USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 274 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 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0763 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.406 K(o=-0.41,f=-7.5!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.8!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 108:sc= -0.223 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.862 0.387 -0.164 1.00 12.50 N ATOM 2 CA GLY A 1 1.819 -0.348 -0.969 1.00 72.43 C ATOM 3 C GLY A 1 1.153 -1.170 -2.055 1.00 34.20 C ATOM 4 O GLY A 1 -0.075 -1.220 -2.141 1.00 62.23 O ATOM 0 H1 GLY A 1 1.155 1.383 -0.099 1.00 12.50 H new ATOM 0 H2 GLY A 1 -0.078 0.331 -0.605 1.00 12.50 H new ATOM 0 H3 GLY A 1 0.822 -0.025 0.790 1.00 12.50 H new ATOM 0 HA2 GLY A 1 2.519 0.352 -1.425 1.00 72.43 H new ATOM 0 HA3 GLY A 1 2.401 -1.007 -0.325 1.00 72.43 H new ATOM 8 N CYS A 2 1.963 -1.815 -2.888 1.00 34.55 N ATOM 9 CA CYS A 2 1.445 -2.637 -3.975 1.00 24.52 C ATOM 10 C CYS A 2 2.000 -4.057 -3.895 1.00 0.11 C ATOM 11 O CYS A 2 2.937 -4.328 -3.142 1.00 53.12 O ATOM 12 CB CYS A 2 1.801 -2.015 -5.326 1.00 52.34 C ATOM 13 SG CYS A 2 3.587 -1.763 -5.582 1.00 53.53 S ATOM 0 H CYS A 2 2.981 -1.784 -2.831 1.00 34.55 H new ATOM 0 HA CYS A 2 0.360 -2.683 -3.878 1.00 24.52 H new ATOM 0 HB2 CYS A 2 1.418 -2.655 -6.121 1.00 52.34 H new ATOM 0 HB3 CYS A 2 1.293 -1.055 -5.417 1.00 52.34 H new ATOM 18 N LEU A 3 1.416 -4.959 -4.676 1.00 11.12 N ATOM 19 CA LEU A 3 1.851 -6.351 -4.695 1.00 21.24 C ATOM 20 C LEU A 3 2.856 -6.592 -5.816 1.00 63.42 C ATOM 21 O LEU A 3 2.614 -6.235 -6.968 1.00 72.33 O ATOM 22 CB LEU A 3 0.648 -7.280 -4.864 1.00 73.02 C ATOM 23 CG LEU A 3 -0.506 -7.070 -3.883 1.00 22.25 C ATOM 24 CD1 LEU A 3 -1.826 -7.484 -4.514 1.00 10.20 C ATOM 25 CD2 LEU A 3 -0.260 -7.848 -2.597 1.00 55.55 C ATOM 0 H LEU A 3 0.640 -4.751 -5.304 1.00 11.12 H new ATOM 0 HA LEU A 3 2.337 -6.567 -3.744 1.00 21.24 H new ATOM 0 HB2 LEU A 3 0.263 -7.162 -5.877 1.00 73.02 H new ATOM 0 HB3 LEU A 3 0.994 -8.310 -4.772 1.00 73.02 H new ATOM 0 HG LEU A 3 -0.561 -6.009 -3.638 1.00 22.25 H new ATOM 0 HD11 LEU A 3 -2.635 -7.327 -3.801 1.00 10.20 H new ATOM 0 HD12 LEU A 3 -2.007 -6.884 -5.406 1.00 10.20 H new ATOM 0 HD13 LEU A 3 -1.783 -8.538 -4.788 1.00 10.20 H new ATOM 0 HD21 LEU A 3 -1.091 -7.687 -1.910 1.00 55.55 H new ATOM 0 HD22 LEU A 3 -0.178 -8.911 -2.825 1.00 55.55 H new ATOM 0 HD23 LEU A 3 0.665 -7.503 -2.135 1.00 55.55 H new ATOM 37 N GLY A 4 3.986 -7.203 -5.471 1.00 33.32 N ATOM 38 CA GLY A 4 5.010 -7.484 -6.460 1.00 73.01 C ATOM 39 C GLY A 4 4.511 -8.388 -7.570 1.00 42.22 C ATOM 40 O GLY A 4 3.310 -8.634 -7.687 1.00 24.34 O ATOM 0 H GLY A 4 4.210 -7.508 -4.524 1.00 33.32 H new ATOM 0 HA2 GLY A 4 5.363 -6.546 -6.890 1.00 73.01 H new ATOM 0 HA3 GLY A 4 5.865 -7.952 -5.971 1.00 73.01 H new ATOM 44 N ILE A 5 5.434 -8.881 -8.389 1.00 23.34 N ATOM 45 CA ILE A 5 5.081 -9.762 -9.495 1.00 63.11 C ATOM 46 C ILE A 5 4.936 -11.205 -9.024 1.00 72.11 C ATOM 47 O ILE A 5 5.629 -11.642 -8.105 1.00 75.50 O ATOM 48 CB ILE A 5 6.133 -9.704 -10.618 1.00 63.14 C ATOM 49 CG1 ILE A 5 5.688 -10.556 -11.809 1.00 33.14 C ATOM 50 CG2 ILE A 5 7.486 -10.172 -10.102 1.00 52.21 C ATOM 51 CD1 ILE A 5 6.592 -10.429 -13.015 1.00 33.22 C ATOM 0 H ILE A 5 6.432 -8.685 -8.307 1.00 23.34 H new ATOM 0 HA ILE A 5 4.125 -9.412 -9.885 1.00 63.11 H new ATOM 0 HB ILE A 5 6.230 -8.671 -10.951 1.00 63.14 H new ATOM 0 HG12 ILE A 5 5.649 -11.601 -11.503 1.00 33.14 H new ATOM 0 HG13 ILE A 5 4.675 -10.269 -12.092 1.00 33.14 H new ATOM 0 HG21 ILE A 5 8.219 -10.125 -10.908 1.00 52.21 H new ATOM 0 HG22 ILE A 5 7.806 -9.528 -9.283 1.00 52.21 H new ATOM 0 HG23 ILE A 5 7.404 -11.199 -9.745 1.00 52.21 H new ATOM 0 HD11 ILE A 5 6.216 -11.060 -13.820 1.00 33.22 H new ATOM 0 HD12 ILE A 5 6.612 -9.391 -13.347 1.00 33.22 H new ATOM 0 HD13 ILE A 5 7.601 -10.744 -12.748 1.00 33.22 H new ATOM 63 N PHE A 6 4.031 -11.941 -9.661 1.00 63.33 