USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 293 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ 154:sc= 0 (180deg=-0.00885) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.704 X(o=-0.7,f=-0.51) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0181) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.781 X(o=-0.78,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.329 0.000 0.000 1.00 13.00 N ATOM 2 CA LYS A 1 2.094 -0.002 -1.241 1.00 3.51 C ATOM 3 C LYS A 1 3.114 -1.136 -1.250 1.00 32.11 C ATOM 4 O LYS A 1 4.286 -0.929 -1.566 1.00 75.54 O ATOM 5 CB LYS A 1 2.807 1.340 -1.426 1.00 51.12 C ATOM 6 CG LYS A 1 1.896 2.449 -1.924 1.00 11.03 C ATOM 7 CD LYS A 1 1.709 2.383 -3.430 1.00 54.21 C ATOM 8 CE LYS A 1 1.874 3.752 -4.073 1.00 21.23 C ATOM 9 NZ LYS A 1 0.916 3.958 -5.194 1.00 32.32 N ATOM 0 H1 LYS A 1 0.984 0.962 0.194 1.00 13.00 H new ATOM 0 H2 LYS A 1 0.520 -0.647 -0.090 1.00 13.00 H new ATOM 0 H3 LYS A 1 1.937 -0.314 0.783 1.00 13.00 H new ATOM 0 HA LYS A 1 1.399 -0.155 -2.067 1.00 3.51 H new ATOM 0 HB2 LYS A 1 3.247 1.642 -0.476 1.00 51.12 H new ATOM 0 HB3 LYS A 1 3.628 1.212 -2.131 1.00 51.12 H new ATOM 0 HG2 LYS A 1 0.926 2.373 -1.432 1.00 11.03 H new ATOM 0 HG3 LYS A 1 2.317 3.417 -1.651 1.00 11.03 H new ATOM 0 HD2 LYS A 1 2.433 1.689 -3.858 1.00 54.21 H new ATOM 0 HD3 LYS A 1 0.718 1.990 -3.658 1.00 54.21 H new ATOM 0 HE2 LYS A 1 1.725 4.527 -3.321 1.00 21.23 H new ATOM 0 HE3 LYS A 1 2.894 3.859 -4.443 1.00 21.23 H new ATOM 0 HZ1 LYS A 1 1.061 4.902 -5.605 1.00 32.32 H new ATOM 0 HZ2 LYS A 1 1.075 3.234 -5.924 1.00 32.32 H new ATOM 0 HZ3 LYS A 1 -0.058 3.882 -4.837 1.00 32.32 H new ATOM 23 N LYS A 2 2.660 -2.336 -0.902 1.00 3.41 N ATOM 24 CA LYS A 2 3.531 -3.504 -0.872 1.00 64.43 C ATOM 25 C LYS A 2 3.929 -3.923 -2.284 1.00 55.14 C ATOM 26 O LYS A 2 3.081 -4.310 -3.088 1.00 55.14 O ATOM 27 CB LYS A 2 2.835 -4.667 -0.161 1.00 63.01 C ATOM 28 CG LYS A 2 3.793 -5.732 0.344 1.00 61.33 C ATOM 29 CD LYS A 2 3.872 -5.737 1.861 1.00 31.41 C ATOM 30 CE LYS A 2 3.002 -6.832 2.461 1.00 41.42 C ATOM 31 NZ LYS A 2 2.295 -6.369 3.687 1.00 4.31 N ATOM 0 H LYS A 2 1.693 -2.524 -0.637 1.00 3.41 H new ATOM 0 HA LYS A 2 4.434 -3.238 -0.323 1.00 64.43 H new ATOM 0 HB2 LYS A 2 2.262 -4.277 0.680 1.00 63.01 H new ATOM 0 HB3 LYS A 2 2.122 -5.127 -0.846 1.00 63.01 H new ATOM 0 HG2 LYS A 2 3.468 -6.711 -0.007 1.00 61.33 H new ATOM 0 HG3 LYS A 2 4.785 -5.557 -0.072 1.00 61.33 H new ATOM 0 HD2 LYS A 2 4.907 -5.881 2.172 1.00 31.41 H new ATOM 0 HD3 LYS A 2 3.556 -4.768 2.246 1.00 31.41 H new ATOM 0 HE2 LYS A 2 2.271 -7.161 1.722 1.00 41.42 H new ATOM 0 HE3 LYS A 2 3.621 -7.696 2.703 1.00 41.42 H new ATOM 0 HZ1 LYS A 2 1.713 -7.143 4.065 1.00 4.31 H new ATOM 0 HZ2 LYS A 2 2.993 -6.079 4.402 1.00 4.31 H new ATOM 0 HZ3 LYS A 2 1.685 -5.561 3.451 1.00 4.31 H new ATOM 45 N TRP A 3 5.221 -3.844 -2.578 1.00 62.01 N ATOM 46 CA TRP A 3 5.730 -4.216 -3.893 1.00 60.44 C ATOM 47 C TRP A 3 6.024 -5.711 -3.960 1.00 44.10 C ATOM 48 O TRP A 3 5.942 -6.322 -5.024 1.00 64.44 O ATOM 49 CB TRP A 3 6.995 -3.420 -4.218 1.00 11.12 C ATOM 50 CG TRP A 3 6.713 -2.045 -4.745 1.00 34.53 C ATOM 51 CD1 TRP A 3 6.605 -0.895 -4.017 1.00 12.11 C ATOM 52 CD2 TRP A 3 6.500 -1.679 -6.112 1.00 43.13 C ATOM 53 NE1 TRP A 3 6.338 0.165 -4.850 1.00 22.12 N ATOM 54 CE2 TRP A 3 6.270 -0.289 -6.140 1.00 61.42 C ATOM 55 CE3 TRP A 3 6.484 -2.388 -7.316 1.00 63.40 C ATOM 56 CZ2 TRP A 3 6.026 0.401 -7.325 1.00 21.34 C ATOM 57 CZ3 TRP A 3 6.242 -1.702 -8.491 1.00 34.14 C ATOM 58 CH2 TRP A 3 6.016 -0.319 -8.488 1.00 60.23 C ATOM 0 H TRP A 3 5.936 -3.526 -1.924 1.00 62.01 H new ATOM 0 HA TRP A 3 4.963 -3.982 -4.631 1.00 60.44 H new ATOM 0 HB2 TRP A 3 7.605 -3.338 -3.319 1.00 11.12 H new ATOM 0 HB3 TRP A 3 7.583 -3.970 -4.953 1.00 11.12 H new ATOM 0 HD1 TRP A 3 6.713 -0.828 -2.945 1.00 12.11 H new ATOM 0 HE1 TRP A 3 6.211 1.133 -4.555 1.00 22.12 H new ATOM 0 HE3 TRP A 3 6.658 -3.454 -7.328 1.00 63.40 H new ATOM 0 HZ2 TRP A 3 5.851 1.467 -7.326 1.00 21.34 H new ATOM 0 HZ3 TRP A 3 6.227 -2.241 -9.427 1.00 34.14 H new ATOM 0 HH2 TRP A 3 5.830 0.189 -9.423 1.00 60.23 H new ATOM 69 N GLY A 4 6.368 -6.294 -2.815 1.00 75.14 N ATOM 70 CA GLY A 4 