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 Set 1.1: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 28 ASN :FLIP amide:sc= -0.574 F(o=-1.3,f=-0.57) USER MOD Single : A 1 LYS N :NH3+ -157:sc= -0.134 (180deg=-0.577) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0475) 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= -0.511 X(o=-0.51,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 9.544 3.359 -12.943 1.00 60.51 N ATOM 2 CA LYS A 1 10.817 3.951 -12.551 1.00 3.10 C ATOM 3 C LYS A 1 11.976 3.014 -12.875 1.00 23.22 C ATOM 4 O LYS A 1 13.104 3.456 -13.093 1.00 3.52 O ATOM 5 CB LYS A 1 10.813 4.276 -11.056 1.00 10.34 C ATOM 6 CG LYS A 1 10.986 5.755 -10.754 1.00 73.11 C ATOM 7 CD LYS A 1 11.148 6.005 -9.264 1.00 63.02 C ATOM 8 CE LYS A 1 12.557 5.675 -8.794 1.00 52.22 C ATOM 9 NZ LYS A 1 12.927 6.441 -7.572 1.00 20.33 N ATOM 0 H1 LYS A 1 8.840 4.111 -13.085 1.00 60.51 H new ATOM 0 H2 LYS A 1 9.666 2.828 -13.829 1.00 60.51 H new ATOM 0 H3 LYS A 1 9.216 2.715 -12.195 1.00 60.51 H new ATOM 0 HA LYS A 1 10.949 4.873 -13.117 1.00 3.10 H new ATOM 0 HB2 LYS A 1 9.875 3.932 -10.621 1.00 10.34 H new ATOM 0 HB3 LYS A 1 11.613 3.718 -10.569 1.00 10.34 H new ATOM 0 HG2 LYS A 1 11.859 6.136 -11.285 1.00 73.11 H new ATOM 0 HG3 LYS A 1 10.122 6.306 -11.124 1.00 73.11 H new ATOM 0 HD2 LYS A 1 10.924 7.049 -9.043 1.00 63.02 H new ATOM 0 HD3 LYS A 1 10.428 5.401 -8.712 1.00 63.02 H new ATOM 0 HE2 LYS A 1 12.631 4.607 -8.589 1.00 52.22 H new ATOM 0 HE3 LYS A 1 13.267 5.897 -9.591 1.00 52.22 H new ATOM 0 HZ1 LYS A 1 13.894 6.188 -7.283 1.00 20.33 H new ATOM 0 HZ2 LYS A 1 12.881 7.460 -7.774 1.00 20.33 H new ATOM 0 HZ3 LYS A 1 12.265 6.210 -6.804 1.00 20.33 H new ATOM 23 N LYS A 2 11.691 1.716 -12.906 1.00 40.52 N ATOM 24 CA LYS A 2 12.708 0.716 -13.206 1.00 63.13 C ATOM 25 C LYS A 2 12.072 -0.646 -13.467 1.00 0.33 C ATOM 26 O LYS A 2 10.848 -0.774 -13.493 1.00 21.31 O ATOM 27 CB LYS A 2 13.707 0.612 -12.051 1.00 72.43 C ATOM 28 CG LYS A 2 13.097 0.079 -10.766 1.00 71.22 C ATOM 29 CD LYS A 2 13.363 1.010 -9.595 1.00 71.40 C ATOM 30 CE LYS A 2 14.839 1.038 -9.229 1.00 70.33 C ATOM 31 NZ LYS A 2 15.094 1.859 -8.013 1.00 74.52 N ATOM 0 H LYS A 2 10.763 1.332 -12.727 1.00 40.52 H new ATOM 0 HA LYS A 2 13.235 1.029 -14.107 1.00 63.13 H new ATOM 0 HB2 LYS A 2 14.529 -0.038 -12.350 1.00 72.43 H new ATOM 0 HB3 LYS A 2 14.133 1.597 -11.860 1.00 72.43 H new ATOM 0 HG2 LYS A 2 12.022 -0.045 -10.897 1.00 71.22 H new ATOM 0 HG3 LYS A 2 13.508 -0.907 -10.549 1.00 71.22 H new ATOM 0 HD2 LYS A 2 13.030 2.017 -9.847 1.00 71.40 H new ATOM 0 HD3 LYS A 2 12.779 0.688 -8.733 1.00 71.40 H new ATOM 0 HE2 LYS A 2 15.191 0.020 -9.060 1.00 70.33 H new ATOM 0 HE3 LYS A 2 15.413 1.439 -10.065 1.00 70.33 H new ATOM 0 HZ1 LYS A 2 16.111 1.853 -7.797 1.00 74.52 H new ATOM 0 HZ2 LYS A 2 14.782 2.837 -8.182 1.00 74.52 H new ATOM 0 HZ3 LYS A 2 14.567 1.462 -7.209 1.00 74.52 H new ATOM 45 N TRP A 3 12.910 -1.658 -13.657 1.00 60.21 N ATOM 46 CA TRP A 3 12.428 -3.011 -13.914 1.00 4.22 C ATOM 47 C TRP A 3 12.036 -3.705 -12.614 1.00 51.32 C ATOM 48 O TRP A 3 11.200 -4.608 -12.610 1.00 5.25 O ATOM 49 CB TRP A 3 13.500 -3.827 -14.639 1.00 10.23 C ATOM 50 CG TRP A 3 13.219 -4.012 -16.099 1.00 41.53 C ATOM 51 CD1 TRP A 3 13.036 -3.028 -17.029 1.00 73.54 C ATOM 52 CD2 TRP A 3 13.088 -5.255 -16.796 1.00 72.41 C ATOM 53 NE1 TRP A 3 12.798 -3.586 -18.262 1.00 63.35 N ATOM 54 CE2 TRP A 3 12.826 -4.951 -18.146 1.00 50.13 C ATOM 55 CE3 TRP A 3 13.168 -6.596 -16.411 1.00 60.45 C ATOM 56 CZ2 TRP A 3 12.643 -5.939 -19.110 1.00 22.11 C ATOM 57 CZ3 TRP A 3 12.986 -7.576 -17.369 1.00 40.00 C ATOM 58 CH2 TRP A 3 12.727 -7.244 -18.705 1.00 51.44 C ATOM 0 H TRP A 3 13.926 -1.568 -13.638 1.00 60.21 H new ATOM 0 HA TRP A 3 11.544 -2.941 -14.548 1.00 4.22 H new ATOM 0 HB2 TRP A 3 14.464 -3.332 -14.522 1.00 10.23 H new ATOM 0 HB3 TRP A 3 13.584 -4.805 -14.166 1.00 10.23 H new ATOM 0 HD1 TRP A 3 13.073 -1.968 -16.825 1.00 73.54 H new ATOM 0 HE1 TRP A 3 12.628 -3.068 -19.124 1.00 63.35 H new ATOM 0 HE3 TRP A 3 13.368 -6.862 -15.384 1.00 60.45 H new ATOM 0 HZ2 TRP A 3 12.442 -5.685 -20.140 1.00 22.11 H new ATOM 0 HZ3 TRP A 3 13.045 -8.616 -17.082 1.00 40.00 H new ATOM 0 HH2 TRP A 3 12.591 -8.033 -19.430 1.00 51.44 H new ATOM 69 N GLY A 4 12.644 -3.276 -11.512 1.00 63.52 N ATOM 70 CA GLY A 4 12.344 -3.868 -10.222 1.00 24.44 C ATOM 71 C GLY A 4 10.858 -3.890 -9.925 1.00 1.42 C ATOM 72 O GLY A 4 10.366 -4.796 -9.252 1.00 52.52 O ATOM 0 H GLY A 4 13.339 -2.529 -11.490 1.00 63.52 H new ATOM 0 HA2 GLY A 4 12.732 -4.886 -10.194 1.00 24.44 H new ATOM 0 HA3 GLY A 4 12.859 -3.309 -9.441 1.00 24.44 H new ATOM 76 N TRP A 5 10.142 -2.889 -10.426 1.00 24.35 N ATOM 77 CA TRP A 5 8.703 -2.796 -10.208 1.00 61.15 C ATOM 78 C TRP A 5 7.949 -3.724 -11.154 1.00 53.14 C ATOM 79 O TRP A 5 6.896 -4.260 -10.805 1.00 63.55 O ATOM 80 CB TRP A 5 8.230 -1.355 -10.403 1.00 14.34 C ATOM 81 CG TRP A 5 9.082 -0.348 -9.690 1.00 71.53 C ATOM 82 CD1 TRP A 5 9.644 0.775 -10.226 1.00 2.04 C ATOM 83 CD2 TRP A 5 9.470 -0.376 -8.312 1.00 73.14 C ATOM 84 NE1 TRP A 5 10.358 1.448 -9.263 1.00 63.45 N ATOM 85 CE2 TRP A 5 10.266 0.762 -8.081 1.00 3.41 C ATOM 86 CE3 TRP A 5 9.220 -1.250 -7.251 1.00 61.32 C ATOM 87 CZ2 TRP A 5 10.814 1.046 -6.833 1.00 22.03 C ATOM 88 CZ3 TRP A 5 9.765 -0.968 -6.013 1.00 51.31 C ATOM 89 CH2 TRP A 5 10.554 0.173 -5.812 1.00 33.22 C ATOM 0 H TRP A 5 10.534 -2.131 -10.985 1.00 24.35 H new ATOM 0 HA TRP A 5 8.494 -3.104 -9.184 1.00 61.15 H new ATOM 0 HB2 TRP A 5 8.222 -1.124 -11.468 1.00 14.34 H new ATOM 0 HB3 TRP A 5 7.203 -1.266 -10.050 1.00 14.34 H new ATOM 0 HD1 TRP A 5 9.543 1.088 -11.255 1.00 2.04 H new ATOM 0 HE1 TRP A 5 10.873 2.317 -9.406 1.00 63.45 H new ATOM 0 HE3 TRP A 5 8.612 -2.130 -7.396 1.00 61.32 H new ATOM 0 HZ2 TRP A 5 11.423 1.924 -6.676 1.00 22.03 H new ATOM 0 HZ3 TRP A 5 9.580 -1.638 -5.186 1.00 51.31 H new ATOM 0 HH2 TRP A 5 10.965 0.367 -4.832 1.00 33.22 H new ATOM 100 N LEU A 6 8.492 -3.909 -12.352 1.00 60.34 N ATOM 101 CA LEU A 6 7.870 -4.774 -13.349 1.00 54.53 C ATOM 102 C LEU A 6 8.110 -6.244 -13.021 1.00 53.35 C ATOM 103 O LEU A 6 7.328 -7.112 -13.408 1.00 15.32 O ATOM 104 CB LEU A 6 8.416 -4.454 -14.742 1.00 75.01 C ATOM 105 CG LEU A 6 7.875 -3.184 -15.400 1.00 1.23 C ATOM 106 CD1 LEU A 6 9.011 -2.226 -15.725 1.00 20.23 C ATOM 107 CD2 LEU A 6 7.088 -3.527 -16.656 1.00 44.03 C ATOM 0 H LEU A 6 9.362 -3.472 -12.657 1.00 60.34 H new ATOM 0 HA LEU A 6 6.796 -4.589 -13.335 1.00 54.53 H new ATOM 0 HB2 LEU A 6 9.501 -4.370 -14.675 1.00 75.01 H new ATOM 0 HB3 LEU A 6 8.201 -5.298 -15.397 1.00 75.01 H new ATOM 0 HG LEU A 6 7.202 -2.692 -14.697 1.00 1.23 H new ATOM 0 HD11 LEU A 6 8.607 -1.328 -16.193 1.00 20.23 H new ATOM 0 HD12 LEU A 6 9.532 -1.954 -14.807 1.00 20.23 H new ATOM 0 HD13 LEU A 6 9.709 -2.708 -16.409 1.00 20.23 H new ATOM 0 HD21 LEU A 6 6.711 -2.611 -17.111 1.00 44.03 H new ATOM 0 HD22 LEU A 6 7.738 -4.042 -17.363 1.00 44.03 H new ATOM 0 HD23 LEU A 6 6.251 -4.174 -16.395 1.00 44.03 H new ATOM 119 N ALA A 7 9.195 -6.515 -12.305 1.00 24.22 N ATOM 120 CA ALA A 7 9.536 -7.880 -11.921 1.00 41.51 C ATOM 121 C ALA A 7 8.443 -8.495 -11.054 1.00 61.11 C ATOM 122 O ALA A 7 8.293 -9.716 -11.002 1.00 40.22 O ATOM 123 CB ALA A 7 10.870 -7.905 -11.189 1.00 52.53 C ATOM 0 H ALA A 7 9.854 -5.808 -11.979 1.00 24.22 H new ATOM 0 HA ALA A 7 9.622 -8.476 -12.829 1.00 41.51 H new ATOM 0 HB1 ALA A 7 11.112 -8.930 -10.908 1.00 52.53 H new ATOM 0 HB2 ALA A 7 11.650 -7.514 -11.842 1.00 52.53 H new ATOM 0 HB3 ALA A 7 10.804 -7.289 -10.292 1.00 52.53 H new ATOM 129 N TRP A 8 7.684 -7.643 -10.375 1.00 34.30 N ATOM 130 CA TRP A 8 6.604 -8.105 -9.509 1.00 43.31 C ATOM 131 C TRP A 8 5.274 -8.110 -10.254 1.00 32.54 C ATOM 132 O TRP A 8 4.282 -8.655 -9.768 1.00 62.44 O ATOM 133 CB TRP A 8 6.504 -7.217 -8.267 1.00 63.24 C ATOM 134 CG TRP A 8 7.613 -7.444 -7.284 1.00 52.24 C ATOM 135 CD1 TRP A 8 8.865 -7.916 -7.556 1.00 43.50 C ATOM 136 CD2 TRP A 8 7.567 -7.210 -5.873 1.00 24.04 C ATOM 137 NE1 TRP A 8 9.601 -7.989 -6.398 1.00 63.10 N ATOM 138 CE2 TRP A 8 8.828 -7.561 -5.351 1.00 61.15 C ATOM 139 CE3 TRP A 8 6.585 -6.736 -4.998 1.00 65.44 C ATOM 140 CZ2 TRP A 8 9.129 -7.454 -3.996 1.00 41.13 C ATOM 141 CZ3 TRP A 8 6.886 -6.631 -3.654 1.00 13.13 C ATOM 142 CH2 TRP A 8 8.149 -6.987 -3.163 1.00 71.51 C ATOM 0 H TRP A 8 7.796 -6.630 -10.407 1.00 34.30 H new ATOM 0 HA TRP A 8 6.830 -9.126 -9.200 1.00 43.31 H new ATOM 0 HB2 TRP A 8 