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+ -153:sc= -0.173 (180deg=-0.886) 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+ 177:sc= 0 (180deg=-0.015) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -3.18! C(o=-3.2!,f=-6.1!) 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 -2.948 -1.890 -3.283 1.00 2.31 N ATOM 2 CA LYS A 1 -2.760 -2.434 -4.623 1.00 15.52 C ATOM 3 C LYS A 1 -2.319 -3.892 -4.561 1.00 63.20 C ATOM 4 O LYS A 1 -2.217 -4.476 -3.482 1.00 14.02 O ATOM 5 CB LYS A 1 -1.725 -1.608 -5.390 1.00 74.14 C ATOM 6 CG LYS A 1 -2.085 -0.137 -5.506 1.00 72.04 C ATOM 7 CD LYS A 1 -1.487 0.675 -4.370 1.00 22.32 C ATOM 8 CE LYS A 1 -1.347 2.142 -4.746 1.00 60.21 C ATOM 9 NZ LYS A 1 -2.432 2.972 -4.154 1.00 11.10 N ATOM 0 H1 LYS A 1 -3.646 -1.120 -3.316 1.00 2.31 H new ATOM 0 H2 LYS A 1 -3.289 -2.640 -2.649 1.00 2.31 H new ATOM 0 H3 LYS A 1 -2.043 -1.522 -2.928 1.00 2.31 H new ATOM 0 HA LYS A 1 -3.715 -2.384 -5.146 1.00 15.52 H new ATOM 0 HB2 LYS A 1 -0.759 -1.699 -4.893 1.00 74.14 H new ATOM 0 HB3 LYS A 1 -1.609 -2.025 -6.390 1.00 74.14 H new ATOM 0 HG2 LYS A 1 -1.728 0.252 -6.460 1.00 72.04 H new ATOM 0 HG3 LYS A 1 -3.169 -0.026 -5.503 1.00 72.04 H new ATOM 0 HD2 LYS A 1 -2.117 0.584 -3.485 1.00 22.32 H new ATOM 0 HD3 LYS A 1 -0.509 0.271 -4.108 1.00 22.32 H new ATOM 0 HE2 LYS A 1 -0.380 2.513 -4.407 1.00 60.21 H new ATOM 0 HE3 LYS A 1 -1.364 2.242 -5.831 1.00 60.21 H new ATOM 0 HZ1 LYS A 1 -2.301 3.965 -4.434 1.00 11.10 H new ATOM 0 HZ2 LYS A 1 -3.354 2.634 -4.497 1.00 11.10 H new ATOM 0 HZ3 LYS A 1 -2.400 2.897 -3.117 1.00 11.10 H new ATOM 23 N LYS A 2 -2.055 -4.476 -5.725 1.00 53.44 N ATOM 24 CA LYS A 2 -1.621 -5.865 -5.804 1.00 73.35 C ATOM 25 C LYS A 2 -0.220 -6.032 -5.224 1.00 55.23 C ATOM 26 O LYS A 2 0.084 -7.044 -4.594 1.00 70.52 O ATOM 27 CB LYS A 2 -1.644 -6.346 -7.257 1.00 64.22 C ATOM 28 CG LYS A 2 -3.036 -6.387 -7.863 1.00 62.30 C ATOM 29 CD LYS A 2 -3.302 -5.169 -8.732 1.00 32.34 C ATOM 30 CE LYS A 2 -4.591 -4.469 -8.329 1.00 2.30 C ATOM 31 NZ LYS A 2 -5.207 -3.741 -9.473 1.00 11.23 N ATOM 0 H LYS A 2 -2.134 -4.008 -6.628 1.00 53.44 H new ATOM 0 HA LYS A 2 -2.312 -6.469 -5.216 1.00 73.35 H new ATOM 0 HB2 LYS A 2 -1.015 -5.690 -7.858 1.00 64.22 H new ATOM 0 HB3 LYS A 2 -1.205 -7.343 -7.308 1.00 64.22 H new ATOM 0 HG2 LYS A 2 -3.147 -7.292 -8.460 1.00 62.30 H new ATOM 0 HG3 LYS A 2 -3.779 -6.436 -7.067 1.00 62.30 H new ATOM 0 HD2 LYS A 2 -2.467 -4.473 -8.650 1.00 32.34 H new ATOM 0 HD3 LYS A 2 -3.363 -5.472 -9.777 1.00 32.34 H new ATOM 0 HE2 LYS A 2 -5.298 -5.203 -7.943 1.00 2.30 H new ATOM 0 HE3 LYS A 2 -4.386 -3.768 -7.520 1.00 2.30 H new ATOM 0 HZ1 LYS A 2 -6.083 -3.277 -9.158 1.00 11.23 H new ATOM 0 HZ2 LYS A 2 -4.543 -3.023 -9.826 1.00 11.23 H new ATOM 0 HZ3 LYS A 2 -5.426 -4.414 -10.235 1.00 11.23 H new ATOM 45 N TRP A 3 0.627 -5.032 -5.440 1.00 15.12 N ATOM 46 CA TRP A 3 1.995 -5.068 -4.936 1.00 50.34 C ATOM 47 C TRP A 3 2.748 -6.272 -5.491 1.00 52.25 C ATOM 48 O TRP A 3 3.356 -7.035 -4.742 1.00 44.43 O ATOM 49 CB TRP A 3 1.997 -5.110 -3.407 1.00 72.04 C ATOM 50 CG TRP A 3 1.302 -3.940 -2.780 1.00 0.40 C ATOM 51 CD1 TRP A 3 1.275 -2.656 -3.246 1.00 74.35 C ATOM 52 CD2 TRP A 3 0.536 -3.945 -1.570 1.00 64.32 C ATOM 53 NE1 TRP A 3 0.538 -1.864 -2.399 1.00 51.14 N ATOM 54 CE2 TRP A 3 0.073 -2.631 -1.364 1.00 5.11 C ATOM 55 CE3 TRP A 3 0.195 -4.933 -0.642 1.00 50.23 C ATOM 56 CZ2 TRP A 3 -0.711 -2.282 -0.268 1.00 3.32 C ATOM 57 CZ3 TRP A 3 -0.583 -4.584 0.445 1.00 31.53 C ATOM 58 CH2 TRP A 3 -1.030 -3.269 0.625 1.00 43.51 C ATOM 0 H TRP A 3 0.391 -4.187 -5.960 1.00 15.12 H new ATOM 0 HA TRP A 3 2.502 -4.162 -5.268 1.00 50.34 H new ATOM 0 HB2 TRP A 3 1.516 -6.030 -3.075 1.00 72.04 H new ATOM 0 HB3 TRP A 3 3.027 -5.144 -3.053 1.00 72.04 H new ATOM 0 HD1 TRP A 3 1.761 -2.314 -4.148 1.00 74.35 H new ATOM 0 HE1 TRP A 3 0.365 -0.866 -2.521 1.00 51.14 H new ATOM 0 HE3 TRP A 3 0.533 -5.950 -0.772 1.00 50.23 H new ATOM 0 HZ2 TRP A 3 -1.055 -1.268 -0.127 1.00 3.32 H new ATOM 0 HZ3 TRP A 3 -0.851 -5.339 1.169 1.00 31.53 H new ATOM 0 HH2 TRP A 3 -1.638 -3.029 1.485 1.00 43.51 H new ATOM 69 N GLY A 4 2.702 -6.437 -6.810 1.00 45.51 N ATOM 70 CA GLY A 4 3.385 -7.550 -7.442 1.00 72.44 C ATOM 71 C GLY A 