6.669 -7.713 -2.767 1.00 13.13 C ATOM 71 C GLY A 4 5.557 -8.562 -3.352 1.00 5.22 C ATOM 72 O GLY A 4 5.814 -9.612 -3.940 1.00 62.21 O ATOM 0 H GLY A 4 6.443 -5.809 -1.921 1.00 75.14 H new ATOM 0 HA2 GLY A 4 7.593 -7.904 -3.313 1.00 13.13 H new ATOM 0 HA3 GLY A 4 6.843 -8.010 -1.733 1.00 13.13 H new ATOM 76 N TRP A 5 4.320 -8.108 -3.189 1.00 3.51 N ATOM 77 CA TRP A 5 3.165 -8.834 -3.704 1.00 65.34 C ATOM 78 C TRP A 5 2.998 -8.599 -5.201 1.00 50.14 C ATOM 79 O TRP A 5 2.547 -9.482 -5.932 1.00 54.11 O ATOM 80 CB TRP A 5 1.897 -8.408 -2.964 1.00 32.55 C ATOM 81 CG TRP A 5 0.646 -9.004 -3.537 1.00 3.45 C ATOM 82 CD1 TRP A 5 -0.447 -8.327 -3.996 1.00 52.05 C ATOM 83 CD2 TRP A 5 0.361 -10.396 -3.708 1.00 54.04 C ATOM 84 NE1 TRP A 5 -1.396 -9.215 -4.444 1.00 4.01 N ATOM 85 CE2 TRP A 5 -0.924 -10.490 -4.279 1.00 21.41 C ATOM 86 CE3 TRP A 5 1.065 -11.572 -3.438 1.00 4.11 C ATOM 87 CZ2 TRP A 5 -1.516 -11.714 -4.581 1.00 44.22 C ATOM 88 CZ3 TRP A 5 0.477 -12.785 -3.738 1.00 74.43 C ATOM 89 CH2 TRP A 5 -0.803 -12.849 -4.306 1.00 30.12 C ATOM 0 H TRP A 5 4.091 -7.240 -2.704 1.00 3.51 H new ATOM 0 HA TRP A 5 3.333 -9.898 -3.539 1.00 65.34 H new ATOM 0 HB2 TRP A 5 1.982 -8.697 -1.916 1.00 32.55 H new ATOM 0 HB3 TRP A 5 1.818 -7.321 -2.989 1.00 32.55 H new ATOM 0 HD1 TRP A 5 -0.551 -7.252 -4.006 1.00 52.05 H new ATOM 0 HE1 TRP A 5 -2.304 -8.965 -4.836 1.00 4.01 H new ATOM 0 HE3 TRP A 5 2.052 -11.533 -3.002 1.00 4.11 H new ATOM 0 HZ2 TRP A 5 -2.503 -11.765 -5.017 1.00 44.22 H new ATOM 0 HZ3 TRP A 5 1.012 -13.700 -3.531 1.00 74.43 H new ATOM 0 HH2 TRP A 5 -1.235 -13.813 -4.531 1.00 30.12 H new ATOM 100 N LEU A 6 3.364 -7.404 -5.653 1.00 20.34 N ATOM 101 CA LEU A 6 3.254 -7.053 -7.064 1.00 64.13 C ATOM 102 C LEU A 6 4.231 -7.869 -7.906 1.00 0.43 C ATOM 103 O LEU A 6 3.901 -8.306 -9.008 1.00 22.04 O ATOM 104 CB LEU A 6 3.518 -5.559 -7.260 1.00 65.35 C ATOM 105 CG LEU A 6 2.587 -4.835 -8.233 1.00 31.00 C ATOM 106 CD1 LEU A 6 1.834 -3.722 -7.522 1.00 12.44 C ATOM 107 CD2 LEU A 6 3.373 -4.281 -9.412 1.00 42.21 C ATOM 0 H LEU A 6 3.739 -6.662 -5.062 1.00 20.34 H new ATOM 0 HA LEU A 6 2.240 -7.283 -7.393 1.00 64.13 H new ATOM 0 HB2 LEU A 6 3.449 -5.068 -6.289 1.00 65.35 H new ATOM 0 HB3 LEU A 6 4.543 -5.434 -7.609 1.00 65.35 H new ATOM 0 HG LEU A 6 1.860 -5.553 -8.613 1.00 31.00 H new ATOM 0 HD11 LEU A 6 1.176 -3.218 -8.230 1.00 12.44 H new ATOM 0 HD12 LEU A 6 1.239 -4.145 -6.712 1.00 12.44 H new ATOM 0 HD13 LEU A 6 2.546 -3.005 -7.114 1.00 12.44 H new ATOM 0 HD21 LEU A 6 2.694 -3.769 -10.094 1.00 42.21 H new ATOM 0 HD22 LEU A 6 4.123 -3.577 -9.051 1.00 42.21 H new ATOM 0 HD23 LEU A 6 3.866 -5.099 -9.937 1.00 42.21 H new ATOM 119 N ALA A 7 5.434 -8.071 -7.377 1.00 54.34 N ATOM 120 CA ALA A 7 6.457 -8.837 -8.078 1.00 33.23 C ATOM 121 C ALA A 7 6.017 -10.283 -8.279 1.00 62.53 C ATOM 122 O ALA A 7 6.485 -10.962 -9.194 1.00 32.34 O ATOM 123 CB ALA A 7 7.771 -8.785 -7.313 1.00 42.23 C ATOM 0 H ALA A 7 5.723 -7.715 -6.466 1.00 54.34 H new ATOM 0 HA ALA A 7 6.603 -8.389 -9.061 1.00 33.23 H new ATOM 0 HB1 ALA A 7 8.526 -9.361 -7.848 1.00 42.23 H new ATOM 0 HB2 ALA A 7 8.100 -7.750 -7.225 1.00 42.23 H new ATOM 0 HB3 ALA A 7 7.630 -9.207 -6.318 1.00 42.23 H new ATOM 129 N TRP A 8 5.117 -10.748 -7.420 1.00 63.34 N ATOM 130 CA TRP A 8 4.616 -12.115 -7.504 1.00 74.35 C ATOM 131 C TRP A 8 3.399 -12.193 -8.420 1.00 33.12 C ATOM 132 O TRP A 8 2.735 -13.227 -8.500 1.00 13.25 O ATOM 133 CB TRP A 8 4.256 -12.635 -6.112 1.00 15.13 C ATOM 134 CG TRP A 8 5.453 -12.954 -5.269 1.00 1.01 C ATOM 135 CD1 TRP A 8 6.697 -12.398 -5.368 1.00 34.11 C ATOM 136 CD2 TRP A 8 5.520 -13.905 -4.200 1.00 43.34 C ATOM 137 NE1 TRP A 8 7.533 -12.946 -4.425 1.00 71.13 N ATOM 138 CE2 TRP A 8 6.835 -13.872 -3.696 1.00 22.10 C ATOM 139 CE3 TRP A 8 4.598 -14.779 -3.619 1.00 54.44 C ATOM 140 CZ2 TRP A 8 7.247 -14.681 -2.640 1.00 43.22 C ATOM 141 CZ3 TRP A 8 5.008 -15.581 -2.572 1.00 3.21 C ATOM 142 CH2 TRP A 8 6.323 -15.527 -2.090 1.00 61.14 C ATOM 0 H TRP A 8 4.719 -10.199 -6.658 1.00 63.34 H new ATOM 0 HA TRP A 8 5.405 -12.739 -7.924 1.00 74.35 H new ATOM 0 HB2 TRP A 8 3.648 -11.889 -5.600 1.00 15.13 H new ATOM 0 HB3 TRP A 8 3.643 -13.531 -6.214 1.00 15.13 H new ATOM 0 HD1 