USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 293 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ 134:sc= 0.0127 (180deg=0) 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+ -166:sc= 0.147 (180deg=0.0992) 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= -0.814 X(o=-0.81,f=-0.45) 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+ 164:sc= -0.0103 (180deg=-0.138) USER MOD Single : A 34 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 7.916 3.369 -6.879 1.00 33.22 N ATOM 2 CA LYS A 1 8.510 2.042 -6.990 1.00 41.14 C ATOM 3 C LYS A 1 7.579 1.089 -7.733 1.00 13.33 C ATOM 4 O LYS A 1 6.359 1.144 -7.570 1.00 64.03 O ATOM 5 CB LYS A 1 8.826 1.484 -5.601 1.00 24.10 C ATOM 6 CG LYS A 1 10.219 1.835 -5.107 1.00 1.01 C ATOM 7 CD LYS A 1 10.494 1.231 -3.740 1.00 5.51 C ATOM 8 CE LYS A 1 11.317 2.171 -2.871 1.00 60.14 C ATOM 9 NZ LYS A 1 11.554 1.607 -1.514 1.00 35.43 N ATOM 0 H1 LYS A 1 8.027 3.719 -5.906 1.00 33.22 H new ATOM 0 H2 LYS A 1 8.392 4.019 -7.537 1.00 33.22 H new ATOM 0 H3 LYS A 1 6.904 3.317 -7.115 1.00 33.22 H new ATOM 0 HA LYS A 1 9.436 2.133 -7.557 1.00 41.14 H new ATOM 0 HB2 LYS A 1 8.091 1.863 -4.891 1.00 24.10 H new ATOM 0 HB3 LYS A 1 8.719 0.399 -5.621 1.00 24.10 H new ATOM 0 HG2 LYS A 1 10.960 1.476 -5.821 1.00 1.01 H new ATOM 0 HG3 LYS A 1 10.325 2.919 -5.055 1.00 1.01 H new ATOM 0 HD2 LYS A 1 9.550 1.007 -3.243 1.00 5.51 H new ATOM 0 HD3 LYS A 1 11.024 0.286 -3.858 1.00 5.51 H new ATOM 0 HE2 LYS A 1 12.274 2.368 -3.354 1.00 60.14 H new ATOM 0 HE3 LYS A 1 10.802 3.127 -2.782 1.00 60.14 H new ATOM 0 HZ1 LYS A 1 12.118 2.277 -0.953 1.00 35.43 H new ATOM 0 HZ2 LYS A 1 10.642 1.442 -1.042 1.00 35.43 H new ATOM 0 HZ3 LYS A 1 12.068 0.707 -1.597 1.00 35.43 H new ATOM 23 N LYS A 2 8.160 0.215 -8.547 1.00 4.20 N ATOM 24 CA LYS A 2 7.383 -0.752 -9.313 1.00 25.43 C ATOM 25 C LYS A 2 8.192 -2.021 -9.566 1.00 51.34 C ATOM 26 O LYS A 2 8.034 -2.672 -10.599 1.00 43.00 O ATOM 27 CB LYS A 2 6.940 -0.142 -10.644 1.00 65.24 C ATOM 28 CG LYS A 2 8.080 0.065 -11.627 1.00 73.14 C ATOM 29 CD LYS A 2 7.888 -0.764 -12.886 1.00 54.14 C ATOM 30 CE LYS A 2 8.603 -0.144 -14.077 1.00 5.15 C ATOM 31 NZ LYS A 2 8.030 -0.606 -15.371 1.00 2.01 N ATOM 0 H LYS A 2 9.168 0.156 -8.694 1.00 4.20 H new ATOM 0 HA LYS A 2 6.500 -1.015 -8.730 1.00 25.43 H new ATOM 0 HB2 LYS A 2 6.191 -0.790 -11.100 1.00 65.24 H new ATOM 0 HB3 LYS A 2 6.458 0.817 -10.452 1.00 65.24 H new ATOM 0 HG2 LYS A 2 8.146 1.120 -11.892 1.00 73.14 H new ATOM 0 HG3 LYS A 2 9.024 -0.205 -11.153 1.00 73.14 H new ATOM 0 HD2 LYS A 2 8.265 -1.773 -12.719 1.00 54.14 H new ATOM 0 HD3 LYS A 2 6.824 -0.853 -13.105 1.00 54.14 H new ATOM 0 HE2 LYS A 2 8.534 0.942 -14.017 1.00 5.15 H new ATOM 0 HE3 LYS A 2 9.662 -0.399 -14.037 1.00 5.15 H new ATOM 0 HZ1 LYS A 2 8.545 -0.161 -16.157 1.00 2.01 H new ATOM 0 HZ2 LYS A 2 8.119 -1.640 -15.441 1.00 2.01 H new ATOM 0 HZ3 LYS A 2 7.026 -0.341 -15.420 1.00 2.01 H new ATOM 45 N TRP A 3 9.055 -2.366 -8.618 1.00 44.42 N ATOM 46 CA TRP A 3 9.887 -3.558 -8.739 1.00 44.53 C ATOM 47 C TRP A 3 9.153 -4.789 -8.219 1.00 44.35 C ATOM 48 O TRP A 3 9.364 -5.899 -8.704 1.00 64.54 O ATOM 49 CB TRP A 3 11.198 -3.369 -7.974 1.00 64.23 C ATOM 50 CG TRP A 3 12.408 -3.374 -8.859 1.00 3.30 C ATOM 51 CD1 TRP A 3 12.892 -2.327 -9.591 1.00 24.13 C ATOM 52 CD2 TRP A 3 13.285 -4.478 -9.106 1.00 61.20 C ATOM 53 NE1 TRP A 3 14.018 -2.715 -10.278 1.00 15.42 N ATOM 54 CE2 TRP A 3 14.280 -4.029 -9.997 1.00 32.32 C ATOM 55 CE3 TRP A 3 13.328 -5.802 -8.660 1.00 42.11 C ATOM 56 CZ2 TRP A 3 15.303 -4.858 -10.449 1.00 32.51 C ATOM 57 CZ3 TRP A 3 14.344 -6.624 -9.110 1.00 51.40 C ATOM 58 CH2 TRP A 3 15.320 -6.150 -9.996 1.00 44.32 C ATOM 0 H TRP A 3 9.197 -1.838 -7.757 1.00 44.42 H new ATOM 0 HA TRP A 3 10.110 -3.710 -9.795 1.00 44.53 H new ATOM 0 HB2 TRP A 3 11.159 -2.426 -7.429 1.00 64.23 H new ATOM 0 HB3 TRP A 3 11.295 -4.162 -7.233 1.00 64.23 H new ATOM 0 HD1 TRP A 3 12.455 -1.340 -9.625 1.00 24.13 H new ATOM 0 HE1 TRP A 3 14.569 -2.120 -10.897 1.00 15.42 H new ATOM 0 HE3 TRP A 3 12.581 -6.176 -7.976 1.00 42.11 H new ATOM 0 HZ2 TRP A 3 16.056 -4.495 -11.133 1.00 32.51 H new ATOM 0 HZ3 TRP A 3 14.386 -7.649 -8.773 1.00 51.40 H new ATOM 0 HH2 TRP A 3 16.102 -6.817 -10.328 1.00 44.32 H new ATOM 69 N GLY A 4 8.290 -4.584 -7.229 1.00 51.23 N ATOM 70 CA GLY A 4 7.538 -5.687 -6.661 1.00 31.13 C ATOM 71 C GLY A 4 6.094 -5.704 -7.123 1.00 3.13 C ATOM 72 O GLY A 4 5.443 -6.748 -7.106 1.00 73.23 O ATOM 0 H GLY A 4 8.098 -3.674 -6.810 1.00 51.23 H new ATOM 0 HA2 GLY A 4 8.015 -6.628 -6.936 1.00 31.13 H new ATOM 0 HA3 GLY A 4 7.567 -5.621 -5.573 1.00 31.13 H new ATOM 76 N TRP A 5 5.593 -4.545 -7.534 1.00 42.10 N ATOM 77 CA TRP A 5 4.216 -4.430 -8.001 1.00 22.41 C ATOM 78 C TRP A 5 4.019 -5.193 -9.307 1.00 11.44 C ATOM 79 O TRP A 5 2.985 -5.828 -9.516 1.00 33.10 O ATOM 80 CB TRP A 5 3.842 -2.960 -8.193 1.00 14.12 C ATOM 81 CG TRP A 5 2.508 -2.767 -8.848 1.00 74.45 C ATOM 82 CD1 TRP A 5 1.397 -3.547 -8.692 1.00 64.32 C ATOM 83 CD2 TRP A 5 2.145 -1.729 -9.765 1.00 63.24 C ATOM 84 NE1 TRP A 5 0.367 -3.056 -9.457 1.00 33.42 N ATOM 85 CE2 TRP A 5 0.800 -1.941 -10.124 1.00 34.11 C ATOM 86 CE3 TRP A 5 2.826 -0.640 -10.317 1.00 33.32 C ATOM 87 CZ2 TRP A 5 0.125 -1.104 -11.009 1.00 71.50 C ATOM 88 CZ3 TRP A 5 2.155 0.189 -11.195 1.00 73.13 C ATOM 89 CH2 TRP A 5 0.815 -0.046 -11.534 1.00 24.11 C ATOM 0 H TRP A 5 6.119 -3.672 -7.553 1.00 42.10 H new ATOM 0 HA TRP A 5 3.564 -4.867 -7.245 1.00 22.41 H new ATOM 0 HB2 TRP A 5 3.837 -2.464 -7.222 1.00 14.12 H new ATOM 0 HB3 TRP A 5 4.609 -2.473 -8.796 1.00 14.12 H new ATOM 0 HD1 TRP A 5 1.337 -4.421 -8.060 1.00 64.32 H new ATOM 0 HE1 TRP A 5 -0.569 -3.457 -9.518 1.00 33.42 H new ATOM 0 HE3 TRP A 5 3.858 -0.450 -10.062 1.00 33.32 H new ATOM 0 HZ2 TRP A 5 -0.907 -1.284 -11.272 1.00 71.50 H new ATOM 0 HZ3 TRP A 5 2.672 1.033 -11.628 1.00 73.13 H new ATOM 0 HH2 TRP A 5 0.318 0.621 -12.223 1.00 24.11 H new ATOM 100 N LEU A 6 5.016 -5.126 -10.182 1.00 11.20 N ATOM 101 CA LEU A 6 4.952 -5.811 -11.468 1.00 53.44 C ATOM 102 C LEU A 6 5.323 -7.283 -11.321 1.00 11.32 C ATOM 103 O LEU A 6 4.901 -8.122 -12.116 1.00 22.12 O ATOM 104 CB LEU A 6 5.886 -5.136 -12.475 1.00 14.12 C ATOM 105 CG LEU A 6 6.229 -5.950 -13.722 1.00 71.45 C ATOM 106 CD1 LEU A 6 4.961 -6.386 -14.441 1.00 24.30 C ATOM 107 CD2 LEU A 6 7.123 -5.146 -14.655 1.00 20.20 C ATOM 0 H LEU A 6 5.878 -4.604 -10.024 1.00 11.20 H new ATOM 0 HA LEU A 6 3.927 -5.749 -11.834 1.00 53.44 H new ATOM 0 HB2 LEU A 6 5.429 -4.198 -12.792 1.00 14.12 H new ATOM 0 HB3 LEU A 6 6.815 -4.882 -11.965 1.00 14.12 H new ATOM 0 HG LEU A 6 6.771 -6.843 -13.411 1.00 71.45 H new ATOM 0 HD11 LEU A 6 5.225 -6.964 -15.326 1.00 24.30 H new ATOM 0 HD12 LEU A 6 4.357 -7.000 -13.773 1.00 24.30 H new ATOM 0 HD13 LEU A 6 4.391 -5.506 -14.739 1.00 24.30 H new ATOM 0 HD21 LEU A 6 7.357 -5.742 -15.537 1.00 20.20 H new ATOM 0 HD22 LEU A 6 6.607 -4.235 -14.958 1.00 20.20 H new ATOM 0 HD23 LEU A 6 8.047 -4.885 -14.138 1.00 20.20 H new ATOM 119 N ALA A 7 6.113 -7.589 -10.297 1.00 11.42 N ATOM 120 CA ALA A 7 6.537 -8.960 -10.042 1.00 41.32 C ATOM 121 C ALA A 7 5.339 -9.864 -9.772 1.00 3.21 C ATOM 122 O ALA A 7 5.405 -11.076 -9.978 1.00 44.54 O ATOM 123 CB ALA A 7 7.508 -9.003 -8.872 1.00 3.03 C ATOM 0 H ALA A 7 6.472 -6.906 -9.630 1.00 11.42 H new ATOM 0 HA ALA A 7 7.044 -9.329 -10.934 1.00 41.32 H new ATOM 0 HB1 ALA A 7 7.816 -10.033 -8.693 1.00 3.03 H new ATOM 0 HB2 ALA A 7 8.384 -8.397 -9.104 1.00 3.03 H new ATOM 0 HB3 ALA A 7 7.020 -8.610 -7.980 1.00 3.03 H new ATOM 129 N TRP A 8 4.247 -9.267 -9.309 1.00 32.41 N ATOM 130 CA TRP A 8 3.034 -10.020 -9.010 1.00 31.24 C ATOM 131 C TRP A 8 2.079 -10.009 -10.198 1.00 51.31 C ATOM 132 O TRP A 8 1.097 -10.751 -10.225 1.00 63.35 O ATOM 133 CB TRP A 8 2.340 -9.440 -7.776 1.00 50.43 C ATOM 134 CG TRP A 8 3.050 -9.751 -6.494 1.00 32.34 C ATOM 135 CD1 TRP A 8 4.380 -10.016 -6.337 1.00 23.43 C ATOM 136 CD2 TRP A 8 2.466 -9.832 -5.189 1.00 31.01 C ATOM 137 NE1 TRP A 8 4.659 -10.257 -5.013 1.00 33.12 N ATOM 138 CE2 TRP A 8 3.501 -10.149 -4.288 1.00 24.10 C ATOM 139 CE3 TRP A 8 1.170 -9.665 -4.694 1.00 30.25 C ATOM 140 CZ2 TRP A 8 3.278 -10.303 -2.922 1.00 62.44 C ATOM 141 CZ3 TRP A 8 0.950 -9.819 -3.338 1.00 1.01 C ATOM 142 CH2 TRP A 8 2.000 -10.135 -2.465 1.00 13.41 C ATOM 0 H TRP A 8 4.176 -8.265 -9.133 1.00 32.41 H new ATOM 0 HA TRP A 8 3.318 -11.052 -8.807 1.00 31.24 H new ATOM 0 HB2 TRP A 8 2.262 -8.358 -7.887 1.00 50.43 H new ATOM 0 HB3 TRP A 8 1.323 -9.829 -7.723 1.00 50.43 H new ATOM 0 HD1 TRP A 8 5.106 -10.034 -7.136 1.00 23.43 H new ATOM 0 HE1 TRP A 8 5.578 -10.480 -4.632 1.00 33.12 H new ATOM 0 HE3 TRP A 8 0.355 -9.420 -5.359 1.00 30.25 H new ATOM 0 HZ2 TRP A 8 4.086 -10.546 -2.248 1.00 62.44 H new ATOM 0 HZ3 TRP A 8 -0.048 -9.694 -2.945 1.00 1.01 H new ATOM 0 HH2 TRP A 8 1.796 -10.248 -1.411 1.00 13.41 H new ATOM 153 N VAL A 9 2.372 -9.162 -11.180 1.00 4.44 N ATOM 154 CA VAL A 9 1.540 -9.055 -12.372 1.00 11.12 C ATOM 155 C VAL A 9 1.785 -10.223 -13.320 1.00 23.31 C ATOM 156 O VAL A 9 0.845 -10.807 -13.858 1.00 73.42 O ATOM 157 CB VAL A 9 1.801 -7.736 -13.122 1.00 50.54 C ATOM 158 CG1 VAL A 9 0.979 -7.677 -14.401 1.00 1.30 C ATOM 159 CG2 VAL A 9 1.495 -6.544 -12.227 1.00 64.21 C ATOM 0 H VAL A 9 3.180 -8.540 -11.173 1.00 4.44 H new ATOM 0 HA VAL A 9 0.503 -9.075 -12.037 1.00 11.12 H new ATOM 0 HB VAL A 9 2.856 -7.696 -13.394 1.00 50.54 H new ATOM 0 HG11 VAL A 9 1.177 -6.738 -14.918 1.00 1.30 H new ATOM 0 HG12 VAL A 9 1.252 -8.511 -15.048 1.00 1.30 H new ATOM 0 HG13 VAL A 9 -0.081 -7.740 -14.155 1.00 1.30 H new ATOM 0 HG21 VAL A 9 1.685 -5.620 -12.774 1.00 64.21 H new ATOM 0 HG22 VAL A 9 0.449 -6.577 -11.923 1.00 64.21 H new ATOM 0 HG23 VAL A 9 2.131 -6.580 -11.343 1.00 64.21 H new ATOM 169 N ASP A 10 3.055 -10.559 -13.519 1.00 71.52 N ATOM 170 CA ASP A 10 3.425 -11.660 -14.402 1.00 30.05 C ATOM 171 C ASP A 10 4.909 -11.986 -14.270 1.00 64.30 C ATOM 172 O ASP A 10 5.717 -11.685 -15.150 1.00 35.34 O ATOM 173 CB ASP A 10 3.093 -11.312 -15.853 1.00 44.44 C ATOM 174 CG ASP A 10 1.749 -11.862 -16.288 1.00 43.33 C ATOM 175 OD1 ASP A 10 1.551 -13.091 -16.190 1.00 60.01 O ATOM 176 OD2 ASP A 10 0.895 -11.063 -16.726 1.00 43.01 O ATOM 0 H ASP A 10 3.845 -10.085 -13.081 1.00 71.52 H new ATOM 0 HA ASP A 10 2.851 -12.539 -14.108 1.00 30.05 H new ATOM 0 HB2 ASP A 10 3.095 -10.229 -15.973 1.00 44.44 H new ATOM 0 HB3 ASP A 10 3.872 -11.706 -16.505 1.00 44.44 H new ATOM 181 N PRO A 11 5.280 -12.616 -13.145 1.00 52.01 N ATOM 182 CA PRO A 11 6.669 -12.996 -12.871 1.00 72.35 C ATOM 183 C PRO A 11 7.150 -14.124 -13.778 1.00 23.13 C ATOM 184 O PRO A 11 8.327 -14.188 -14.134 1.00 14.24 O ATOM 185 CB PRO A 11 6.629 -13.462 -11.414 1.00 14.32 C ATOM 186 CG PRO A 11 5.222 -13.900 -11.195 1.00 14.33 C ATOM 187 CD PRO A 11 4.371 -13.006 -12.054 1.00 0.41 C ATOM 0 HA PRO A 11 7.360 -12.172 -13.050 1.00 72.35 H new ATOM 0 HB2 PRO A 11 7.330 -14.279 -11.240 1.00 14.32 H new ATOM 0 HB3 PRO A 11 6.903 -12.656 -10.733 1.00 14.32 H new ATOM 0 HG2 PRO A 11 5.092 -14.946 -11.472 1.00 14.33 H new ATOM 0 HG3 PRO A 11 4.945 -13.811 -10.145 1.00 14.33 H new ATOM 0 HD2 PRO A 11 3.492 -13.529 -12.431 1.00 0.41 H new ATOM 0 HD3 PRO A 11 4.013 -12.138 -11.500 1.00 0.41 H new ATOM 195 N ALA A 12 6.233 -15.012 -14.148 1.00 23.02 N ATOM 196 CA ALA A 12 6.564 -16.136 -15.015 1.00 24.13 C ATOM 197 C ALA A 12 7.025 -15.654 -16.386 1.00 75.45 C ATOM 198 O ALA A 12 8.013 -16.149 -16.930 1.00 34.14 O ATOM 199 CB ALA A 12 5.368 -17.066 -15.154 1.00 1.24 C ATOM 0 H ALA A 12 5.255 -14.975 -13.861 1.00 23.02 H new ATOM 0 HA ALA A 12 7.386 -16.686 -14.557 1.00 24.13 H new ATOM 0 HB1 ALA A 12 5.630 -17.901 -15.804 1.00 1.24 H new ATOM 0 HB2 ALA A 12 5.086 -17.446 -14.172 1.00 1.24 H new ATOM 0 HB3 ALA A 12 4.530 -16.519 -15.586 1.00 1.24 H new ATOM 205 N TYR A 13 6.302 -14.688 -16.942 1.00 2.23 N ATOM 206 CA TYR A 13 6.635 -14.142 -18.252 1.00 52.31 C ATOM 207 C TYR A 13 8.101 -13.723 -18.312 1.00 33.41 C ATOM 208 O TYR A 13 8.881 -14.268 -19.092 1.00 20.32 O ATOM 209 CB TYR A 13 5.738 -12.944 -18.571 1.00 71.54 C ATOM 210 CG TYR A 13 5.473 -12.763 -20.049 1.00 64.21 C ATOM 211 CD1 TYR A 13 6.518 -12.749 -20.965 1.00 74.24 C ATOM 212 CD2 TYR A 13 4.179 -12.607 -20.529 1.00 13.22 C ATOM 213 CE1 TYR A 13 6.280 -12.583 -22.316 1.00 44.01 C ATOM 214 CE2 TYR A 13 3.932 -12.442 -21.878 1.00 50.40 C ATOM 215 CZ TYR A 13 4.986 -12.430 -22.768 1.00 0.25 C ATOM 216 OH TYR A 13 4.746 -12.265 -24.112 1.00 75.54 O ATOM 0 H TYR A 13 5.482 -14.267 -16.506 1.00 2.23 H new ATOM 0 HA TYR A 13 6.468 -14.922 -18.995 1.00 52.31 H new ATOM 0 HB2 TYR A 13 4.787 -13.064 -18.052 1.00 71.54 H new