4 4.790 -7.194 -7.884 1.00 44.11 C ATOM 72 O GLY A 4 5.383 -7.887 -8.711 1.00 74.13 O ATOM 0 H GLY A 4 2.204 -5.820 -7.451 1.00 45.51 H new ATOM 0 HA2 GLY A 4 3.428 -8.388 -6.746 1.00 72.44 H new ATOM 0 HA3 GLY A 4 2.809 -7.882 -8.306 1.00 72.44 H new ATOM 76 N TRP A 5 5.325 -6.110 -7.333 1.00 74.03 N ATOM 77 CA TRP A 5 6.669 -5.662 -7.677 1.00 43.12 C ATOM 78 C TRP A 5 7.721 -6.473 -6.929 1.00 4.34 C ATOM 79 O TRP A 5 8.574 -7.117 -7.541 1.00 23.24 O ATOM 80 CB TRP A 5 6.831 -4.175 -7.357 1.00 51.15 C ATOM 81 CG TRP A 5 5.770 -3.316 -7.976 1.00 14.35 C ATOM 82 CD1 TRP A 5 4.996 -3.621 -9.059 1.00 32.04 C ATOM 83 CD2 TRP A 5 5.367 -2.010 -7.548 1.00 5.13 C ATOM 84 NE1 TRP A 5 4.137 -2.583 -9.330 1.00 33.51 N ATOM 85 CE2 TRP A 5 4.344 -1.584 -8.417 1.00 2.40 C ATOM 86 CE3 TRP A 5 5.770 -1.160 -6.514 1.00 64.31 C ATOM 87 CZ2 TRP A 5 3.722 -0.345 -8.283 1.00 32.42 C ATOM 88 CZ3 TRP A 5 5.152 0.068 -6.382 1.00 51.44 C ATOM 89 CH2 TRP A 5 4.136 0.466 -7.262 1.00 43.30 C ATOM 0 H TRP A 5 4.848 -5.525 -6.646 1.00 74.03 H new ATOM 0 HA TRP A 5 6.813 -5.814 -8.747 1.00 43.12 H new ATOM 0 HB2 TRP A 5 6.813 -4.039 -6.276 1.00 51.15 H new ATOM 0 HB3 TRP A 5 7.808 -3.840 -7.705 1.00 51.15 H new ATOM 0 HD1 TRP A 5 5.051 -4.542 -9.620 1.00 32.04 H new ATOM 0 HE1 TRP A 5 3.456 -2.561 -10.089 1.00 33.51 H new ATOM 0 HE3 TRP A 5 6.551 -1.458 -5.830 1.00 64.31 H new ATOM 0 HZ2 TRP A 5 2.941 -0.035 -8.961 1.00 32.42 H new ATOM 0 HZ3 TRP A 5 5.457 0.733 -5.587 1.00 51.44 H new ATOM 0 HH2 TRP A 5 3.671 1.432 -7.131 1.00 43.30 H new ATOM 100 N LEU A 6 7.656 -6.437 -5.602 1.00 60.23 N ATOM 101 CA LEU A 6 8.604 -7.170 -4.770 1.00 12.24 C ATOM 102 C LEU A 6 8.370 -8.674 -4.872 1.00 52.44 C ATOM 103 O LEU A 6 9.288 -9.469 -4.676 1.00 72.34 O ATOM 104 CB LEU A 6 8.484 -6.722 -3.312 1.00 24.01 C ATOM 105 CG LEU A 6 7.095 -6.843 -2.684 1.00 65.11 C ATOM 106 CD1 LEU A 6 7.125 -7.802 -1.504 1.00 73.33 C ATOM 107 CD2 LEU A 6 6.585 -5.477 -2.250 1.00 42.33 C ATOM 0 H LEU A 6 6.957 -5.908 -5.080 1.00 60.23 H new ATOM 0 HA LEU A 6 9.610 -6.953 -5.130 1.00 12.24 H new ATOM 0 HB2 LEU A 6 9.183 -7.307 -2.714 1.00 24.01 H new ATOM 0 HB3 LEU A 6 8.801 -5.681 -3.245 1.00 24.01 H new ATOM 0 HG LEU A 6 6.412 -7.242 -3.434 1.00 65.11 H new ATOM 0 HD11 LEU A 6 6.128 -7.876 -1.070 1.00 73.33 H new ATOM 0 HD12 LEU A 6 7.447 -8.787 -1.843 1.00 73.33 H new ATOM 0 HD13 LEU A 6 7.822 -7.432 -0.752 1.00 73.33 H new ATOM 0 HD21 LEU A 6 5.595 -5.583 -1.805 1.00 42.33 H new ATOM 0 HD22 LEU A 6 7.269 -5.050 -1.517 1.00 42.33 H new ATOM 0 HD23 LEU A 6 6.525 -4.819 -3.117 1.00 42.33 H new ATOM 119 N ALA A 7 7.135 -9.055 -5.183 1.00 63.20 N ATOM 120 CA ALA A 7 6.782 -10.463 -5.316 1.00 73.03 C ATOM 121 C ALA A 7 7.484 -11.095 -6.513 1.00 45.31 C ATOM 122 O ALA A 7 7.731 -12.300 -6.534 1.00 63.53 O ATOM 123 CB ALA A 7 5.274 -10.618 -5.445 1.00 34.51 C ATOM 0 H ALA A 7 6.363 -8.409 -5.347 1.00 63.20 H new ATOM 0 HA ALA A 7 7.115 -10.982 -4.417 1.00 73.03 H new ATOM 0 HB1 ALA A 7 5.024 -11.674 -5.544 1.00 34.51 H new ATOM 0 HB2 ALA A 7 4.789 -10.212 -4.557 1.00 34.51 H new ATOM 0 HB3 ALA A 7 4.927 -10.079 -6.327 1.00 34.51 H new ATOM 129 N TRP A 8 7.803 -10.273 -7.507 1.00 21.41 N ATOM 130 CA TRP A 8 8.477 -10.753 -8.708 1.00 43.01 C ATOM 131 C TRP A 8 9.992 -10.673 -8.551 1.00 73.30 C ATOM 132 O TRP A 8 10.732 -11.417 -9.195 1.00 4.25 O ATOM 133 CB TRP A 8 8.035 -9.939 -9.925 1.00 72.24 C ATOM 134 CG TRP A 8 6.708 -10.367 -10.476 1.00 21.33 C ATOM 135 CD1 TRP A 8 5.642 -10.843 -9.767 1.00 71.23 C ATOM 136 CD2 TRP A 8 6.308 -10.360 -11.850 1.00 51.03 C ATOM 137 NE1 TRP A 8 4.603 -11.132 -10.619 1.00 30.32 N ATOM 138 CE2 TRP A 8 4.986 -10.844 -11.902 1.00 11.31 C ATOM 139 CE3 TRP A 8 6.937 -9.990 -13.042 1.00 75.02 C ATOM 140 CZ2 TRP A 8 4.285 -10.967 -13.099 1.00 31.25 C ATOM 141 CZ3 TRP A 8 6.240 -10.113 -14.229 1.00 74.41 C ATOM 142 CH2 TRP A 8 4.925 -10.598 -14.250 1.00 51.23 C ATOM 0 H TRP A 8 7.606 -9.272 -7.505 1.00 21.41 H new ATOM 0 HA TRP A 8 8.200 -11.797 -8.857 1.00 43.01 H new ATOM 0 HB2 TRP A 8 7.983 -8.886 -9.649 1.00 72.24 H new ATOM 0 HB3 TRP A 8 8.790 -10.027 -10.706 1.00 72.24 H new ATOM 0 HD1 TRP A 8 5.619 -10.973 -8.695 1.00 71.23 H new ATOM 0 HE1 TRP A 8 3.694 -11.501 -10.341 1.00 30.32 H new ATOM 0 HE3 TRP A 8 7.950 -9.615 -13.036 1.00 75.02 H new ATOM 0 HZ2 TRP A 8 3.272 -11.341 -13.118 1.00 31.25 H new ATOM 0 HZ3 TRP A 8 6.717 -9.831 -15.156 1.00 74.41 H new ATOM 0 HH2 TRP A 8 4.407 -10.682 -15.194 1.00 51.23 H new ATOM 153 N VAL A 9 10.446 -9.767 -7.691 1.00 65.04 N ATOM 154 CA VAL A 9 11.873 -9.592 -7.449 1.00 44.51 C ATOM 155 C VAL A 9 12.448 -10.771 -6.672 1.00 41.15 C ATOM 156 O VAL A 9 13.575 -11.201 -6.921 1.00 34.05 O ATOM 157 CB VAL A 9 12.155 -8.292 -6.671 1.00 30.51 C ATOM 158 CG1 VAL A 9 13.645 -8.143 -6.401 1.00 74.45 C ATOM 159 CG2 VAL A 9 11.620 -7.089 -7.432 1.00 75.22 C ATOM 0 H VAL A 9 9.847 -9.143 -7.151 1.00 65.04 H new ATOM 0 HA VAL A 9 12.355 -9.535 -8.425 1.00 44.51 H new ATOM 0 HB VAL A 9 11.640 -8.345 -5.712 1.00 30.51 H new ATOM 0 HG11 VAL A 9 13.824 -7.219 -5.851 1.00 74.45 H new ATOM 0 HG12 VAL A 9 13.994 -8.990 -5.811 1.00 74.45 H new ATOM 0 HG13 VAL A 9 14.185 -8.112 -7.347 1.00 74.45 H new ATOM 0 HG21 VAL A 9 11.828 -6.180 -6.868 1.00 75.22 H new ATOM 0 HG22 VAL A 9 12.104 -7.030 -8.407 1.00 75.22 H new ATOM 0 HG23 VAL A 9 10.544 -7.194 -7.568 1.00 75.22 H new ATOM 169 N ASP A 10 11.666 -11.290 -5.732 1.00 45.01 N ATOM 170 CA ASP A 10 12.097 -12.422 -4.919 1.00 54.32 C ATOM 171 C ASP A 10 12.586 -13.568 -5.799 1.00 12.10 C ATOM 172 O ASP A 10 13.739 -13.993 -5.723 1.00 52.20 O ATOM 173 CB ASP A 10 10.951 -12.901 -4.027 1.00 14.44 C ATOM 174 CG ASP A 10 11.167 -12.549 -2.568 1.00 24.32 C ATOM 175 OD1 ASP A 10 12.278 -12.801 -2.056 1.00 61.11 O ATOM 176 OD2 ASP A 10 10.226 -12.023 -1.938 1.00 31.44 O ATOM 0 H ASP A 10 10.731 -10.945 -5.514 1.00 45.01 H new ATOM 0 HA ASP A 10 12.924 -12.093 -4.290 1.00 54.32 H new ATOM 0 HB2 ASP A 10 10.017 -12.457 -4.371 1.00 14.44 H new ATOM 0 HB3 ASP A 10 10.845 -13.981 -4.125 1.00 14.44 H new ATOM 181 N PRO A 11 11.689 -14.082 -6.654 1.00 23.31 N ATOM 182 CA PRO A 11 12.007 -15.187 -7.564 1.00 53.31 C ATOM 183 C PRO A 11 12.968 -14.767 -8.671 1.00 71.42 C ATOM 184 O PRO A 11 13.463 -15.604 -9.426 1.00 12.10 O ATOM 185 CB PRO A 11 10.645 -15.564 -8.153 1.00 11.32 C ATOM 186 CG PRO A 11 9.829 -14.322 -8.046 1.00 1.22 C ATOM 187 CD PRO A 11 10.297 -13.625 -6.798 1.00 60.11 C ATOM 0 HA PRO A 11 12.507 -16.008 -7.050 1.00 53.31 H new ATOM 0 HB2 PRO A 11 10.738 -15.888 -9.189 1.00 11.32 H new ATOM 0 HB3 PRO A 11 10.189 -16.386 -7.601 1.00 11.32 H new ATOM 0 HG2 PRO A 11 9.967 -13.688 -8.922 1.00 1.22 H new ATOM 0 HG3 PRO A 11 8.766 -14.557 -7.986 1.00 1.22 H new ATOM 0 HD2 PRO A 11 10.238 -12.541 -6.897 1.00 60.11 H new ATOM 0 HD3 PRO A 11 9.692 -13.900 -5.934 1.00 60.11 H new ATOM 195 N ALA A 12 13.228 -13.467 -8.762 1.00 20.33 N ATOM 196 CA ALA A 12 14.132 -12.938 -9.775 1.00 42.10 C ATOM 197 C ALA A 12 15.583 -13.267 -9.442 1.00 4.12 C ATOM 198 O ALA A 12 16.281 -13.908 -10.228 1.00 41.00 O ATOM 199 CB ALA A 12 13.948 -11.434 -9.913 1.00 1.24 C ATOM 0 H ALA A 12 12.825 -12.761 -8.146 1.00 20.33 H new ATOM 0 HA ALA A 12 13.889 -13.412 -10.726 1.00 42.10 H new ATOM 0 HB1 ALA A 12 14.630 -11.052 -10.673 1.00 1.24 H new ATOM 0 HB2 ALA A 12 12.920 -11.219 -10.206 1.00 1.24 H new ATOM 0 HB3 ALA A 12 14.162 -10.952 -8.959 1.00 1.24 H new ATOM 205 N TYR A 13 16.032 -12.824 -8.273 1.00 11.33 N ATOM 206 CA TYR A 13 17.402 -13.069 -7.837 1.00 53.40 C ATOM 207 C TYR A 13 17.746 -14.552 -7.931 1.00 45.33 C ATOM 208 O TYR A 13 18.721 -14.933 -8.579 1.00 32.11 O ATOM 209 CB TYR A 13 17.598 -12.578 -6.402 1.00 31.25 C ATOM 210 CG TYR A 13 17.823 -11.087 -6.297 1.00 13.35 C ATOM 211 CD1 TYR A 13 16.813 -10.188 -6.616 1.00 51.42 C ATOM 212 CD2 TYR A 13 19.045 -10.577 -5.877 1.00 1.45 C ATOM 213 CE1 TYR A 13 17.014 -8.824 -6.522 1.00 63.25 C ATOM 214 CE2 TYR A 13 19.255 -9.215 -5.778 1.00 40.44 C ATOM 215 CZ TYR A 13 18.237 -8.343 -6.103 1.00 11.41 C ATOM 216 OH TYR A 13 18.441 -6.985 -6.007 1.00 20.22 O ATOM 0 H TYR A 13 15.467 -12.293 -7.610 1.00 11.33 H new ATOM 0 HA TYR A 13 18.071 -12.517 -8.497 1.00 53.40 H new ATOM 0 HB2 TYR A 13 16.722 -12.847 -5.812 1.00 31.25 H new ATOM 0 HB3 TYR A 13 18.450 -13.097 -5.963 1.00 31.25 H new ATOM 0 HD1 TYR A 13 15.854 -10.562 -6.943 1.00 51.42 H new ATOM 0 HD2 TYR A 13 19.845 -11.257 -5.623 1.00 