TRP A 8 6.982 -11.639 -6.082 1.00 34.11 H new ATOM 0 HE1 TRP A 8 8.514 -12.703 -4.290 1.00 71.13 H new ATOM 0 HE3 TRP A 8 3.582 -14.827 -3.982 1.00 54.44 H new ATOM 0 HZ2 TRP A 8 8.260 -14.642 -2.268 1.00 43.22 H new ATOM 0 HZ3 TRP A 8 4.303 -16.261 -2.117 1.00 3.21 H new ATOM 0 HH2 TRP A 8 6.613 -16.166 -1.269 1.00 61.14 H new ATOM 153 N VAL A 9 3.111 -11.094 -9.110 1.00 1.12 N ATOM 154 CA VAL A 9 1.974 -11.039 -10.021 1.00 43.20 C ATOM 155 C VAL A 9 2.346 -11.581 -11.397 1.00 12.14 C ATOM 156 O VAL A 9 1.575 -12.316 -12.014 1.00 64.42 O ATOM 157 CB VAL A 9 1.447 -9.600 -10.174 1.00 13.22 C ATOM 158 CG1 VAL A 9 0.305 -9.553 -11.177 1.00 74.44 C ATOM 159 CG2 VAL A 9 1.006 -9.049 -8.826 1.00 51.42 C ATOM 0 H VAL A 9 3.650 -10.230 -9.055 1.00 1.12 H new ATOM 0 HA VAL A 9 1.191 -11.661 -9.588 1.00 43.20 H new ATOM 0 HB VAL A 9 2.255 -8.974 -10.551 1.00 13.22 H new ATOM 0 HG11 VAL A 9 -0.054 -8.528 -11.272 1.00 74.44 H new ATOM 0 HG12 VAL A 9 0.658 -9.905 -12.147 1.00 74.44 H new ATOM 0 HG13 VAL A 9 -0.508 -10.192 -10.833 1.00 74.44 H new ATOM 0 HG21 VAL A 9 0.636 -8.031 -8.952 1.00 51.42 H new ATOM 0 HG22 VAL A 9 0.212 -9.675 -8.419 1.00 51.42 H new ATOM 0 HG23 VAL A 9 1.853 -9.045 -8.140 1.00 51.42 H new ATOM 169 N ASP A 10 3.531 -11.213 -11.871 1.00 30.32 N ATOM 170 CA ASP A 10 4.006 -11.664 -13.174 1.00 25.03 C ATOM 171 C ASP A 10 5.431 -11.182 -13.429 1.00 23.35 C ATOM 172 O ASP A 10 5.673 -10.273 -14.223 1.00 34.02 O ATOM 173 CB ASP A 10 3.079 -11.161 -14.281 1.00 0.21 C ATOM 174 CG ASP A 10 3.067 -12.078 -15.488 1.00 20.54 C ATOM 175 OD1 ASP A 10 4.058 -12.813 -15.684 1.00 14.12 O ATOM 176 OD2 ASP A 10 2.067 -12.062 -16.236 1.00 44.43 O ATOM 0 H ASP A 10 4.180 -10.604 -11.373 1.00 30.32 H new ATOM 0 HA ASP A 10 4.004 -12.754 -13.177 1.00 25.03 H new ATOM 0 HB2 ASP A 10 2.066 -11.069 -13.889 1.00 0.21 H new ATOM 0 HB3 ASP A 10 3.394 -10.164 -14.589 1.00 0.21 H new ATOM 181 N PRO A 11 6.399 -11.804 -12.739 1.00 31.33 N ATOM 182 CA PRO A 11 7.816 -11.455 -12.873 1.00 63.30 C ATOM 183 C PRO A 11 8.387 -11.860 -14.228 1.00 0.20 C ATOM 184 O PRO A 11 9.274 -11.194 -14.762 1.00 73.31 O ATOM 185 CB PRO A 11 8.486 -12.253 -11.751 1.00 51.11 C ATOM 186 CG PRO A 11 7.574 -13.406 -11.509 1.00 54.44 C ATOM 187 CD PRO A 11 6.184 -12.897 -11.775 1.00 12.42 C ATOM 0 HA PRO A 11 7.979 -10.379 -12.806 1.00 63.30 H new ATOM 0 HB2 PRO A 11 9.480 -12.590 -12.044 1.00 51.11 H new ATOM 0 HB3 PRO A 11 8.606 -11.648 -10.852 1.00 51.11 H new ATOM 0 HG2 PRO A 11 7.817 -14.240 -12.167 1.00 54.44 H new ATOM 0 HG3 PRO A 11 7.667 -13.769 -10.486 1.00 54.44 H new ATOM 0 HD2 PRO A 11 5.543 -13.676 -12.187 1.00 12.42 H new ATOM 0 HD3 PRO A 11 5.705 -12.540 -10.863 1.00 12.42 H new ATOM 195 N ALA A 12 7.872 -12.954 -14.779 1.00 23.22 N ATOM 196 CA ALA A 12 8.329 -13.445 -16.073 1.00 23.52 C ATOM 197 C ALA A 12 8.035 -12.437 -17.178 1.00 5.30 C ATOM 198 O ALA A 12 8.882 -12.174 -18.033 1.00 15.10 O ATOM 199 CB ALA A 12 7.677 -14.783 -16.390 1.00 24.33 C ATOM 0 H ALA A 12 7.138 -13.517 -14.349 1.00 23.22 H new ATOM 0 HA ALA A 12 9.409 -13.582 -16.021 1.00 23.52 H new ATOM 0 HB1 ALA A 12 8.027 -15.138 -17.359 1.00 24.33 H new ATOM 0 HB2 ALA A 12 7.942 -15.508 -15.621 1.00 24.33 H new ATOM 0 HB3 ALA A 12 6.594 -14.663 -16.418 1.00 24.33 H new ATOM 205 N TYR A 13 6.832 -11.875 -17.155 1.00 71.21 N ATOM 206 CA TYR A 13 6.425 -10.897 -18.157 1.00 65.44 C ATOM 207 C TYR A 13 7.460 -9.783 -18.282 1.00 12.21 C ATOM 208 O TYR A 13 8.085 -9.616 -19.329 1.00 14.13 O ATOM 209 CB TYR A 13 5.062 -10.305 -17.799 1.00 14.03 C ATOM 210 CG TYR A 13 4.261 -9.858 -19.001 1.00 12.43 C ATOM 211 CD1 TYR A 13 4.760 -8.901 -19.876 1.00 5.33 C ATOM 212 CD2 TYR A 13 3.004 -10.391 -19.261 1.00 4.41 C ATOM 213 CE1 TYR A 13 4.032 -8.488 -20.975 1.00 22.31 C ATOM 214 CE2 TYR A 13 2.270 -9.985 -20.358 1.00 72.23 C ATOM 215 CZ TYR A 13 2.788 -9.034 -21.212 1.00 52.21 C ATOM 216 OH TYR A 13 2.058 -8.626 -22.306 1.00 25.34 O ATOM 0 H TYR A 13 6.121 -12.080 -16.453 1.00 71.21 H new ATOM 0 HA TYR A 13 6.350 -11.408 -19.117 1.00 65.44 H new ATOM 0 HB2 TYR A 13 4.487 -11.047 -17.245 1.00 14.03 H new ATOM 0 HB3 TYR A 13 5.208 -9.454 -17.134 1.00 14.03 H new ATOM 0 HD1 TYR