6.510 -6.171 -8.575 1.00 63.24 H new ATOM 0 HB3 TRP A 8 5.549 -7.399 -7.775 1.00 63.24 H new ATOM 0 HD1 TRP A 8 9.224 -8.191 -8.537 1.00 43.50 H new ATOM 0 HE1 TRP A 8 10.567 -8.310 -6.329 1.00 63.10 H new ATOM 0 HE3 TRP A 8 5.609 -6.457 -5.366 1.00 65.44 H new ATOM 0 HZ2 TRP A 8 10.102 -7.730 -3.616 1.00 41.13 H new ATOM 0 HZ3 TRP A 8 6.134 -6.268 -2.969 1.00 13.13 H new ATOM 0 HH2 TRP A 8 8.353 -6.891 -2.107 1.00 71.51 H new ATOM 153 N VAL A 9 5.259 -7.501 -11.435 1.00 33.02 N ATOM 154 CA VAL A 9 4.050 -7.437 -12.247 1.00 35.51 C ATOM 155 C VAL A 9 3.788 -8.766 -12.948 1.00 42.44 C ATOM 156 O VAL A 9 2.657 -9.249 -12.982 1.00 74.35 O ATOM 157 CB VAL A 9 4.141 -6.321 -13.304 1.00 1.44 C ATOM 158 CG1 VAL A 9 2.902 -6.316 -14.185 1.00 73.53 C ATOM 159 CG2 VAL A 9 4.334 -4.968 -12.634 1.00 35.53 C ATOM 0 H VAL A 9 6.071 -7.045 -11.851 1.00 33.02 H new ATOM 0 HA VAL A 9 3.225 -7.218 -11.569 1.00 35.51 H new ATOM 0 HB VAL A 9 5.006 -6.515 -13.938 1.00 1.44 H new ATOM 0 HG11 VAL A 9 2.985 -5.520 -14.925 1.00 73.53 H new ATOM 0 HG12 VAL A 9 2.813 -7.276 -14.693 1.00 73.53 H new ATOM 0 HG13 VAL A 9 2.018 -6.148 -13.569 1.00 73.53 H new ATOM 0 HG21 VAL A 9 4.396 -4.191 -13.395 1.00 35.53 H new ATOM 0 HG22 VAL A 9 3.490 -4.764 -11.976 1.00 35.53 H new ATOM 0 HG23 VAL A 9 5.255 -4.979 -12.050 1.00 35.53 H new ATOM 169 N ASP A 10 4.842 -9.351 -13.507 1.00 1.33 N ATOM 170 CA ASP A 10 4.728 -10.625 -14.207 1.00 14.22 C ATOM 171 C ASP A 10 6.106 -11.187 -14.541 1.00 52.22 C ATOM 172 O ASP A 10 6.545 -11.177 -15.691 1.00 51.14 O ATOM 173 CB ASP A 10 3.908 -10.456 -15.487 1.00 13.21 C ATOM 174 CG ASP A 10 2.448 -10.818 -15.292 1.00 5.32 C ATOM 175 OD1 ASP A 10 2.173 -11.804 -14.578 1.00 33.31 O ATOM 176 OD2 ASP A 10 1.582 -10.115 -15.854 1.00 2.13 O ATOM 0 H ASP A 10 5.785 -8.963 -13.489 1.00 1.33 H new ATOM 0 HA ASP A 10 4.219 -11.329 -13.549 1.00 14.22 H new ATOM 0 HB2 ASP A 10 3.981 -9.423 -15.828 1.00 13.21 H new ATOM 0 HB3 ASP A 10 4.333 -11.081 -16.272 1.00 13.21 H new ATOM 181 N PRO A 11 6.806 -11.688 -13.513 1.00 61.20 N ATOM 182 CA PRO A 11 8.145 -12.263 -13.673 1.00 20.32 C ATOM 183 C PRO A 11 8.121 -13.587 -14.429 1.00 72.22 C ATOM 184 O PRO A 11 9.059 -13.916 -15.154 1.00 42.45 O ATOM 185 CB PRO A 11 8.613 -12.480 -12.231 1.00 55.44 C ATOM 186 CG PRO A 11 7.356 -12.619 -11.443 1.00 4.34 C ATOM 187 CD PRO A 11 6.345 -11.733 -12.115 1.00 53.14 C ATOM 0 HA PRO A 11 8.799 -11.615 -14.255 1.00 20.32 H new ATOM 0 HB2 PRO A 11 9.234 -13.372 -12.146 1.00 55.44 H new ATOM 0 HB3 PRO A 11 9.211 -11.640 -11.878 1.00 55.44 H new ATOM 0 HG2 PRO A 11 7.018 -13.655 -11.428 1.00 4.34 H new ATOM 0 HG3 PRO A 11 7.510 -12.319 -10.407 1.00 4.34 H new ATOM 0 HD2 PRO A 11 5.338 -12.142 -12.037 1.00 53.14 H new ATOM 0 HD3 PRO A 11 6.321 -10.739 -11.668 1.00 53.14 H new ATOM 195 N ALA A 12 7.042 -14.343 -14.255 1.00 73.13 N ATOM 196 CA ALA A 12 6.895 -15.630 -14.924 1.00 33.03 C ATOM 197 C ALA A 12 6.850 -15.460 -16.438 1.00 53.15 C ATOM 198 O ALA A 12 7.489 -16.210 -17.176 1.00 73.34 O ATOM 199 CB ALA A 12 5.641 -16.340 -14.433 1.00 5.41 C ATOM 0 H ALA A 12 6.257 -14.087 -13.657 1.00 73.13 H new ATOM 0 HA ALA A 12 7.764 -16.240 -14.679 1.00 33.03 H new ATOM 0 HB1 ALA A 12 5.544 -17.300 -14.941 1.00 5.41 H new ATOM 0 HB2 ALA A 12 5.713 -16.504 -13.358 1.00 5.41 H new ATOM 0 HB3 ALA A 12 4.767 -15.725 -14.648 1.00 5.41 H new ATOM 205 N TYR A 13 6.091 -14.470 -16.895 1.00 72.25 N ATOM 206 CA TYR A 13 5.960 -14.204 -18.323 1.00 40.10 C ATOM 207 C TYR A 13 7.330 -14.086 -18.983 1.00 65.31 C ATOM 208 O TYR A 13 7.691 -14.895 -19.837 1.00 71.33 O ATOM 209 CB TYR A 13 5.159 -12.921 -18.553 1.00 3.04 C ATOM 210 CG TYR A 13 4.390 -12.912 -19.854 1.00 60.13 C ATOM 211 CD1 TYR A 13 5.034 -13.130 -21.066 1.00 44.50 C ATOM 212 CD2 TYR A 13 3.019 -12.685 -19.873 1.00 25.33 C ATOM 213 CE1 TYR A 13 4.336 -13.122 -22.258 1.00 11.40 C ATOM 214 CE2 TYR A 13 2.313 -12.677 -21.060 1.00 33.14 C ATOM 215 CZ TYR A 13 2.975 -12.896 -22.249 1.00 43.55 C ATOM 216 OH TYR A 13 2.275 -12.887 -23.434 1.00 41.21 O ATOM 0 H TYR A 13 5.557 -13.839 -16.298 1.00 72.25 H new ATOM 0 HA TYR A 13 5.430 -15.042 -18.775 1.00 40.10 H new ATOM 0 HB2 TYR A 13 4.461 -12.786 -17.727 1.00 3.04 H new