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+ 154:sc= 0.0312 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0459) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.38) USER MOD Single : A 29 LYS NZ :NH3+ -145:sc= -0.0123 (180deg=-0.179) 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=0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.805 -0.274 0.586 1.00 73.14 N ATOM 2 CA LYS A 1 1.971 -1.282 -0.455 1.00 5.02 C ATOM 3 C LYS A 1 3.268 -1.058 -1.227 1.00 11.24 C ATOM 4 O LYS A 1 3.855 0.023 -1.174 1.00 51.24 O ATOM 5 CB LYS A 1 0.781 -1.254 -1.417 1.00 4.55 C ATOM 6 CG LYS A 1 -0.071 -2.510 -1.367 1.00 1.21 C ATOM 7 CD LYS A 1 -1.510 -2.223 -1.763 1.00 23.53 C ATOM 8 CE LYS A 1 -2.401 -3.435 -1.538 1.00 71.34 C ATOM 9 NZ LYS A 1 -1.993 -4.589 -2.388 1.00 13.45 N ATOM 0 H1 LYS A 1 0.793 -0.152 0.793 1.00 73.14 H new ATOM 0 H2 LYS A 1 2.300 -0.580 1.448 1.00 73.14 H new ATOM 0 H3 LYS A 1 2.203 0.630 0.260 1.00 73.14 H new ATOM 0 HA LYS A 1 2.018 -2.259 0.025 1.00 5.02 H new ATOM 0 HB2 LYS A 1 0.156 -0.392 -1.184 1.00 4.55 H new ATOM 0 HB3 LYS A 1 1.149 -1.115 -2.433 1.00 4.55 H new ATOM 0 HG2 LYS A 1 0.348 -3.262 -2.035 1.00 1.21 H new ATOM 0 HG3 LYS A 1 -0.046 -2.928 -0.361 1.00 1.21 H new ATOM 0 HD2 LYS A 1 -1.887 -1.380 -1.184 1.00 23.53 H new ATOM 0 HD3 LYS A 1 -1.549 -1.931 -2.812 1.00 23.53 H new ATOM 0 HE2 LYS A 1 -2.361 -3.725 -0.488 1.00 71.34 H new ATOM 0 HE3 LYS A 1 -3.436 -3.171 -1.757 1.00 71.34 H new ATOM 0 HZ1 LYS A 1 -2.674 -5.366 -2.269 1.00 13.45 H new ATOM 0 HZ2 LYS A 1 -1.974 -4.296 -3.386 1.00 13.45 H new ATOM 0 HZ3 LYS A 1 -1.046 -4.912 -2.104 1.00 13.45 H new ATOM 23 N LYS A 2 3.709 -2.085 -1.944 1.00 22.51 N ATOM 24 CA LYS A 2 4.935 -2.001 -2.730 1.00 13.35 C ATOM 25 C LYS A 2 5.174 -3.292 -3.505 1.00 51.05 C ATOM 26 O LYS A 2 5.673 -3.267 -4.631 1.00 34.33 O ATOM 27 CB LYS A 2 6.130 -1.712 -1.818 1.00 51.25 C ATOM 28 CG LYS A 2 6.267 -2.692 -0.666 1.00 41.40 C ATOM 29 CD LYS A 2 7.535 -2.439 0.132 1.00 21.44 C ATOM 30 CE LYS A 2 8.770 -2.916 -0.617 1.00 52.13 C ATOM 31 NZ LYS A 2 9.725 -3.622 0.280 1.00 24.32 N ATOM 0 H LYS A 2 3.235 -2.987 -1.998 1.00 22.51 H new ATOM 0 HA LYS A 2 4.824 -1.185 -3.444 1.00 13.35 H new ATOM 0 HB2 LYS A 2 7.043 -1.733 -2.412 1.00 51.25 H new ATOM 0 HB3 LYS A 2 6.034 -0.703 -1.416 1.00 51.25 H new ATOM 0 HG2 LYS A 2 5.400 -2.608 -0.010 1.00 41.40 H new ATOM 0 HG3 LYS A 2 6.276 -3.711 -1.053 1.00 41.40 H new ATOM 0 HD2 LYS A 2 7.626 -1.374 0.344 1.00 21.44 H new ATOM 0 HD3 LYS A 2 7.470 -2.951 1.092 1.00 21.44 H new ATOM 0 HE2 LYS A 2 8.469 -3.583 -1.425 1.00 52.13 H new ATOM 0 HE3 LYS A 2 9.268 -2.062 -1.077 1.00 52.13 H new ATOM 0 HZ1 LYS A 2 10.553 -3.931 -0.269 1.00 24.32 H new ATOM 0 HZ2 LYS A 2 10.032 -2.978 1.036 1.00 24.32 H new ATOM 0 HZ3 LYS A 2 9.259 -4.451 0.700 1.00 24.32 H new ATOM 45 N TRP A 3 4.814 -4.417 -2.898 1.00 42.21 N ATOM 46 CA TRP A 3 4.989 -5.718 -3.534 1.00 12.14 C ATOM 47 C TRP A 3 4.016 -5.892 -4.695 1.00 12.34 C ATOM 48 O TRP A 3 4.315 -6.578 -5.671 1.00 25.15 O ATOM 49 CB TRP A 3 4.788 -6.838 -2.512 1.00 65.50 C ATOM 50 CG TRP A 3 3.417 -6.854 -1.909 1.00 15.13 C ATOM 51 CD1 TRP A 3 2.295 -7.426 -2.438 1.00 51.30 C ATOM 52 CD2 TRP A 3 3.022 -6.270 -0.663 1.00 13.33 C ATOM 53 NE1 TRP A 3 1.226 -7.232 -1.596 1.00 4.10 N ATOM 54 CE2 TRP A 3 1.646 -6.526 -0.500 1.00 23.45 C ATOM 55 CE3 TRP A 3 3.696 -5.557 0.332 1.00 43.31 C ATOM 56 CZ2 TRP A 3 0.936 -6.093 0.617 1.00 71.41 C ATOM 57 CZ3 TRP A 3 2.990 -5.127 1.439 1.00 32.42 C ATOM 58 CH2 TRP A 3 1.622 -5.397 1.575 1.00 35.41 C ATOM 0 H TRP A 3 4.399 -4.455 -1.967 1.00 42.21 H new ATOM 0 HA TRP A 3 6.005 -5.770 -3.926 1.00 12.14 H new ATOM 0 HB2 TRP A 3 4.976 -7.797 -2.994 1.00 65.50 H new ATOM 0 HB3 TRP A 3 5.525 -6.731 -1.717 1.00 65.50 H new ATOM 0 HD1 TRP A 3 2.254 -7.953 -3.380 1.00 51.30 H new ATOM 0 HE1 TRP A 3 0.274 -7.560 -1.761 1.00 4.10 H new ATOM 0 HE3 TRP A 3 4.751 -5.346 0.237 1.00 43.31 H new ATOM 0 HZ2 TRP A 3 -0.119 -6.299 0.723 1.00 71.41 H new ATOM 0 HZ3 TRP A 3 3.501 -4.573 2.213 1.00 32.42 H new ATOM 0 HH2 TRP A 3 1.099 -5.049 2.453 1.00 35.41 H new ATOM 69 N GLY A 4 2.849 -5.265 -4.582 1.00 53.42 N ATOM 70 CA GLY A 4 1.850 -5.363 -5.630 1.00 72.03 C ATOM 71 C GLY A 4 2.246 -4.606 -6.882 1.00 2.50 C ATOM 72 O GLY A 4 1.885 -4.996 -7.992 1.00 54.31 O ATOM 0 H GLY A 4 2.578 -4.691 -3.784 1.00 53.42 H new ATOM 0 HA2 GLY A 4 1.691 -6.412 -5.879 1.00 72.03 H new ATOM 0 HA3 GLY A 4 0.901 -4.976 -5.260 1.00 72.03 H new ATOM 76 N TRP A 5 2.989 -3.520 -6.704 1.00 4.55 N ATOM 77 CA TRP A 5 3.434 -2.704 -7.828 1.00 75.35 C ATOM 78 C TRP A 5 4.484 -3.440 -8.653 1.00 73.41 C ATOM 79 O TRP A 5 4.605 -3.223 -9.859 1.00 51.34 O ATOM 80 CB TRP A 5 4.000 -1.374 -7.329 1.00 32.22 C ATOM 81 CG TRP A 5 4.580 -0.528 -8.421 1.00 41.21 C ATOM 82 CD1 TRP A 5 5.861 -0.060 -8.503 1.00 73.31 C ATOM 83 CD2 TRP A 5 3.900 -0.047 -9.586 1.00 21.13 C ATOM 84 NE1 TRP A 5 6.018 0.682 -9.649 1.00 13.14 N ATOM 85 CE2 TRP A 5 4.830 0.705 -10.330 1.00 71.35 C ATOM 86 CE3 TRP A 5 2.597 -0.180 -10.073 1.00 62.20 C ATOM 87 CZ2 TRP A 5 4.496 1.320 -11.534 1.00 14.43 C ATOM 88 CZ3 TRP A 5 2.267 0.432 -11.267 1.00 71.22 C ATOM 89 CH2 TRP A 5 3.213 1.174 -11.987 1.00 72.31 C ATOM 0 H TRP A 5 3.296 -3.184 -5.791 1.00 4.55 H new ATOM 0 HA TRP A 5 2.571 -2.507 -8.464 1.00 75.35 H new ATOM 0 HB2 TRP A 5 3.209 -0.816 -6.828 1.00 32.22 H new ATOM 0 HB3 TRP A 5 4.771 -1.572 -6.584 1.00 32.22 H new ATOM 0 HD1 TRP A 5 6.636 -0.246 -7.774 1.00 73.31 H new ATOM 0 HE1 TRP A 5 6.880 1.141 -9.944 1.00 13.14 H new ATOM 0 HE3 TRP A 5 1.861 -0.751 -9.526 1.00 62.20 H new ATOM 0 HZ2 TRP A 5 5.224 1.892 -12.090 1.00 14.43 H new ATOM 0 HZ3 TRP A 5 1.262 0.337 -11.652 1.00 71.22 H new ATOM 0 HH2 TRP A 5 2.924 1.640 -12.918 1.00 72.31 H new ATOM 100 N LEU A 6 5.241 -4.312 -7.996 1.00 71.13 N ATOM 101 CA LEU A 6 6.282 -5.081 -8.670 1.00 33.33 C ATOM 102 C LEU A 6 5.689 -6.294 -9.380 1.00 41.13 C ATOM 103 O LEU A 6 6.185 -6.718 -10.423 1.00 62.24 O ATOM 104 CB LEU A 6 7.341 -5.533 -7.663 1.00 63.12 C ATOM 105 CG LEU A 6 8.264 -6.663 -8.122 1.00 2.22 C ATOM 106 CD1 LEU A 6 8.960 -6.289 -9.421 1.00 62.03 C ATOM 107 CD2 LEU A 6 9.286 -6.988 -7.042 1.00 32.50 C ATOM 0 H LEU A 6 5.154 -4.504 -6.998 1.00 71.13 H new ATOM 0 HA LEU A 6 6.749 -4.439 -9.416 1.00 33.33 H new ATOM 0 HB2 LEU A 6 7.956 -4.672 -7.401 1.00 63.12 H new ATOM 0 HB3 LEU A 6 6.835 -5.852 -6.752 1.00 63.12 H new ATOM 0 HG LEU A 6 7.658 -7.551 -8.301 1.00 2.22 H new ATOM 0 HD11 LEU A 6 9.612 -7.105 -9.732 1.00 62.03 H new ATOM 0 HD12 LEU A 6 8.214 -6.106 -10.194 1.00 62.03 H new ATOM 0 HD13 LEU A 6 9.554 -5.387 -9.269 1.00 62.03 H new ATOM 0 HD21 LEU A 6 9.934 -7.794 -7.385 1.00 32.50 H new ATOM 0 HD22 LEU A 6 9.887 -6.103 -6.832 1.00 32.50 H new ATOM 0 HD23 LEU A 6 8.769 -7.300 -6.134 1.00 32.50 H new ATOM 119 N ALA A 7 4.624 -6.846 -8.809 1.00 15.30 N ATOM 120 CA ALA A 7 3.961 -8.007 -9.390 1.00 15.41 C ATOM 121 C ALA A 7 3.325 -7.661 -10.732 1.00 74.01 C ATOM 122 O ALA A 7 3.259 -8.498 -11.632 1.00 60.32 O ATOM 123 CB ALA A 7 2.912 -8.550 -8.431 1.00 55.00 C ATOM 0 H ALA A 7 4.202 -6.508 -7.944 1.00 15.30 H new ATOM 0 HA ALA A 7 4.714 -8.777 -9.562 1.00 15.41 H new ATOM 0 HB1 ALA A 7 2.425 -9.417 -8.878 1.00 55.00 H new ATOM 0 HB2 ALA A 7 3.390 -8.844 -7.497 1.00 55.00 H new ATOM 0 HB3 ALA A 7 2.168 -7.779 -8.231 1.00 55.00 H new ATOM 129 N TRP A 8 2.857 -6.424 -10.859 1.00 24.41 N ATOM 130 CA TRP A 8 2.226 -5.969 -12.092 1.00 74.01 C ATOM 131 C TRP A 8 3.231 -5.933 -13.238 1.00 1.13 C ATOM 132 O TRP A 8 2.876 -6.153 -14.396 1.00 32.13 O ATOM 133 CB TRP A 8 1.611 -4.583 -11.893 1.00 11.33 C ATOM 134 CG TRP A 8 0.147 -4.622 -11.573 1.00 61.33 C ATOM 135 CD1 TRP A 8 -0.507 -5.574 -10.845 1.00 33.22 C ATOM 136 CD2 TRP A 8 -0.843 -3.669 -11.974 1.00 35.33 C ATOM 137 NE1 TRP A 8 -1.845 -5.270 -10.768 1.00 72.43 N ATOM 138 CE2 TRP A 8 -2.077 -4.106 -11.452 1.00 22.21 C ATOM 139 CE3 TRP A 8 -0.808 -2.489 -12.720 1.00 55.52 C ATOM 140 CZ2 TRP A 8 -3.262 -3.404 -11.655 1.00 45.52 C ATOM 141 CZ3 TRP A 8 -1.985 -1.792 -12.921 1.00 72.53 C ATOM 142 CH2 TRP A 8 -3.198 -2.251 -12.390 1.00 10.10 C ATOM 0 H TRP A 8 2.903 -5.719 -10.123 1.00 24.41 H new ATOM 0 HA TRP A 8 1.437 -6.676 -12.349 1.00 74.01 H new ATOM 0 HB2 TRP A 8 2.138 -4.072 -11.087 1.00 11.33 H new ATOM 0 HB3 TRP A 8 1.762 -3.993 -12.797 1.00 11.33 H new ATOM 0 HD1 TRP A 8 -0.041 -6.439 -10.396 1.00 33.22 H new ATOM 0 HE1 TRP A 8 -2.551 -5.822 -10.281 1.00 72.43 H new ATOM 0 HE3 TRP A 8 0.122 -2.127 -13.133 1.00 55.52 H new ATOM 0 HZ2 TRP A 8 -4.198 -3.756 -11.247 1.00 45.52 H new ATOM 0 HZ3 TRP A 8 -1.969 -0.878 -13.497 1.00 72.53 H new ATOM 0 HH2 TRP A 8 -4.100 -1.684 -12.564 1.00 10.10 H new ATOM 153 N VAL A 9 4.488 -5.654 -12.908 1.00 22.04 N ATOM 154 CA VAL A 9 5.546 -5.591 -13.909 1.00 54.45 C ATOM 155 C VAL A 9 5.825 -6.967 -14.501 1.00 63.42 C ATOM 156 O VAL A 9 6.236 -7.087 -15.656 1.00 12.52 O ATOM 157 CB VAL A 9 6.849 -5.025 -13.315 1.00 11.12 C ATOM 158 CG1 VAL A 9 7.924 -4.920 -14.386 1.00 74.33 C ATOM 159 CG2 VAL A 9 6.596 -3.672 -12.668 1.00 53.51 C ATOM 0 H VAL A 9 4.799 -5.468 -11.954 1.00 22.04 H new ATOM 0 HA VAL A 9 5.196 -4.924 -14.697 1.00 54.45 H new ATOM 0 HB VAL A 9 7.203 -5.710 -12.545 1.00 11.12 H new ATOM 0 HG11 VAL A 9 8.837 -4.518 -13.947 1.00 74.33 H new ATOM 0 HG12 VAL A 9 8.124 -5.909 -14.798 1.00 74.33 H new ATOM 0 HG13 VAL A 9 7.582 -4.258 -15.181 1.00 74.33 H new ATOM 0 HG21 VAL A 9 7.528 -3.287 -12.254 1.00 53.51 H new ATOM 0 HG22 VAL A 9 6.217 -2.976 -13.416 1.00 53.51 H new ATOM 0 HG23 VAL A 9 5.862 -3.782 -11.870 1.00 53.51 H new ATOM 169 N ASP A 10 5.600 -8.005 -13.703 1.00 21.11 N ATOM 170 CA ASP A 10 5.826 -9.375 -14.148 1.00 23.32 C ATOM 171 C ASP A 10 7.308 -9.623 -14.412 1.00 62.20 C ATOM 172 O ASP A 10 7.737 -9.817 -15.550 1.00 20.23 O ATOM 173 CB ASP A 10 5.015 -9.664 -15.412 1.00 32.44 C ATOM 174 CG ASP A 10 3.659 -8.986 -15.397 1.00 43.30 C ATOM 175 OD1 ASP A 10 2.944 -9.112 -14.381 1.00 41.43 O ATOM 176 OD2 ASP A 10 3.313 -8.329 -16.402 1.00 22.23 O ATOM 0 H ASP A 10 5.261 -7.924 -12.744 1.00 21.11 H new ATOM 0 HA ASP A 10 5.499 -10.047 -13.355 1.00 23.32 H new ATOM 0 HB2 ASP A 10 5.576 -9.329 -16.285 1.00 32.44 H new ATOM 0 HB3 ASP A 10 4.879 -10.741 -15.515 1.00 32.44 H new ATOM 181 N PRO A 11 8.111 -9.616 -13.337 1.00 54.03 N ATOM 182 CA PRO A 11 9.557 -9.838 -13.428 1.00 12.24 C ATOM 183 C PRO A 11 9.901 -11.277 -13.796 1.00 54.14 C ATOM 184 O PRO A 11 10.887 -11.532 -14.486 1.00 62.02 O ATOM 185 CB PRO A 11 10.054 -9.514 -12.017 1.00 21.04 C ATOM 186 CG PRO A 11 8.877 -9.755 -11.135 1.00 64.55 C ATOM 187 CD PRO A 11 7.668 -9.391 -11.951 1.00 33.20 C ATOM 0 HA PRO A 11 10.015 -9.229 -14.207 1.00 12.24 H new ATOM 0 HB2 PRO A 11 10.894 -10.150 -11.738 1.00 21.04 H new ATOM 0 HB3 PRO A 11 10.397 -8.482 -11.946 1.00 21.04 H new ATOM 0 HG2 PRO A 11 8.834 -10.797 -10.817 1.00 64.55 H new ATOM 0 HG3 PRO A 11 8.935 -9.148 -10.231 1.00 64.55 H new ATOM 0 HD2 PRO A 11 6.810 -10.013 -11.697 1.00 33.20 H new ATOM 0 HD3 PRO A 11 7.370 -8.355 -11.788 1.00 33.20 H new ATOM 195 N ALA A 12 9.080 -12.214 -13.333 1.00 1.14 N ATOM 196 CA ALA A 12 9.296 -13.627 -13.616 1.00 65.21 C ATOM 197 C ALA A 12 9.276 -13.895 -15.117 1.00 60.41 C ATOM 198 O ALA A 12 10.153 -14.577 -15.648 1.00 21.53 O ATOM 199 CB ALA A 12 8.246 -14.474 -12.912 1.00 51.55 C ATOM 0 H ALA A 12 8.259 -12.019 -12.760 1.00 1.14 H new ATOM 0 HA ALA A 12 10.281 -13.901 -13.237 1.00 65.21 H new ATOM 0 HB1 ALA A 12 8.420 -15.527 -13.133 1.00 51.55 H new ATOM 0 HB2 ALA A 12 8.311 -14.313 -11.836 1.00 51.55 H new ATOM 0 HB3 ALA A 12 7.254 -14.189 -13.262 1.00 51.55 H new ATOM 205 N TYR A 13 8.270 -13.356 -15.796 1.00 50.50 N ATOM 206 CA TYR A 13 8.134 -13.539 -17.236 1.00 71.50 C ATOM 207 C TYR A 13 9.430 -13.180 -17.956 1.00 61.30 C ATOM 208 O TYR A 13 10.076 -14.037 -18.558 1.00 72.41 O ATOM 209 CB TYR A 13 6.985 -12.685 -17.774 1.00 71.11 C ATOM 210 CG TYR A 13 6.339 -13.253 -19.018 1.00 44.41 C ATOM 211 CD1 TYR A 13 7.093 -13.526 -20.153 1.00 12.11 C ATOM 212 CD2 TYR A 13 4.976 -13.516 -19.058 1.00 73.40 C ATOM 213 CE1 TYR A 13 6.507 -14.044 -21.292 1.00 11.43 C ATOM 214 CE2 TYR A 13 4.381 -14.036 -20.192 1.00 45.50 C ATOM 215 CZ TYR A 13 5.151 -14.297 -21.306 1.00 42.14 C ATOM 216 OH TYR A 13 4.564 -14.814 -22.438 1.00 40.04 O ATOM 0 H TYR A 13 7.536 -12.788 -15.372 1.00 50.50 H new ATOM 0 HA TYR A 13 7.915 -14.590 -17.423 1.00 71.50 H new ATOM 0 HB2 TYR A 13 6.228 -12.579 -16.997 1.00 71.11 H new ATOM 0 HB3 TYR A 13 7.359 -11.685 -17.993 1.00 71.11 H new ATOM 0 HD1 TYR A 13 8.155 -13.330 -20.145 