A 13 5.734 -8.472 -19.694 1.00 5.33 H new ATOM 0 HD2 TYR A 13 2.594 -11.135 -18.594 1.00 4.41 H new ATOM 0 HE1 TYR A 13 4.435 -7.742 -21.644 1.00 22.31 H new ATOM 0 HE2 TYR A 13 1.295 -10.410 -20.546 1.00 72.23 H new ATOM 0 HH TYR A 13 1.205 -9.108 -22.329 1.00 25.34 H new ATOM 226 N GLU A 14 7.634 -9.023 -17.205 1.00 23.32 N ATOM 227 CA GLU A 14 8.593 -7.924 -17.193 1.00 74.31 C ATOM 228 C GLU A 14 10.004 -8.430 -17.476 1.00 23.23 C ATOM 229 O GLU A 14 10.818 -7.729 -18.078 1.00 30.50 O ATOM 230 CB GLU A 14 8.558 -7.203 -15.844 1.00 42.32 C ATOM 231 CG GLU A 14 8.808 -8.118 -14.658 1.00 33.34 C ATOM 232 CD GLU A 14 8.558 -7.432 -13.329 1.00 20.14 C ATOM 233 OE1 GLU A 14 7.384 -7.355 -12.911 1.00 53.15 O ATOM 234 OE2 GLU A 14 9.538 -6.972 -12.706 1.00 21.43 O ATOM 0 H GLU A 14 7.124 -9.148 -16.330 1.00 23.32 H new ATOM 0 HA GLU A 14 8.313 -7.223 -17.979 1.00 74.31 H new ATOM 0 HB2 GLU A 14 9.307 -6.411 -15.845 1.00 42.32 H new ATOM 0 HB3 GLU A 14 7.587 -6.723 -15.723 1.00 42.32 H new ATOM 0 HG2 GLU A 14 8.164 -8.994 -14.737 1.00 33.34 H new ATOM 0 HG3 GLU A 14 9.837 -8.475 -14.690 1.00 33.34 H new ATOM 241 N PHE A 15 10.288 -9.652 -17.036 1.00 13.20 N ATOM 242 CA PHE A 15 11.601 -10.252 -17.240 1.00 30.14 C ATOM 243 C PHE A 15 11.883 -10.452 -18.726 1.00 31.32 C ATOM 244 O PHE A 15 13.022 -10.320 -19.176 1.00 34.54 O ATOM 245 CB PHE A 15 11.692 -11.592 -16.507 1.00 31.13 C ATOM 246 CG PHE A 15 13.056 -12.218 -16.569 1.00 73.33 C ATOM 247 CD1 PHE A 15 13.411 -13.032 -17.633 1.00 51.32 C ATOM 248 CD2 PHE A 15 13.982 -11.994 -15.564 1.00 4.21 C ATOM 249 CE1 PHE A 15 14.665 -13.609 -17.694 1.00 63.21 C ATOM 250 CE2 PHE A 15 15.238 -12.568 -15.620 1.00 22.24 C ATOM 251 CZ PHE A 15 15.580 -13.378 -16.685 1.00 53.13 C ATOM 0 H PHE A 15 9.626 -10.246 -16.536 1.00 13.20 H new ATOM 0 HA PHE A 15 12.350 -9.572 -16.835 1.00 30.14 H new ATOM 0 HB2 PHE A 15 11.415 -11.445 -15.463 1.00 31.13 H new ATOM 0 HB3 PHE A 15 10.965 -12.282 -16.936 1.00 31.13 H new ATOM 0 HD1 PHE A 15 12.699 -13.218 -18.424 1.00 51.32 H new ATOM 0 HD2 PHE A 15 13.720 -11.364 -14.727 1.00 4.21 H new ATOM 0 HE1 PHE A 15 14.930 -14.240 -18.530 1.00 63.21 H new ATOM 0 HE2 PHE A 15 15.952 -12.383 -14.831 1.00 22.24 H new ATOM 0 HZ PHE A 15 16.560 -13.830 -16.729 1.00 53.13 H new ATOM 261 N ILE A 16 10.838 -10.772 -19.482 1.00 42.12 N ATOM 262 CA ILE A 16 10.973 -10.990 -20.917 1.00 52.11 C ATOM 263 C ILE A 16 11.209 -9.675 -21.653 1.00 71.41 C ATOM 264 O ILE A 16 11.997 -9.612 -22.597 1.00 3.14 O ATOM 265 CB ILE A 16 9.724 -11.676 -21.502 1.00 11.41 C ATOM 266 CG1 ILE A 16 9.481 -13.018 -20.810 1.00 23.43 C ATOM 267 CG2 ILE A 16 9.879 -11.868 -23.003 1.00 43.21 C ATOM 268 CD1 ILE A 16 8.019 -13.311 -20.555 1.00 24.41 C ATOM 0 H ILE A 16 9.889 -10.886 -19.125 1.00 42.12 H new ATOM 0 HA ILE A 16 11.835 -11.642 -21.058 1.00 52.11 H new ATOM 0 HB ILE A 16 8.860 -11.036 -21.325 1.00 11.41 H new ATOM 0 HG12 ILE A 16 9.901 -13.815 -21.423 1.00 23.43 H new ATOM 0 HG13 ILE A 16 10.017 -13.030 -19.861 1.00 23.43 H new ATOM 0 HG21 ILE A 16 8.988 -12.354 -23.402 1.00 43.21 H new ATOM 0 HG22 ILE A 16 10.008 -10.898 -23.482 1.00 43.21 H new ATOM 0 HG23 ILE A 16 10.752 -12.490 -23.202 1.00 43.21 H new ATOM 0 HD11 ILE A 16 7.922 -14.278 -20.062 1.00 24.41 H new ATOM 0 HD12 ILE A 16 7.598 -12.534 -19.916 1.00 24.41 H new ATOM 0 HD13 ILE A 16 7.481 -13.332 -21.503 1.00 24.41 H new ATOM 280 N LYS A 17 10.522 -8.626 -21.214 1.00 74.33 N ATOM 281 CA LYS A 17 10.657 -7.311 -21.828 1.00 45.22 C ATOM 282 C LYS A 17 11.960 -6.643 -21.400 1.00 43.24 C ATOM 283 O LYS A 17 12.505 -5.805 -22.118 1.00 74.15 O ATOM 284 CB LYS A 17 9.469 -6.424 -21.450 1.00 41.32 C ATOM 285 CG LYS A 17 8.143 -7.163 -21.423 1.00 34.13 C ATOM 286 CD LYS A 17 6.976 -6.226 -21.688 1.00 22.03 C ATOM 287 CE LYS A 17 6.263 -5.846 -20.399 1.00 51.33 C ATOM 288 NZ LYS A 17 6.686 -4.506 -19.906 1.00 22.14 N ATOM 0 H LYS A 17 9.865 -8.661 -20.434 1.00 74.33 H new ATOM 0 HA LYS A 17 10.674 -7.443 -22.910 1.00 45.22 H new ATOM 0 HB2 LYS A 17 9.651 -5.986 -20.469 1.00 41.32 H new ATOM 0 HB3 LYS A 17 9.402 -5.600 -22.160 1.00 41.32 H new ATOM 0 HG2 LYS A 17 8.152 -7.955 -22.172 1.00 34.13 H new ATOM 0 HG3 