ATOM 0 HB3 TYR A 13 5.840 -12.070 -18.537 1.00 3.04 H new ATOM 0 HD1 TYR A 13 6.099 -13.309 -21.076 1.00 44.50 H new ATOM 0 HD2 TYR A 13 2.497 -12.512 -18.944 1.00 25.33 H new ATOM 0 HE1 TYR A 13 4.852 -13.292 -23.191 1.00 11.40 H new ATOM 0 HE2 TYR A 13 1.248 -12.500 -21.057 1.00 33.14 H new ATOM 0 HH TYR A 13 1.327 -12.715 -23.253 1.00 41.21 H new ATOM 226 N GLU A 14 8.090 -13.073 -18.579 1.00 53.41 N ATOM 227 CA GLU A 14 9.421 -12.848 -19.131 1.00 74.41 C ATOM 228 C GLU A 14 10.321 -14.056 -18.888 1.00 72.42 C ATOM 229 O GLU A 14 11.196 -14.365 -19.697 1.00 70.23 O ATOM 230 CB GLU A 14 10.049 -11.598 -18.513 1.00 42.33 C ATOM 231 CG GLU A 14 10.134 -11.645 -16.997 1.00 13.51 C ATOM 232 CD GLU A 14 11.362 -12.384 -16.504 1.00 30.44 C ATOM 233 OE1 GLU A 14 12.250 -12.678 -17.331 1.00 22.25 O ATOM 234 OE2 GLU A 14 11.435 -12.669 -15.290 1.00 35.13 O ATOM 0 H GLU A 14 7.807 -12.395 -17.871 1.00 53.41 H new ATOM 0 HA GLU A 14 9.321 -12.701 -20.206 1.00 74.41 H new ATOM 0 HB2 GLU A 14 11.051 -11.466 -18.921 1.00 42.33 H new ATOM 0 HB3 GLU A 14 9.467 -10.725 -18.809 1.00 42.33 H new ATOM 0 HG2 GLU A 14 10.146 -10.628 -16.606 1.00 13.51 H new ATOM 0 HG3 GLU A 14 9.241 -12.128 -16.602 1.00 13.51 H new ATOM 241 N PHE A 15 10.100 -14.736 -17.768 1.00 13.12 N ATOM 242 CA PHE A 15 10.891 -15.909 -17.416 1.00 61.24 C ATOM 243 C PHE A 15 10.684 -17.029 -18.432 1.00 33.23 C ATOM 244 O PHE A 15 11.610 -17.778 -18.743 1.00 20.40 O ATOM 245 CB PHE A 15 10.520 -16.400 -16.016 1.00 31.34 C ATOM 246 CG PHE A 15 11.376 -17.536 -15.532 1.00 11.30 C ATOM 247 CD1 PHE A 15 11.051 -18.847 -15.841 1.00 55.41 C ATOM 248 CD2 PHE A 15 12.506 -17.292 -14.768 1.00 33.23 C ATOM 249 CE1 PHE A 15 11.836 -19.894 -15.398 1.00 3.20 C ATOM 250 CE2 PHE A 15 13.295 -18.335 -14.322 1.00 65.32 C ATOM 251 CZ PHE A 15 12.960 -19.638 -14.637 1.00 13.34 C ATOM 0 H PHE A 15 9.379 -14.495 -17.088 1.00 13.12 H new ATOM 0 HA PHE A 15 11.943 -15.623 -17.426 1.00 61.24 H new ATOM 0 HB2 PHE A 15 10.602 -15.569 -15.315 1.00 31.34 H new ATOM 0 HB3 PHE A 15 9.477 -16.716 -16.015 1.00 31.34 H new ATOM 0 HD1 PHE A 15 10.173 -19.053 -16.435 1.00 55.41 H new ATOM 0 HD2 PHE A 15 12.773 -16.276 -14.518 1.00 33.23 H new ATOM 0 HE1 PHE A 15 11.571 -20.911 -15.646 1.00 3.20 H new ATOM 0 HE2 PHE A 15 14.173 -18.132 -13.727 1.00 65.32 H new ATOM 0 HZ PHE A 15 13.576 -20.454 -14.289 1.00 13.34 H new ATOM 261 N ILE A 16 9.462 -17.137 -18.944 1.00 2.25 N ATOM 262 CA ILE A 16 9.133 -18.164 -19.924 1.00 30.34 C ATOM 263 C ILE A 16 9.772 -17.860 -21.275 1.00 35.14 C ATOM 264 O ILE A 16 10.249 -18.761 -21.965 1.00 4.40 O ATOM 265 CB ILE A 16 7.610 -18.300 -20.107 1.00 52.42 C ATOM 266 CG1 ILE A 16 6.942 -18.645 -18.774 1.00 42.35 C ATOM 267 CG2 ILE A 16 7.295 -19.358 -21.154 1.00 35.14 C ATOM 268 CD1 ILE A 16 5.621 -17.941 -18.560 1.00 53.55 C ATOM 0 H ILE A 16 8.684 -16.526 -18.696 1.00 2.25 H new ATOM 0 HA ILE A 16 9.530 -19.104 -19.541 1.00 30.34 H new ATOM 0 HB ILE A 16 7.214 -17.345 -20.453 1.00 52.42 H new ATOM 0 HG12 ILE A 16 6.782 -19.722 -18.725 1.00 42.35 H new ATOM 0 HG13 ILE A 16 7.619 -18.386 -17.960 1.00 42.35 H new ATOM 0 HG21 ILE A 16 6.215 -19.443 -21.272 1.00 35.14 H new ATOM 0 HG22 ILE A 16 7.743 -19.073 -22.106 1.00 35.14 H new ATOM 0 HG23 ILE A 16 7.701 -20.318 -20.835 1.00 35.14 H new ATOM 0 HD11 ILE A 16 5.205 -18.233 -17.596 1.00 53.55 H new ATOM 0 HD12 ILE A 16 5.777 -16.862 -18.577 1.00 53.55 H new ATOM 0 HD13 ILE A 16 4.927 -18.220 -19.353 1.00 53.55 H new ATOM 280 N LYS A 17 9.778 -16.584 -21.646 1.00 30.41 N ATOM 281 CA LYS A 17 10.361 -16.159 -22.913 1.00 14.21 C ATOM 282 C LYS A 17 11.884 -16.149 -22.835 1.00 70.34 C ATOM 283 O LYS A 17 12.554 -16.932 -23.507 1.00 22.51 O ATOM 284 CB LYS A 17 9.850 -14.766 -23.291 1.00 31.45 C ATOM 285 CG LYS A 17 8.381 -14.550 -22.970 1.00 40.25 C ATOM 286 CD LYS A 17 7.760 -13.504 -23.882 1.00 20.44 C ATOM 287 CE LYS A 17 7.295 -14.115 -25.195 1.00 12.03 C ATOM 288 NZ LYS A 17 7.891 -13.422 -26.370 1.00 74.15 N ATOM 0 H LYS A 17 9.386 -15.826 -21.087 1.00 30.41 H new ATOM 0 HA LYS A 17 10.059 -16.871 -23.681 1.00 14.21 H new ATOM 0 HB2 LYS A 17 10.442 -14.016 -22.766 1.00 31.45 H new ATOM 0 HB3 LYS A 17 10.007 -14.607 -24.358 1.00 