ATOM 0 HB3 TYR A 13 6.202 -12.039 -18.180 1.00 71.54 H new ATOM 0 HD1 TYR A 13 7.533 -12.870 -20.615 1.00 74.24 H new ATOM 0 HD2 TYR A 13 3.351 -12.615 -19.835 1.00 13.22 H new ATOM 0 HE1 TYR A 13 7.103 -12.573 -23.015 1.00 44.01 H new ATOM 0 HE2 TYR A 13 2.919 -12.323 -22.234 1.00 50.40 H new ATOM 0 HH TYR A 13 3.782 -12.172 -24.263 1.00 75.54 H new ATOM 226 N GLU A 14 8.467 -12.752 -17.481 1.00 73.30 N ATOM 227 CA GLU A 14 9.839 -12.260 -17.439 1.00 73.42 C ATOM 228 C GLU A 14 10.807 -13.381 -17.071 1.00 44.42 C ATOM 229 O GLU A 14 11.953 -13.398 -17.521 1.00 63.31 O ATOM 230 CB GLU A 14 9.962 -11.114 -16.434 1.00 5.42 C ATOM 231 CG GLU A 14 11.399 -10.713 -16.141 1.00 34.10 C ATOM 232 CD GLU A 14 11.861 -11.161 -14.768 1.00 60.42 C ATOM 233 OE1 GLU A 14 11.093 -10.990 -13.799 1.00 14.53 O ATOM 234 OE2 GLU A 14 12.990 -11.683 -14.663 1.00 64.41 O ATOM 0 H GLU A 14 7.833 -12.291 -16.828 1.00 73.30 H new ATOM 0 HA GLU A 14 10.097 -11.892 -18.432 1.00 73.42 H new ATOM 0 HB2 GLU A 14 9.422 -10.247 -16.816 1.00 5.42 H new ATOM 0 HB3 GLU A 14 9.478 -11.406 -15.502 1.00 5.42 H new ATOM 0 HG2 GLU A 14 12.054 -11.143 -16.899 1.00 34.10 H new ATOM 0 HG3 GLU A 14 11.493 -9.630 -16.216 1.00 34.10 H new ATOM 241 N PHE A 15 10.339 -14.314 -16.250 1.00 34.13 N ATOM 242 CA PHE A 15 11.163 -15.437 -15.819 1.00 73.52 C ATOM 243 C PHE A 15 11.528 -16.329 -17.002 1.00 74.25 C ATOM 244 O PHE A 15 12.621 -16.893 -17.054 1.00 31.40 O ATOM 245 CB PHE A 15 10.429 -16.257 -14.755 1.00 65.24 C ATOM 246 CG PHE A 15 11.266 -17.354 -14.162 1.00 23.04 C ATOM 247 CD1 PHE A 15 11.398 -18.571 -14.810 1.00 33.53 C ATOM 248 CD2 PHE A 15 11.921 -17.168 -12.955 1.00 2.32 C ATOM 249 CE1 PHE A 15 12.167 -19.583 -14.266 1.00 43.22 C ATOM 250 CE2 PHE A 15 12.692 -18.175 -12.407 1.00 24.13 C ATOM 251 CZ PHE A 15 12.815 -19.385 -13.063 1.00 14.55 C ATOM 0 H PHE A 15 9.393 -14.315 -15.869 1.00 34.13 H new ATOM 0 HA PHE A 15 12.082 -15.038 -15.390 1.00 73.52 H new ATOM 0 HB2 PHE A 15 10.099 -15.591 -13.958 1.00 65.24 H new ATOM 0 HB3 PHE A 15 9.533 -16.693 -15.197 1.00 65.24 H new ATOM 0 HD1 PHE A 15 10.894 -18.731 -15.752 1.00 33.53 H new ATOM 0 HD2 PHE A 15 11.828 -16.225 -12.437 1.00 2.32 H new ATOM 0 HE1 PHE A 15 12.261 -20.527 -14.781 1.00 43.22 H new ATOM 0 HE2 PHE A 15 13.198 -18.017 -11.466 1.00 24.13 H new ATOM 0 HZ PHE A 15 13.416 -20.174 -12.636 1.00 14.55 H new ATOM 261 N ILE A 16 10.604 -16.452 -17.950 1.00 44.51 N ATOM 262 CA ILE A 16 10.828 -17.274 -19.133 1.00 5.43 C ATOM 263 C ILE A 16 11.830 -16.617 -20.077 1.00 32.00 C ATOM 264 O ILE A 16 12.676 -17.289 -20.668 1.00 11.43 O ATOM 265 CB ILE A 16 9.516 -17.534 -19.895 1.00 14.43 C ATOM 266 CG1 ILE A 16 8.500 -18.227 -18.984 1.00 4.22 C ATOM 267 CG2 ILE A 16 9.781 -18.372 -21.136 1.00 72.21 C ATOM 268 CD1 ILE A 16 7.083 -17.733 -19.173 1.00 21.14 C ATOM 0 H ILE A 16 9.694 -15.993 -17.922 1.00 44.51 H new ATOM 0 HA ILE A 16 11.230 -18.225 -18.785 1.00 5.43 H new ATOM 0 HB ILE A 16 9.100 -16.577 -20.209 1.00 14.43 H new ATOM 0 HG12 ILE A 16 8.530 -19.300 -19.171 1.00 4.22 H new ATOM 0 HG13 ILE A 16 8.793 -18.076 -17.945 1.00 4.22 H new ATOM 0 HG21 ILE A 16 8.844 -18.547 -21.664 1.00 72.21 H new ATOM 0 HG22 ILE A 16 10.473 -17.843 -21.791 1.00 72.21 H new ATOM 0 HG23 ILE A 16 10.217 -19.327 -20.844 1.00 72.21 H new ATOM 0 HD11 ILE A 16 6.418 -18.268 -18.495 1.00 21.14 H new ATOM 0 HD12 ILE A 16 7.038 -16.665 -18.958 1.00 21.14 H new ATOM 0 HD13 ILE A 16 6.771 -17.909 -20.202 1.00 21.14 H new ATOM 280 N LYS A 17 11.729 -15.299 -20.214 1.00 22.22 N ATOM 281 CA LYS A 17 12.627 -14.549 -21.084 1.00 24.05 C ATOM 282 C LYS A 17 13.997 -14.378 -20.434 1.00 12.32 C ATOM 283 O LYS A 17 14.984 -14.961 -20.880 1.00 52.44 O ATOM 284 CB LYS A 17 12.030 -13.178 -21.408 1.00 13.04 C ATOM 285 CG LYS A 17 10.532 -13.212 -21.660 1.00 3.50 C ATOM 286 CD LYS A 17 10.096 -12.083 -22.579 1.00 44.03 C ATOM 287 CE LYS A 17 10.075 -12.526 -24.034 1.00 61.02 C ATOM 288 NZ LYS A 17 11.191 -11.923 -24.814 1.00 64.10 N ATOM 0 H LYS A 17 11.034 -14.728 -19.733 1.00 22.22 H new ATOM 0 HA LYS A 17 12.751 -15.112 -22.009 1.00 24.05 H new ATOM 0 HB2 LYS A 17 12.236 -12.497 -20.582 1.00 13.04 H new ATOM 0 HB3 LYS A 17 12.529 -12.772 -22.288 1.00 13.04 H new ATOM 0 HG2 LYS A 17 10.258 -14.170 -22.103 1.00 3.50 H new ATOM 0 HG3 LYS A 17 10.001 -13.136 -20.711 1.00 3.50 H new ATOM 0 HD2 LYS A 17 9.104 -11.738 -22.288 1.00 44.03 H new ATOM 0 HD3 LYS A 17 10.774 -11.237 -22.465 1.00 44.03 H new ATOM 0 HE2 LYS A 17 10.143 -13.613 -24.084 1.00 61.02 H new ATOM 0 HE3 LYS A 17 9.123 -12.245 -24.485 1.00 61.02 H new ATOM 0 HZ1 LYS A 17 11.013 -12.051 -25.831 1.00 64.10 H new ATOM 0 HZ2 LYS A 17 11.256 -10.908 -24.599 1.00 64.10 H new ATOM 0 HZ3 LYS A 17 12.085 -12.389 -24.558 1.00 64.10 H new ATOM 302 N GLY A 18 14.048 -13.575 -19.375 1.00 44.32 N ATOM 303 CA GLY A 18 15.301 -13.343 -18.681 1.00 3.43 C ATOM 304 C GLY A 18 16.326 -12.643 -19.551 1.00 50.24 C ATOM 305 O GLY A 18 17.514 -12.964 -19.506 1.00 34.25 O ATOM 0 H GLY A 18 13.245 -13.082 -18.986 1.00 44.32 H new ATOM 0 HA2 GLY A 18 15.114 -12.742 -17.791 1.00 3.43 H new ATOM 0 HA3 GLY A 18 15.707 -14.296 -18.342 1.00 3.43 H new ATOM 309 N PHE A 19 15.867 -11.684 -20.349 1.00 34.12 N ATOM 310 CA PHE A 19 16.752 -10.939 -21.236 1.00 55.43 C ATOM 311 C PHE A 19 15.992 -9.824 -21.951 1.00 24.41 C ATOM 312 O PHE A 19 16.546 -8.763 -22.233 1.00 3.20 O ATOM 313 CB PHE A 19 17.388 -11.878 -22.263 1.00 52.43 C ATOM 314 CG PHE A 19 16.519 -12.132 -23.462 1.00 20.43 C ATOM 315 CD1 PHE A 19 15.339 -12.848 -23.339 1.00 12.33 C ATOM 316 CD2 PHE A 19 16.882 -11.656 -24.711 1.00 63.21 C ATOM 317 CE1 PHE A 19 14.538 -13.084 -24.440 1.00 60.21 C ATOM 318 CE2 PHE A 19 16.085 -11.889 -25.816 1.00 63.21 C ATOM 319 CZ PHE A 19 14.911 -12.603 -25.680 1.00 61.40 C ATOM 0 H PHE A 19 14.887 -11.405 -20.399 1.00 34.12 H new ATOM 0 HA PHE A 19 17.538 -10.489 -20.630 1.00 55.43 H new ATOM 0 HB2 PHE A 19 18.335 -11.453 -22.594 1.00 52.43 H new ATOM 0 HB3 PHE A 19 17.616 -12.829 -21.782 1.00 52.43 H new ATOM 0 HD1 PHE A 19 15.042 -13.226 -22.372 1.00 12.33 H new ATOM 0 HD2 PHE A 19 17.799 -11.096 -24.823 1.00 63.21 H new ATOM 0 HE1 PHE A 19 13.621 -13.644 -24.331 1.00 60.21 H new ATOM 0 HE2 PHE A 19 16.380 -11.513 -26.784 1.00 63.21 H new ATOM 0 HZ PHE A 19 14.286 -12.785 -26.541 1.00 61.40 H new ATOM 329 N GLY A 20 14.719 -10.076 -22.242 1.00 4.45 N ATOM 330 CA GLY A 20 13.904 -9.086 -22.921 1.00 44.33 C ATOM 331 C GLY A 20 13.237 -8.124 -21.958 1.00 43.33 C ATOM 332 O GLY A 20 12.036 -7.871 -22.054 1.00 2.25 O ATOM 0 H GLY A 20 14.238 -10.948 -22.020 1.00 4.45 H new ATOM 0 HA2 GLY A 20 14.526 -8.524 -23.618 1.00 44.33 H new ATOM 0 HA3 GLY A 20 13.140 -9.592 -23.512 1.00 44.33 H new ATOM 336 N LYS A 21 14.017 -7.586 -21.026 1.00 60.33 N ATOM 337 CA LYS A 21 13.496 -6.647 -20.041 1.00 12.34 C ATOM 338 C LYS A 21 14.629 -5.876 -19.371 1.00 62.11 C ATOM 339 O LYS A 21 14.492 -5.409 -18.241 1.00 44.33 O ATOM 340 CB LYS A 21 12.675 -7.388 -18.983 1.00 73.23 C ATOM 341 CG LYS A 21 13.203 -8.776 -18.666 1.00 23.40 C ATOM 342 CD LYS A 21 14.643 -8.728 -18.183 1.00 10.25 C ATOM 343 CE LYS A 21 14.768 -7.951 -16.881 1.00 31.12 C ATOM 344 NZ LYS A 21 15.292 -8.801 -15.776 1.00 44.20 N ATOM 0 H LYS A 21 15.013 -7.785 -20.933 1.00 60.33 H new ATOM 0 HA LYS A 21 12.853 -5.936 -20.560 1.00 12.34 H new ATOM 0 HB2 LYS A 21 12.659 -6.797 -18.068 1.00 73.23 H new ATOM 0 HB3 LYS A 21 11.644 -7.470 -19.327 1.00 73.23 H new ATOM 0 HG2 LYS A 21 12.577 -9.239 -17.903 1.00 23.40 H new ATOM 0 HG3 LYS A 21 13.137 -9.403 -19.555 1.00 23.40 H new ATOM 0 HD2 LYS A 21 15.014 -9.743 -18.039 1.00 10.25 H new ATOM 0 HD3 LYS A 21 15.269 -8.265 -18.946 1.00 10.25 H new ATOM 0 HE2 LYS A 21 15.431 -7.098 -17.029 1.00 31.12 H new ATOM 0 HE3 LYS A 21 13.793 -7.552 -16.601 1.00 31.12 H new ATOM 0 HZ1 LYS A 21 15.363 -8.235 -14.906 1.00 44.20 H new ATOM 0 HZ2 LYS A 21 14.647 -9.601 -15.617 1.00 44.20 H new ATOM 0 HZ3 LYS A 21 16.233 -9.161 -16.032 1.00 44.20 H new ATOM 358 N GLY A 22 15.749 -5.746 -20.077 1.00 34.21 N ATOM 359 CA GLY A 22 16.888 -5.030 -19.535 1.00 25.12 C ATOM 360 C GLY A 22 18.200 -5.476 -20.151 1.00 33.24 C ATOM 361 O GLY A 22 19.124 -4.678 -20.305 1.00 32.41 O ATOM 0 H GLY A 22 15.887 -6.124 -21.014 1.00 34.21 H new ATOM 0 HA2 GLY A 22 16.755 -3.961 -19.704 1.00 25.12 H new ATOM 0 HA3 GLY A 22 16.927 -5.180 -18.456 1.00 25.12 H new ATOM 365 N ALA A 23 