LYS A 17 8.013 -7.643 -20.453 1.00 34.13 H new ATOM 0 HD2 LYS A 17 7.337 -5.325 -22.185 1.00 22.03 H new ATOM 0 HD3 LYS A 17 6.271 -6.704 -22.368 1.00 22.03 H new ATOM 0 HE2 LYS A 17 5.186 -5.848 -20.565 1.00 51.33 H new ATOM 0 HE3 LYS A 17 6.469 -6.596 -19.635 1.00 51.33 H new ATOM 0 HZ1 LYS A 17 6.178 -4.283 -19.026 1.00 22.14 H new ATOM 0 HZ2 LYS A 17 7.710 -4.511 -19.723 1.00 22.14 H new ATOM 0 HZ3 LYS A 17 6.466 -3.787 -20.624 1.00 22.14 H new ATOM 302 N GLY A 18 12.456 -7.021 -20.226 1.00 44.40 N ATOM 303 CA GLY A 18 13.692 -6.449 -19.724 1.00 42.12 C ATOM 304 C GLY A 18 14.829 -6.559 -20.721 1.00 72.11 C ATOM 305 O GLY A 18 15.756 -5.749 -20.709 1.00 20.25 O ATOM 0 H GLY A 18 12.024 -7.713 -19.614 1.00 44.40 H new ATOM 0 HA2 GLY A 18 13.529 -5.400 -19.477 1.00 42.12 H new ATOM 0 HA3 GLY A 18 13.973 -6.954 -18.800 1.00 42.12 H new ATOM 309 N PHE A 19 14.759 -7.565 -21.587 1.00 21.14 N ATOM 310 CA PHE A 19 15.792 -7.780 -22.593 1.00 72.34 C ATOM 311 C PHE A 19 15.416 -8.933 -23.520 1.00 25.32 C ATOM 312 O PHE A 19 14.598 -9.783 -23.171 1.00 23.21 O ATOM 313 CB PHE A 19 17.136 -8.068 -21.922 1.00 44.30 C ATOM 314 CG PHE A 19 17.118 -9.282 -21.038 1.00 52.02 C ATOM 315 CD1 PHE A 19 17.424 -10.533 -21.550 1.00 53.44 C ATOM 316 CD2 PHE A 19 16.795 -9.173 -19.695 1.00 50.23 C ATOM 317 CE1 PHE A 19 17.406 -11.652 -20.739 1.00 44.54 C ATOM 318 CE2 PHE A 19 16.776 -10.288 -18.879 1.00 65.33 C ATOM 319 CZ PHE A 19 17.084 -11.529 -19.402 1.00 73.10 C ATOM 0 H PHE A 19 13.998 -8.244 -21.612 1.00 21.14 H new ATOM 0 HA PHE A 19 15.879 -6.871 -23.188 1.00 72.34 H new ATOM 0 HB2 PHE A 19 17.896 -8.201 -22.692 1.00 44.30 H new ATOM 0 HB3 PHE A 19 17.430 -7.202 -21.330 1.00 44.30 H new ATOM 0 HD1 PHE A 19 17.679 -10.635 -22.594 1.00 53.44 H new ATOM 0 HD2 PHE A 19 16.555 -8.205 -19.281 1.00 50.23 H new ATOM 0 HE1 PHE A 19 17.644 -12.622 -21.151 1.00 44.54 H new ATOM 0 HE2 PHE A 19 16.521 -10.189 -17.834 1.00 65.33 H new ATOM 0 HZ PHE A 19 17.073 -12.402 -18.766 1.00 73.10 H new ATOM 329 N GLY A 20 16.021 -8.954 -24.704 1.00 22.42 N ATOM 330 CA GLY A 20 15.738 -10.006 -25.663 1.00 14.11 C ATOM 331 C GLY A 20 14.788 -9.554 -26.755 1.00 22.22 C ATOM 332 O GLY A 20 13.804 -10.232 -27.052 1.00 41.42 O ATOM 0 H GLY A 20 16.702 -8.261 -25.016 1.00 22.42 H new ATOM 0 HA2 GLY A 20 16.671 -10.343 -26.114 1.00 14.11 H new ATOM 0 HA3 GLY A 20 15.308 -10.862 -25.143 1.00 14.11 H new ATOM 336 N LYS A 21 15.082 -8.405 -27.354 1.00 13.14 N ATOM 337 CA LYS A 21 14.247 -7.862 -28.419 1.00 3.32 C ATOM 338 C LYS A 21 14.850 -6.578 -28.981 1.00 71.10 C ATOM 339 O LYS A 21 14.756 -6.309 -30.178 1.00 23.32 O ATOM 340 CB LYS A 21 12.834 -7.589 -27.899 1.00 30.02 C ATOM 341 CG LYS A 21 12.798 -6.678 -26.684 1.00 21.53 C ATOM 342 CD LYS A 21 12.660 -5.219 -27.084 1.00 72.32 C ATOM 343 CE LYS A 21 11.347 -4.629 -26.593 1.00 51.45 C ATOM 344 NZ LYS A 21 11.365 -3.140 -26.617 1.00 4.31 N ATOM 0 H LYS A 21 15.893 -7.832 -27.120 1.00 13.14 H new ATOM 0 HA LYS A 21 14.196 -8.600 -29.219 1.00 3.32 H new ATOM 0 HB2 LYS A 21 12.243 -7.140 -28.697 1.00 30.02 H new ATOM 0 HB3 LYS A 21 12.360 -8.537 -27.646 1.00 30.02 H new ATOM 0 HG2 LYS A 21 11.964 -6.960 -26.041 1.00 21.53 H new ATOM 0 HG3 LYS A 21 13.709 -6.812 -26.101 1.00 21.53 H new ATOM 0 HD2 LYS A 21 13.493 -4.648 -26.674 1.00 72.32 H new ATOM 0 HD3 LYS A 21 12.717 -5.131 -28.169 1.00 72.32 H new ATOM 0 HE2 LYS A 21 10.530 -4.992 -27.216 1.00 51.45 H new ATOM 0 HE3 LYS A 21 11.151 -4.974 -25.578 1.00 51.45 H new ATOM 0 HZ1 LYS A 21 10.453 -2.776 -26.275 1.00 4.31 H new ATOM 0 HZ2 LYS A 21 12.129 -2.792 -26.002 1.00 4.31 H new ATOM 0 HZ3 LYS A 21 11.527 -2.810 -27.590 1.00 4.31 H new ATOM 358 N GLY A 22 15.470 -5.789 -28.109 1.00 21.02 N ATOM 359 CA GLY A 22 16.080 -4.544 -28.538 1.00 20.11 C ATOM 360 C GLY A 22 16.803 -3.834 -27.411 1.00 12.24 C ATOM 361 O GLY A 22 17.820 -3.177 -27.633 1.00 34.22 O ATOM 0 H GLY A 22 15.561 -5.990 -27.113 1.00 21.02 H new ATOM 0 HA2 GLY A 22 16.783 -4.747 -29.346 1.00 20.11 H new ATOM 0 HA3 GLY A 22 15.311 -3.887 -28.943 1.00 20.11 H new ATOM 365 N ALA A 23 16.276 -3.964 -26.197 1.00 42.14 N ATOM 366 CA ALA A 23 16.878 -3.330 -25.031 1.00 42.53 C ATOM 367 