1.00 12.11 H new ATOM 0 HD2 TYR A 13 4.370 -13.311 -18.188 1.00 73.40 H new ATOM 0 HE1 TYR A 13 7.107 -14.250 -22.166 1.00 11.43 H new ATOM 0 HE2 TYR A 13 3.320 -14.237 -20.206 1.00 45.50 H new ATOM 0 HH TYR A 13 3.604 -14.935 -22.283 1.00 40.04 H new ATOM 226 N GLU A 14 9.804 -11.906 -17.888 1.00 32.31 N ATOM 227 CA GLU A 14 11.023 -11.433 -18.533 1.00 53.13 C ATOM 228 C GLU A 14 12.240 -12.202 -18.028 1.00 11.03 C ATOM 229 O GLU A 14 13.195 -12.432 -18.770 1.00 2.33 O ATOM 230 CB GLU A 14 11.211 -9.936 -18.281 1.00 41.54 C ATOM 231 CG GLU A 14 11.260 -9.568 -16.808 1.00 3.40 C ATOM 232 CD GLU A 14 11.431 -8.078 -16.584 1.00 52.41 C ATOM 233 OE1 GLU A 14 10.940 -7.292 -17.423 1.00 23.45 O ATOM 234 OE2 GLU A 14 12.054 -7.697 -15.572 1.00 4.44 O ATOM 0 H GLU A 14 9.281 -11.184 -17.393 1.00 32.31 H new ATOM 0 HA GLU A 14 10.926 -11.605 -19.605 1.00 53.13 H new ATOM 0 HB2 GLU A 14 12.134 -9.609 -18.759 1.00 41.54 H new ATOM 0 HB3 GLU A 14 10.395 -9.391 -18.756 1.00 41.54 H new ATOM 0 HG2 GLU A 14 10.342 -9.901 -16.323 1.00 3.40 H new ATOM 0 HG3 GLU A 14 12.083 -10.100 -16.332 1.00 3.40 H new ATOM 241 N PHE A 15 12.198 -12.597 -16.760 1.00 0.25 N ATOM 242 CA PHE A 15 13.297 -13.339 -16.153 1.00 44.41 C ATOM 243 C PHE A 15 13.472 -14.698 -16.824 1.00 41.34 C ATOM 244 O PHE A 15 14.593 -15.176 -16.999 1.00 23.03 O ATOM 245 CB PHE A 15 13.049 -13.525 -14.655 1.00 24.42 C ATOM 246 CG PHE A 15 14.172 -14.225 -13.944 1.00 24.10 C ATOM 247 CD1 PHE A 15 15.267 -13.513 -13.481 1.00 0.12 C ATOM 248 CD2 PHE A 15 14.133 -15.595 -13.738 1.00 42.35 C ATOM 249 CE1 PHE A 15 16.302 -14.155 -12.827 1.00 50.42 C ATOM 250 CE2 PHE A 15 15.165 -16.242 -13.085 1.00 42.21 C ATOM 251 CZ PHE A 15 16.250 -15.520 -12.628 1.00 25.41 C ATOM 0 H PHE A 15 11.415 -12.416 -16.133 1.00 0.25 H new ATOM 0 HA PHE A 15 14.212 -12.764 -16.294 1.00 44.41 H new ATOM 0 HB2 PHE A 15 12.892 -12.549 -14.197 1.00 24.42 H new ATOM 0 HB3 PHE A 15 12.130 -14.094 -14.515 1.00 24.42 H new ATOM 0 HD1 PHE A 15 15.312 -12.445 -13.633 1.00 0.12 H new ATOM 0 HD2 PHE A 15 13.286 -16.164 -14.092 1.00 42.35 H new ATOM 0 HE1 PHE A 15 17.151 -13.589 -12.472 1.00 50.42 H new ATOM 0 HE2 PHE A 15 15.123 -17.310 -12.932 1.00 42.21 H new ATOM 0 HZ PHE A 15 17.057 -16.023 -12.116 1.00 25.41 H new ATOM 261 N ILE A 16 12.356 -15.314 -17.198 1.00 71.12 N ATOM 262 CA ILE A 16 12.385 -16.617 -17.850 1.00 62.25 C ATOM 263 C ILE A 16 12.950 -16.512 -19.263 1.00 22.41 C ATOM 264 O ILE A 16 13.705 -17.377 -19.708 1.00 22.34 O ATOM 265 CB ILE A 16 10.980 -17.245 -17.917 1.00 25.21 C ATOM 266 CG1 ILE A 16 10.401 -17.401 -16.510 1.00 14.04 C ATOM 267 CG2 ILE A 16 11.035 -18.591 -18.625 1.00 53.52 C ATOM 268 CD1 ILE A 16 8.924 -17.085 -16.426 1.00 74.22 C ATOM 0 H ILE A 16 11.420 -14.932 -17.061 1.00 71.12 H new ATOM 0 HA ILE A 16 13.031 -17.256 -17.249 1.00 62.25 H new ATOM 0 HB ILE A 16 10.328 -16.583 -18.487 1.00 25.21 H new ATOM 0 HG12 ILE A 16 10.566 -18.423 -16.169 1.00 14.04 H new ATOM 0 HG13 ILE A 16 10.944 -16.747 -15.828 1.00 14.04 H new ATOM 0 HG21 ILE A 16 10.035 -19.022 -18.665 1.00 53.52 H new ATOM 0 HG22 ILE A 16 11.411 -18.454 -19.639 1.00 53.52 H new ATOM 0 HG23 ILE A 16 11.698 -19.262 -18.079 1.00 53.52 H new ATOM 0 HD11 ILE A 16 8.582 -17.217 -15.400 1.00 74.22 H new ATOM 0 HD12 ILE A 16 8.754 -16.054 -16.736 1.00 74.22 H new ATOM 0 HD13 ILE A 16 8.370 -17.756 -17.082 1.00 74.22 H new ATOM 280 N LYS A 17 12.581 -15.446 -19.964 1.00 50.13 N ATOM 281 CA LYS A 17 13.053 -15.224 -21.326 1.00 74.30 C ATOM 282 C LYS A 17 14.498 -14.736 -21.329 1.00 32.43 C ATOM 283 O LYS A 17 15.393 -15.419 -21.826 1.00 14.14 O ATOM 284 CB LYS A 17 12.158 -14.207 -22.038 1.00 44.21 C ATOM 285 CG LYS A 17 10.683 -14.359 -21.710 1.00 2.21 C ATOM 286 CD LYS A 17 9.805 -13.833 -22.833 1.00 60.42 C ATOM 287 CE LYS A 17 9.368 -14.951 -23.768 1.00 13.11 C ATOM 288 NZ LYS A 17 8.397 -14.471 -24.790 1.00 43.24 N ATOM 0 H LYS A 17 11.956 -14.721 -19.611 1.00 50.13 H new ATOM 0 HA LYS A 17 13.008 -16.174 -21.859 1.00 74.30 H new ATOM 0 HB2 LYS A 17 12.480 -13.201 -21.768 1.00 44.21 H new ATOM 0 HB3 LYS A 17 12.294 -14.307 -23.115 1.00 44.21 H new ATOM 0 HG2 LYS A 17 10.456 -15.410 -21.531 1.00 2.21 H new