1.45 H new ATOM 0 HE1 TYR A 13 16.218 -8.139 -6.775 1.00 63.25 H new ATOM 0 HE2 TYR A 13 20.211 -8.835 -5.448 1.00 40.44 H new ATOM 0 HH TYR A 13 19.354 -6.813 -5.697 1.00 20.22 H new ATOM 226 N GLU A 14 16.939 -15.383 -7.280 1.00 54.04 N ATOM 227 CA GLU A 14 17.158 -16.825 -7.290 1.00 51.54 C ATOM 228 C GLU A 14 17.287 -17.345 -8.719 1.00 21.31 C ATOM 229 O GLU A 14 18.053 -18.271 -8.987 1.00 45.23 O ATOM 230 CB GLU A 14 16.011 -17.542 -6.576 1.00 32.20 C ATOM 231 CG GLU A 14 15.991 -17.313 -5.074 1.00 70.10 C ATOM 232 CD GLU A 14 16.907 -18.263 -4.327 1.00 2.31 C ATOM 233 OE1 GLU A 14 16.707 -19.490 -4.439 1.00 32.44 O ATOM 234 OE2 GLU A 14 17.824 -17.779 -3.631 1.00 11.22 O ATOM 0 H GLU A 14 16.128 -15.083 -6.739 1.00 54.04 H new ATOM 0 HA GLU A 14 18.089 -17.030 -6.762 1.00 51.54 H new ATOM 0 HB2 GLU A 14 15.064 -17.206 -6.999 1.00 32.20 H new ATOM 0 HB3 GLU A 14 16.085 -18.612 -6.771 1.00 32.20 H new ATOM 0 HG2 GLU A 14 16.289 -16.286 -4.863 1.00 70.10 H new ATOM 0 HG3 GLU A 14 14.972 -17.432 -4.706 1.00 70.10 H new ATOM 241 N PHE A 15 16.532 -16.744 -9.632 1.00 75.31 N ATOM 242 CA PHE A 15 16.559 -17.148 -11.033 1.00 45.52 C ATOM 243 C PHE A 15 17.864 -16.718 -11.697 1.00 5.31 C ATOM 244 O PHE A 15 18.526 -17.514 -12.364 1.00 33.34 O ATOM 245 CB PHE A 15 15.370 -16.545 -11.783 1.00 51.42 C ATOM 246 CG PHE A 15 15.128 -17.172 -13.126 1.00 52.13 C ATOM 247 CD1 PHE A 15 15.115 -18.550 -13.270 1.00 3.02 C ATOM 248 CD2 PHE A 15 14.912 -16.384 -14.245 1.00 40.41 C ATOM 249 CE1 PHE A 15 14.894 -19.130 -14.505 1.00 14.43 C ATOM 250 CE2 PHE A 15 14.689 -16.958 -15.483 1.00 3.44 C ATOM 251 CZ PHE A 15 14.679 -18.333 -15.612 1.00 40.42 C ATOM 0 H PHE A 15 15.894 -15.975 -9.427 1.00 75.31 H new ATOM 0 HA PHE A 15 16.491 -18.235 -11.073 1.00 45.52 H new ATOM 0 HB2 PHE A 15 14.473 -16.654 -11.173 1.00 51.42 H new ATOM 0 HB3 PHE A 15 15.538 -15.476 -11.915 1.00 51.42 H new ATOM 0 HD1 PHE A 15 15.279 -19.178 -12.407 1.00 3.02 H new ATOM 0 HD2 PHE A 15 14.918 -15.308 -14.149 1.00 40.41 H new ATOM 0 HE1 PHE A 15 14.889 -20.205 -14.604 1.00 14.43 H new ATOM 0 HE2 PHE A 15 14.523 -16.332 -16.347 1.00 3.44 H new ATOM 0 HZ PHE A 15 14.503 -18.784 -16.577 1.00 40.42 H new ATOM 261 N ILE A 16 18.228 -15.453 -11.510 1.00 31.42 N ATOM 262 CA ILE A 16 19.453 -14.918 -12.089 1.00 43.44 C ATOM 263 C ILE A 16 20.684 -15.594 -11.496 1.00 20.43 C ATOM 264 O ILE A 16 21.738 -15.659 -12.129 1.00 53.44 O ATOM 265 CB ILE A 16 19.562 -13.397 -11.870 1.00 53.02 C ATOM 266 CG1 ILE A 16 18.357 -12.684 -12.487 1.00 15.34 C ATOM 267 CG2 ILE A 16 20.858 -12.867 -12.464 1.00 63.32 C ATOM 268 CD1 ILE A 16 18.190 -12.947 -13.967 1.00 24.22 C ATOM 0 H ILE A 16 17.691 -14.780 -10.962 1.00 31.42 H new ATOM 0 HA ILE A 16 19.410 -15.122 -13.159 1.00 43.44 H new ATOM 0 HB ILE A 16 19.569 -13.199 -10.798 1.00 53.02 H new ATOM 0 HG12 ILE A 16 17.453 -13.000 -11.966 1.00 15.34 H new ATOM 0 HG13 ILE A 16 18.459 -11.611 -12.327 1.00 15.34 H new ATOM 0 HG21 ILE A 16 20.920 -11.791 -12.301 1.00 63.32 H new ATOM 0 HG22 ILE A 16 21.705 -13.356 -11.983 1.00 63.32 H new ATOM 0 HG23 ILE A 16 20.879 -13.074 -13.534 1.00 63.32 H new ATOM 0 HD11 ILE A 16 17.316 -12.410 -14.336 1.00 24.22 H new ATOM 0 HD12 ILE A 16 19.078 -12.605 -14.500 1.00 24.22 H new ATOM 0 HD13 ILE A 16 18.056 -14.016 -14.134 1.00 24.22 H new ATOM 280 N LYS A 17 20.543 -16.100 -10.275 1.00 62.42 N ATOM 281 CA LYS A 17 21.642 -16.776 -9.595 1.00 73.21 C ATOM 282 C LYS A 17 22.176 -17.929 -10.438 1.00 64.43 C ATOM 283 O LYS A 17 23.333 -18.325 -10.304 1.00 24.45 O ATOM 284 CB LYS A 17 21.181 -17.298 -8.232 1.00 42.11 C ATOM 285 CG LYS A 17 21.115 -16.223 -7.161 1.00 34.55 C ATOM 286 CD LYS A 17 22.465 -16.013 -6.497 1.00 63.21 C ATOM 287 CE LYS A 17 22.873 -14.548 -6.515 1.00 41.12 C ATOM 288 NZ LYS A 17 24.014 -14.278 -5.597 1.00 31.31 N ATOM 0 H LYS A 17 19.678 -16.055 -9.736 1.00 62.42 H new ATOM 0 HA LYS A 17 22.445 -16.054 -9.448 1.00 73.21 H new ATOM 0 HB2 LYS A 17 20.196 -17.752 -8.340 1.00 42.11 H new ATOM 0 HB3 LYS A 17 21.861 -18.085 -7.904 1.00 42.11 H new ATOM 0 HG2 LYS A 17 20.777 -15.286 -7.605 1.00 34.55 H new ATOM 0 HG3 LYS A 17 20.378 -16.503 -6.408 1.00 34.55 H new ATOM 0 HD2 LYS A 17 22.424 -16.368 -5.467 1.00 63.21 H new ATOM 0 HD3 LYS A 17 23.220 -16.609 -7.010 1.00 63.21 H new ATOM 0 HE2 LYS A 17 23.148 -14.260 -7.530 1.00 41.12 H new ATOM 0 HE3 LYS A 17 22.022 -13.931 -6.228 1.00 41.12 H new ATOM 0 HZ1 LYS A 17 24.262 -13.269 -5.638 1.00 31.31 H new ATOM 0 HZ2 LYS A 17 23.744 -14.529 -4.624 1.00 31.31 H new ATOM 0 HZ3 LYS A 17 24.835 -14.848 -5.886 1.00 31.31 H new ATOM 302 N GLY A 18 21.326 -18.464 -11.310 1.00 0.42 N ATOM 303 CA GLY A 18 21.732 -19.565 -12.163 1.00 23.11 C ATOM 304 C GLY A 18 21.428 -19.308 -13.626 1.00 23.35 C ATOM 305 O GLY A 18 22.327 -19.326 -14.467 1.00 23.35 O ATOM 0 H GLY A 18 20.363 -18.154 -11.440 1.00 0.42 H new ATOM 0 HA2 GLY A 18 22.801 -19.739 -12.042 1.00 23.11 H new ATOM 0 HA3 GLY A 18 21.223 -20.475 -11.844 1.00 23.11 H new ATOM 309 N PHE A 19 20.157 -19.070 -13.931 1.00 61.01 N ATOM 310 CA PHE A 19 19.736 -18.811 -15.303 1.00 61.20 C ATOM 311 C PHE A 19 20.558 -17.684 -15.921 1.00 1.44 C ATOM 312 O PHE A 19 20.762 -17.641 -17.133 1.00 73.31 O ATOM 313 CB PHE A 19 18.249 -18.455 -15.344 1.00 13.31 C ATOM 314 CG PHE A 19 17.792 -17.941 -16.679 1.00 51.23 C ATOM 315 CD1 PHE A 19 17.858 -16.589 -16.976 1.00 31.02 C ATOM 316 CD2 PHE A 19 17.296 -18.810 -17.638 1.00 1.30 C ATOM 317 CE1 PHE A 19 17.439 -16.113 -18.204 1.00 13.11 C ATOM 318 CE2 PHE A 19 16.876 -18.340 -18.868 1.00 11.52 C ATOM 319 CZ PHE A 19 16.946 -16.989 -19.151 1.00 21.43 C ATOM 0 H PHE A 19 19.401 -19.051 -13.247 1.00 61.01 H new ATOM 0 HA PHE A 19 19.901 -19.718 -15.884 1.00 61.20 H new ATOM 0 HB2 PHE A 19 17.665 -19.338 -15.084 1.00 13.31 H new ATOM 0 HB3 PHE A 19 18.043 -17.702 -14.584 1.00 13.31 H new ATOM 0 HD1 PHE A 19 18.241 -15.899 -16.239 1.00 31.02 H new ATOM 0 HD2 PHE A 19 17.237 -19.866 -17.422 1.00 1.30 H new ATOM 0 HE1 PHE A 19 17.497 -15.057 -18.423 1.00 13.11 H new ATOM 0 HE2 PHE A 19 16.493 -19.028 -19.607 1.00 11.52 H new ATOM 0 HZ PHE A 19 16.616 -16.619 -20.111 1.00 21.43 H new ATOM 329 N GLY A 20 21.028 -16.770 -15.076 1.00 32.41 N ATOM 330 CA GLY A 20 21.821 -15.654 -15.556 1.00 63.32 C ATOM 331 C GLY A 20 22.967 -15.314 -14.624 1.00 12.43 C ATOM 332 O GLY A 20 23.100 -14.172 -14.182 1.00 72.11 O ATOM 0 H GLY A 20 20.873 -16.783 -14.068 1.00 32.41 H new ATOM 0 HA2 GLY A 20 22.218 -15.892 -16.543 1.00 63.32 H new ATOM 0 HA3 GLY A 20 21.180 -14.780 -15.672 1.00 63.32 H new ATOM 336 N LYS A 21 23.797 -16.306 -14.321 1.00 75.41 N ATOM 337 CA LYS A 21 24.937 -16.108 -13.435 1.00 11.34 C ATOM 338 C LYS A 21 25.908 -15.086 -14.017 1.00 54.43 C ATOM 339 O LYS A 21 26.738 -14.526 -13.303 1.00 11.14 O ATOM 340 CB LYS A 21 25.660 -17.435 -13.195 1.00 42.11 C ATOM 341 CG LYS A 21 26.325 -17.999 -14.439 1.00 54.32 C ATOM 342 CD LYS A 21 25.593 -19.227 -14.954 1.00 51.33 C ATOM 343 CE LYS A 21 26.391 -20.497 -14.705 1.00 4.14 C ATOM 344 NZ LYS A 21 26.582 -20.756 -13.250 1.00 53.45 N ATOM 0 H LYS A 21 23.701 -17.257 -14.677 1.00 75.41 H new ATOM 0 HA LYS A 21 24.564 -15.728 -12.484 1.00 11.34 H new ATOM 0 HB2 LYS A 21 26.415 -17.293 -12.422 1.00 42.11 H new ATOM 0 HB3 LYS A 21 24.946 -18.164 -12.813 1.00 42.11 H new ATOM 0 HG2 LYS A 21 26.350 -17.236 -15.217 1.00 54.32 H new ATOM 0 HG3 LYS A 21 27.359 -18.259 -14.214 1.00 54.32 H new ATOM 0 HD2 LYS A 21 24.622 -19.305 -14.465 1.00 51.33 H new ATOM 0 HD3 LYS A 21 25.404 -19.118 -16.022 1.00 51.33 H new ATOM 0 HE2 LYS A 21 25.877 -21.344 -15.160 1.00 4.14 H new ATOM 0 HE3 LYS A 21 27.364 -20.416 -15.190 1.00 4.14 H new ATOM 0 HZ1 LYS A 21 27.086 -21.656 -13.121 1.00 53.45 H new ATOM 0 HZ2 LYS A 21 27.138 -19.984 -12.830 1.00 53.45 H new ATOM 0 HZ3 LYS A 21 25.655 -20.808 -12.782 1.00 53.45 H new ATOM 358 N GLY A 22 25.796 -14.846 -15.320 1.00 41.24 N ATOM 359 CA GLY A 22 26.669 -13.890 -15.976 1.00 63.13 C ATOM 360 C GLY A 22 26.098 -13.387 -17.287 1.00 71.21 C ATOM 361 O GLY A 22 26.733 -13.504 -18.334 1.00 62.45 O ATOM 0 H GLY A 22 25.116 -15.296 -15.933 1.00 41.24 H new ATOM 0 HA2 GLY A 22 26.842 -13.044 -15.310 1.00 63.13 H new ATOM 0 HA3 GLY A 22 27.638 -14.354 -16.160 1.00 63.13 H new ATOM 365 N ALA A 23 24.894 -12.827 -17.230 1.00 1.11 N ATOM 366 CA ALA A 23 24.237 -12.304 -18.422 1.00 23.34 C ATOM 367 C ALA A 23 24.902 -11.016 -18.894 1.00 42.05 C