.00 71.40 H new ATOM 0 HD21 ASN A 34 36.473 2.322 -29.432 1.00 21.53 H new ATOM 0 HD22 ASN A 34 34.978 1.385 -29.345 1.00 21.53 H new ATOM 568 N ILE A 35 31.610 4.531 -31.965 1.00 31.55 N ATOM 569 CA ILE A 35 31.476 5.880 -32.499 1.00 65.02 C ATOM 570 C ILE A 35 30.211 6.554 -31.981 1.00 34.02 C ATOM 571 O ILE A 35 29.677 6.178 -30.937 1.00 5.54 O ATOM 572 CB ILE A 35 31.448 5.875 -34.039 1.00 43.20 C ATOM 573 CG1 ILE A 35 32.723 5.235 -34.592 1.00 71.42 C ATOM 574 CG2 ILE A 35 31.287 7.292 -34.570 1.00 63.32 C ATOM 575 CD1 ILE A 35 32.764 5.179 -36.103 1.00 64.22 C ATOM 0 H ILE A 35 30.724 4.056 -31.793 1.00 31.55 H new ATOM 0 HA ILE A 35 32.347 6.441 -32.161 1.00 65.02 H new ATOM 0 HB ILE A 35 30.594 5.284 -34.370 1.00 43.20 H new ATOM 0 HG12 ILE A 35 33.586 5.796 -34.234 1.00 71.42 H new ATOM 0 HG13 ILE A 35 32.813 4.223 -34.196 1.00 71.42 H new ATOM 0 HG21 ILE A 35 31.269 7.272 -35.660 1.00 63.32 H new ATOM 0 HG22 ILE A 35 30.354 7.716 -34.199 1.00 63.32 H new ATOM 0 HG23 ILE A 35 32.123 7.904 -34.232 1.00 63.32 H new ATOM 0 HD11 ILE A 35 33.696 4.713 -36.425 1.00 64.22 H new ATOM 0 HD12 ILE A 35 31.920 4.593 -36.468 1.00 64.22 H new ATOM 0 HD13 ILE A 35 32.706 6.190 -36.506 1.00 64.22 H new TER 587 ILE A 35