ATOM 0 HG3 LYS A 17 10.457 -13.822 -20.789 1.00 2.21 H new ATOM 0 HD2 LYS A 17 8.926 -13.345 -22.411 1.00 60.42 H new ATOM 0 HD3 LYS A 17 10.349 -13.076 -23.398 1.00 60.42 H new ATOM 0 HE2 LYS A 17 10.242 -15.370 -24.266 1.00 13.11 H new ATOM 0 HE3 LYS A 17 8.916 -15.755 -23.187 1.00 13.11 H new ATOM 0 HZ1 LYS A 17 8.124 -15.262 -25.408 1.00 43.24 H new ATOM 0 HZ2 LYS A 17 7.552 -14.094 -24.316 1.00 43.24 H new ATOM 0 HZ3 LYS A 17 8.837 -13.722 -25.362 1.00 43.24 H new ATOM 302 N GLY A 18 14.719 -13.551 -20.769 1.00 13.15 N ATOM 303 CA GLY A 18 16.057 -12.993 -20.716 1.00 64.10 C ATOM 304 C GLY A 18 16.369 -12.118 -21.914 1.00 75.43 C ATOM 305 O GLY A 18 17.534 -11.863 -22.220 1.00 15.33 O ATOM 0 H GLY A 18 13.995 -12.967 -20.351 1.00 13.15 H new ATOM 0 HA2 GLY A 18 16.167 -12.407 -19.804 1.00 64.10 H new ATOM 0 HA3 GLY A 18 16.784 -13.804 -20.663 1.00 64.10 H new ATOM 309 N PHE A 19 15.325 -11.659 -22.597 1.00 33.34 N ATOM 310 CA PHE A 19 15.492 -10.810 -23.770 1.00 61.34 C ATOM 311 C PHE A 19 14.150 -10.250 -24.232 1.00 2.51 C ATOM 312 O PHE A 19 13.104 -10.862 -24.023 1.00 61.44 O ATOM 313 CB PHE A 19 16.146 -11.598 -24.907 1.00 64.40 C ATOM 314 CG PHE A 19 15.273 -12.687 -25.462 1.00 53.32 C ATOM 315 CD1 PHE A 19 14.339 -12.409 -26.448 1.00 4.21 C ATOM 316 CD2 PHE A 19 15.385 -13.988 -24.999 1.00 1.40 C ATOM 317 CE1 PHE A 19 13.534 -13.408 -26.960 1.00 32.31 C ATOM 318 CE2 PHE A 19 14.582 -14.991 -25.507 1.00 64.45 C ATOM 319 CZ PHE A 19 13.656 -14.701 -26.490 1.00 62.40 C ATOM 0 H PHE A 19 14.354 -11.861 -22.358 1.00 33.34 H new ATOM 0 HA PHE A 19 16.139 -9.977 -23.495 1.00 61.34 H new ATOM 0 HB2 PHE A 19 16.410 -10.910 -25.710 1.00 64.40 H new ATOM 0 HB3 PHE A 19 17.076 -12.037 -24.546 1.00 64.40 H new ATOM 0 HD1 PHE A 19 14.240 -11.400 -26.820 1.00 4.21 H new ATOM 0 HD2 PHE A 19 16.109 -14.221 -24.232 1.00 1.40 H new ATOM 0 HE1 PHE A 19 12.810 -13.178 -27.727 1.00 32.31 H new ATOM 0 HE2 PHE A 19 14.678 -16.001 -25.136 1.00 64.45 H new ATOM 0 HZ PHE A 19 13.029 -15.484 -26.890 1.00 62.40 H new ATOM 329 N GLY A 20 14.189 -9.078 -24.860 1.00 64.43 N ATOM 330 CA GLY A 20 12.971 -8.453 -25.341 1.00 60.41 C ATOM 331 C GLY A 20 12.426 -7.423 -24.372 1.00 25.12 C ATOM 332 O GLY A 20 11.213 -7.276 -24.227 1.00 53.43 O ATOM 0 H GLY A 20 15.043 -8.551 -25.044 1.00 64.43 H new ATOM 0 HA2 GLY A 20 13.166 -7.976 -26.302 1.00 60.41 H new ATOM 0 HA3 GLY A 20 12.216 -9.220 -25.513 1.00 60.41 H new ATOM 336 N LYS A 21 13.326 -6.708 -23.704 1.00 35.55 N ATOM 337 CA LYS A 21 12.930 -5.686 -22.742 1.00 31.42 C ATOM 338 C LYS A 21 14.094 -4.751 -22.432 1.00 24.45 C ATOM 339 O LYS A 21 14.154 -4.154 -21.358 1.00 0.41 O ATOM 340 CB LYS A 21 12.427 -6.338 -21.452 1.00 25.24 C ATOM 341 CG LYS A 21 13.408 -7.330 -20.849 1.00 73.05 C ATOM 342 CD LYS A 21 14.394 -6.644 -19.918 1.00 74.44 C ATOM 343 CE LYS A 21 14.629 -7.461 -18.657 1.00 1.00 C ATOM 344 NZ LYS A 21 15.938 -7.139 -18.024 1.00 62.12 N ATOM 0 H LYS A 21 14.334 -6.818 -23.811 1.00 35.55 H new ATOM 0 HA LYS A 21 12.124 -5.100 -23.183 1.00 31.42 H new ATOM 0 HB2 LYS A 21 12.215 -5.559 -20.720 1.00 25.24 H new ATOM 0 HB3 LYS A 21 11.486 -6.849 -21.656 1.00 25.24 H new ATOM 0 HG2 LYS A 21 12.861 -8.096 -20.300 1.00 73.05 H new ATOM 0 HG3 LYS A 21 13.951 -7.836 -21.647 1.00 73.05 H new ATOM 0 HD2 LYS A 21 15.341 -6.492 -20.436 1.00 74.44 H new ATOM 0 HD3 LYS A 21 14.016 -5.658 -19.649 1.00 74.44 H new ATOM 0 HE2 LYS A 21 13.825 -7.271 -17.946 1.00 1.00 H new ATOM 0 HE3 LYS A 21 14.595 -8.523 -18.900 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 16.061 -7.716 -17.168 1.00 62.12 H new ATOM 0 HZ2 LYS A 21 16.707 -7.344 -18.693 1.00 62.12 H new ATOM 0 HZ3 LYS A 21 15.961 -6.131 -17.768 1.00 62.12 H new ATOM 358 N GLY A 22 15.018 -4.629 -23.380 1.00 2.20 N ATOM 359 CA GLY A 22 16.168 -3.764 -23.189 1.00 14.34 C ATOM 360 C GLY A 22 17.448 -4.542 -22.963 1.00 63.52 C ATOM 361 O GLY A 22 18.542 -3.981 -23.020 1.00 20.22 O ATOM 0 H GLY A 22 14.991 -5.114 -24.277 1.00 2.20 H new ATOM 0 HA2 GLY A 22 16.286 -3.123 -24.063 1.00 14.34 H new ATOM 0 HA3 GLY A 22 15.989 -3.110 -22.336 1.00 14.34 H new ATOM 365 N ALA A 23 17.313 -5.839 -22.705 1.00 71.24 N ATOM 366 CA ALA A 23 