18.282 -6.755 -20.502 1.00 32.31 N ATOM 366 CA ALA A 23 19.489 -7.306 -21.104 1.00 64.14 C ATOM 367 C ALA A 23 19.633 -6.858 -22.555 1.00 11.32 C ATOM 368 O ALA A 23 20.582 -6.156 -22.906 1.00 71.23 O ATOM 369 CB ALA A 23 19.477 -8.825 -21.018 1.00 74.12 C ATOM 0 H ALA A 23 17.526 -7.429 -20.380 1.00 32.31 H new ATOM 0 HA ALA A 23 20.347 -6.929 -20.547 1.00 64.14 H new ATOM 0 HB1 ALA A 23 20.385 -9.222 -21.472 1.00 74.12 H new ATOM 0 HB2 ALA A 23 19.430 -9.130 -19.973 1.00 74.12 H new ATOM 0 HB3 ALA A 23 18.607 -9.213 -21.548 1.00 74.12 H new ATOM 375 N ILE A 24 18.686 -7.267 -23.392 1.00 61.42 N ATOM 376 CA ILE A 24 18.708 -6.907 -24.804 1.00 71.04 C ATOM 377 C ILE A 24 18.413 -5.423 -24.998 1.00 24.33 C ATOM 378 O ILE A 24 18.887 -4.804 -25.950 1.00 45.41 O ATOM 379 CB ILE A 24 17.687 -7.731 -25.611 1.00 41.14 C ATOM 380 CG1 ILE A 24 17.923 -7.548 -27.112 1.00 5.30 C ATOM 381 CG2 ILE A 24 16.268 -7.327 -25.240 1.00 2.10 C ATOM 382 CD1 ILE A 24 18.454 -8.788 -27.796 1.00 31.20 C ATOM 0 H ILE A 24 17.894 -7.848 -23.117 1.00 61.42 H new ATOM 0 HA ILE A 24 19.711 -7.127 -25.170 1.00 71.04 H new ATOM 0 HB ILE A 24 17.820 -8.785 -25.367 1.00 41.14 H new ATOM 0 HG12 ILE A 24 16.986 -7.255 -27.586 1.00 5.30 H new ATOM 0 HG13 ILE A 24 18.627 -6.730 -27.264 1.00 5.30 H new ATOM 0 HG21 ILE A 24 15.558 -7.918 -25.819 1.00 2.10 H new ATOM 0 HG22 ILE A 24 16.106 -7.504 -24.177 1.00 2.10 H new ATOM 0 HG23 ILE A 24 16.122 -6.269 -25.458 1.00 2.10 H new ATOM 0 HD11 ILE A 24 18.597 -8.585 -28.857 1.00 31.20 H new ATOM 0 HD12 ILE A 24 19.407 -9.070 -27.349 1.00 31.20 H new ATOM 0 HD13 ILE A 24 17.741 -9.604 -27.676 1.00 31.20 H new ATOM 394 N LYS A 25 17.629 -4.858 -24.087 1.00 12.04 N ATOM 395 CA LYS A 25 17.272 -3.446 -24.153 1.00 44.33 C ATOM 396 C LYS A 25 18.509 -2.565 -24.003 1.00 14.13 C ATOM 397 O LYS A 25 18.736 -1.657 -24.802 1.00 33.40 O ATOM 398 CB LYS A 25 16.254 -3.104 -23.064 1.00 15.41 C ATOM 399 CG LYS A 25 14.823 -3.448 -23.439 1.00 73.43 C ATOM 400 CD LYS A 25 13.830 -2.514 -22.769 1.00 13.11 C ATOM 401 CE LYS A 25 13.228 -3.142 -21.521 1.00 62.11 C ATOM 402 NZ LYS A 25 11.783 -3.454 -21.698 1.00 52.45 N ATOM 0 H LYS A 25 17.228 -5.357 -23.293 1.00 12.04 H new ATOM 0 HA LYS A 25 16.827 -3.255 -25.129 1.00 44.33 H new ATOM 0 HB2 LYS A 25 16.519 -3.636 -22.150 1.00 15.41 H new ATOM 0 HB3 LYS A 25 16.316 -2.039 -22.842 1.00 15.41 H new ATOM 0 HG2 LYS A 25 14.706 -3.389 -24.521 1.00 73.43 H new ATOM 0 HG3 LYS A 25 14.608 -4.477 -23.150 1.00 73.43 H new ATOM 0 HD2 LYS A 25 14.328 -1.581 -22.504 1.00 13.11 H new ATOM 0 HD3 LYS A 25 13.035 -2.263 -23.471 1.00 13.11 H new ATOM 0 HE2 LYS A 25 13.770 -4.056 -21.277 1.00 62.11 H new ATOM 0 HE3 LYS A 25 13.352 -2.463 -20.677 1.00 62.11 H new ATOM 0 HZ1 LYS A 25 11.411 -3.880 -20.826 1.00 52.45 H new ATOM 0 HZ2 LYS A 25 11.262 -2.578 -21.905 1.00 52.45 H new ATOM 0 HZ3 LYS A 25 11.666 -4.122 -22.487 1.00 52.45 H new ATOM 416 N GLU A 26 19.304 -2.840 -22.974 1.00 23.41 N ATOM 417 CA GLU A 26 20.518 -2.072 -22.720 1.00 73.45 C ATOM 418 C GLU A 26 21.628 -2.476 -23.686 1.00 44.41 C ATOM 419 O GLU A 26 22.706 -1.882 -23.693 1.00 12.21 O ATOM 420 CB GLU A 26 20.983 -2.274 -21.277 1.00 65.41 C ATOM 421 CG GLU A 26 21.703 -3.593 -21.048 1.00 74.24 C ATOM 422 CD GLU A 26 21.891 -3.907 -19.577 1.00 64.30 C ATOM 423 OE1 GLU A 26 21.480 -3.081 -18.736 1.00 31.31 O ATOM 424 OE2 GLU A 26 22.451 -4.980 -19.267 1.00 71.01 O ATOM 0 H GLU A 26 19.130 -3.588 -22.303 1.00 23.41 H new ATOM 0 HA GLU A 26 20.290 -1.017 -22.876 1.00 73.45 H new ATOM 0 HB2 GLU A 26 21.646 -1.455 -21.000 1.00 65.41 H new ATOM 0 HB3 GLU A 26 20.119 -2.222 -20.615 1.00 65.41 H new ATOM 0 HG2 GLU A 26 21.138 -4.398 -21.518 1.00 74.24 H new ATOM 0 HG3 GLU A 26 22.677 -3.560 -21.536 1.00 74.24 H new ATOM 431 N GLY A 27 21.357 -3.491 -24.501 1.00 11.13 N ATOM 432 CA GLY A 27 22.342 -3.957 -25.459 1.00 23.34 C ATOM 433 C GLY A 27 22.137 -3.363 -26.838 1.00 12.23 C ATOM 434 O GLY A 27 23.087 -2.907 -27.472 1.00 41.30 O ATOM 0 H GLY A 27 20.473 -3.999 -24.515 1.00 11.13 H new ATOM 0 HA2 GLY A 27 23.340 -3.702 -25.102 1.00 23.34 H new ATOM 0 HA3 GLY A 27 22.294 -5.044 -25.524 1.00 23.34 H new ATOM 438 N ASN A 28 20.892 -3.369 -27.304 