31.45 H new ATOM 0 HG2 LYS A 17 7.842 -15.492 -23.075 1.00 40.25 H new ATOM 0 HG3 LYS A 17 8.277 -14.237 -21.931 1.00 40.25 H new ATOM 0 HD2 LYS A 17 6.915 -13.036 -23.378 1.00 20.44 H new ATOM 0 HD3 LYS A 17 8.487 -12.717 -24.083 1.00 20.44 H new ATOM 0 HE2 LYS A 17 7.565 -15.171 -25.220 1.00 12.03 H new ATOM 0 HE3 LYS A 17 6.208 -14.063 -25.255 1.00 12.03 H new ATOM 0 HZ1 LYS A 17 7.550 -13.868 -27.246 1.00 74.15 H new ATOM 0 HZ2 LYS A 17 7.613 -12.420 -26.360 1.00 74.15 H new ATOM 0 HZ3 LYS A 17 8.928 -13.494 -26.326 1.00 74.15 H new ATOM 302 N GLY A 18 12.425 -15.258 -22.010 1.00 53.11 N ATOM 303 CA GLY A 18 13.865 -15.165 -21.859 1.00 41.22 C ATOM 304 C GLY A 18 14.445 -13.957 -22.569 1.00 24.44 C ATOM 305 O GLY A 18 15.418 -13.363 -22.103 1.00 50.02 O ATOM 0 H GLY A 18 11.891 -14.599 -21.443 1.00 53.11 H new ATOM 0 HA2 GLY A 18 14.114 -15.114 -20.799 1.00 41.22 H new ATOM 0 HA3 GLY A 18 14.328 -16.070 -22.252 1.00 41.22 H new ATOM 309 N PHE A 19 13.849 -13.594 -23.699 1.00 62.33 N ATOM 310 CA PHE A 19 14.315 -12.451 -24.476 1.00 73.31 C ATOM 311 C PHE A 19 13.397 -12.193 -25.667 1.00 72.24 C ATOM 312 O PHE A 19 12.665 -13.080 -26.105 1.00 32.03 O ATOM 313 CB PHE A 19 15.746 -12.687 -24.962 1.00 61.15 C ATOM 314 CG PHE A 19 15.893 -13.910 -25.821 1.00 65.53 C ATOM 315 CD1 PHE A 19 15.661 -13.847 -27.186 1.00 21.22 C ATOM 316 CD2 PHE A 19 16.265 -15.124 -25.264 1.00 51.53 C ATOM 317 CE1 PHE A 19 15.795 -14.972 -27.978 1.00 42.31 C ATOM 318 CE2 PHE A 19 16.401 -16.251 -26.052 1.00 21.42 C ATOM 319 CZ PHE A 19 16.167 -16.175 -27.411 1.00 11.13 C ATOM 0 H PHE A 19 13.042 -14.074 -24.098 1.00 62.33 H new ATOM 0 HA PHE A 19 14.299 -11.573 -23.830 1.00 73.31 H new ATOM 0 HB2 PHE A 19 16.078 -11.815 -25.525 1.00 61.15 H new ATOM 0 HB3 PHE A 19 16.404 -12.778 -24.098 1.00 61.15 H new ATOM 0 HD1 PHE A 19 15.372 -12.909 -27.636 1.00 21.22 H new ATOM 0 HD2 PHE A 19 16.451 -15.190 -24.202 1.00 51.53 H new ATOM 0 HE1 PHE A 19 15.609 -14.910 -29.040 1.00 42.31 H new ATOM 0 HE2 PHE A 19 16.690 -17.191 -25.605 1.00 21.42 H new ATOM 0 HZ PHE A 19 16.275 -17.054 -28.029 1.00 11.13 H new ATOM 329 N GLY A 20 13.442 -10.970 -26.188 1.00 32.42 N ATOM 330 CA GLY A 20 12.610 -10.616 -27.323 1.00 33.12 C ATOM 331 C GLY A 20 11.385 -9.820 -26.918 1.00 31.13 C ATOM 332 O GLY A 20 10.266 -10.138 -27.322 1.00 64.30 O ATOM 0 H GLY A 20 14.040 -10.219 -25.844 1.00 32.42 H new ATOM 0 HA2 GLY A 20 13.198 -10.035 -28.034 1.00 33.12 H new ATOM 0 HA3 GLY A 20 12.296 -11.525 -27.837 1.00 33.12 H new ATOM 336 N LYS A 21 11.595 -8.782 -26.115 1.00 73.22 N ATOM 337 CA LYS A 21 10.499 -7.937 -25.654 1.00 24.52 C ATOM 338 C LYS A 21 11.023 -6.779 -24.811 1.00 44.03 C ATOM 339 O LYS A 21 10.488 -5.672 -24.859 1.00 21.32 O ATOM 340 CB LYS A 21 9.500 -8.762 -24.840 1.00 73.51 C ATOM 341 CG LYS A 21 10.129 -9.498 -23.670 1.00 35.15 C ATOM 342 CD LYS A 21 10.088 -8.664 -22.400 1.00 44.12 C ATOM 343 CE LYS A 21 9.227 -9.318 -21.331 1.00 0.45 C ATOM 344 NZ LYS A 21 8.375 -8.324 -20.621 1.00 11.24 N ATOM 0 H LYS A 21 12.514 -8.506 -25.770 1.00 73.22 H new ATOM 0 HA LYS A 21 9.995 -7.528 -26.530 1.00 24.52 H new ATOM 0 HB2 LYS A 21 8.717 -8.102 -24.465 1.00 73.51 H new ATOM 0 HB3 LYS A 21 9.019 -9.486 -25.497 1.00 73.51 H new ATOM 0 HG2 LYS A 21 9.604 -10.439 -23.506 1.00 35.15 H new ATOM 0 HG3 LYS A 21 11.163 -9.748 -23.909 1.00 35.15 H new ATOM 0 HD2 LYS A 21 11.101 -8.528 -22.020 1.00 44.12 H new ATOM 0 HD3 LYS A 21 9.697 -7.672 -22.627 1.00 44.12 H new ATOM 0 HE2 LYS A 21 8.594 -10.078 -21.789 1.00 0.45 H new ATOM 0 HE3 LYS A 21 9.867 -9.828 -20.611 1.00 0.45 H new ATOM 0 HZ1 LYS A 21 7.803 -8.809 -19.900 1.00 11.24 H new ATOM 0 HZ2 LYS A 21 8.980 -7.613 -20.162 1.00 11.24 H new ATOM 0 HZ3 LYS A 21 7.746 -7.855 -21.304 1.00 11.24 H new ATOM 358 N GLY A 22 12.075 -7.041 -24.041 1.00 60.30 N ATOM 359 CA GLY A 22 12.654 -6.010 -23.200 1.00 63.02 C ATOM 360 C GLY A 22 13.891 -6.488 -22.465 1.00 73.10 C ATOM 361 O GLY A 22 14.819 -5.715 -22.230 1.00 32.04 O ATOM 0 H GLY A 22 12.536 -7.949 -23.985 1.00 60.30 H new ATOM 0 HA2 GLY A 22 12.911 -5.147 -23.814 1.00 63.02 H new ATOM 0 HA3 GLY A 22 11.911 -5.677 -22.476 1.00 63.02 H new ATOM 365 N ALA A 23 13.903 -7.766 -22.100 1.00 