ATOM 368 O ALA A 23 25.063 -10.070 -18.123 1.00 30.14 O ATOM 369 CB ALA A 23 22.759 -12.068 -18.149 1.00 21.40 C ATOM 0 H ALA A 23 24.354 -12.724 -16.371 1.00 1.11 H new ATOM 0 HA ALA A 23 24.335 -13.045 -19.216 1.00 23.34 H new ATOM 0 HB1 ALA A 23 22.281 -11.678 -19.047 1.00 21.40 H new ATOM 0 HB2 ALA A 23 22.287 -13.009 -17.866 1.00 21.40 H new ATOM 0 HB3 ALA A 23 22.649 -11.348 -17.338 1.00 21.40 H new ATOM 375 N ILE A 24 25.287 -10.987 -20.166 1.00 0.51 N ATOM 376 CA ILE A 24 25.934 -9.814 -20.741 1.00 1.34 C ATOM 377 C ILE A 24 24.904 -8.802 -21.230 1.00 13.43 C ATOM 378 O ILE A 24 25.187 -7.607 -21.325 1.00 35.12 O ATOM 379 CB ILE A 24 26.857 -10.197 -21.913 1.00 34.43 C ATOM 380 CG1 ILE A 24 27.929 -11.184 -21.445 1.00 15.13 C ATOM 381 CG2 ILE A 24 27.498 -8.954 -22.511 1.00 20.22 C ATOM 382 CD1 ILE A 24 27.484 -12.629 -21.497 1.00 0.21 C ATOM 0 H ILE A 24 25.162 -11.762 -20.817 1.00 0.51 H new ATOM 0 HA ILE A 24 26.533 -9.365 -19.949 1.00 1.34 H new ATOM 0 HB ILE A 24 26.258 -10.680 -22.685 1.00 34.43 H new ATOM 0 HG12 ILE A 24 28.818 -11.063 -22.065 1.00 15.13 H new ATOM 0 HG13 ILE A 24 28.217 -10.938 -20.423 1.00 15.13 H new ATOM 0 HG21 ILE A 24 28.147 -9.241 -23.338 1.00 20.22 H new ATOM 0 HG22 ILE A 24 26.720 -8.283 -22.876 1.00 20.22 H new ATOM 0 HG23 ILE A 24 28.087 -8.445 -21.748 1.00 20.22 H new ATOM 0 HD11 ILE A 24 28.294 -13.272 -21.151 1.00 0.21 H new ATOM 0 HD12 ILE A 24 26.614 -12.765 -20.855 1.00 0.21 H new ATOM 0 HD13 ILE A 24 27.224 -12.893 -22.522 1.00 0.21 H new ATOM 394 N LYS A 25 23.706 -9.287 -21.537 1.00 53.15 N ATOM 395 CA LYS A 25 22.630 -8.426 -22.014 1.00 0.40 C ATOM 396 C LYS A 25 22.130 -7.513 -20.899 1.00 55.10 C ATOM 397 O LYS A 25 21.858 -6.334 -21.125 1.00 71.32 O ATOM 398 CB LYS A 25 21.474 -9.270 -22.554 1.00 33.32 C ATOM 399 CG LYS A 25 20.932 -10.272 -21.549 1.00 73.22 C ATOM 400 CD LYS A 25 19.658 -9.769 -20.891 1.00 53.14 C ATOM 401 CE LYS A 25 18.452 -9.949 -21.801 1.00 41.22 C ATOM 402 NZ LYS A 25 17.818 -11.285 -21.624 1.00 43.34 N ATOM 0 H LYS A 25 23.455 -10.273 -21.464 1.00 53.15 H new ATOM 0 HA LYS A 25 23.024 -7.806 -22.819 1.00 0.40 H new ATOM 0 HB2 LYS A 25 20.666 -8.608 -22.866 1.00 33.32 H new ATOM 0 HB3 LYS A 25 21.809 -9.804 -23.443 1.00 33.32 H new ATOM 0 HG2 LYS A 25 20.734 -11.220 -22.050 1.00 73.22 H new ATOM 0 HG3 LYS A 25 21.685 -10.466 -20.785 1.00 73.22 H new ATOM 0 HD2 LYS A 25 19.493 -10.306 -19.957 1.00 53.14 H new ATOM 0 HD3 LYS A 25 19.770 -8.715 -20.638 1.00 53.14 H new ATOM 0 HE2 LYS A 25 17.720 -9.169 -21.592 1.00 41.22 H new ATOM 0 HE3 LYS A 25 18.759 -9.828 -22.840 1.00 41.22 H new ATOM 0 HZ1 LYS A 25 17.000 -11.368 -22.261 1.00 43.34 H new ATOM 0 HZ2 LYS A 25 18.509 -12.029 -21.848 1.00 43.34 H new ATOM 0 HZ3 LYS A 25 17.501 -11.391 -20.639 1.00 43.34 H new ATOM 416 N GLU A 26 22.012 -8.066 -19.696 1.00 14.32 N ATOM 417 CA GLU A 26 21.544 -7.300 -18.546 1.00 44.44 C ATOM 418 C GLU A 26 22.590 -6.276 -18.114 1.00 12.43 C ATOM 419 O GLU A 26 22.254 -5.174 -17.682 1.00 13.23 O ATOM 420 CB GLU A 26 21.218 -8.235 -17.380 1.00 72.25 C ATOM 421 CG GLU A 26 20.105 -9.224 -17.686 1.00 41.55 C ATOM 422 CD GLU A 26 19.442 -9.762 -16.433 1.00 52.45 C ATOM 423 OE1 GLU A 26 19.985 -10.717 -15.839 1.00 53.50 O ATOM 424 OE2 GLU A 26 18.381 -9.229 -16.048 1.00 13.45 O ATOM 0 H GLU A 26 22.234 -9.041 -19.492 1.00 14.32 H new ATOM 0 HA GLU A 26 20.639 -6.769 -18.839 1.00 44.44 H new ATOM 0 HB2 GLU A 26 22.117 -8.786 -17.105 1.00 72.25 H new ATOM 0 HB3 GLU A 26 20.933 -7.637 -16.514 1.00 72.25 H new ATOM 0 HG2 GLU A 26 19.354 -8.739 -18.310 1.00 41.55 H new ATOM 0 HG3 GLU A 26 20.511 -10.055 -18.263 1.00 41.55 H new ATOM 431 N GLY A 27 23.860 -6.649 -18.233 1.00 4.12 N ATOM 432 CA GLY A 27 24.936 -5.753 -17.850 1.00 32.13 C ATOM 433 C GLY A 27 26.051 -6.468 -17.112 1.00 14.30 C ATOM 434 O GLY A 27 25.855 -6.955 -16.000 1.00 31.24 O ATOM 0 H GLY A 27 24.164 -7.556 -18.588 1.00 4.12 H new ATOM 0 HA2 GLY A 27 25.342 -5.276 -18.742 1.00 32.13 H new ATOM 0 HA3 GLY A 27 24.537 -4.960 -17.218 1.00 32.13 H new ATOM 438 N ASN A 28 27.224 -6.531 -17.734 1.00 34.53 N ATOM 439 CA ASN A 28 28.374 -7.194 -17.130 1.00 32.25 C ATOM 440 C ASN A 28 28.783 -6.500 -15.834 1.00 43.23 C