1.00 21.12 N ATOM 439 CA ASN A 28 20.565 -2.828 -28.618 1.00 64.21 C ATOM 440 C ASN A 28 20.603 -1.303 -28.604 1.00 25.05 C ATOM 441 O ASN A 28 20.966 -0.670 -29.595 1.00 63.24 O ATOM 442 CB ASN A 28 19.183 -3.311 -29.062 1.00 11.31 C ATOM 443 CG ASN A 28 18.066 -2.435 -28.528 1.00 51.21 C ATOM 444 OD1 ASN A 28 17.431 -1.694 -29.278 1.00 53.34 O ATOM 445 ND2 ASN A 28 17.822 -2.516 -27.225 1.00 74.24 N ATOM 0 H ASN A 28 20.093 -3.743 -26.791 1.00 21.12 H new ATOM 0 HA ASN A 28 21.312 -3.185 -29.326 1.00 64.21 H new ATOM 0 HB2 ASN A 28 19.139 -3.327 -30.151 1.00 11.31 H new ATOM 0 HB3 ASN A 28 19.032 -4.335 -28.721 1.00 11.31 H new ATOM 0 HD21 ASN A 28 17.083 -1.950 -26.808 1.00 74.24 H new ATOM 0 HD22 ASN A 28 18.374 -3.144 -26.641 1.00 74.24 H new ATOM 452 N LYS A 29 20.227 -0.718 -27.471 1.00 61.14 N ATOM 453 CA LYS A 29 20.219 0.733 -27.325 1.00 24.51 C ATOM 454 C LYS A 29 21.634 1.266 -27.119 1.00 55.11 C ATOM 455 O LYS A 29 21.916 2.430 -27.405 1.00 34.13 O ATOM 456 CB LYS A 29 19.332 1.142 -26.147 1.00 40.13 C ATOM 457 CG LYS A 29 19.984 0.931 -24.792 1.00 4.31 C ATOM 458 CD LYS A 29 18.978 1.069 -23.661 1.00 64.14 C ATOM 459 CE LYS A 29 19.558 1.848 -22.491 1.00 45.20 C ATOM 460 NZ LYS A 29 19.069 3.254 -22.464 1.00 41.40 N ATOM 0 H LYS A 29 19.924 -1.227 -26.641 1.00 61.14 H new ATOM 0 HA LYS A 29 19.817 1.164 -28.242 1.00 24.51 H new ATOM 0 HB2 LYS A 29 19.065 2.193 -26.252 1.00 40.13 H new ATOM 0 HB3 LYS A 29 18.404 0.572 -26.187 1.00 40.13 H new ATOM 0 HG2 LYS A 29 20.439 -0.059 -24.756 1.00 4.31 H new ATOM 0 HG3 LYS A 29 20.787 1.656 -24.657 1.00 4.31 H new ATOM 0 HD2 LYS A 29 18.084 1.573 -24.028 1.00 64.14 H new ATOM 0 HD3 LYS A 29 18.670 0.079 -23.324 1.00 64.14 H new ATOM 0 HE2 LYS A 29 19.291 1.353 -21.557 1.00 45.20 H new ATOM 0 HE3 LYS A 29 20.646 1.843 -22.555 1.00 45.20 H new ATOM 0 HZ1 LYS A 29 19.487 3.751 -21.652 1.00 41.40 H new ATOM 0 HZ2 LYS A 29 19.345 3.735 -23.344 1.00 41.40 H new ATOM 0 HZ3 LYS A 29 18.033 3.260 -22.377 1.00 41.40 H new ATOM 474 N ASP A 30 22.518 0.408 -26.624 1.00 23.03 N ATOM 475 CA ASP A 30 23.904 0.793 -26.382 1.00 61.44 C ATOM 476 C ASP A 30 24.751 0.589 -27.635 1.00 55.41 C ATOM 477 O ASP A 30 25.972 0.739 -27.603 1.00 42.35 O ATOM 478 CB ASP A 30 24.486 -0.017 -25.222 1.00 53.50 C ATOM 479 CG ASP A 30 24.091 0.544 -23.870 1.00 12.10 C ATOM 480 OD1 ASP A 30 23.062 1.248 -23.798 1.00 2.14 O ATOM 481 OD2 ASP A 30 24.811 0.280 -22.884 1.00 71.43 O ATOM 0 H ASP A 30 22.300 -0.559 -26.382 1.00 23.03 H new ATOM 0 HA ASP A 30 23.921 1.851 -26.121 1.00 61.44 H new ATOM 0 HB2 ASP A 30 24.146 -1.050 -25.297 1.00 53.50 H new ATOM 0 HB3 ASP A 30 25.573 -0.032 -25.302 1.00 53.50 H new ATOM 486 N LYS A 31 24.093 0.246 -28.738 1.00 23.03 N ATOM 487 CA LYS A 31 24.784 0.022 -30.002 1.00 72.21 C ATOM 488 C LYS A 31 25.280 1.338 -30.592 1.00 4.03 C ATOM 489 O LYS A 31 26.254 1.363 -31.345 1.00 0.35 O ATOM 490 CB LYS A 31 23.855 -0.677 -30.997 1.00 54.34 C ATOM 491 CG LYS A 31 23.531 -2.113 -30.623 1.00 12.43 C ATOM 492 CD LYS A 31 24.777 -2.983 -30.620 1.00 14.31 C ATOM 493 CE LYS A 31 24.437 -4.443 -30.878 1.00 2.33 C ATOM 494 NZ LYS A 31 25.290 -5.030 -31.948 1.00 53.44 N ATOM 0 H LYS A 31 23.082 0.117 -28.782 1.00 23.03 H new ATOM 0 HA LYS A 31 25.646 -0.616 -29.808 1.00 72.21 H new ATOM 0 HB2 LYS A 31 22.926 -0.112 -31.072 1.00 54.34 H new ATOM 0 HB3 LYS A 31 24.317 -0.663 -31.984 1.00 54.34 H new ATOM 0 HG2 LYS A 31 23.067 -2.137 -29.637 1.00 12.43 H new ATOM 0 HG3 LYS A 31 22.805 -2.518 -31.327 1.00 12.43 H new ATOM 0 HD2 LYS A 31 25.471 -2.629 -31.383 1.00 14.31 H new ATOM 0 HD3 LYS A 31 25.285 -2.891 -29.660 1.00 14.31 H new ATOM 0 HE2 LYS A 31 24.564 -5.014 -29.958 1.00 2.33 H new ATOM 0 HE3 LYS A 31 23.388 -4.527 -31.163 1.00 2.33 H new ATOM 0 HZ1 LYS A 31 25.028 -6.026 -32.094 1.00 53.44 H new ATOM 0 HZ2 LYS A 31 25.150 -4.502 -32.833 1.00 53.44 H new ATOM 0 HZ3 LYS A 31 26.289 -4.973 -31.666 1.00 53.44 H new ATOM 508 N TRP A 32 24.607 2.428 -30.244 1.00 14.14 N ATOM 509 CA TRP A 32 24.981 3.748 -30.738 1.00 2.32 C ATOM 510 C TRP A 32 26.457 4.029 -30.476 1.00 14.34 C ATOM 511 O TRP A 32 27.100 4.771 -31.219 1.00 33.30 O ATOM 512 CB TRP A 32 24.119 4.826 -30.078 1.00 70.13 C