18.468 -6.696 -22.471 1.00 25.11 C ATOM 367 C ALA A 23 19.209 -6.987 -23.772 1.00 20.23 C ATOM 368 O ALA A 23 20.363 -6.593 -23.941 1.00 64.41 O ATOM 369 CB ALA A 23 18.036 -7.994 -21.805 1.00 64.34 C ATOM 0 H ALA A 23 16.414 -6.319 -22.653 1.00 71.24 H new ATOM 0 HA ALA A 23 19.151 -6.169 -21.805 1.00 25.11 H new ATOM 0 HB1 ALA A 23 18.909 -8.624 -21.636 1.00 64.34 H new ATOM 0 HB2 ALA A 23 17.559 -7.772 -20.851 1.00 64.34 H new ATOM 0 HB3 ALA A 23 17.330 -8.517 -22.451 1.00 64.34 H new ATOM 375 N ILE A 24 18.538 -7.679 -24.687 1.00 25.13 N ATOM 376 CA ILE A 24 19.134 -8.022 -25.972 1.00 72.12 C ATOM 377 C ILE A 24 19.072 -6.844 -26.938 1.00 61.15 C ATOM 378 O ILE A 24 19.943 -6.682 -27.794 1.00 55.10 O ATOM 379 CB ILE A 24 18.431 -9.234 -26.612 1.00 64.04 C ATOM 380 CG1 ILE A 24 19.282 -9.801 -27.751 1.00 31.21 C ATOM 381 CG2 ILE A 24 17.052 -8.840 -27.120 1.00 4.22 C ATOM 382 CD1 ILE A 24 20.392 -10.713 -27.279 1.00 24.50 C ATOM 0 H ILE A 24 17.582 -8.013 -24.562 1.00 25.13 H new ATOM 0 HA ILE A 24 20.176 -8.276 -25.779 1.00 72.12 H new ATOM 0 HB ILE A 24 18.310 -10.007 -25.853 1.00 64.04 H new ATOM 0 HG12 ILE A 24 18.637 -10.351 -28.436 1.00 31.21 H new ATOM 0 HG13 ILE A 24 19.716 -8.976 -28.315 1.00 31.21 H new ATOM 0 HG21 ILE A 24 16.568 -9.707 -27.569 1.00 4.22 H new ATOM 0 HG22 ILE A 24 16.448 -8.478 -26.288 1.00 4.22 H new ATOM 0 HG23 ILE A 24 17.151 -8.052 -27.867 1.00 4.22 H new ATOM 0 HD11 ILE A 24 20.954 -11.078 -28.139 1.00 24.50 H new ATOM 0 HD12 ILE A 24 21.060 -10.161 -26.617 1.00 24.50 H new ATOM 0 HD13 ILE A 24 19.964 -11.558 -26.740 1.00 24.50 H new ATOM 394 N LYS A 25 18.038 -6.022 -26.795 1.00 61.12 N ATOM 395 CA LYS A 25 17.863 -4.856 -27.653 1.00 13.25 C ATOM 396 C LYS A 25 19.115 -3.985 -27.649 1.00 13.42 C ATOM 397 O LYS A 25 19.625 -3.612 -28.705 1.00 22.23 O ATOM 398 CB LYS A 25 16.656 -4.035 -27.191 1.00 61.14 C ATOM 399 CG LYS A 25 15.363 -4.405 -27.898 1.00 3.30 C ATOM 400 CD LYS A 25 14.332 -3.293 -27.792 1.00 25.31 C ATOM 401 CE LYS A 25 13.280 -3.608 -26.739 1.00 44.44 C ATOM 402 NZ LYS A 25 12.516 -2.394 -26.340 1.00 12.23 N ATOM 0 H LYS A 25 17.308 -6.142 -26.093 1.00 61.12 H new ATOM 0 HA LYS A 25 17.689 -5.207 -28.670 1.00 13.25 H new ATOM 0 HB2 LYS A 25 16.525 -4.170 -26.117 1.00 61.14 H new ATOM 0 HB3 LYS A 25 16.861 -2.977 -27.357 1.00 61.14 H new ATOM 0 HG2 LYS A 25 15.568 -4.614 -28.948 1.00 3.30 H new ATOM 0 HG3 LYS A 25 14.959 -5.320 -27.464 1.00 3.30 H new ATOM 0 HD2 LYS A 25 14.830 -2.356 -27.542 1.00 25.31 H new ATOM 0 HD3 LYS A 25 13.849 -3.149 -28.759 1.00 25.31 H new ATOM 0 HE2 LYS A 25 12.592 -4.360 -27.126 1.00 44.44 H new ATOM 0 HE3 LYS A 25 13.762 -4.039 -25.861 1.00 44.44 H new ATOM 0 HZ1 LYS A 25 11.809 -2.649 -25.621 1.00 12.23 H new ATOM 0 HZ2 LYS A 25 13.169 -1.686 -25.947 1.00 12.23 H new ATOM 0 HZ3 LYS A 25 12.035 -1.997 -27.173 1.00 12.23 H new ATOM 416 N GLU A 26 19.604 -3.665 -26.455 1.00 4.11 N ATOM 417 CA GLU A 26 20.797 -2.838 -26.316 1.00 24.12 C ATOM 418 C GLU A 26 22.036 -3.584 -26.804 1.00 41.41 C ATOM 419 O GLU A 26 23.107 -2.998 -26.956 1.00 2.44 O ATOM 420 CB GLU A 26 20.985 -2.416 -24.857 1.00 51.41 C ATOM 421 CG GLU A 26 21.573 -3.507 -23.978 1.00 54.12 C ATOM 422 CD GLU A 26 21.731 -3.071 -22.534 1.00 71.14 C ATOM 423 OE1 GLU A 26 21.713 -1.849 -22.278 1.00 24.34 O ATOM 424 OE2 GLU A 26 21.872 -3.953 -21.661 1.00 41.13 O ATOM 0 H GLU A 26 19.193 -3.965 -25.571 1.00 4.11 H new ATOM 0 HA GLU A 26 20.664 -1.948 -26.930 1.00 24.12 H new ATOM 0 HB2 GLU A 26 21.636 -1.542 -24.821 1.00 51.41 H new ATOM 0 HB3 GLU A 26 20.021 -2.112 -24.449 1.00 51.41 H new ATOM 0 HG2 GLU A 26 20.931 -4.387 -24.020 1.00 54.12 H new ATOM 0 HG3 GLU A 26 22.545 -3.802 -24.373 1.00 54.12 H new ATOM 431 N GLY A 27 21.881 -4.881 -27.048 1.00 72.43 N ATOM 432 CA GLY A 27 22.994 -5.687 -27.516 1.00 11.41 C ATOM 433 C GLY A 27 23.284 -5.475 -28.989 1.00 20.24 C ATOM 434 O GLY A 27 24.434 -5.549 -29.418 1.00 64.11 O ATOM 0 H GLY A 27 21.004 -5.389 -26.930 1.00 72.43 H new ATOM 0 HA2 GLY A 27 23.884 -5.445 -26.935 1.00 11.41 H new ATOM 0 HA3 GLY A 27 22.775 -6.740 -27.340 1.00 11.41 H new ATOM 438 N ASN A 28 22.237 -5.213 -29.765 1.00 4.24 N ATOM 439 CA ASN A 28 22.385 -4.992 -31.199 1.00 23.43 C ATOM 440 C ASN A 28 22.804 -3.554 -31.488 1.00 20.04 C ATOM 441 O ASN A 28 23.695 -3.306 -32.300 1.00 24.11 O ATOM 442 CB ASN A 28 21.075 -5.309 -31.922 1.00 70.13 C ATOM 443 CG ASN A 28 20.227 -6.316 -31.169 1.00 43.10 C ATOM 444 OD1 ASN A 28 20.370 -7.525 -31.353 1.00 12.14 O ATOM 445 ND2 ASN A 28 19.339 -5.820 -30.316 1.00 33.23 N ATOM 0 H ASN A 28 21.277 -5.149 -29.425 1.00 4.24 H new ATOM 0 HA ASN A 28 23.165 -5.659 -31.566 1.00 23.43 H new ATOM 0 HB2 ASN A 28 20.506 -4.389 -32.058 1.00 70.13 H new ATOM 0 HB3 ASN A 28 21.297 -5.696 -32.916 1.00 70.13 H new ATOM 0 HD21 ASN A 28 18.740 -6.448 -29.780 1.00 33.23 H new ATOM 0 HD22 ASN A 28 19.256 -4.811 -30.196 1.00 33.23 H new ATOM 452 N LYS A 29 22.155 -2.609 -30.816 1.00 41.44 N ATOM 453 CA LYS A 29 22.460 -1.194 -30.998 1.00 71.41 C ATOM 454 C LYS A 29 23.716 -0.805 -30.225 1.00 51.22 C ATOM 455 O LYS A 29 24.168 0.338 -30.293 1.00 44.21 O ATOM 456 CB LYS A 29 21.280 -0.334 -30.541 1.00 35.31 C ATOM 457 CG LYS A 29 20.841 -0.613 -29.114 1.00 1.54 C ATOM 458 CD LYS A 29 19.334 -0.777 -29.015 1.00 54.52 C ATOM 459 CE LYS A 29 18.606 0.479 -29.470 1.00 14.35 C ATOM 460 NZ LYS A 29 17.839 0.252 -30.726 1.00 42.20 N ATOM 0 H LYS A 29 21.414 -2.797 -30.140 1.00 41.44 H new ATOM 0 HA LYS A 29 22.639 -1.020 -32.059 1.00 71.41 H new ATOM 0 HB2 LYS A 29 21.552 0.718 -30.630 1.00 35.31 H new ATOM 0 HB3 LYS A 29 20.437 -0.503 -31.211 1.00 35.31 H new ATOM 0 HG2 LYS A 29 21.331 -1.517 -28.752 1.00 1.54 H new ATOM 0 HG3 LYS A 29 21.162 0.204 -28.468 1.00 1.54 H new ATOM 0 HD2 LYS A 29 19.018 -1.623 -29.625 1.00 54.52 H new ATOM 0 HD3 LYS A 29 19.059 -1.006 -27.985 1.00 54.52 H new ATOM 0 HE2 LYS A 29 17.927 0.809 -28.684 1.00 14.35 H new ATOM 0 HE3 LYS A 29 19.328 1.281 -29.625 1.00 14.35 H new ATOM 0 HZ1 LYS A 29 17.862 1.114 -31.307 1.00 42.20 H new ATOM 0 HZ2 LYS A 29 18.266 -0.535 -31.256 1.00 42.20 H new ATOM 0 HZ3 LYS A 29 16.853 0.018 -30.493 1.00 42.20 H new ATOM 474 N ASP A 30 24.275 -1.762 -29.493 1.00 13.34 N ATOM 475 CA ASP A 30 25.480 -1.519 -28.709 1.00 24.01 C ATOM 476 C ASP A 30 26.648 -1.136 -29.613 1.00 22.52 C ATOM 477 O ASP A 30 27.650 -0.588 -29.153 1.00 20.22 O ATOM 478 CB ASP A 30 25.839 -2.759 -27.888 1.00 42.14 C ATOM 479 CG ASP A 30 25.845 -2.485 -26.397 1.00 43.34 C ATOM 480 OD1 ASP A 30 26.188 -1.350 -26.004 1.00 0.21 O ATOM 481 OD2 ASP A 30 25.507 -3.405 -25.624 1.00 53.50 O ATOM 0 H ASP A 30 23.913 -2.713 -29.426 1.00 13.34 H new ATOM 0 HA ASP A 30 25.282 -0.689 -28.031 1.00 24.01 H new ATOM 0 HB2 ASP A 30 25.126 -3.554 -28.105 1.00 42.14 H new ATOM 0 HB3 ASP A 30 26.821 -3.120 -28.192 1.00 42.14 H new ATOM 486 N LYS A 31 26.513 -1.430 -30.902 1.00 21.24 N ATOM 487 CA LYS A 31 27.556 -1.118 -31.871 1.00 51.45 C ATOM 488 C LYS A 31 27.835 0.382 -31.906 1.00 22.41 C ATOM 489 O LYS A 31 28.900 0.814 -32.346 1.00 25.20 O ATOM 490 CB LYS A 31 27.148 -1.603 -33.264 1.00 71.12 C ATOM 491 CG LYS A 31 26.857 -3.093 -33.328 1.00 44.41 C ATOM 492 CD LYS A 31 28.138 -3.911 -33.333 1.00 51.32 C ATOM 493 CE LYS A 31 28.716 -4.032 -34.735 1.00 3.13 C ATOM 494 NZ LYS A 31 29.003 -5.448 -35.096 1.00 0.20 N ATOM 0 H LYS A 31 25.691 -1.884 -31.299 1.00 21.24 H new ATOM 0 HA LYS A 31 28.467 -1.633 -31.565 1.00 51.45 H new ATOM 0 HB2 LYS A 31 26.263 -1.054 -33.586 1.00 71.12 H new ATOM 0 HB3 LYS A 31 27.944 -1.366 -33.970 1.00 71.12 H new ATOM 0 HG2 LYS A 31 26.243 -3.382 -32.475 1.00 44.41 H new ATOM 0 HG3 LYS A 31 26.280 -3.314 -34.226 1.00 44.41 H new ATOM 0 HD2 LYS A 31 28.871 -3.445 -32.675 1.00 51.32 H new ATOM 0 HD3 LYS A 31 27.938 -4.905 -32.934 1.00 51.32 H new ATOM 0 HE2 LYS A 31 28.015 -3.609 -35.455 1.00 3.13 H new ATOM 0 HE3 LYS A 31 29.633 -3.447 -34.801 1.00 3.13 H new ATOM 0 HZ1 LYS A 31 29.395 -5.488 -36.058 1.00 0.20 H new ATOM 0 HZ2 LYS A 31 29.691 -5.845 -34.425 1.00 0.20 H new ATOM 0 HZ3 LYS A 31 28.123 -6.001 -35.058 1.00 0.20 H new ATOM 508 N TRP A 32 26.873 1.169 -31.438 1.00 62.41 N ATOM 509 CA TRP A 32 27.017 2.620 -31.414 1.00 61.23 C ATOM 510 C TRP A 32 28.312 3.027 -30.720 1.00 12.14 C ATOM 511 O TRP A 32 28.893 4.068 -31.028 1.00 13.14 O ATOM 512 CB TRP A 32 25.821 3.260 -30.707 1.00 63.05 C ATOM 513 