ATOM 441 O ASN A 28 29.503 -5.501 -15.853 1.00 24.24 O ATOM 442 CB ASN A 28 29.551 -7.210 -18.107 1.00 31.31 C ATOM 443 CG ASN A 28 29.568 -8.456 -18.971 1.00 31.51 C ATOM 444 OD1 ASN A 28 29.157 -8.427 -20.131 1.00 14.22 O ATOM 445 ND2 ASN A 28 30.045 -9.560 -18.408 1.00 22.35 N ATOM 0 H ASN A 28 27.403 -6.131 -18.655 1.00 34.53 H new ATOM 0 HA ASN A 28 28.090 -8.220 -16.898 1.00 32.25 H new ATOM 0 HB2 ASN A 28 29.501 -6.329 -18.746 1.00 31.31 H new ATOM 0 HB3 ASN A 28 30.485 -7.146 -17.548 1.00 31.31 H new ATOM 0 HD21 ASN A 28 30.081 -10.429 -18.940 1.00 22.35 H new ATOM 0 HD22 ASN A 28 30.375 -9.539 -17.443 1.00 22.35 H new ATOM 452 N LYS A 29 28.320 -7.036 -14.710 1.00 50.41 N ATOM 453 CA LYS A 29 28.638 -6.470 -13.404 1.00 64.24 C ATOM 454 C LYS A 29 30.103 -6.709 -13.051 1.00 11.13 C ATOM 455 O LYS A 29 30.783 -5.815 -12.546 1.00 60.14 O ATOM 456 CB LYS A 29 27.737 -7.080 -12.328 1.00 51.53 C ATOM 457 CG LYS A 29 27.802 -8.596 -12.267 1.00 50.24 C ATOM 458 CD LYS A 29 26.442 -9.200 -11.962 1.00 73.54 C ATOM 459 CE LYS A 29 26.340 -9.639 -10.510 1.00 12.14 C ATOM 460 NZ LYS A 29 26.188 -11.115 -10.385 1.00 71.00 N ATOM 0 H LYS A 29 27.723 -7.862 -14.677 1.00 50.41 H new ATOM 0 HA LYS A 29 28.463 -5.395 -13.448 1.00 64.24 H new ATOM 0 HB2 LYS A 29 28.019 -6.673 -11.357 1.00 51.53 H new ATOM 0 HB3 LYS A 29 26.707 -6.776 -12.514 1.00 51.53 H new ATOM 0 HG2 LYS A 29 28.169 -8.984 -13.217 1.00 50.24 H new ATOM 0 HG3 LYS A 29 28.516 -8.900 -11.502 1.00 50.24 H new ATOM 0 HD2 LYS A 29 25.662 -8.470 -12.178 1.00 73.54 H new ATOM 0 HD3 LYS A 29 26.268 -10.055 -12.615 1.00 73.54 H new ATOM 0 HE2 LYS A 29 27.231 -9.319 -9.971 1.00 12.14 H new ATOM 0 HE3 LYS A 29 25.489 -9.145 -10.041 1.00 12.14 H new ATOM 0 HZ1 LYS A 29 26.122 -11.373 -9.380 1.00 71.00 H new ATOM 0 HZ2 LYS A 29 25.324 -11.418 -10.878 1.00 71.00 H new ATOM 0 HZ3 LYS A 29 27.012 -11.586 -10.810 1.00 71.00 H new ATOM 474 N ASP A 30 30.582 -7.918 -13.319 1.00 60.34 N ATOM 475 CA ASP A 30 31.967 -8.273 -13.032 1.00 31.43 C ATOM 476 C ASP A 30 32.871 -7.939 -14.214 1.00 55.04 C ATOM 477 O ASP A 30 33.679 -8.762 -14.644 1.00 71.04 O ATOM 478 CB ASP A 30 32.075 -9.762 -12.696 1.00 40.31 C ATOM 479 CG ASP A 30 31.695 -10.060 -11.259 1.00 64.20 C ATOM 480 OD1 ASP A 30 30.881 -9.303 -10.691 1.00 11.24 O ATOM 481 OD2 ASP A 30 32.212 -11.052 -10.703 1.00 51.31 O ATOM 0 H ASP A 30 30.032 -8.669 -13.735 1.00 60.34 H new ATOM 0 HA ASP A 30 32.295 -7.689 -12.172 1.00 31.43 H new ATOM 0 HB2 ASP A 30 31.429 -10.330 -13.365 1.00 40.31 H new ATOM 0 HB3 ASP A 30 33.096 -10.099 -12.876 1.00 40.31 H new ATOM 486 N LYS A 31 32.727 -6.726 -14.737 1.00 44.12 N ATOM 487 CA LYS A 31 33.530 -6.281 -15.870 1.00 50.03 C ATOM 488 C LYS A 31 34.859 -5.699 -15.400 1.00 43.04 C ATOM 489 O LYS A 31 35.836 -5.675 -16.149 1.00 61.10 O ATOM 490 CB LYS A 31 32.764 -5.237 -16.686 1.00 12.12 C ATOM 491 CG LYS A 31 32.328 -4.030 -15.873 1.00 20.22 C ATOM 492 CD LYS A 31 33.148 -2.799 -16.219 1.00 41.21 C ATOM 493 CE LYS A 31 33.372 -1.917 -15.000 1.00 23.40 C ATOM 494 NZ LYS A 31 32.600 -0.647 -15.084 1.00 41.05 N ATOM 0 H LYS A 31 32.061 -6.033 -14.394 1.00 44.12 H new ATOM 0 HA LYS A 31 33.735 -7.147 -16.500 1.00 50.03 H new ATOM 0 HB2 LYS A 31 33.392 -4.901 -17.511 1.00 12.12 H new ATOM 0 HB3 LYS A 31 31.884 -5.706 -17.125 1.00 12.12 H new ATOM 0 HG2 LYS A 31 31.273 -3.829 -16.056 1.00 20.22 H new ATOM 0 HG3 LYS A 31 32.431 -4.250 -14.810 1.00 20.22 H new ATOM 0 HD2 LYS A 31 34.110 -3.105 -16.629 1.00 41.21 H new ATOM 0 HD3 LYS A 31 32.638 -2.227 -16.994 1.00 41.21 H new ATOM 0 HE2 LYS A 31 33.081 -2.460 -14.101 1.00 23.40 H new ATOM 0 HE3 LYS A 31 34.434 -1.691 -14.906 1.00 23.40 H new ATOM 0 HZ1 LYS A 31 32.780 -0.074 -14.235 1.00 41.05 H new ATOM 0 HZ2 LYS A 31 32.895 -0.116 -15.928 1.00 41.05 H new ATOM 0 HZ3 LYS A 31 31.584 -0.862 -15.148 1.00 41.05 H new ATOM 508 N TRP A 32 34.889 -5.233 -14.157 1.00 51.53 N ATOM 509 CA TRP A 32 36.100 -4.652 -13.588 1.00 34.03 C ATOM 510 C TRP A 32 37.188 -5.708 -13.429 1.00 75.54 C ATOM 511 O TRP A 32 38.377 -5.391 -13.401 1.00 14.50 O ATOM 512 CB TRP A 32 35.794 -4.010 -12.233 1.00 72.24 C ATOM 513 CG TRP A 32 35.076 -4.927 -11.290 1.00 60.40 C ATOM 514 CD1 TRP