ATOM 513 CG TRP A 32 24.466 5.067 -28.640 1.00 61.33 C ATOM 514 CD1 TRP A 32 24.539 4.132 -27.647 1.00 53.11 C ATOM 515 CD2 TRP A 32 24.786 6.324 -28.035 1.00 12.11 C ATOM 516 NE1 TRP A 32 24.884 4.733 -26.461 1.00 22.14 N ATOM 517 CE2 TRP A 32 25.042 6.077 -26.672 1.00 44.00 C ATOM 518 CE3 TRP A 32 24.882 7.634 -28.512 1.00 5.14 C ATOM 519 CZ2 TRP A 32 25.387 7.092 -25.784 1.00 3.22 C ATOM 520 CZ3 TRP A 32 25.225 8.641 -27.629 1.00 34.33 C ATOM 521 CH2 TRP A 32 25.475 8.365 -26.278 1.00 15.53 C ATOM 0 H TRP A 32 23.799 2.424 -29.621 1.00 14.14 H new ATOM 0 HA TRP A 32 24.812 3.767 -31.815 1.00 2.32 H new ATOM 0 HB2 TRP A 32 24.229 5.758 -30.632 1.00 70.13 H new ATOM 0 HB3 TRP A 32 23.071 4.536 -30.147 1.00 70.13 H new ATOM 0 HD1 TRP A 32 24.353 3.076 -27.775 1.00 53.11 H new ATOM 0 HE1 TRP A 32 25.003 4.256 -25.568 1.00 22.14 H new ATOM 0 HE3 TRP A 32 24.692 7.856 -29.552 1.00 5.14 H new ATOM 0 HZ2 TRP A 32 25.578 6.882 -24.742 1.00 3.22 H new ATOM 0 HZ3 TRP A 32 25.302 9.657 -27.986 1.00 34.33 H new ATOM 0 HH2 TRP A 32 25.742 9.173 -25.613 1.00 15.53 H new ATOM 532 N LYS A 33 26.989 3.433 -29.414 1.00 75.42 N ATOM 533 CA LYS A 33 28.389 3.617 -29.054 1.00 44.12 C ATOM 534 C LYS A 33 29.305 3.205 -30.202 1.00 61.51 C ATOM 535 O LYS A 33 30.434 3.682 -30.310 1.00 54.24 O ATOM 536 CB LYS A 33 28.727 2.805 -27.802 1.00 15.14 C ATOM 537 CG LYS A 33 30.161 2.978 -27.332 1.00 53.14 C ATOM 538 CD LYS A 33 30.973 1.712 -27.544 1.00 22.42 C ATOM 539 CE LYS A 33 32.124 1.616 -26.554 1.00 30.12 C ATOM 540 NZ LYS A 33 31.649 1.291 -25.180 1.00 74.25 N ATOM 0 H LYS A 33 26.470 2.818 -28.787 1.00 75.42 H new ATOM 0 HA LYS A 33 28.548 4.675 -28.847 1.00 44.12 H new ATOM 0 HB2 LYS A 33 28.052 3.097 -26.997 1.00 15.14 H new ATOM 0 HB3 LYS A 33 28.545 1.749 -28.004 1.00 15.14 H new ATOM 0 HG2 LYS A 33 30.625 3.804 -27.872 1.00 53.14 H new ATOM 0 HG3 LYS A 33 30.169 3.244 -26.275 1.00 53.14 H new ATOM 0 HD2 LYS A 33 30.326 0.841 -27.437 1.00 22.42 H new ATOM 0 HD3 LYS A 33 31.364 1.695 -28.561 1.00 22.42 H new ATOM 0 HE2 LYS A 33 32.826 0.851 -26.886 1.00 30.12 H new ATOM 0 HE3 LYS A 33 32.667 2.561 -26.536 1.00 30.12 H new ATOM 0 HZ1 LYS A 33 32.452 0.970 -24.602 1.00 74.25 H new ATOM 0 HZ2 LYS A 33 31.229 2.139 -24.748 1.00 74.25 H new ATOM 0 HZ3 LYS A 33 30.934 0.537 -25.229 1.00 74.25 H new ATOM 554 N ASN A 34 28.811 2.316 -31.058 1.00 35.45 N ATOM 555 CA ASN A 34 29.585 1.840 -32.198 1.00 73.22 C ATOM 556 C ASN A 34 29.339 2.713 -33.425 1.00 1.33 C ATOM 557 O ASN A 34 28.479 2.411 -34.252 1.00 72.03 O ATOM 558 CB ASN A 34 29.226 0.386 -32.514 1.00 4.15 C ATOM 559 CG ASN A 34 29.758 -0.061 -33.861 1.00 63.14 C ATOM 560 OD1 ASN A 34 28.991 -0.348 -34.780 1.00 34.51 O ATOM 561 ND2 ASN A 34 31.079 -0.122 -33.985 1.00 61.25 N ATOM 0 H ASN A 34 27.878 1.911 -30.983 1.00 35.45 H new ATOM 0 HA ASN A 34 30.642 1.898 -31.937 1.00 73.22 H new ATOM 0 HB2 ASN A 34 29.627 -0.262 -31.735 1.00 4.15 H new ATOM 0 HB3 ASN A 34 28.142 0.270 -32.498 1.00 4.15 H new ATOM 0 HD21 ASN A 34 31.495 -0.416 -34.869 1.00 61.25 H new ATOM 0 HD22 ASN A 34 31.677 0.125 -33.197 1.00 61.25 H new ATOM 568 N ILE A 35 30.101 3.797 -33.535 1.00 34.42 N ATOM 569 CA ILE A 35 29.967 4.713 -34.661 1.00 32.43 C ATOM 570 C ILE A 35 30.470 4.075 -35.951 1.00 64.11 C ATOM 571 O ILE A 35 30.294 2.877 -36.174 1.00 52.24 O ATOM 572 CB ILE A 35 30.737 6.023 -34.415 1.00 10.45 C ATOM 573 CG1 ILE A 35 32.216 5.730 -34.157 1.00 4.54 C ATOM 574 CG2 ILE A 35 30.130 6.783 -33.244 1.00 71.33 C ATOM 575 CD1 ILE A 35 33.129 6.890 -34.489 1.00 50.13 C ATOM 0 H ILE A 35 30.817 4.062 -32.858 1.00 34.42 H new ATOM 0 HA ILE A 35 28.905 4.939 -34.760 1.00 32.43 H new ATOM 0 HB ILE A 35 30.659 6.645 -35.306 1.00 10.45 H new ATOM 0 HG12 ILE A 35 32.348 5.463 -33.108 1.00 4.54 H new ATOM 0 HG13 ILE A 35 32.514 4.863 -34.746 1.00 4.54 H new ATOM 0 HG21 ILE A 35 30.686 7.707 -33.083 1.00 71.33 H new ATOM 0 HG22 ILE A 35 29.089 7.019 -33.464 1.00 71.33 H new ATOM 0 HG23 ILE A 35 30.180 6.168 -32.346 1.00 71.33 H new ATOM 0 HD11 ILE A 35 34.162 6.611 -34.281 1.00 50.13 H new ATOM 0 HD12 ILE A 35 33.026 7.143 -35.544 1.00 50.13 H new ATOM 0 HD13 ILE A 35 32.857 7.753 -33.881 1.00 50.13 H new TER 587 ILE A 35