N ATOM 64 CA PHE A 6 3.795 -13.336 -9.308 1.00 60.45 C ATOM 65 C PHE A 6 3.409 -13.468 -7.838 1.00 50.41 C ATOM 66 O PHE A 6 3.869 -14.373 -7.142 1.00 2.55 O ATOM 67 CB PHE A 6 5.041 -14.176 -9.597 1.00 44.31 C ATOM 68 CG PHE A 6 5.321 -14.350 -11.063 1.00 12.54 C ATOM 69 CD1 PHE A 6 4.325 -14.778 -11.925 1.00 72.32 C ATOM 70 CD2 PHE A 6 6.579 -14.084 -11.578 1.00 3.33 C ATOM 71 CE1 PHE A 6 4.580 -14.940 -13.274 1.00 14.21 C ATOM 72 CE2 PHE A 6 6.840 -14.243 -12.926 1.00 31.12 C ATOM 73 CZ PHE A 6 5.838 -14.671 -13.775 1.00 43.31 C ATOM 0 H PHE A 6 3.449 -11.595 -10.424 1.00 63.33 H new ATOM 0 HA PHE A 6 2.969 -13.703 -9.917 1.00 60.45 H new ATOM 0 HB2 PHE A 6 5.903 -13.707 -9.124 1.00 44.31 H new ATOM 0 HB3 PHE A 6 4.921 -15.158 -9.139 1.00 44.31 H new ATOM 0 HD1 PHE A 6 3.338 -14.987 -11.539 1.00 72.32 H new ATOM 0 HD2 PHE A 6 7.365 -13.748 -10.918 1.00 3.33 H new ATOM 0 HE1 PHE A 6 3.796 -15.277 -13.936 1.00 14.21 H new ATOM 0 HE2 PHE A 6 7.825 -14.033 -13.315 1.00 31.12 H new ATOM 0 HZ PHE A 6 6.038 -14.795 -14.829 1.00 43.31 H new ATOM 83 N LYS A 7 2.561 -12.557 -7.372 1.00 31.22 N ATOM 84 CA LYS A 7 2.111 -12.569 -5.985 1.00 31.40 C ATOM 85 C LYS A 7 0.608 -12.818 -5.903 1.00 22.13 C ATOM 86 O LYS A 7 -0.182 -12.115 -6.531 1.00 50.24 O ATOM 87 CB LYS A 7 2.457 -11.244 -5.303 1.00 42.22 C ATOM 88 CG LYS A 7 3.950 -11.015 -5.140 1.00 71.41 C ATOM 89 CD LYS A 7 4.563 -12.010 -4.169 1.00 65.22 C ATOM 90 CE LYS A 7 5.786 -11.430 -3.474 1.00 54.43 C ATOM 91 NZ LYS A 7 6.937 -11.284 -4.407 1.00 41.22 N ATOM 0 H LYS A 7 2.171 -11.801 -7.935 1.00 31.22 H new ATOM 0 HA LYS A 7 2.625 -13.380 -5.470 1.00 31.40 H new ATOM 0 HB2 LYS A 7 2.034 -10.425 -5.884 1.00 42.22 H new ATOM 0 HB3 LYS A 7 1.984 -11.216 -4.321 1.00 42.22 H new ATOM 0 HG2 LYS A 7 4.440 -11.102 -6.110 1.00 71.41 H new ATOM 0 HG3 LYS A 7 4.127 -10.000 -4.783 1.00 71.41 H new ATOM 0 HD2 LYS A 7 3.821 -12.297 -3.423 1.00 65.22 H new ATOM 0 HD3 LYS A 7 4.844 -12.917 -4.705 1.00 65.22 H new ATOM 0 HE2 LYS A 7 5.536 -10.457 -3.051 1.00 54.43 H new ATOM 0 HE3 LYS A 7 6.072 -12.075 -2.643 1.00 54.43 H new ATOM 0 HZ1 LYS A 7 7.750 -10.886 -3.895 1.00 41.22 H new ATOM 0 HZ2 LYS A 7 7.192 -12.216 -4.792 1.00 41.22 H new ATOM 0 HZ3 LYS A 7 6.673 -10.648 -5.187 1.00 41.22 H new ATOM 105 N ALA A 8 0.221 -13.822 -5.123 1.00 30.13 N ATOM 106 CA ALA A 8 -1.187 -14.161 -4.956 1.00 1.41 C ATOM 107 C ALA A 8 -2.007 -12.930 -4.586 1.00 14.32 C ATOM 108 O ALA A 8 -1.525 -12.035 -3.890 1.00 62.25 O ATOM 109 CB ALA A 8 -1.348 -15.242 -3.898 1.00 22.21 C ATOM 0 H ALA A 8 0.863 -14.415 -4.597 1.00 30.13 H new ATOM 0 HA ALA A 8 -1.559 -14.541 -5.907 1.00 1.41 H new ATOM 0 HB1 ALA A 8 -2.404 -15.485 -3.784 1.00 22.21 H new ATOM 0 HB2 ALA A 8 -0.801 -16.134 -4.203 1.00 22.21 H new ATOM 0 HB3 ALA A 8 -0.954 -14.882 -2.948 1.00 22.21 H new ATOM 115 N CYS A 9 -3.250 -12.890 -5.055 1.00 41.41 N ATOM 116 CA CYS A 9 -4.138 -11.768 -4.775 1.00 1.22 C ATOM 117 C CYS A 9 -5.525 -12.013 -5.361 1.00 53.43 C ATOM 118 O CYS A 9 -5.791 -13.069 -5.933 1.00 31.12 O ATOM 119 CB CYS A 9 -3.553 -10.473 -5.343 1.00 32.21 C ATOM 120 SG CYS A 9 -2.936 -10.623 -7.050 1.00 45.51 S ATOM 0 H CYS A 9 -3.665 -13.622 -5.631 1.00 41.41 H new ATOM 0 HA CYS A 9 -4.232 -11.672 -3.693 1.00 1.22 H new ATOM 0 HB2 CYS A 9 -4.318 -9.697 -5.311 1.00 32.21 H new ATOM 0 HB3 CYS A 9 -2.737 -10.143 -4.700 1.00 32.21 H new ATOM 125 N ASN A 10 -6.406 -11.028 -5.215 1.00 44.32 N ATOM 126 CA ASN A 10 -7.766 -11.136 -5.730 1.00 1.31 C ATOM 127 C ASN A 10 -8.056 -10.026 -6.736 1.00 74.31 C ATOM 128 O ASN A 10 -7.633 -8.882 -6.575 1.00 43.42 O ATOM 129 CB ASN A 10 -8.774 -11.075 -4.581 1.00 55.41 C ATOM 130 CG ASN A 10 -8.771 -9.730 -3.880 1.00 30.04 C ATOM 131 OD1 ASN A 10 -7.787 -8.992 -3.932 1.00 62.45 O ATOM 132 ND2 ASN A 10 -9.875 -9.406 -3.217 1.00 54.44 N ATOM 0 H ASN A 10 -6.202 -10.146 -4.744 1.00 44.32 H new ATOM 0 HA ASN A 10 -7.861 -12.096 -6.238 1.00 1.31 H new