USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 293 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 TYR OH : rot 30:sc= 0.795 USER MOD Set 1.2: A 29 LYS NZ :NH3+ 180:sc= 0.911 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ -146:sc= -0.0498 (180deg=-0.468) 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 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= -0.0996 K(o=-0.1,f=-3.3!) 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) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -2.317 0.163 -2.884 1.00 44.42 N ATOM 2 CA LYS A 1 -1.279 -0.426 -3.722 1.00 21.11 C ATOM 3 C LYS A 1 -0.446 -1.430 -2.931 1.00 74.21 C ATOM 4 O LYS A 1 0.144 -1.092 -1.905 1.00 11.20 O ATOM 5 CB LYS A 1 -0.372 0.667 -4.292 1.00 14.42 C ATOM 6 CG LYS A 1 -1.119 1.720 -5.093 1.00 10.13 C ATOM 7 CD LYS A 1 -1.743 1.129 -6.345 1.00 74.24 C ATOM 8 CE LYS A 1 -3.247 1.354 -6.378 1.00 33.50 C ATOM 9 NZ LYS A 1 -3.590 2.793 -6.546 1.00 45.11 N ATOM 0 H1 LYS A 1 -3.163 0.350 -3.459 1.00 44.42 H new ATOM 0 H2 LYS A 1 -2.559 -0.496 -2.116 1.00 44.42 H new ATOM 0 H3 LYS A 1 -1.971 1.056 -2.478 1.00 44.42 H new ATOM 0 HA LYS A 1 -1.766 -0.951 -4.544 1.00 21.11 H new ATOM 0 HB2 LYS A 1 0.156 1.153 -3.472 1.00 14.42 H new ATOM 0 HB3 LYS A 1 0.383 0.206 -4.929 1.00 14.42 H new ATOM 0 HG2 LYS A 1 -1.897 2.166 -4.473 1.00 10.13 H new ATOM 0 HG3 LYS A 1 -0.434 2.521 -5.370 1.00 10.13 H new ATOM 0 HD2 LYS A 1 -1.287 1.579 -7.227 1.00 74.24 H new ATOM 0 HD3 LYS A 1 -1.533 0.060 -6.388 1.00 74.24 H new ATOM 0 HE2 LYS A 1 -3.682 0.779 -7.196 1.00 33.50 H new ATOM 0 HE3 LYS A 1 -3.690 0.981 -5.455 1.00 33.50 H new ATOM 0 HZ1 LYS A 1 -4.624 2.904 -6.564 1.00 45.11 H new ATOM 0 HZ2 LYS A 1 -3.197 3.339 -5.753 1.00 45.11 H new ATOM 0 HZ3 LYS A 1 -3.189 3.143 -7.439 1.00 45.11 H new ATOM 23 N LYS A 2 -0.402 -2.667 -3.416 1.00 1.44 N ATOM 24 CA LYS A 2 0.361 -3.720 -2.756 1.00 75.34 C ATOM 25 C LYS A 2 1.830 -3.662 -3.160 1.00 63.32 C ATOM 26 O LYS A 2 2.707 -4.094 -2.411 1.00 74.13 O ATOM 27 CB LYS A 2 -0.221 -5.093 -3.104 1.00 11.54 C ATOM 28 CG LYS A 2 -0.053 -5.472 -4.565 1.00 30.44 C ATOM 29 CD LYS A 2 -1.245 -6.264 -5.076 1.00 12.22 C ATOM 30 CE LYS A 2 -1.082 -7.752 -4.809 1.00 20.24 C ATOM 31 NZ LYS A 2 -1.517 -8.575 -5.971 1.00 30.31 N ATOM 0 H LYS A 2 -0.886 -2.964 -4.263 1.00 1.44 H new ATOM 0 HA LYS A 2 0.292 -3.564 -1.679 1.00 75.34 H new ATOM 0 HB2 LYS A 2 0.259 -5.850 -2.483 1.00 11.54 H new ATOM 0 HB3 LYS A 2 -1.282 -5.102 -2.855 1.00 11.54 H new ATOM 0 HG2 LYS A 2 0.069 -4.570 -5.164 1.00 30.44 H new ATOM 0 HG3 LYS A 2 0.856 -6.061 -4.687 1.00 30.44 H new ATOM 0 HD2 LYS A 2 -2.155 -5.905 -4.595 1.00 12.22 H new ATOM 0 HD3 LYS A 2 -1.363 -6.096 -6.147 1.00 12.22 H new ATOM 0 HE2 LYS A 2 -0.038 -7.968 -4.582 1.00 20.24 H new ATOM 0 HE3 LYS A 2 -1.664 -8.029 -3.930 1.00 20.24 H new ATOM 0 HZ1 LYS A 2 -1.390 -9.583 -5.749 1.00 30.31 H new ATOM 0 HZ2 LYS A 2 -2.520 -8.388 -6.173 1.00 30.31 H new ATOM 0 HZ3 LYS A 2 -0.945 -8.329 -6.804 1.00 30.31 H new ATOM 45 N TRP A 3 2.092 -3.126 -4.346 1.00 42.53 N ATOM 46 CA TRP A 3 3.457 -3.010 -4.848 1.00 72.12 C ATOM 47 C TRP A 3 4.124 -4.379 -4.931 1.00 51.41 C ATOM 48 O TRP A 3 5.230 -4.572 -4.429 1.00 43.41 O ATOM 49 CB TRP A 3 4.276 -2.083 -3.949 1.00 22.12 C ATOM 50 CG TRP A 3 3.712 -0.698 -3.853 1.00 1.15 C ATOM 51 CD1 TRP A 3 3.042 -0.016 -4.828 1.00 31.22 C ATOM 52 CD2 TRP A 3 3.771 0.175 -2.719 1.00 23.52 C ATOM 53 NE1 TRP A 3 2.681 1.228 -4.369 1.00 32.53 N ATOM 54 CE2 TRP A 3 3.116 1.369 -3.078 1.00 32.35 C ATOM 55 CE3 TRP A 3 4.312 0.063 -1.435 1.00 61.42 C ATOM 56 CZ2 TRP A 3 2.989 2.441 -2.198 1.00 43.05 C ATOM 57 CZ3 TRP A 3 4.186 1.128 -0.564 1.00 61.11 C ATOM 58 CH2 TRP A 3 3.528 2.304 -0.948 1.00 44.12 C ATOM 0 H TRP A 3 1.378 -2.765 -4.978 1.00 42.53 H new ATOM 0 HA TRP A 3 3.414 -2.586 -5.851 1.00 72.12 H new ATOM 0 HB2 TRP A 3 4.333 -2.515 -2.950 1.00 22.12 H new ATOM 0 HB3 TRP A 3 5.296 -2.027 -4.330 1.00 22.12 H new ATOM 0 HD1 TRP A 3 2.827 -0.398 -5.815 1.00 31.22 H new ATOM 0 HE1 TRP A 3 2.172 1.932 -4.903 1.00 32.53 H new ATOM 0 HE3 TRP A 3 4.819 -0.840 -1.129 1.00 61.42 H new ATOM 0 HZ2 TRP A 3 2.483 3.349 -2.492 1.00 43.05 H new ATOM 0 HZ3 TRP A 3 4.602 1.053 0.430 1.00 61.11 H new ATOM 0 HH2 TRP A 3 3.445 3.118 -0.243 1.00 44.12 H new ATOM 69 N GLY A 4 3.443 -5.327 -5.569 1.00 5.44 N ATOM 70 CA GLY A 4 3.987 -6.665 -5.705 1.00 70.22 C ATOM 71 C GLY A 4 4.765 -6.847 -6.994 1.00 13.44 C ATOM 72 O GLY A 4 5.001 -7.973 -7.430 1.00 41.01 O ATOM 0 H GLY A 4 2.525 -5.192 -5.993 1.00 5.44 H new ATOM 0 HA2 GLY A 4 4.639 -6.876 -4.858 1.00 70.22 H new ATOM 0 HA3 GLY A 4 3.174 -7.390 -5.670 1.00 70.22 H new ATOM 76 N TRP A 5 5.162 -5.736 -7.604 1.00 74.01 N ATOM 77 CA TRP A 5 5.916 -5.778 -8.852 1.00 12.22 C ATOM 78 C TRP A 5 7.391 -6.060 -8.587 1.00 74.02 C ATOM 79 O TRP A 5 7.942 -7.046 -9.079 1.00 3.42 O ATOM 80 CB TRP A 5 5.764 -4.457 -9.608 1.00 3.22 C ATOM 81 CG TRP A 5 4.336 -4.053 -9.818 1.00 62.33 C ATOM 82 CD1 TRP A 5 3.243 -4.872 -9.807 1.00 1.13 C ATOM 83 CD2 TRP A 5 3.848 -2.732 -10.074 1.00 12.14 C ATOM 84 NE1 TRP A 5 2.104 -4.139 -10.040 1.00 4.24 N ATOM 85 CE2 TRP A 5 2.448 -2.823 -10.206 1.00 23.44 C ATOM 86 CE3 TRP A 5 4.456 -1.480 -10.201 1.00 71.34 C ATOM 87 CZ2 TRP A 5 1.651 -1.711 -10.460 1.00 53.12 C ATOM 88 CZ3 TRP A 5 3.663 -0.377 -10.454 1.00 71.24 C ATOM 89 CH2 TRP A 5 2.273 -0.498 -10.581 1.00 14.02 C ATOM 0 H TRP A 5 4.975 -4.796 -7.255 1.00 74.01 H new ATOM 0 HA TRP A 5 5.515 -6.586 -9.463 1.00 12.22 H new ATOM 0 HB2 TRP A 5 6.279 -3.670 -9.057 1.00 3.22 H new ATOM 0 HB3 TRP A 5 6.256 -4.543 -10.577 1.00 3.22 H new ATOM 0 HD1 TRP