0.12 N ATOM 366 CA ALA A 23 15.035 -8.346 -21.387 1.00 54.22 C ATOM 367 C ALA A 23 16.336 -8.127 -22.152 1.00 54.10 C ATOM 368 O ALA A 23 17.242 -7.445 -21.672 1.00 34.34 O ATOM 369 CB ALA A 23 14.804 -9.831 -21.149 1.00 55.32 C ATOM 0 H ALA A 23 13.142 -8.419 -22.286 1.00 0.12 H new ATOM 0 HA ALA A 23 15.122 -7.844 -20.423 1.00 54.22 H new ATOM 0 HB1 ALA A 23 15.657 -10.251 -20.616 1.00 55.32 H new ATOM 0 HB2 ALA A 23 13.901 -9.968 -20.554 1.00 55.32 H new ATOM 0 HB3 ALA A 23 14.688 -10.339 -22.106 1.00 55.32 H new ATOM 375 N ILE A 24 16.421 -8.709 -23.343 1.00 63.23 N ATOM 376 CA ILE A 24 17.612 -8.577 -24.174 1.00 13.31 C ATOM 377 C ILE A 24 17.690 -7.191 -24.805 1.00 4.32 C ATOM 378 O ILE A 24 18.778 -6.669 -25.052 1.00 21.41 O ATOM 379 CB ILE A 24 17.641 -9.639 -25.289 1.00 41.51 C ATOM 380 CG1 ILE A 24 19.001 -9.636 -25.990 1.00 22.00 C ATOM 381 CG2 ILE A 24 16.523 -9.387 -26.290 1.00 0.24 C ATOM 382 CD1 ILE A 24 20.146 -10.040 -25.088 1.00 64.32 C ATOM 0 H ILE A 24 15.680 -9.276 -23.755 1.00 63.23 H new ATOM 0 HA ILE A 24 18.472 -8.725 -23.520 1.00 13.31 H new ATOM 0 HB ILE A 24 17.486 -10.620 -24.840 1.00 41.51 H new ATOM 0 HG12 ILE A 24 18.963 -10.315 -26.842 1.00 22.00 H new ATOM 0 HG13 ILE A 24 19.195 -8.639 -26.385 1.00 22.00 H new ATOM 0 HG21 ILE A 24 16.557 -10.146 -27.072 1.00 0.24 H new ATOM 0 HG22 ILE A 24 15.561 -9.434 -25.780 1.00 0.24 H new ATOM 0 HG23 ILE A 24 16.650 -8.401 -26.736 1.00 0.24 H new ATOM 0 HD11 ILE A 24 21.079 -10.016 -25.651 1.00 64.32 H new ATOM 0 HD12 ILE A 24 20.210 -9.347 -24.249 1.00 64.32 H new ATOM 0 HD13 ILE A 24 19.975 -11.049 -24.713 1.00 64.32 H new ATOM 394 N LYS A 25 16.530 -6.597 -25.062 1.00 72.11 N ATOM 395 CA LYS A 25 16.465 -5.269 -25.661 1.00 62.54 C ATOM 396 C LYS A 25 17.137 -4.234 -24.764 1.00 74.45 C ATOM 397 O LYS A 25 17.995 -3.476 -25.213 1.00 5.11 O ATOM 398 CB LYS A 25 15.009 -4.872 -25.915 1.00 63.33 C ATOM 399 CG LYS A 25 14.667 -4.723 -27.388 1.00 24.14 C ATOM 400 CD LYS A 25 15.561 -3.699 -28.067 1.00 10.34 C ATOM 401 CE LYS A 25 16.481 -4.351 -29.088 1.00 15.13 C ATOM 402 NZ LYS A 25 17.471 -3.385 -29.639 1.00 54.13 N ATOM 0 H LYS A 25 15.621 -7.015 -24.865 1.00 72.11 H new ATOM 0 HA LYS A 25 16.997 -5.300 -26.612 1.00 62.54 H new ATOM 0 HB2 LYS A 25 14.354 -5.623 -25.473 1.00 63.33 H new ATOM 0 HB3 LYS A 25 14.804 -3.930 -25.406 1.00 63.33 H new ATOM 0 HG2 LYS A 25 14.772 -5.687 -27.886 1.00 24.14 H new ATOM 0 HG3 LYS A 25 13.624 -4.423 -27.492 1.00 24.14 H new ATOM 0 HD2 LYS A 25 14.945 -2.946 -28.559 1.00 10.34 H new ATOM 0 HD3 LYS A 25 16.158 -3.181 -27.316 1.00 10.34 H new ATOM 0 HE2 LYS A 25 17.007 -5.185 -28.623 1.00 15.13 H new ATOM 0 HE3 LYS A 25 15.885 -4.764 -29.902 1.00 15.13 H new ATOM 0 HZ1 LYS A 25 18.079 -3.868 -30.331 1.00 54.13 H new ATOM 0 HZ2 LYS A 25 16.970 -2.602 -30.105 1.00 54.13 H new ATOM 0 HZ3 LYS A 25 18.057 -3.009 -28.866 1.00 54.13 H new ATOM 416 N GLU A 26 16.740 -4.211 -23.496 1.00 12.31 N ATOM 417 CA GLU A 26 17.305 -3.269 -22.537 1.00 12.40 C ATOM 418 C GLU A 26 18.710 -3.693 -22.120 1.00 71.32 C ATOM 419 O GLU A 26 19.402 -2.971 -21.405 1.00 2.53 O ATOM 420 CB GLU A 26 16.406 -3.161 -21.304 1.00 34.14 C ATOM 421 CG GLU A 26 16.538 -4.337 -20.350 1.00 14.30 C ATOM 422 CD GLU A 26 17.387 -4.011 -19.137 1.00 30.23 C ATOM 423 OE1 GLU A 26 16.932 -3.216 -18.289 1.00 54.51 O ATOM 424 OE2 GLU A 26 18.508 -4.553 -19.035 1.00 73.23 O ATOM 0 H GLU A 26 16.030 -4.833 -23.109 1.00 12.31 H new ATOM 0 HA GLU A 26 17.367 -2.293 -23.019 1.00 12.40 H new ATOM 0 HB2 GLU A 26 16.645 -2.242 -20.770 1.00 34.14 H new ATOM 0 HB3 GLU A 26 15.368 -3.081 -21.627 1.00 34.14 H new ATOM 0 HG2 GLU A 26 15.546 -4.647 -20.022 1.00 14.30 H new ATOM 0 HG3 GLU A 26 16.977 -5.182 -20.880 1.00 14.30 H new ATOM 431 N GLY A 27 19.124 -4.873 -22.573 1.00 44.34 N ATOM 432 CA GLY A 27 20.444 -5.375 -22.237 1.00 51.52 C ATOM 433 C GLY A 27 21.490 -4.989 -23.265 1.00 32.25 C ATOM 434 O GLY A 27 22.599 -4.593 -22.911 1.00 44.54 O ATOM 0 H GLY A 27 18.569 -5.490 -23.166 1.00 44.34 H new ATOM 0 HA2 GLY A 27 20.738 -4.989 -21.261 1.00 51.52 H new ATOM 0 HA3 GLY A 27 20.406 -6.461 -22.152 1.00 51.52 H new ATOM 438 N ASN A 28 21.136 -5.108 -24.540 1.00 51.41 N ATOM 439 