C ALA A 23 18.344 -3.726 -24.886 1.00 54.51 C ATOM 368 O ALA A 23 19.236 -2.881 -24.972 1.00 73.11 O ATOM 369 CB ALA A 23 16.104 -3.694 -23.773 1.00 72.34 C ATOM 0 H ALA A 23 15.433 -4.503 -25.996 1.00 42.14 H new ATOM 0 HA ALA A 23 16.833 -2.250 -25.172 1.00 42.53 H new ATOM 0 HB1 ALA A 23 16.565 -3.213 -22.910 1.00 72.34 H new ATOM 0 HB2 ALA A 23 15.073 -3.355 -23.869 1.00 72.34 H new ATOM 0 HB3 ALA A 23 16.119 -4.775 -23.637 1.00 72.34 H new ATOM 375 N ILE A 24 18.584 -5.013 -24.665 1.00 65.41 N ATOM 376 CA ILE A 24 19.942 -5.520 -24.508 1.00 61.24 C ATOM 377 C ILE A 24 20.665 -5.579 -25.850 1.00 20.32 C ATOM 378 O ILE A 24 21.885 -5.429 -25.918 1.00 1.24 O ATOM 379 CB ILE A 24 19.950 -6.922 -23.872 1.00 34.43 C ATOM 380 CG1 ILE A 24 21.376 -7.329 -23.497 1.00 44.31 C ATOM 381 CG2 ILE A 24 19.336 -7.939 -24.823 1.00 20.24 C ATOM 382 CD1 ILE A 24 22.007 -6.430 -22.457 1.00 2.32 C ATOM 0 H ILE A 24 17.857 -5.724 -24.590 1.00 65.41 H new ATOM 0 HA ILE A 24 20.463 -4.827 -23.847 1.00 61.24 H new ATOM 0 HB ILE A 24 19.350 -6.895 -22.963 1.00 34.43 H new ATOM 0 HG12 ILE A 24 21.367 -8.353 -23.123 1.00 44.31 H new ATOM 0 HG13 ILE A 24 21.995 -7.323 -24.394 1.00 44.31 H new ATOM 0 HG21 ILE A 24 19.349 -8.925 -24.359 1.00 20.24 H new ATOM 0 HG22 ILE A 24 18.307 -7.655 -25.044 1.00 20.24 H new ATOM 0 HG23 ILE A 24 19.912 -7.966 -25.748 1.00 20.24 H new ATOM 0 HD11 ILE A 24 23.017 -6.778 -22.240 1.00 2.32 H new ATOM 0 HD12 ILE A 24 22.049 -5.409 -22.836 1.00 2.32 H new ATOM 0 HD13 ILE A 24 21.411 -6.455 -21.545 1.00 2.32 H new ATOM 394 N LYS A 25 19.904 -5.798 -26.917 1.00 12.13 N ATOM 395 CA LYS A 25 20.470 -5.874 -28.258 1.00 73.03 C ATOM 396 C LYS A 25 21.146 -4.561 -28.639 1.00 12.20 C ATOM 397 O LYS A 25 22.301 -4.548 -29.063 1.00 11.43 O ATOM 398 CB LYS A 25 19.378 -6.212 -29.276 1.00 51.42 C ATOM 399 CG LYS A 25 19.344 -7.679 -29.668 1.00 44.31 C ATOM 400 CD LYS A 25 18.827 -7.866 -31.085 1.00 4.24 C ATOM 401 CE LYS A 25 17.317 -8.044 -31.108 1.00 0.12 C ATOM 402 NZ LYS A 25 16.929 -9.467 -31.310 1.00 24.41 N ATOM 0 H LYS A 25 18.893 -5.926 -26.879 1.00 12.13 H new ATOM 0 HA LYS A 25 21.221 -6.664 -28.264 1.00 73.03 H new ATOM 0 HB2 LYS A 25 18.409 -5.933 -28.863 1.00 51.42 H new ATOM 0 HB3 LYS A 25 19.529 -5.609 -30.171 1.00 51.42 H new ATOM 0 HG2 LYS A 25 20.345 -8.102 -29.586 1.00 44.31 H new ATOM 0 HG3 LYS A 25 18.709 -8.228 -28.973 1.00 44.31 H new ATOM 0 HD2 LYS A 25 19.102 -7.003 -31.691 1.00 4.24 H new ATOM 0 HD3 LYS A 25 19.304 -8.736 -31.536 1.00 4.24 H new ATOM 0 HE2 LYS A 25 16.894 -7.682 -30.171 1.00 0.12 H new ATOM 0 HE3 LYS A 25 16.892 -7.435 -31.906 1.00 0.12 H new ATOM 0 HZ1 LYS A 25 15.892 -9.546 -31.320 1.00 24.41 H new ATOM 0 HZ2 LYS A 25 17.311 -9.806 -32.216 1.00 24.41 H new ATOM 0 HZ3 LYS A 25 17.313 -10.045 -30.535 1.00 24.41 H new ATOM 416 N GLU A 26 20.418 -3.459 -28.483 1.00 44.13 N ATOM 417 CA GLU A 26 20.950 -2.141 -28.811 1.00 32.14 C ATOM 418 C GLU A 26 21.938 -1.673 -27.746 1.00 32.10 C ATOM 419 O GLU A 26 22.582 -0.636 -27.895 1.00 1.44 O ATOM 420 CB GLU A 26 19.812 -1.127 -28.947 1.00 32.31 C ATOM 421 CG GLU A 26 19.251 -0.660 -27.615 1.00 14.54 C ATOM 422 CD GLU A 26 19.897 0.622 -27.127 1.00 4.31 C ATOM 423 OE1 GLU A 26 19.766 1.653 -27.819 1.00 52.35 O ATOM 424 OE2 GLU A 26 20.535 0.595 -26.054 1.00 20.24 O ATOM 0 H GLU A 26 19.460 -3.453 -28.132 1.00 44.13 H new ATOM 0 HA GLU A 26 21.476 -2.216 -29.763 1.00 32.14 H new ATOM 0 HB2 GLU A 26 20.172 -0.262 -29.503 1.00 32.31 H new ATOM 0 HB3 GLU A 26 19.009 -1.572 -29.534 1.00 32.31 H new ATOM 0 HG2 GLU A 26 18.176 -0.507 -27.711 1.00 14.54 H new ATOM 0 HG3 GLU A 26 19.396 -1.442 -26.870 1.00 14.54 H new ATOM 431 N GLY A 27 22.051 -2.447 -26.671 1.00 12.14 N ATOM 432 CA GLY A 27 22.961 -2.096 -25.596 1.00 51.42 C ATOM 433 C GLY A 27 24.333 -2.716 -25.772 1.00 53.12 C ATOM 434 O GLY A 27 25.350 -2.058 -25.559 1.00 64.51 O ATOM 0 H GLY A 27 21.529 -3.311 -26.525 1.00 12.14 H new ATOM 0 HA2 GLY A 27 23.059 -1.012 -25.547 1.00 51.42 H new ATOM 0 HA3 GLY A 27 22.538 -2.421 -24.645 1.00 51.42 H new ATOM 438 N ASN A 28 24.360 -3.987 -26.161 1.00 43.40 N ATOM 439 CA ASN A 28 25.618 -4.697 -26.363 1.00 40.33 C ATOM 440 C ASN A 