ATOM 0 HB2 ASN A 10 -9.773 -11.278 -4.967 1.00 55.41 H new ATOM 0 HB3 ASN A 10 -8.545 -11.859 -3.859 1.00 55.41 H new ATOM 0 HD21 ASN A 10 -9.931 -8.515 -2.724 1.00 54.44 H new ATOM 0 HD22 ASN A 10 -10.667 -10.048 -3.201 1.00 54.44 H new ATOM 139 N PRO A 11 -8.797 -10.371 -7.800 1.00 33.33 N ATOM 140 CA PRO A 11 -9.162 -9.419 -8.853 1.00 34.04 C ATOM 141 C PRO A 11 -10.165 -8.377 -8.369 1.00 40.33 C ATOM 142 O PRO A 11 -10.178 -7.244 -8.851 1.00 3.24 O ATOM 143 CB PRO A 11 -9.791 -10.306 -9.931 1.00 3.34 C ATOM 144 CG PRO A 11 -10.294 -11.498 -9.194 1.00 35.52 C ATOM 145 CD PRO A 11 -9.336 -11.718 -8.056 1.00 11.40 C ATOM 0 HA PRO A 11 -8.302 -8.847 -9.201 1.00 34.04 H new ATOM 0 HB2 PRO A 11 -10.600 -9.789 -10.447 1.00 3.34 H new ATOM 0 HB3 PRO A 11 -9.059 -10.588 -10.688 1.00 3.34 H new ATOM 0 HG2 PRO A 11 -11.306 -11.330 -8.825 1.00 35.52 H new ATOM 0 HG3 PRO A 11 -10.333 -12.371 -9.845 1.00 35.52 H new ATOM 0 HD2 PRO A 11 -9.840 -12.123 -7.178 1.00 11.40 H new ATOM 0 HD3 PRO A 11 -8.548 -12.422 -8.324 1.00 11.40 H new ATOM 153 N SER A 12 -11.004 -8.767 -7.415 1.00 3.12 N ATOM 154 CA SER A 12 -12.012 -7.867 -6.869 1.00 14.33 C ATOM 155 C SER A 12 -11.359 -6.680 -6.168 1.00 2.42 C ATOM 156 O SER A 12 -11.914 -5.583 -6.133 1.00 55.40 O ATOM 157 CB SER A 12 -12.919 -8.616 -5.890 1.00 4.33 C ATOM 158 OG SER A 12 -13.503 -7.727 -4.953 1.00 43.13 O ATOM 0 H SER A 12 -11.005 -9.701 -7.004 1.00 3.12 H new ATOM 0 HA SER A 12 -12.614 -7.492 -7.697 1.00 14.33 H new ATOM 0 HB2 SER A 12 -13.703 -9.135 -6.441 1.00 4.33 H new ATOM 0 HB3 SER A 12 -12.342 -9.376 -5.364 1.00 4.33 H new ATOM 0 HG SER A 12 -14.079 -8.230 -4.340 1.00 43.13 H new ATOM 164 N ASN A 13 -10.174 -6.909 -5.610 1.00 52.42 N ATOM 165 CA ASN A 13 -9.444 -5.859 -4.909 1.00 43.01 C ATOM 166 C ASN A 13 -7.984 -5.822 -5.353 1.00 35.42 C ATOM 167 O ASN A 13 -7.080 -5.654 -4.534 1.00 72.34 O ATOM 168 CB ASN A 13 -9.523 -6.076 -3.397 1.00 33.43 C ATOM 169 CG ASN A 13 -9.400 -4.780 -2.619 1.00 23.30 C ATOM 170 OD1 ASN A 13 -9.724 -3.706 -3.126 1.00 22.14 O ATOM 171 ND2 ASN A 13 -8.929 -4.876 -1.381 1.00 45.01 N ATOM 0 H ASN A 13 -9.700 -7.812 -5.630 1.00 52.42 H new ATOM 0 HA ASN A 13 -9.905 -4.903 -5.157 1.00 43.01 H new ATOM 0 HB2 ASN A 13 -10.470 -6.556 -3.151 1.00 33.43 H new ATOM 0 HB3 ASN A 13 -8.731 -6.758 -3.089 1.00 33.43 H new ATOM 0 HD21 ASN A 13 -8.823 -4.038 -0.809 1.00 45.01 H new ATOM 0 HD22 ASN A 13 -8.673 -5.788 -1.002 1.00 45.01 H new ATOM 178 N ASP A 14 -7.763 -5.980 -6.653 1.00 72.21 N ATOM 179 CA ASP A 14 -6.414 -5.964 -7.207 1.00 11.44 C ATOM 180 C ASP A 14 -5.643 -4.740 -6.722 1.00 51.34 C ATOM 181 O ASP A 14 -6.156 -3.621 -6.749 1.00 32.53 O ATOM 182 CB ASP A 14 -6.467 -5.977 -8.735 1.00 41.31 C ATOM 183 CG ASP A 14 -5.177 -5.486 -9.363 1.00 71.52 C ATOM 184 OD1 ASP A 14 -4.095 -5.851 -8.858 1.00 4.14 O ATOM 185 OD2 ASP A 14 -5.250 -4.739 -10.361 1.00 30.22 O ATOM 0 H ASP A 14 -8.501 -6.121 -7.343 1.00 72.21 H new ATOM 0 HA ASP A 14 -5.895 -6.858 -6.862 1.00 11.44 H new ATOM 0 HB2 ASP A 14 -6.673 -6.990 -9.080 1.00 41.31 H new ATOM 0 HB3 ASP A 14 -7.293 -5.351 -9.072 1.00 41.31 H new ATOM 190 N GLN A 15 -4.409 -4.961 -6.280 1.00 54.31 N ATOM 191 CA GLN A 15 -3.569 -3.875 -5.788 1.00 61.42 C ATOM 192 C GLN A 15 -2.107 -4.110 -6.155 1.00 12.30 C ATOM 193 O GLN A 15 -1.202 -3.760 -5.397 1.00 51.40 O ATOM 194 CB GLN A 15 -3.711 -3.740 -4.271 1.00 41.42 C ATOM 195 CG GLN A 15 -4.964 -2.994 -3.842 1.00 32.12 C ATOM 196 CD GLN A 15 -4.802 -2.304 -2.502 1.00 14.22 C ATOM 197 OE1 GLN A 15 -4.251 -1.206 -2.419 1.00 1.14 O ATOM 198 NE2 GLN A 15 -5.284 -2.945 -1.443 1.00 64.03 N ATOM 0 H GLN A 15 -3.969 -5.881 -6.252 1.00 54.31 H new ATOM 0 HA GLN A 15 -3.899 -2.950 -6.260 1.00 61.42 H new ATOM 0 HB2 GLN A 15 -3.720 -4.735 -3.825 1.00 41.42 H new ATOM 0 HB3 GLN A 15 -2.837 -3.222 -3.877 1.00 41.42 H new ATOM 0 HG2 GLN A 15 -5.218 -2.253 -4.600 1.00 32.12 H new ATOM 0 HG3 GLN A 15 -5.798 -3.694 -3.788 