CA ASN A 28 22.054 -4.771 -25.622 1.00 54.54 C ATOM 440 C ASN A 28 22.105 -3.262 -25.842 1.00 4.44 C ATOM 441 O ASN A 28 23.155 -2.705 -26.165 1.00 60.54 O ATOM 442 CB ASN A 28 21.630 -5.471 -26.915 1.00 53.20 C ATOM 443 CG ASN A 28 20.552 -4.707 -27.660 1.00 1.21 C ATOM 444 OD1 ASN A 28 19.313 -4.830 -27.198 1.00 54.35 O flip ATOM 445 ND2 ASN A 28 20.831 -4.014 -28.638 1.00 61.32 N flip ATOM 0 H ASN A 28 20.221 -5.435 -24.849 1.00 51.41 H new ATOM 0 HA ASN A 28 23.050 -5.114 -25.340 1.00 54.54 H new ATOM 0 HB2 ASN A 28 22.499 -5.591 -27.562 1.00 53.20 H new ATOM 0 HB3 ASN A 28 21.266 -6.472 -26.681 1.00 53.20 H new ATOM 0 HD21 ASN A 28 21.797 -3.949 -28.958 1.00 61.32 H new ATOM 0 HD22 ASN A 28 20.096 -3.505 -29.129 1.00 61.32 H new ATOM 452 N LYS A 29 20.965 -2.604 -25.662 1.00 51.24 N ATOM 453 CA LYS A 29 20.879 -1.159 -25.838 1.00 53.12 C ATOM 454 C LYS A 29 21.467 -0.428 -24.635 1.00 61.43 C ATOM 455 O LYS A 29 21.887 0.724 -24.741 1.00 54.15 O ATOM 456 CB LYS A 29 19.422 -0.735 -26.043 1.00 65.42 C ATOM 457 CG LYS A 29 18.614 -0.695 -24.758 1.00 30.30 C ATOM 458 CD LYS A 29 17.121 -0.700 -25.038 1.00 54.13 C ATOM 459 CE LYS A 29 16.673 0.595 -25.699 1.00 65.24 C ATOM 460 NZ LYS A 29 16.565 0.454 -27.178 1.00 4.10 N ATOM 0 H LYS A 29 20.087 -3.049 -25.394 1.00 51.24 H new ATOM 0 HA LYS A 29 21.457 -0.891 -26.722 1.00 53.12 H new ATOM 0 HB2 LYS A 29 19.401 0.251 -26.506 1.00 65.42 H new ATOM 0 HB3 LYS A 29 18.946 -1.425 -26.740 1.00 65.42 H new ATOM 0 HG2 LYS A 29 18.872 -1.554 -24.138 1.00 30.30 H new ATOM 0 HG3 LYS A 29 18.876 0.198 -24.190 1.00 30.30 H new ATOM 0 HD2 LYS A 29 16.874 -1.543 -25.683 1.00 54.13 H new ATOM 0 HD3 LYS A 29 16.575 -0.841 -24.105 1.00 54.13 H new ATOM 0 HE2 LYS A 29 15.708 0.896 -25.291 1.00 65.24 H new ATOM 0 HE3 LYS A 29 17.381 1.389 -25.460 1.00 65.24 H new ATOM 0 HZ1 LYS A 29 16.829 1.351 -27.632 1.00 4.10 H new ATOM 0 HZ2 LYS A 29 17.204 -0.300 -27.502 1.00 4.10 H new ATOM 0 HZ3 LYS A 29 15.586 0.212 -27.433 1.00 4.10 H new ATOM 474 N ASP A 30 21.496 -1.106 -23.493 1.00 71.44 N ATOM 475 CA ASP A 30 22.036 -0.522 -22.271 1.00 34.51 C ATOM 476 C ASP A 30 23.478 -0.069 -22.476 1.00 33.12 C ATOM 477 O ASP A 30 23.957 0.838 -21.796 1.00 4.22 O ATOM 478 CB ASP A 30 21.963 -1.531 -21.123 1.00 62.14 C ATOM 479 CG ASP A 30 20.988 -1.109 -20.042 1.00 51.12 C ATOM 480 OD1 ASP A 30 19.967 -0.474 -20.379 1.00 55.30 O ATOM 481 OD2 ASP A 30 21.245 -1.414 -18.859 1.00 65.43 O ATOM 0 H ASP A 30 21.152 -2.060 -23.388 1.00 71.44 H new ATOM 0 HA ASP A 30 21.433 0.350 -22.017 1.00 34.51 H new ATOM 0 HB2 ASP A 30 21.666 -2.503 -21.516 1.00 62.14 H new ATOM 0 HB3 ASP A 30 22.954 -1.653 -20.687 1.00 62.14 H new ATOM 486 N LYS A 31 24.165 -0.707 -23.417 1.00 20.31 N ATOM 487 CA LYS A 31 25.553 -0.371 -23.713 1.00 15.32 C ATOM 488 C LYS A 31 25.633 0.811 -24.674 1.00 73.21 C ATOM 489 O LYS A 31 26.539 1.639 -24.580 1.00 34.10 O ATOM 490 CB LYS A 31 26.275 -1.579 -24.312 1.00 24.22 C ATOM 491 CG LYS A 31 26.199 -2.825 -23.446 1.00 12.42 C ATOM 492 CD LYS A 31 26.806 -2.587 -22.073 1.00 73.41 C ATOM 493 CE LYS A 31 27.507 -3.832 -21.551 1.00 34.21 C ATOM 494 NZ LYS A 31 26.895 -4.324 -20.285 1.00 52.52 N ATOM 0 H LYS A 31 23.783 -1.461 -23.989 1.00 20.31 H new ATOM 0 HA LYS A 31 26.040 -0.091 -22.779 1.00 15.32 H new ATOM 0 HB2 LYS A 31 25.846 -1.800 -25.290 1.00 24.22 H new ATOM 0 HB3 LYS A 31 27.322 -1.322 -24.474 1.00 24.22 H new ATOM 0 HG2 LYS A 31 25.158 -3.131 -23.337 1.00 12.42 H new ATOM 0 HG3 LYS A 31 26.722 -3.645 -23.939 1.00 12.42 H new ATOM 0 HD2 LYS A 31 27.517 -1.763 -22.126 1.00 73.41 H new ATOM 0 HD3 LYS A 31 26.024 -2.289 -21.375 1.00 73.41 H new ATOM 0 HE2 LYS A 31 27.462 -4.617 -22.305 1.00 34.21 H new ATOM 0 HE3 LYS A 31 28.561 -3.612 -21.383 1.00 34.21 H new ATOM 0 HZ1 LYS A 31 27.401 -5.173 -19.962 1.00 52.52 H new ATOM 0 HZ2 LYS A 31 26.961 -3.584 -19.557 1.00 52.52 H new ATOM 0 HZ3 LYS A 31 25.895 -4.559 -20.451 1.00 52.52 H new ATOM 508 N TRP A 32 24.680 0.883 -25.596 1.00 74.10 N ATOM 509 CA TRP A 32 24.642 1.965 -26.574 1.00 23.25 C ATOM 510 C TRP A 32 24.732 3.323 -25.886 1.00 60.22 C ATOM 511 O TRP A 32 25.258 4.282 -26.451 1.00 1.23 O ATOM 512 CB TRP A 32 23.361 1.884 -27.406 1.00 3.15 