CG TRP A 32 25.908 3.191 -29.213 1.00 3.42 C ATOM 514 CD1 TRP A 32 25.876 2.065 -28.441 1.00 2.22 C ATOM 515 CD2 TRP A 32 26.040 4.295 -28.310 1.00 53.24 C ATOM 516 NE1 TRP A 32 25.980 2.403 -27.113 1.00 32.42 N ATOM 517 CE2 TRP A 32 26.082 3.764 -27.006 1.00 41.33 C ATOM 518 CE3 TRP A 32 26.128 5.680 -28.477 1.00 72.21 C ATOM 519 CZ2 TRP A 32 26.207 4.571 -25.878 1.00 63.04 C ATOM 520 CZ3 TRP A 32 26.252 6.479 -27.357 1.00 33.04 C ATOM 521 CH2 TRP A 32 26.291 5.923 -26.071 1.00 3.21 C ATOM 0 H TRP A 32 25.985 0.827 -31.070 1.00 62.41 H new ATOM 0 HA TRP A 32 27.053 2.974 -32.444 1.00 61.23 H new ATOM 0 HB2 TRP A 32 25.744 4.304 -31.011 1.00 63.05 H new ATOM 0 HB3 TRP A 32 24.907 2.764 -31.034 1.00 63.05 H new ATOM 0 HD1 TRP A 32 25.783 1.057 -28.818 1.00 2.22 H new ATOM 0 HE1 TRP A 32 25.981 1.746 -26.333 1.00 32.42 H new ATOM 0 HE3 TRP A 32 26.100 6.118 -29.464 1.00 72.21 H new ATOM 0 HZ2 TRP A 32 26.237 4.145 -24.886 1.00 63.04 H new ATOM 0 HZ3 TRP A 32 26.320 7.550 -27.474 1.00 33.04 H new ATOM 0 HH2 TRP A 32 26.389 6.575 -25.215 1.00 3.21 H new ATOM 532 N LYS A 33 28.760 2.201 -29.781 1.00 32.52 N ATOM 533 CA LYS A 33 29.987 2.473 -29.043 1.00 3.53 C ATOM 534 C LYS A 33 31.171 2.626 -29.993 1.00 11.23 C ATOM 535 O LYS A 33 32.156 3.289 -29.670 1.00 52.03 O ATOM 536 CB LYS A 33 30.265 1.350 -28.041 1.00 41.13 C ATOM 537 CG LYS A 33 31.404 1.656 -27.084 1.00 42.24 C ATOM 538 CD LYS A 33 31.136 2.920 -26.285 1.00 3.13 C ATOM 539 CE LYS A 33 31.831 2.882 -24.932 1.00 62.22 C ATOM 540 NZ LYS A 33 31.241 3.861 -23.978 1.00 25.13 N ATOM 0 H LYS A 33 28.291 1.336 -29.513 1.00 32.52 H new ATOM 0 HA LYS A 33 29.855 3.410 -28.501 1.00 3.53 H new ATOM 0 HB2 LYS A 33 29.360 1.156 -27.465 1.00 41.13 H new ATOM 0 HB3 LYS A 33 30.497 0.436 -28.588 1.00 41.13 H new ATOM 0 HG2 LYS A 33 31.544 0.817 -26.403 1.00 42.24 H new ATOM 0 HG3 LYS A 33 32.332 1.769 -27.645 1.00 42.24 H new ATOM 0 HD2 LYS A 33 31.480 3.787 -26.848 1.00 3.13 H new ATOM 0 HD3 LYS A 33 30.062 3.040 -26.140 1.00 3.13 H new ATOM 0 HE2 LYS A 33 31.757 1.878 -24.514 1.00 62.22 H new ATOM 0 HE3 LYS A 33 32.892 3.096 -25.062 1.00 62.22 H new ATOM 0 HZ1 LYS A 33 31.742 3.804 -23.068 1.00 25.13 H new ATOM 0 HZ2 LYS A 33 31.334 4.822 -24.365 1.00 25.13 H new ATOM 0 HZ3 LYS A 33 30.235 3.642 -23.833 1.00 25.13 H new ATOM 554 N ASN A 34 31.066 2.009 -31.165 1.00 41.44 N ATOM 555 CA ASN A 34 32.128 2.078 -32.163 1.00 10.14 C ATOM 556 C ASN A 34 32.103 3.418 -32.893 1.00 31.54 C ATOM 557 O ASN A 34 31.478 3.550 -33.945 1.00 43.45 O ATOM 558 CB ASN A 34 31.986 0.934 -33.168 1.00 64.33 C ATOM 559 CG ASN A 34 32.117 -0.429 -32.516 1.00 12.13 C ATOM 560 OD1 ASN A 34 31.174 -1.221 -32.513 1.00 2.24 O ATOM 561 ND2 ASN A 34 33.289 -0.708 -31.959 1.00 25.15 N ATOM 0 H ASN A 34 30.257 1.456 -31.447 1.00 41.44 H new ATOM 0 HA ASN A 34 33.084 1.984 -31.648 1.00 10.14 H new ATOM 0 HB2 ASN A 34 31.017 1.006 -33.661 1.00 64.33 H new ATOM 0 HB3 ASN A 34 32.746 1.038 -33.942 1.00 64.33 H new ATOM 0 HD21 ASN A 34 33.436 -1.609 -31.505 1.00 25.15 H new ATOM 0 HD22 ASN A 34 34.043 -0.021 -31.985 1.00 25.15 H new ATOM 568 N ILE A 35 32.786 4.406 -32.327 1.00 4.44 N ATOM 569 CA ILE A 35 32.844 5.735 -32.924 1.00 72.43 C ATOM 570 C ILE A 35 33.919 5.806 -34.003 1.00 24.11 C ATOM 571 O ILE A 35 33.619 5.985 -35.183 1.00 61.13 O ATOM 572 CB ILE A 35 33.123 6.817 -31.865 1.00 15.11 C ATOM 573 CG1 ILE A 35 32.110 6.716 -30.722 1.00 53.45 C ATOM 574 CG2 ILE A 35 33.080 8.200 -32.497 1.00 42.31 C ATOM 575 CD1 ILE A 35 30.685 6.991 -31.152 1.00 5.33 C ATOM 0 H ILE A 35 33.307 4.312 -31.455 1.00 4.44 H new ATOM 0 HA ILE A 35 31.869 5.922 -33.373 1.00 72.43 H new ATOM 0 HB ILE A 35 34.121 6.656 -31.457 1.00 15.11 H new ATOM 0 HG12 ILE A 35 32.164 5.718 -30.287 1.00 53.45 H new ATOM 0 HG13 ILE A 35 32.387 7.421 -29.938 1.00 53.45 H new ATOM 0 HG21 ILE A 35 33.279 8.954 -31.736 1.00 42.31 H new ATOM 0 HG22 ILE A 35 33.836 8.266 -33.280 1.00 42.31 H new ATOM 0 HG23 ILE A 35 32.094 8.372 -32.929 1.00 42.31 H new ATOM 0 HD11 ILE A 35 30.022 6.902 -30.292 1.00 5.33 H new ATOM 0 HD12 ILE A 35 30.616 7.999 -31.560 1.00 5.33 H new ATOM 0 HD13 ILE A 35 30.389 6.270 -31.914 1.00 5.33 H new TER 587 ILE A 35