28 26.234 -4.339 -27.713 1.00 32.14 C ATOM 441 O ASN A 28 27.455 -4.253 -27.847 1.00 55.15 O ATOM 442 CB ASN A 28 25.394 -6.208 -26.277 1.00 1.23 C ATOM 443 CG ASN A 28 24.909 -6.797 -27.588 1.00 5.54 C ATOM 444 OD1 ASN A 28 25.683 -7.393 -28.337 1.00 3.41 O ATOM 445 ND2 ASN A 28 23.623 -6.631 -27.870 1.00 74.14 N ATOM 0 H ASN A 28 23.526 -4.546 -26.342 1.00 43.40 H new ATOM 0 HA ASN A 28 26.309 -4.393 -25.576 1.00 40.33 H new ATOM 0 HB2 ASN A 28 26.325 -6.694 -25.986 1.00 1.23 H new ATOM 0 HB3 ASN A 28 24.665 -6.420 -25.495 1.00 1.23 H new ATOM 0 HD21 ASN A 28 23.239 -7.005 -28.738 1.00 74.14 H new ATOM 0 HD22 ASN A 28 23.019 -6.130 -27.219 1.00 74.14 H new ATOM 452 N LYS A 29 25.380 -4.131 -28.710 1.00 24.14 N ATOM 453 CA LYS A 29 25.838 -3.781 -30.049 1.00 4.32 C ATOM 454 C LYS A 29 26.247 -2.313 -30.117 1.00 41.33 C ATOM 455 O LYS A 29 27.039 -1.919 -30.973 1.00 44.52 O ATOM 456 CB LYS A 29 24.740 -4.064 -31.076 1.00 40.21 C ATOM 457 CG LYS A 29 23.645 -3.012 -31.101 1.00 50.53 C ATOM 458 CD LYS A 29 22.393 -3.526 -31.792 1.00 0.01 C ATOM 459 CE LYS A 29 22.624 -3.735 -33.281 1.00 32.44 C ATOM 460 NZ LYS A 29 21.361 -3.610 -34.061 1.00 24.34 N ATOM 0 H LYS A 29 24.367 -4.199 -28.615 1.00 24.14 H new ATOM 0 HA LYS A 29 26.709 -4.394 -30.280 1.00 4.32 H new ATOM 0 HB2 LYS A 29 25.190 -4.132 -32.067 1.00 40.21 H new ATOM 0 HB3 LYS A 29 24.294 -5.035 -30.861 1.00 40.21 H new ATOM 0 HG2 LYS A 29 23.402 -2.714 -30.081 1.00 50.53 H new ATOM 0 HG3 LYS A 29 24.006 -2.122 -31.616 1.00 50.53 H new ATOM 0 HD2 LYS A 29 22.084 -4.466 -31.335 1.00 0.01 H new ATOM 0 HD3 LYS A 29 21.578 -2.817 -31.645 1.00 0.01 H new ATOM 0 HE2 LYS A 29 23.348 -3.005 -33.642 1.00 32.44 H new ATOM 0 HE3 LYS A 29 23.057 -4.722 -33.446 1.00 32.44 H new ATOM 0 HZ1 LYS A 29 21.560 -3.759 -35.071 1.00 24.34 H new ATOM 0 HZ2 LYS A 29 20.679 -4.324 -33.734 1.00 24.34 H new ATOM 0 HZ3 LYS A 29 20.961 -2.660 -33.924 1.00 24.34 H new ATOM 474 N ASP A 30 25.703 -1.509 -29.210 1.00 60.13 N ATOM 475 CA ASP A 30 26.013 -0.085 -29.166 1.00 43.24 C ATOM 476 C ASP A 30 27.515 0.140 -29.016 1.00 34.11 C ATOM 477 O ASP A 30 28.043 1.175 -29.423 1.00 75.15 O ATOM 478 CB ASP A 30 25.266 0.586 -28.013 1.00 4.34 C ATOM 479 CG ASP A 30 24.210 1.561 -28.496 1.00 22.34 C ATOM 480 OD1 ASP A 30 23.593 1.293 -29.548 1.00 15.42 O ATOM 481 OD2 ASP A 30 24.001 2.590 -27.821 1.00 14.30 O ATOM 0 H ASP A 30 25.045 -1.819 -28.495 1.00 60.13 H new ATOM 0 HA ASP A 30 25.689 0.361 -30.106 1.00 43.24 H new ATOM 0 HB2 ASP A 30 24.795 -0.179 -27.395 1.00 4.34 H new ATOM 0 HB3 ASP A 30 25.980 1.112 -27.379 1.00 4.34 H new ATOM 486 N LYS A 31 28.198 -0.836 -28.427 1.00 54.10 N ATOM 487 CA LYS A 31 29.638 -0.746 -28.222 1.00 64.21 C ATOM 488 C LYS A 31 30.394 -1.183 -29.473 1.00 42.20 C ATOM 489 O LYS A 31 31.451 -0.638 -29.793 1.00 32.14 O ATOM 490 CB LYS A 31 30.060 -1.610 -27.031 1.00 74.22 C ATOM 491 CG LYS A 31 29.390 -1.216 -25.726 1.00 54.24 C ATOM 492 CD LYS A 31 30.190 -0.157 -24.986 1.00 53.15 C ATOM 493 CE LYS A 31 31.169 -0.783 -24.005 1.00 52.31 C ATOM 494 NZ LYS A 31 32.565 -0.757 -24.522 1.00 60.43 N ATOM 0 H LYS A 31 27.777 -1.699 -28.083 1.00 54.10 H new ATOM 0 HA LYS A 31 29.885 0.295 -28.014 1.00 64.21 H new ATOM 0 HB2 LYS A 31 29.828 -2.652 -27.249 1.00 74.22 H new ATOM 0 HB3 LYS A 31 31.141 -1.543 -26.909 1.00 74.22 H new ATOM 0 HG2 LYS A 31 28.388 -0.840 -25.930 1.00 54.24 H new ATOM 0 HG3 LYS A 31 29.277 -2.096 -25.093 1.00 54.24 H new ATOM 0 HD2 LYS A 31 30.735 0.457 -25.704 1.00 53.15 H new ATOM 0 HD3 LYS A 31 29.510 0.506 -24.451 1.00 53.15 H new ATOM 0 HE2 LYS A 31 31.123 -0.249 -23.056 1.00 52.31 H new ATOM 0 HE3 LYS A 31 30.875 -1.813 -23.806 1.00 52.31 H new ATOM 0 HZ1 LYS A 31 33.216 -1.083 -23.779 1.00 60.43 H new ATOM 0 HZ2 LYS A 31 32.641 -1.384 -25.348 1.00 60.43 H new ATOM 0 HZ3 LYS A 31 32.814 0.214 -24.800 1.00 60.43 H new ATOM 508 N TRP A 32 29.845 -2.166 -30.177 1.00 24.33 N ATOM 509 CA TRP A 32 30.468 -2.674 -31.394 1.00 30.40 C ATOM 510 C TRP A 32 30.795 -1.536 -32.354 1.00 71.12 C ATOM 511 O TRP A 32 31.779 -1.595 -33.091 1.00 62.44 O ATOM 512 CB TRP A 32 29.548 -3.687 -32.078 1.00 15.42 C ATOM 513 CG TRP A 32 29.543 -5.029 -31.412 