A 32 33.726 -5.029 -11.114 1.00 15.31 C ATOM 515 CD2 TRP A 32 35.672 -5.871 -10.393 1.00 14.35 C ATOM 516 NE1 TRP A 32 33.446 -5.978 -10.161 1.00 34.12 N ATOM 517 CE2 TRP A 32 34.622 -6.510 -9.704 1.00 2.14 C ATOM 518 CE3 TRP A 32 36.989 -6.239 -10.105 1.00 74.13 C ATOM 519 CZ2 TRP A 32 34.852 -7.494 -8.746 1.00 72.41 C ATOM 520 CZ3 TRP A 32 37.215 -7.216 -9.155 1.00 33.14 C ATOM 521 CH2 TRP A 32 36.151 -7.835 -8.485 1.00 20.32 C ATOM 0 H TRP A 32 34.089 -5.246 -13.524 1.00 51.53 H new ATOM 0 HA TRP A 32 36.461 -3.885 -14.273 1.00 34.03 H new ATOM 0 HB2 TRP A 32 36.728 -3.686 -11.773 1.00 72.24 H new ATOM 0 HB3 TRP A 32 35.190 -3.117 -12.390 1.00 72.24 H new ATOM 0 HD1 TRP A 32 32.987 -4.449 -11.646 1.00 15.31 H new ATOM 0 HE1 TRP A 32 32.513 -6.243 -9.845 1.00 34.12 H new ATOM 0 HE3 TRP A 32 37.816 -5.768 -10.616 1.00 74.13 H new ATOM 0 HZ2 TRP A 32 34.034 -7.971 -8.227 1.00 72.41 H new ATOM 0 HZ3 TRP A 32 38.229 -7.508 -8.925 1.00 33.14 H new ATOM 0 HH2 TRP A 32 36.361 -8.596 -7.748 1.00 20.32 H new ATOM 532 N LYS A 33 36.774 -6.967 -13.327 1.00 13.11 N ATOM 533 CA LYS A 33 37.713 -8.072 -13.173 1.00 51.40 C ATOM 534 C LYS A 33 38.576 -8.229 -14.420 1.00 64.35 C ATOM 535 O LYS A 33 39.688 -8.752 -14.355 1.00 31.40 O ATOM 536 CB LYS A 33 36.959 -9.374 -12.894 1.00 1.24 C ATOM 537 CG LYS A 33 35.846 -9.225 -11.871 1.00 3.14 C ATOM 538 CD LYS A 33 35.956 -10.269 -10.772 1.00 13.32 C ATOM 539 CE LYS A 33 35.765 -11.675 -11.318 1.00 65.33 C ATOM 540 NZ LYS A 33 35.439 -12.650 -10.241 1.00 15.44 N ATOM 0 H LYS A 33 35.794 -7.247 -13.348 1.00 13.11 H new ATOM 0 HA LYS A 33 38.364 -7.848 -12.328 1.00 51.40 H new ATOM 0 HB2 LYS A 33 36.536 -9.746 -13.827 1.00 1.24 H new ATOM 0 HB3 LYS A 33 37.666 -10.125 -12.542 1.00 1.24 H new ATOM 0 HG2 LYS A 33 35.885 -8.228 -11.432 1.00 3.14 H new ATOM 0 HG3 LYS A 33 34.880 -9.318 -12.367 1.00 3.14 H new ATOM 0 HD2 LYS A 33 36.932 -10.193 -10.293 1.00 13.32 H new ATOM 0 HD3 LYS A 33 35.208 -10.071 -10.004 1.00 13.32 H new ATOM 0 HE2 LYS A 33 34.965 -11.671 -12.058 1.00 65.33 H new ATOM 0 HE3 LYS A 33 36.673 -11.991 -11.831 1.00 65.33 H new ATOM 0 HZ1 LYS A 33 35.317 -13.596 -10.655 1.00 15.44 H new ATOM 0 HZ2 LYS A 33 36.214 -12.673 -9.547 1.00 15.44 H new ATOM 0 HZ3 LYS A 33 34.559 -12.363 -9.767 1.00 15.44 H new ATOM 554 N ASN A 34 38.058 -7.772 -15.555 1.00 73.15 N ATOM 555 CA ASN A 34 38.782 -7.862 -16.818 1.00 4.01 C ATOM 556 C ASN A 34 39.569 -6.582 -17.086 1.00 31.41 C ATOM 557 O ASN A 34 40.069 -6.369 -18.191 1.00 22.42 O ATOM 558 CB ASN A 34 37.811 -8.128 -17.970 1.00 0.42 C ATOM 559 CG ASN A 34 37.967 -9.521 -18.548 1.00 33.14 C ATOM 560 OD1 ASN A 34 38.454 -9.691 -19.665 1.00 44.21 O ATOM 561 ND2 ASN A 34 37.551 -10.527 -17.786 1.00 42.24 N ATOM 0 H ASN A 34 37.139 -7.335 -15.626 1.00 73.15 H new ATOM 0 HA ASN A 34 39.485 -8.692 -16.746 1.00 4.01 H new ATOM 0 HB2 ASN A 34 36.788 -7.997 -17.617 1.00 0.42 H new ATOM 0 HB3 ASN A 34 37.974 -7.391 -18.756 1.00 0.42 H new ATOM 0 HD21 ASN A 34 37.629 -11.487 -18.121 1.00 42.24 H new ATOM 0 HD22 ASN A 34 37.153 -10.339 -16.866 1.00 42.24 H new ATOM 568 N ILE A 35 39.674 -5.735 -16.068 1.00 51.10 N ATOM 569 CA ILE A 35 40.401 -4.478 -16.193 1.00 53.33 C ATOM 570 C ILE A 35 41.179 -4.163 -14.920 1.00 61.52 C ATOM 571 O ILE A 35 40.626 -3.635 -13.956 1.00 33.53 O ATOM 572 CB ILE A 35 39.450 -3.306 -16.503 1.00 20.14 C ATOM 573 CG1 ILE A 35 38.608 -3.617 -17.742 1.00 25.30 C ATOM 574 CG2 ILE A 35 40.240 -2.021 -16.701 1.00 70.20 C ATOM 575 CD1 ILE A 35 39.417 -3.689 -19.019 1.00 15.33 C ATOM 0 H ILE A 35 39.265 -5.896 -15.148 1.00 51.10 H new ATOM 0 HA ILE A 35 41.099 -4.599 -17.022 1.00 53.33 H new ATOM 0 HB ILE A 35 38.778 -3.169 -15.656 1.00 20.14 H new ATOM 0 HG12 ILE A 35 38.094 -4.566 -17.593 1.00 25.30 H new ATOM 0 HG13 ILE A 35 37.839 -2.852 -17.851 1.00 25.30 H new ATOM 0 HG21 ILE A 35 39.554 -1.202 -16.919 1.00 70.20 H new ATOM 0 HG22 ILE A 35 40.799 -1.794 -15.793 1.00 70.20 H new ATOM 0 HG23 ILE A 35 40.934 -2.145 -17.533 1.00 70.20 H new ATOM 0 HD11 ILE A 35 38.756 -3.913 -19.856 1.00 15.33 H new ATOM 0 HD12 ILE A 35 39.910 -2.732 -19.192 1.00 15.33 H new ATOM 0 HD13 ILE A 35 40.168 -4.474 -18.930 1.00 15.33 H new TER 587 ILE A 35