C ATOM 513 CG TRP A 32 23.401 0.814 -28.454 1.00 53.13 C ATOM 514 CD1 TRP A 32 23.783 -0.486 -28.285 1.00 10.11 C ATOM 515 CD2 TRP A 32 23.046 0.954 -29.834 1.00 62.45 C ATOM 516 NE1 TRP A 32 23.688 -1.163 -29.477 1.00 34.13 N ATOM 517 CE2 TRP A 32 23.237 -0.303 -30.443 1.00 1.44 C ATOM 518 CE3 TRP A 32 22.584 2.016 -30.615 1.00 43.52 C ATOM 519 CZ2 TRP A 32 22.983 -0.521 -31.794 1.00 31.41 C ATOM 520 CZ3 TRP A 32 22.333 1.798 -31.956 1.00 73.23 C ATOM 521 CH2 TRP A 32 22.532 0.537 -32.535 1.00 14.04 C ATOM 0 H TRP A 32 23.923 0.205 -25.687 1.00 74.10 H new ATOM 0 HA TRP A 32 25.502 1.855 -27.234 1.00 23.25 H new ATOM 0 HB2 TRP A 32 22.516 1.701 -26.742 1.00 3.15 H new ATOM 0 HB3 TRP A 32 23.187 2.847 -27.886 1.00 3.15 H new ATOM 0 HD1 TRP A 32 24.112 -0.919 -27.352 1.00 10.11 H new ATOM 0 HE1 TRP A 32 23.916 -2.147 -29.619 1.00 34.13 H new ATOM 0 HE3 TRP A 32 22.426 2.991 -30.178 1.00 43.52 H new ATOM 0 HZ2 TRP A 32 23.137 -1.492 -32.242 1.00 31.41 H new ATOM 0 HZ3 TRP A 32 21.977 2.613 -32.569 1.00 73.23 H new ATOM 0 HH2 TRP A 32 22.325 0.398 -33.586 1.00 14.04 H new ATOM 532 N LYS A 33 24.216 3.398 -24.664 1.00 74.13 N ATOM 533 CA LYS A 33 24.239 4.638 -23.898 1.00 54.44 C ATOM 534 C LYS A 33 25.668 5.140 -23.718 1.00 53.34 C ATOM 535 O LYS A 33 25.912 6.345 -23.685 1.00 5.42 O ATOM 536 CB LYS A 33 23.584 4.430 -22.531 1.00 20.21 C ATOM 537 CG LYS A 33 23.279 5.725 -21.799 1.00 10.14 C ATOM 538 CD LYS A 33 21.892 6.244 -22.138 1.00 33.02 C ATOM 539 CE LYS A 33 21.875 7.761 -22.243 1.00 55.31 C ATOM 540 NZ LYS A 33 21.850 8.219 -23.660 1.00 71.40 N ATOM 0 H LYS A 33 23.776 2.614 -24.183 1.00 74.13 H new ATOM 0 HA LYS A 33 23.676 5.389 -24.453 1.00 54.44 H new ATOM 0 HB2 LYS A 33 22.658 3.870 -22.663 1.00 20.21 H new ATOM 0 HB3 LYS A 33 24.241 3.819 -21.912 1.00 20.21 H new ATOM 0 HG2 LYS A 33 23.355 5.563 -20.724 1.00 10.14 H new ATOM 0 HG3 LYS A 33 24.024 6.476 -22.061 1.00 10.14 H new ATOM 0 HD2 LYS A 33 21.560 5.809 -23.081 1.00 33.02 H new ATOM 0 HD3 LYS A 33 21.185 5.923 -21.373 1.00 33.02 H new ATOM 0 HE2 LYS A 33 21.002 8.151 -21.720 1.00 55.31 H new ATOM 0 HE3 LYS A 33 22.754 8.169 -21.745 1.00 55.31 H new ATOM 0 HZ1 LYS A 33 21.839 9.259 -23.689 1.00 71.40 H new ATOM 0 HZ2 LYS A 33 22.696 7.868 -24.153 1.00 71.40 H new ATOM 0 HZ3 LYS A 33 20.998 7.851 -24.129 1.00 71.40 H new ATOM 554 N ASN A 34 26.608 4.208 -23.605 1.00 33.45 N ATOM 555 CA ASN A 34 28.013 4.556 -23.429 1.00 50.20 C ATOM 556 C ASN A 34 28.199 5.476 -22.226 1.00 62.01 C ATOM 557 O ASN A 34 29.150 6.256 -22.170 1.00 40.41 O ATOM 558 CB ASN A 34 28.554 5.232 -24.691 1.00 13.24 C ATOM 559 CG ASN A 34 30.063 5.381 -24.665 1.00 73.35 C ATOM 560 OD1 ASN A 34 30.587 6.494 -24.623 1.00 24.51 O ATOM 561 ND2 ASN A 34 30.768 4.256 -24.692 1.00 62.01 N ATOM 0 H ASN A 34 26.422 3.205 -23.632 1.00 33.45 H new ATOM 0 HA ASN A 34 28.570 3.636 -23.250 1.00 50.20 H new ATOM 0 HB2 ASN A 34 28.264 4.649 -25.565 1.00 13.24 H new ATOM 0 HB3 ASN A 34 28.096 6.215 -24.798 1.00 13.24 H new ATOM 0 HD21 ASN A 34 31.787 4.292 -24.678 1.00 62.01 H new ATOM 0 HD22 ASN A 34 30.290 3.355 -24.727 1.00 62.01 H new ATOM 568 N ILE A 35 27.286 5.378 -21.266 1.00 73.32 N ATOM 569 CA ILE A 35 27.350 6.199 -20.064 1.00 3.31 C ATOM 570 C ILE A 35 27.476 7.678 -20.415 1.00 21.04 C ATOM 571 O ILE A 35 26.475 8.370 -20.600 1.00 42.35 O ATOM 572 CB ILE A 35 28.535 5.793 -19.168 1.00 1.24 C ATOM 573 CG1 ILE A 35 28.434 4.314 -18.790 1.00 74.00 C ATOM 574 CG2 ILE A 35 28.577 6.662 -17.920 1.00 3.43 C ATOM 575 CD1 ILE A 35 29.517 3.457 -19.407 1.00 1.33 C ATOM 0 H ILE A 35 26.493 4.738 -21.297 1.00 73.32 H new ATOM 0 HA ILE A 35 26.420 6.035 -19.519 1.00 3.31 H new ATOM 0 HB ILE A 35 29.460 5.944 -19.724 1.00 1.24 H new ATOM 0 HG12 ILE A 35 28.482 4.221 -17.705 1.00 74.00 H new ATOM 0 HG13 ILE A 35 27.461 3.934 -19.100 1.00 74.00 H new ATOM 0 HG21 ILE A 35 29.420 6.363 -17.297 1.00 3.43 H new ATOM 0 HG22 ILE A 35 28.691 7.707 -18.208 1.00 3.43 H new ATOM 0 HG23 ILE A 35 27.650 6.539 -17.360 1.00 3.43 H new ATOM 0 HD11 ILE A 35 29.383 2.421 -19.096 1.00 1.33 H new ATOM 0 HD12 ILE A 35 29.456 3.520 -20.493 1.00 1.33 H new ATOM 0 HD13 ILE A 35 30.494 3.811 -19.077 1.00 1.33 H new TER 587 ILE A 35