1.00 75.41 C ATOM 514 CD1 TRP A 32 29.363 -5.284 -30.082 1.00 61.35 C ATOM 515 CD2 TRP A 32 29.727 -6.300 -32.045 1.00 62.30 C ATOM 516 NE1 TRP A 32 29.425 -6.637 -29.851 1.00 21.33 N ATOM 517 CE2 TRP A 32 29.647 -7.283 -31.038 1.00 53.55 C ATOM 518 CE3 TRP A 32 29.950 -6.704 -33.364 1.00 25.41 C ATOM 519 CZ2 TRP A 32 29.783 -8.641 -31.312 1.00 2.12 C ATOM 520 CZ3 TRP A 32 30.086 -8.053 -33.634 1.00 10.05 C ATOM 521 CH2 TRP A 32 30.001 -9.008 -32.612 1.00 23.21 C ATOM 0 H TRP A 32 28.970 -2.627 -29.926 1.00 24.33 H new ATOM 0 HA TRP A 32 31.399 -3.169 -31.117 1.00 30.40 H new ATOM 0 HB2 TRP A 32 28.532 -3.293 -32.092 1.00 15.42 H new ATOM 0 HB3 TRP A 32 29.858 -3.806 -33.116 1.00 15.42 H new ATOM 0 HD1 TRP A 32 29.197 -4.533 -29.324 1.00 61.35 H new ATOM 0 HE1 TRP A 32 29.322 -7.088 -28.942 1.00 21.33 H new ATOM 0 HE3 TRP A 32 30.015 -5.975 -34.158 1.00 25.41 H new ATOM 0 HZ2 TRP A 32 29.719 -9.379 -30.526 1.00 2.12 H new ATOM 0 HZ3 TRP A 32 30.261 -8.376 -34.650 1.00 10.05 H new ATOM 0 HH2 TRP A 32 30.110 -10.055 -32.855 1.00 23.21 H new ATOM 532 N LYS A 33 29.964 -0.499 -32.341 1.00 32.51 N ATOM 533 CA LYS A 33 30.165 0.654 -33.210 1.00 11.24 C ATOM 534 C LYS A 33 31.083 1.678 -32.550 1.00 44.13 C ATOM 535 O LYS A 33 31.803 2.408 -33.230 1.00 41.40 O ATOM 536 CB LYS A 33 28.821 1.303 -33.549 1.00 62.05 C ATOM 537 CG LYS A 33 28.953 2.621 -34.294 1.00 31.44 C ATOM 538 CD LYS A 33 27.964 2.713 -35.444 1.00 30.25 C ATOM 539 CE LYS A 33 26.580 3.114 -34.957 1.00 52.55 C ATOM 540 NZ LYS A 33 25.703 1.930 -34.739 1.00 44.51 N ATOM 0 H LYS A 33 29.144 -0.434 -31.737 1.00 32.51 H new ATOM 0 HA LYS A 33 30.637 0.307 -34.129 1.00 11.24 H new ATOM 0 HB2 LYS A 33 28.235 0.611 -34.153 1.00 62.05 H new ATOM 0 HB3 LYS A 33 28.265 1.471 -32.627 1.00 62.05 H new ATOM 0 HG2 LYS A 33 28.788 3.448 -33.604 1.00 31.44 H new ATOM 0 HG3 LYS A 33 29.968 2.723 -34.677 1.00 31.44 H new ATOM 0 HD2 LYS A 33 28.319 3.441 -36.174 1.00 30.25 H new ATOM 0 HD3 LYS A 33 27.907 1.752 -35.954 1.00 30.25 H new ATOM 0 HE2 LYS A 33 26.671 3.675 -34.027 1.00 52.55 H new ATOM 0 HE3 LYS A 33 26.117 3.779 -35.686 1.00 52.55 H new ATOM 0 HZ1 LYS A 33 24.769 2.246 -34.408 1.00 44.51 H new ATOM 0 HZ2 LYS A 33 25.595 1.409 -35.632 1.00 44.51 H new ATOM 0 HZ3 LYS A 33 26.131 1.307 -34.025 1.00 44.51 H new ATOM 554 N ASN A 34 31.054 1.724 -31.222 1.00 40.33 N ATOM 555 CA ASN A 34 31.885 2.658 -30.471 1.00 41.34 C ATOM 556 C ASN A 34 31.628 4.095 -30.917 1.00 35.35 C ATOM 557 O ASN A 34 32.490 4.962 -30.777 1.00 41.43 O ATOM 558 CB ASN A 34 33.365 2.314 -30.651 1.00 41.51 C ATOM 559 CG ASN A 34 34.258 3.085 -29.698 1.00 14.34 C ATOM 560 OD1 ASN A 34 35.205 3.751 -30.117 1.00 74.22 O ATOM 561 ND2 ASN A 34 33.959 2.998 -28.407 1.00 13.33 N ATOM 0 H ASN A 34 30.464 1.125 -30.644 1.00 40.33 H new ATOM 0 HA ASN A 34 31.624 2.571 -29.416 1.00 41.34 H new ATOM 0 HB2 ASN A 34 33.508 1.245 -30.494 1.00 41.51 H new ATOM 0 HB3 ASN A 34 33.663 2.528 -31.677 1.00 41.51 H new ATOM 0 HD21 ASN A 34 34.524 3.495 -27.718 1.00 13.33 H new ATOM 0 HD22 ASN A 34 33.165 2.434 -28.104 1.00 13.33 H new ATOM 568 N ILE A 35 30.436 4.338 -31.451 1.00 72.24 N ATOM 569 CA ILE A 35 30.064 5.669 -31.915 1.00 62.20 C ATOM 570 C ILE A 35 28.568 5.912 -31.746 1.00 5.35 C ATOM 571 O ILE A 35 28.121 6.394 -30.705 1.00 20.03 O ATOM 572 CB ILE A 35 30.442 5.876 -33.394 1.00 23.24 C ATOM 573 CG1 ILE A 35 31.946 5.671 -33.592 1.00 13.43 C ATOM 574 CG2 ILE A 35 30.025 7.263 -33.858 1.00 3.43 C ATOM 575 CD1 ILE A 35 32.395 5.843 -35.026 1.00 1.33 C ATOM 0 H ILE A 35 29.711 3.631 -31.573 1.00 72.24 H new ATOM 0 HA ILE A 35 30.617 6.382 -31.304 1.00 62.20 H new ATOM 0 HB ILE A 35 29.912 5.138 -33.996 1.00 23.24 H new ATOM 0 HG12 ILE A 35 32.487 6.378 -32.963 1.00 13.43 H new ATOM 0 HG13 ILE A 35 32.216 4.671 -33.253 1.00 13.43 H new ATOM 0 HG21 ILE A 35 30.299 7.394 -34.905 1.00 3.43 H new ATOM 0 HG22 ILE A 35 28.946 7.374 -33.748 1.00 3.43 H new ATOM 0 HG23 ILE A 35 30.531 8.016 -33.254 1.00 3.43 H new ATOM 0 HD11 ILE A 35 33.471 5.683 -35.092 1.00 1.33 H new ATOM 0 HD12 ILE A 35 31.881 5.118 -35.658 1.00 1.33 H new ATOM 0 HD13 ILE A 35 32.156 6.852 -35.363 1.00 1.33 H new TER 587 ILE A 35