1.00 32.12 H new ATOM 0 HE21 GLN A 15 -5.733 -3.854 -1.558 1.00 64.03 H new ATOM 0 HE22 GLN A 15 -5.205 -2.529 -0.515 1.00 64.03 H new ATOM 207 N CYS A 16 -1.883 -4.705 -7.322 1.00 13.41 N ATOM 208 CA CYS A 16 -0.532 -4.987 -7.790 1.00 23.01 C ATOM 209 C CYS A 16 0.229 -3.694 -8.069 1.00 54.22 C ATOM 210 O CYS A 16 -0.345 -2.605 -8.040 1.00 51.43 O ATOM 211 CB CYS A 16 -0.577 -5.848 -9.054 1.00 23.34 C ATOM 212 SG CYS A 16 -1.442 -7.437 -8.840 1.00 62.21 S ATOM 0 H CYS A 16 -2.621 -5.001 -7.961 1.00 13.41 H new ATOM 0 HA CYS A 16 -0.009 -5.533 -7.005 1.00 23.01 H new ATOM 0 HB2 CYS A 16 -1.067 -5.284 -9.848 1.00 23.34 H new ATOM 0 HB3 CYS A 16 0.443 -6.043 -9.384 1.00 23.34 H new ATOM 217 N CYS A 17 1.523 -3.822 -8.340 1.00 42.20 N ATOM 218 CA CYS A 17 2.363 -2.665 -8.625 1.00 25.03 C ATOM 219 C CYS A 17 2.173 -2.195 -10.064 1.00 32.21 C ATOM 220 O CYS A 17 2.911 -2.598 -10.964 1.00 14.05 O ATOM 221 CB CYS A 17 3.835 -3.004 -8.378 1.00 32.20 C ATOM 222 SG CYS A 17 4.236 -3.352 -6.635 1.00 74.23 S ATOM 0 H CYS A 17 2.013 -4.716 -8.368 1.00 42.20 H new ATOM 0 HA CYS A 17 2.065 -1.858 -7.956 1.00 25.03 H new ATOM 0 HB2 CYS A 17 4.103 -3.871 -8.981 1.00 32.20 H new ATOM 0 HB3 CYS A 17 4.451 -2.173 -8.722 1.00 32.20 H new ATOM 227 N LYS A 18 1.178 -1.340 -10.274 1.00 72.13 N ATOM 228 CA LYS A 18 0.889 -0.813 -11.603 1.00 3.12 C ATOM 229 C LYS A 18 2.150 -0.250 -12.250 1.00 44.42 C ATOM 230 O LYS A 18 2.319 -0.320 -13.468 1.00 11.45 O ATOM 231 CB LYS A 18 -0.184 0.275 -11.520 1.00 61.13 C ATOM 232 CG LYS A 18 -1.557 -0.253 -11.143 1.00 73.02 C ATOM 233 CD LYS A 18 -2.209 -0.989 -12.302 1.00 13.22 C ATOM 234 CE LYS A 18 -2.864 -0.023 -13.277 1.00 72.25 C ATOM 235 NZ LYS A 18 -3.793 -0.721 -14.210 1.00 5.04 N ATOM 0 H LYS A 18 0.558 -0.997 -9.541 1.00 72.13 H new ATOM 0 HA LYS A 18 0.520 -1.632 -12.220 1.00 3.12 H new ATOM 0 HB2 LYS A 18 0.123 1.021 -10.787 1.00 61.13 H new ATOM 0 HB3 LYS A 18 -0.251 0.782 -12.483 1.00 61.13 H new ATOM 0 HG2 LYS A 18 -1.468 -0.924 -10.289 1.00 73.02 H new ATOM 0 HG3 LYS A 18 -2.194 0.575 -10.832 1.00 73.02 H new ATOM 0 HD2 LYS A 18 -1.460 -1.583 -12.825 1.00 13.22 H new ATOM 0 HD3 LYS A 18 -2.956 -1.684 -11.919 1.00 13.22 H new ATOM 0 HE2 LYS A 18 -3.411 0.738 -12.721 1.00 72.25 H new ATOM 0 HE3 LYS A 18 -2.094 0.493 -13.850 1.00 72.25 H new ATOM 0 HZ1 LYS A 18 -4.219 -0.028 -14.858 1.00 5.04 H new ATOM 0 HZ2 LYS A 18 -3.266 -1.430 -14.759 1.00 5.04 H new ATOM 0 HZ3 LYS A 18 -4.543 -1.192 -13.665 1.00 5.04 H new ATOM 249 N SER A 19 3.034 0.307 -11.428 1.00 40.31 N ATOM 250 CA SER A 19 4.279 0.885 -11.921 1.00 71.44 C ATOM 251 C SER A 19 5.056 -0.131 -12.753 1.00 44.24 C ATOM 252 O SER A 19 5.707 0.224 -13.736 1.00 63.32 O ATOM 253 CB SER A 19 5.139 1.369 -10.753 1.00 3.11 C ATOM 254 OG SER A 19 5.597 0.280 -9.970 1.00 71.14 O ATOM 0 H SER A 19 2.911 0.370 -10.417 1.00 40.31 H new ATOM 0 HA SER A 19 4.030 1.735 -12.556 1.00 71.44 H new ATOM 0 HB2 SER A 19 5.992 1.931 -11.134 1.00 3.11 H new ATOM 0 HB3 SER A 19 4.561 2.051 -10.130 1.00 3.11 H new ATOM 0 HG SER A 19 6.146 0.616 -9.231 1.00 71.14 H new ATOM 260 N SER A 20 4.983 -1.396 -12.352 1.00 2.33 N ATOM 261 CA SER A 20 5.683 -2.463 -13.057 1.00 33.41 C ATOM 262 C SER A 20 4.742 -3.190 -14.014 1.00 1.43 C ATOM 263 O SER A 20 4.984 -4.337 -14.390 1.00 14.14 O ATOM 264 CB SER A 20 6.280 -3.457 -12.058 1.00 52.04 C ATOM 265 OG SER A 20 7.696 -3.401 -12.068 1.00 13.43 O ATOM 0 H SER A 20 4.446 -1.707 -11.542 1.00 2.33 H new ATOM 0 HA SER A 20 6.489 -2.014 -13.638 1.00 33.41 H new ATOM 0 HB2 SER A 20 5.911 -3.237 -11.056 1.00 52.04 H new ATOM 0 HB3 SER A 20 5.951 -4.467 -12.304 1.00 52.04 H new ATOM 0 HG SER A 20 8.053 -4.044 -11.420 1.00 13.43 H new ATOM 271 N LYS A 21 3.668 -2.513 -14.404 1.00 53.45 N ATOM 272 CA LYS A 21 2.689 -3.090 -15.318 1.00 64.24 C ATOM 273 C LYS A 21 2.250 -4.471 -14.843 1.00 72.41 C ATOM 274 O LYS A 21 2.426 -5.467 -15.547 1.00 5.31 O ATOM 275 CB LYS A 21 3.274 -3.187 -16.729 1.00 40.04 C ATOM 276 CG LYS A 21 2.234 -3.055 -17.829 1.00 4.11 C ATOM 277 CD LYS A 21 1.495 -4.363 -18.058 1.00 5.24 C ATOM 278 CE LYS A 21 0.255 -4.462 -17.184 1.00 33.14 C ATOM 279 NZ LYS A 21 -0.996 -4.302 -17.976 1.00 11.13 N ATOM 0 H LYS A 21 3.453 -1.563 -14.101 1.00 53.45 H new ATOM 0 HA LYS A 21 1.817 -2.437 -15.337 1.00 64.24 H new ATOM 0 HB2 LYS A 21 4.026 -2.408 -16.856 1.00 40.04 H new ATOM 0 HB3 LYS A 21 3.785 -4.144 -16.836 1.00 40.04 H new ATOM 0 HG2 LYS A 21 1.521 -2.275 -17.565 1.00 4.11 H new ATOM 0 HG3 LYS A 21 2.719 -2.743 -18.754 1.00 4.11 H new ATOM 0 HD2 LYS A 21 1.209 -4.442 -19.107 1.00 5.24 H new ATOM 0 HD3 LYS A 21 2.160 -5.200 -17.845 1.00 5.24 H new ATOM 0 HE2 LYS A 21 0.243 -5.427 -16.678 1.00 33.14 H new ATOM 0 HE3 LYS A 21 0.295 -3.696 -16.409 1.00 33.14 H new ATOM 0 HZ1 LYS A 21 -1.819 -4.376 -17.344 1.00 11.13 H new ATOM 0 HZ2 LYS A 21 -0.997 -3.371 -18.439 1.00 11.13 H new ATOM 0 HZ3 LYS A 21 -1.047 -5.048 -18.699 1.00 11.13 H new ATOM 293 N LEU A 22 1.676 -4.525 -13.646 1.00 73.04 N ATOM 294 CA LEU A 22 1.209 -5.785 -13.078 1.00 11.35 C ATOM 295 C LEU A 22 -0.271 -5.704 -12.718 1.00 32.51 C ATOM 296 O LEU A 22 -0.745 -4.685 -12.216 1.00 4.11 O ATOM 297 CB LEU A 22 2.029 -6.141 -11.836 1.00 75.01 C ATOM 298 CG LEU A 22 3.541 -6.243 -12.037 1.00 11.12 C ATOM 299 CD1 LEU A 22 4.278 -5.734 -10.808 1.00 10.02 C ATOM 300 CD2 LEU A 22 3.942 -7.678 -12.346 1.00 5.15 C ATOM 0 H LEU A 22 1.523 -3.711 -13.050 1.00 73.04 H new ATOM 0 HA LEU A 22 1.339 -6.565 -13.828 1.00 11.35 H new ATOM 0 HB2 LEU A 22 1.834 -5.391 -11.069 1.00 75.01 H new ATOM 0 HB3 LEU A 22 1.669 -7.094 -11.448 1.00 75.01 H new ATOM 0 HG LEU A 22 3.819 -5.619 -12.886 1.00 11.12 H new ATOM 0 HD11 LEU A 22 5.353 -5.814 -10.969 1.00 10.02 H new ATOM 0 HD12 LEU A 22 4.014 -4.691 -10.632 1.00 10.02 H new ATOM 0 HD13 LEU A 22 3.996 -6.331 -9.941 1.00 10.02 H new ATOM 0 HD21 LEU A 22 5.022 -7.732 -12.486 1.00 5.15 H new ATOM 0 HD22 LEU A 22 3.651 -8.324 -11.517 1.00 5.15 H new ATOM 0 HD23 LEU A 22 3.441 -8.008 -13.256 1.00 5.15 H new ATOM 312 N VAL A 23 -0.997 -6.788 -12.976 1.00 53.42 N ATOM 313 CA VAL A 23 -2.423 -6.841 -12.677 1.00 32.42 C ATOM 314 C VAL A 23 -2.840 -8.241 -12.238 1.00 53.34 C ATOM 315 O VAL A 23 -2.426 -9.238 -12.830 1.00 23.02 O ATOM 316 CB VAL A 23 -3.269 -6.424 -13.895 1.00 4.43 C ATOM 317 CG1 VAL A 23 -4.752 -6.503 -13.568 1.00 0.23 C ATOM 318 CG2 VAL A 23 -2.889 -5.023 -14.351 1.00 61.01 C ATOM 0 H VAL A 23 -0.621 -7.640 -13.391 1.00 53.42 H new ATOM 0 HA VAL A 23 -2.602 -6.139 -11.863 1.00 32.42 H new ATOM 0 HB VAL A 23 -3.065 -7.116 -14.712 1.00 4.43 H new ATOM 0 HG11 VAL A 23 -5.333 -6.205 -14.440 1.00 0.23 H new ATOM 0 HG12 VAL A 23 -5.010 -7.526 -13.292 1.00 0.23 H new ATOM 0 HG13 VAL A 23 -4.977 -5.835 -12.736 1.00 0.23 H new ATOM 0 HG21 VAL A 23 -3.496 -4.744 -15.212 1.00 61.01 H new ATOM 0 HG22 VAL A 23 -3.063 -4.316 -13.540 1.00 61.01 H new ATOM 0 HG23 VAL A 23 -1.835 -5.004 -14.628 1.00 61.01 H new ATOM 328 N CYS A 24 -3.664 -8.308 -11.198 1.00 1.22 N ATOM 329 CA CYS A 24 -4.138 -9.585 -10.679 1.00 14.34 C ATOM 330 C CYS A 24 -5.209 -10.179 -11.590 1.00 44.40 C ATOM 331 O CYS A 24 -6.311 -9.642 -11.702 1.00 43.12 O ATOM 332 CB CYS A 24 -4.697 -9.408 -9.265 1.00 71.52 C ATOM 333 SG CYS A 24 -4.543 -10.889 -8.215 1.00 13.11 S ATOM 0 H CYS A 24 -4.017 -7.492 -10.698 1.00 1.22 H new ATOM 0 HA CYS A 24 -3.292 -10.272 -10.646 1.00 14.34 H new ATOM 0 HB2 CYS A 24 -4.180 -8.578 -8.783 1.00 71.52 H new ATOM 0 HB3 CYS A 24 -5.749 -9.132 -9.334 1.00 71.52 H new ATOM 338 N SER A 25 -4.875 -11.290 -12.239 1.00 14.22 N ATOM 339 CA SER A 25 -5.806 -11.955 -13.143 1.00 62.21 C ATOM 340 C SER A 25 -6.886 -12.696 -12.362 1.00 35.52 C ATOM 341 O SER A 25 -6.655 -13.153 -11.242 1.00 73.32 O ATOM 342 CB SER A 25 -5.057 -12.932 -14.052 1.00 3.14 C ATOM 343 OG SER A 25 -5.707 -13.065 -15.303 1.00 73.54 O ATOM 0 H SER A 25 -3.967 -11.748 -12.156 1.00 14.22 H new ATOM 0 HA SER A 25 -6.285 -11.192 -13.757 1.00 62.21 H new ATOM 0 HB2 SER A 25 -4.036 -12.582 -14.205 1.00 3.14 H new ATOM 0 HB3 SER A 25 -4.991 -13.906 -13.568 1.00 3.14 H new ATOM 0 HG SER A 25 -5.208 -13.693 -15.866 1.00 73.54 H new ATOM 349 N ARG A 26 -8.067 -12.812 -12.961 1.00 12.41 N ATOM 350 CA ARG A 26 -9.185 -13.496 -12.322 1.00 3.21 C ATOM 351 C ARG A 26 -9.013 -15.010 -12.403 1.00 0.15 C ATOM 352 O ARG A 26 -9.518 -15.749 -11.557 1.00 60.02 O ATOM 353 CB ARG A 26 -10.504 -13.086 -12.978 1.00 52.24 C ATOM 354 CG ARG A 26 -10.612 -11.594 -13.249 1.00 61.15 C ATOM 355 CD ARG A 26 -12.029 -11.199 -13.634 1.00 11.33 C ATOM 356 NE ARG A 26 -12.532 -11.987 -14.756 1.00 11.33 N ATOM 357 CZ ARG A 26 -13.665 -11.716 -15.394 1.00 71.23 C ATOM 358 NH1 ARG A 26 -14.408 -10.683 -15.024 1.00 15.14 N ATOM 359 NH2 ARG A 26 -14.056 -12.480 -16.406 1.00 52.04 N ATOM 0 H ARG A 26 -8.274 -12.441 -13.888 1.00 12.41 H new ATOM 0 HA ARG A 26 -9.204 -13.205 -11.272 1.00 3.21 H new ATOM 0 HB2 ARG A 26 -10.616 -13.626 -13.918 1.00 52.24 H new ATOM 0 HB3 ARG A 26 -11.330 -13.391 -12.335 1.00 52.24 H new ATOM 0 HG2 ARG A 26 -10.307 -11.039 -12.362 1.00 61.15 H new ATOM 0 HG3 ARG A 26 -9.926 -11.318 -14.050 1.00 61.15 H new ATOM 0 HD2 ARG A 26 -12.688 -11.330 -12.775 1.00 11.33 H new ATOM 0 HD3 ARG A 26 -12.052 -10.141 -13.895 1.00 11.33 H new ATOM 0 HE ARG A 26 -11.983 -12.789 -15.067 1.00 11.33 H new ATOM 0 HH11 ARG A 26 -14.110 -10.093 -14.247 1.00 15.14 H new ATOM 0 HH12 ARG A 26 -15.277 -10.478 -15.516 1.00 15.14 H new ATOM 0 HH21 ARG A 26 -13.486 -13.276 -16.694 1.00 52.04 H new ATOM 0 HH22 ARG A 26 -14.926 -12.272 -16.896 1.00 52.04 H new ATOM 373 N LYS A 27 -8.297 -15.465 -13.425 1.00 74.32 N ATOM 374 CA LYS A 27 -8.058 -16.891 -13.617 1.00 45.44 C ATOM 375 C LYS A 27 -6.779 -17.327 -12.910 1.00 64.31 C ATOM 376 O LYS A 27 -6.721 -18.406 -12.319 1.00 3.15 O ATOM 377 CB LYS A 27 -7.964 -17.216 -15.110 1.00 33.42 C ATOM 378 CG LYS A 27 -8.316 -18.656 -15.441 1.00 61.50 C ATOM 379 CD LYS A 27 -8.418 -18.875 -16.941 1.00 43.43 C ATOM 380 CE LYS A 27 -8.097 -20.313 -17.318 1.00 53.14 C ATOM 381 NZ LYS A 27 -9.239 -21.227 -17.038 1.00 61.22 N ATOM 0 H LYS A 27 -7.872 -14.867 -14.134 1.00 74.32 H new ATOM 0 HA LYS A 27 -8.896 -17.437 -13.184 1.00 45.44 H new ATOM 0 HB2 LYS A 27 -8.630 -16.552 -15.661 1.00 33.42 H new ATOM 0 HB3 LYS A 27 -6.951 -17.010 -15.455 1.00 33.42 H new ATOM 0 HG2 LYS A 27 -7.559 -19.321 -15.026 1.00 61.50 H new ATOM 0 HG3 LYS A 27 -9.263 -18.918 -14.969 1.00 61.50 H new ATOM 0 HD2 LYS A 27 -9.424 -18.625 -17.279 1.00 43.43 H new ATOM 0 HD3 LYS A 27 -7.733 -18.201 -17.455 1.00 43.43 H new ATOM 0 HE2 LYS A 27 -7.843 -20.363 -18.377 1.00 53.14 H new ATOM 0 HE3 LYS A 27 -7.220 -20.647 -16.764 1.00 53.14 H new ATOM 0 HZ1 LYS A 27 -8.981 -22.198 -17.308 1.00 61.22 H new ATOM 0 HZ2 LYS A 27 -9.466 -21.199 -16.023 1.00 61.22 H new ATOM 0 HZ3 LYS A 27 -10.069 -20.924 -17.587 1.00 61.22 H new ATOM 395 N THR A 28 -5.754 -16.482 -12.973 1.00 73.15 N ATOM 396 CA THR A 28 -4.477 -16.781 -12.339 1.00 43.41 C ATOM 397 C THR A 28 -4.488 -16.385 -10.867 1.00 41.20 C ATOM 398 O THR A 28 -3.824 -17.011 -10.041 1.00 45.11 O ATOM 399 CB THR A 28 -3.316 -16.055 -13.045 1.00 63.22 C ATOM 400 OG1 THR A 28 -3.168 -14.734 -12.513 1.00 41.14 O ATOM 401 CG2 THR A 28 -3.557 -15.980 -14.545 1.00 54.52 C ATOM 0 H THR A 28 -5.784 -15.585 -13.457 1.00 73.15 H new ATOM 0 HA THR A 28 -4.327 -17.857 -12.422 1.00 43.41 H new ATOM 0 HB THR A 28 -2.402 -16.621 -12.868 1.00 63.22 H new ATOM 0 HG1 THR A 28 -2.354 -14.690 -11.969 1.00 41.14 H new ATOM 0 HG21 THR A 28 -2.724 -15.463 -15.022 1.00 54.52 H new ATOM 0 HG22 THR A 28 -3.639 -16.988 -14.951 1.00 54.52 H new ATOM 0 HG23 THR A 28 -4.481 -15.435 -14.738 1.00 54.52 H new ATOM 409 N ARG A 29 -5.247 -15.342 -10.545 1.00 60.42 N ATOM 410 CA ARG A 29 -5.344 -14.863 -9.172 1.00 21.02 C ATOM 411 C ARG A 29 -3.981 -14.408 -8.657 1.00 54.34 C ATOM 412 O ARG A 29 -3.684 -14.528 -7.469 1.00 21.11 O ATOM 413 CB ARG A 29 -5.903 -15.960 -8.264 1.00 61.43 C ATOM 414 CG ARG A 29 -7.410 -16.126 -8.366 1.00 14.31 C ATOM 415 CD ARG A 29 -7.977 -16.833 -7.145 1.00 1.55 C ATOM 416 NE ARG A 29 -8.312 -15.895 -6.076 1.00 54.01 N ATOM 417 CZ ARG A 29 -9.369 -15.090 -6.109 1.00 62.43 C ATOM 418 NH1 ARG A 29 -10.188 -15.109 -7.151 1.00 73.54 N ATOM 419 NH2 ARG A 29 -9.608 -14.265 -5.098 1.00 44.23 N ATOM 0 H ARG A 29 -5.803 -14.813 -11.217 1.00 60.42 H new ATOM 0 HA ARG A 29 -6.022 -14.010 -9.159 1.00 21.02 H new ATOM 0 HB2 ARG A 29 -5.424 -16.906 -8.515 1.00 61.43 H new ATOM 0 HB3 ARG A 29 -5.640 -15.734 -7.231 1.00 61.43 H new ATOM 0 HG2 ARG A 29 -7.879 -15.147 -8.471 1.00 14.31 H new ATOM 0 HG3 ARG A 29 -7.655 -16.695 -9.263 1.00 14.31 H new ATOM 0 HD2 ARG A 29 -8.869 -17.391 -7.431 1.00 1.55 H new ATOM 0 HD3 ARG A 29 -7.252 -17.558 -6.777 1.00 1.55 H new ATOM 0 HE ARG A 29 -7.701 -15.856 -5.260 1.00 54.01 H new ATOM 0 HH11 ARG A 29 -10.008 -15.742 -7.930 1.00 73.54 H new ATOM 0 HH12 ARG A 29 -10.999 -14.490 -7.174 1.00 73.54 H new ATOM 0 HH21 ARG A 29 -8.980 -14.248 -4.294 1.00 44.23 H new ATOM 0 HH22 ARG A 29 -10.420 -13.648 -5.124 1.00 44.23 H new ATOM 433 N TRP A 30 -3.159 -13.886 -9.560 1.00 2.32 N ATOM 434 CA TRP A 30 -1.827 -13.413 -9.197 1.00 54.01 C ATOM 435 C TRP A 30 -1.353 -12.330 -10.160 1.00 71.43 C ATOM 436 O TRP A 30 -1.734 -12.317 -11.331 1.00 54.41 O ATOM 437 CB TRP A 30 -0.835 -14.577 -9.190 1.00 10.23 C ATOM 438 CG TRP A 30 -0.379 -14.977 -10.560 1.00 71.41 C ATOM 439 CD1 TRP A 30 0.287 -14.198 -11.463 1.00 33.23 C ATOM 440 CD2 TRP A 30 -0.557 -16.254 -11.183 1.00 53.14 C ATOM 441 NE1 TRP A 30 0.533 -14.914 -12.610 1.00 1.53 N ATOM 442 CE2 TRP A 30 0.026 -16.178 -12.463 1.00 41.43 C ATOM 443 CE3 TRP A 30 -1.151 -17.454 -10.784 1.00 61.45 C ATOM 444 CZ2 TRP A 30 0.031 -17.256 -13.344 1.00 54.45 C ATOM 445 CZ3 TRP A 30 -1.146 -18.523 -11.660 1.00 61.33 C ATOM 446 CH2 TRP A 30 -0.558 -18.419 -12.928 1.00 2.32 C ATOM 0 H TRP A 30 -3.390 -13.779 -10.548 1.00 2.32 H new ATOM 0 HA TRP A 30 -1.880 -12.985 -8.196 1.00 54.01 H new ATOM 0 HB2 TRP A 30 0.034 -14.301 -8.592 1.00 10.23 H new ATOM 0 HB3 TRP A 30 -1.297 -15.436 -8.704 1.00 10.23 H new ATOM 0 HD1 TRP A 30 0.577 -13.171 -11.300 1.00 33.23 H new ATOM 0 HE1 TRP A 30 1.015 -14.561 -13.437 1.00 1.53 H new ATOM 0 HE3 TRP A 30 -1.606 -17.545 -9.809 1.00 61.45 H new ATOM 0 HZ2 TRP A 30 0.484 -17.177 -14.321 1.00 54.45 H new ATOM 0 HZ3 TRP A 30 -1.603 -19.455 -11.362 1.00 61.33 H new ATOM 0 HH2 TRP A 30 -0.570 -19.273 -13.589 1.00 2.32 H new ATOM 457 N CYS A 31 -0.519 -11.424 -9.661 1.00 72.20 N ATOM 458 CA CYS A 31 0.007 -10.337 -10.477 1.00 64.12 C ATOM 459 C CYS A 31 0.879 -10.878 -11.607 1.00 71.00 C ATOM 460 O CYS A 31 1.955 -11.427 -11.368 1.00 73.23 O ATOM 461 CB CYS A 31 0.817 -9.369 -9.613 1.00 1.42 C ATOM 462 SG CYS A 31 -0.080 -8.744 -8.156 1.00 33.35 S ATOM 0 H CYS A 31 -0.193 -11.421 -8.695 1.00 72.20 H new ATOM 0 HA CYS A 31 -0.837 -9.804 -10.915 1.00 64.12 H new ATOM 0 HB2 CYS A 31 1.726 -9.870 -9.280 1.00 1.42 H new ATOM 0 HB3 CYS A 31 1.126 -8.523 -10.227 1.00 1.42 H new ATOM 467 N LYS A 32 0.407 -10.719 -12.839 1.00 11.32 N ATOM 468 CA LYS A 32 1.142 -11.189 -14.007 1.00 51.21 C ATOM 469 C LYS A 32 1.765 -10.020 -14.764 1.00 72.33 C ATOM 470 O LYS A 32 1.225 -8.914 -14.770 1.00 0.03 O ATOM 471 CB LYS A 32 0.215 -11.976 -14.936 1.00 13.02 C ATOM 472 CG LYS A 32 -0.726 -11.098 -15.743 1.00 31.21 C ATOM 473 CD LYS A 32 -1.954 -11.868 -16.199 1.00 30.42 C ATOM 474 CE LYS A 32 -2.454 -11.372 -17.547 1.00 34.43 C ATOM 475 NZ LYS A 32 -3.249 -12.411 -18.260 1.00 13.55 N ATOM 0 H LYS A 32 -0.482 -10.268 -13.054 1.00 11.32 H new ATOM 0 HA LYS A 32 1.942 -11.844 -13.662 1.00 51.21 H new ATOM 0 HB2 LYS A 32 0.820 -12.571 -15.620 1.00 13.02 H new ATOM 0 HB3 LYS A 32 -0.374 -12.675 -14.341 1.00 13.02 H new ATOM 0 HG2 LYS A 32 -1.034 -10.244 -15.140 1.00 31.21 H new ATOM 0 HG3 LYS A 32 -0.200 -10.702 -16.612 1.00 31.21 H new ATOM 0 HD2 LYS A 32 -1.715 -12.929 -16.266 1.00 30.42 H new ATOM 0 HD3 LYS A 32 -2.745 -11.766 -15.456 1.00 30.42 H new ATOM 0 HE2 LYS A 32 -3.066 -10.482 -17.402 1.00 34.43 H new ATOM 0 HE3 LYS A 32 -1.605 -11.078 -18.164 1.00 34.43 H new ATOM 0 HZ1 LYS A 32 -3.572 -12.035 -19.174 1.00 13.55 H new ATOM 0 HZ2 LYS A 32 -2.657 -13.251 -18.421 1.00 13.55 H new ATOM 0 HZ3 LYS A 32 -4.074 -12.674 -17.683 1.00 13.55 H new ATOM 489 N TRP A 33 2.901 -10.274 -15.403 1.00 2.01 N ATOM 490 CA TRP A 33 3.596 -9.243 -16.165 1.00 2.41 C ATOM 491 C TRP A 33 3.067 -9.171 -17.593 1.00 61.40 C ATOM 492 O TRP A 33 3.289 -10.081 -18.392 1.00 35.14 O ATOM 493 CB TRP A 33 5.101 -9.516 -16.178 1.00 71.34 C ATOM 494 CG TRP A 33 5.931 -8.270 -16.250 1.00 73.32 C ATOM 495 CD1 TRP A 33 5.529 -7.042 -16.693 1.00 31.43 C ATOM 496 CD2 TRP A 33 7.304 -8.132 -15.870 1.00 21.23 C ATOM 497 NE1 TRP A 33 6.570 -6.149 -16.610 1.00 72.22 N ATOM 498 CE2 TRP A 33 7.670 -6.793 -16.108 1.00 14.33 C ATOM 499 CE3 TRP A 33 8.260 -9.009 -15.349 1.00 51.34 C ATOM 500 CZ2 TRP A 33 8.950 -6.313 -15.844 1.00 14.42 C ATOM 501 CZ3 TRP A 33 9.530 -8.531 -15.088 1.00 51.23 C ATOM 502 CH2 TRP A 33 9.865 -7.193 -15.335 1.00 4.22 C ATOM 0 H TRP A 33 3.360 -11.185 -15.409 1.00 2.01 H new ATOM 0 HA TRP A 33 3.412 -8.284 -15.681 1.00 2.41 H new ATOM 0 HB2 TRP A 33 5.370 -10.071 -15.279 1.00 71.34 H new ATOM 0 HB3 TRP A 33 5.340 -10.153 -17.030 1.00 71.34 H new ATOM 0 HD1 TRP A 33 4.539 -6.808 -17.055 1.00 31.43 H new ATOM 0 HE1 TRP A 33 6.530 -5.166 -16.879 1.00 72.22 H new ATOM 0 HE3 TRP A 33 8.010 -10.042 -15.154 1.00 51.34 H new ATOM 0 HZ2 TRP A 33 9.211 -5.282 -16.034 1.00 14.42 H new ATOM 0 HZ3 TRP A 33 10.277 -9.200 -14.687 1.00 51.23 H new ATOM 0 HH2 TRP A 33 10.866 -6.850 -15.119 1.00 4.22 H new ATOM 513 N GLN A 34 2.368 -8.086 -17.907 1.00 50.52 N ATOM 514 CA GLN A 34 1.807 -7.898 -19.240 1.00 45.41 C ATOM 515 C GLN A 34 2.703 -6.998 -20.085 1.00 41.23 C ATOM 516 O GLN A 34 3.375 -6.108 -19.563 1.00 53.31 O ATOM 517 CB GLN A 34 0.404 -7.297 -19.146 1.00 51.31 C ATOM 518 CG GLN A 34 -0.707 -8.307 -19.383 1.00 13.35 C ATOM 519 CD GLN A 34 -1.007 -8.511 -20.855 1.00 24.25 C ATOM 520 OE1 GLN A 34 -1.638 -7.670 -21.494 1.00 40.43 O ATOM 521 NE2 GLN A 34 -0.554 -9.634 -21.401 1.00 5.44 N ATOM 0 H GLN A 34 2.176 -7.324 -17.257 1.00 50.52 H new ATOM 0 HA GLN A 34 1.745 -8.874 -19.722 1.00 45.41 H new ATOM 0 HB2 GLN A 34 0.274 -6.851 -18.160 1.00 51.31 H new ATOM 0 HB3 GLN A 34 0.313 -6.492 -19.875 1.00 51.31 H new ATOM 0 HG2 GLN A 34 -0.426 -9.261 -18.938 1.00 13.35 H new ATOM 0 HG3 GLN A 34 -1.611 -7.972 -18.875 1.00 13.35 H new ATOM 0 HE21 GLN A 34 -0.035 -10.304 -20.833 1.00 5.44 H new ATOM 0 HE22 GLN A 34 -0.725 -9.826 -22.388 1.00 5.44 H new ATOM 530 N ILE A 35 2.708 -7.236 -21.392 1.00 70.24 N ATOM 531 CA ILE A 35 3.521 -6.447 -22.309 1.00 54.34 C ATOM 532 C ILE A 35 2.691 -5.943 -23.485 1.00 74.45 C ATOM 533 O ILE A 35 1.616 -6.472 -23.772 1.00 42.41 O ATOM 534 CB ILE A 35 4.713 -7.260 -22.848 1.00 11.54 C ATOM 535 CG1 ILE A 35 5.549 -6.407 -23.805 1.00 75.40 C ATOM 536 CG2 ILE A 35 4.223 -8.521 -23.543 1.00 22.14 C ATOM 537 CD1 ILE A 35 6.842 -7.067 -24.229 1.00 3.05 C ATOM 0 H ILE A 35 2.158 -7.969 -21.840 1.00 70.24 H new ATOM 0 HA ILE A 35 3.899 -5.596 -21.742 1.00 54.34 H new ATOM 0 HB ILE A 35 5.343 -7.554 -22.009 1.00 11.54 H new ATOM 0 HG12 ILE A 35 4.956 -6.184 -24.692 1.00 75.40 H new ATOM 0 HG13 ILE A 35 5.777 -5.455 -23.326 1.00 75.40 H new ATOM 0 HG21 ILE A 35 5.077 -9.085 -23.918 1.00 22.14 H new ATOM 0 HG22 ILE A 35 3.667 -9.134 -22.834 1.00 22.14 H new ATOM 0 HG23 ILE A 35 3.574 -8.249 -24.375 1.00 22.14 H new ATOM 0 HD11 ILE A 35 7.383 -6.406 -24.906 1.00 3.05 H new ATOM 0 HD12 ILE A 35 7.455 -7.265 -23.350 1.00 3.05 H new ATOM 0 HD13 ILE A 35 6.622 -8.006 -24.737 1.00 3.05 H new TER 549 ILE A 35