A 5 3.270 -5.939 -9.640 1.00 1.13 H new ATOM 0 HE1 TRP A 5 1.156 -4.514 -10.082 1.00 4.24 H new ATOM 0 HE3 TRP A 5 5.527 -1.376 -10.103 1.00 71.34 H new ATOM 0 HZ2 TRP A 5 0.579 -1.802 -10.558 1.00 53.12 H new ATOM 0 HZ3 TRP A 5 4.123 0.595 -10.556 1.00 71.24 H new ATOM 0 HH2 TRP A 5 1.681 0.383 -10.778 1.00 14.02 H new ATOM 100 N LEU A 6 8.024 -5.190 -7.808 1.00 64.52 N ATOM 101 CA LEU A 6 9.437 -5.347 -7.478 1.00 13.11 C ATOM 102 C LEU A 6 9.665 -6.603 -6.642 1.00 53.45 C ATOM 103 O LEU A 6 10.743 -7.194 -6.674 1.00 45.24 O ATOM 104 CB LEU A 6 9.943 -4.118 -6.721 1.00 12.13 C ATOM 105 CG LEU A 6 9.534 -2.761 -7.295 1.00 5.33 C ATOM 106 CD1 LEU A 6 8.542 -2.068 -6.373 1.00 64.13 C ATOM 107 CD2 LEU A 6 10.759 -1.885 -7.517 1.00 63.52 C ATOM 0 H LEU A 6 7.582 -4.369 -7.393 1.00 64.52 H new ATOM 0 HA LEU A 6 9.994 -5.447 -8.410 1.00 13.11 H new ATOM 0 HB2 LEU A 6 9.587 -4.177 -5.693 1.00 12.13 H new ATOM 0 HB3 LEU A 6 11.032 -4.161 -6.684 1.00 12.13 H new ATOM 0 HG LEU A 6 9.050 -2.926 -8.258 1.00 5.33 H new ATOM 0 HD11 LEU A 6 8.263 -1.104 -6.798 1.00 64.13 H new ATOM 0 HD12 LEU A 6 7.652 -2.688 -6.264 1.00 64.13 H new ATOM 0 HD13 LEU A 6 9.000 -1.915 -5.396 1.00 64.13 H new ATOM 0 HD21 LEU A 6 10.449 -0.923 -7.926 1.00 63.52 H new ATOM 0 HD22 LEU A 6 11.271 -1.728 -6.568 1.00 63.52 H new ATOM 0 HD23 LEU A 6 11.435 -2.376 -8.217 1.00 63.52 H new ATOM 119 N ALA A 7 8.641 -7.005 -5.897 1.00 74.22 N ATOM 120 CA ALA A 7 8.728 -8.193 -5.057 1.00 11.02 C ATOM 121 C ALA A 7 8.910 -9.450 -5.900 1.00 63.14 C ATOM 122 O ALA A 7 9.514 -10.426 -5.455 1.00 4.45 O ATOM 123 CB ALA A 7 7.487 -8.315 -4.185 1.00 74.24 C ATOM 0 H ALA A 7 7.742 -6.526 -5.858 1.00 74.22 H new ATOM 0 HA ALA A 7 9.602 -8.089 -4.414 1.00 11.02 H new ATOM 0 HB1 ALA A 7 7.566 -9.207 -3.563 1.00 74.24 H new ATOM 0 HB2 ALA A 7 7.402 -7.435 -3.548 1.00 74.24 H new ATOM 0 HB3 ALA A 7 6.603 -8.391 -4.818 1.00 74.24 H new ATOM 129 N TRP A 8 8.384 -9.420 -7.119 1.00 62.13 N ATOM 130 CA TRP A 8 8.489 -10.559 -8.025 1.00 12.40 C ATOM 131 C TRP A 8 9.749 -10.462 -8.878 1.00 12.30 C ATOM 132 O TRP A 8 10.289 -11.475 -9.322 1.00 5.14 O ATOM 133 CB TRP A 8 7.254 -10.636 -8.924 1.00 70.42 C ATOM 134 CG TRP A 8 6.078 -11.291 -8.264 1.00 4.33 C ATOM 135 CD1 TRP A 8 5.628 -11.075 -6.993 1.00 32.14 C ATOM 136 CD2 TRP A 8 5.206 -12.268 -8.841 1.00 33.14 C ATOM 137 NE1 TRP A 8 4.527 -11.860 -6.745 1.00 4.14 N ATOM 138 CE2 TRP A 8 4.248 -12.600 -7.863 1.00 32.24 C ATOM 139 CE3 TRP A 8 5.139 -12.894 -10.088 1.00 51.44 C ATOM 140 CZ2 TRP A 8 3.238 -13.530 -8.096 1.00 22.24 C ATOM 141 CZ3 TRP A 8 4.136 -13.817 -10.318 1.00 5.40 C ATOM 142 CH2 TRP A 8 3.197 -14.127 -9.326 1.00 74.42 C ATOM 0 H TRP A 8 7.881 -8.620 -7.503 1.00 62.13 H new ATOM 0 HA TRP A 8 8.550 -11.466 -7.424 1.00 12.40 H new ATOM 0 HB2 TRP A 8 6.974 -9.628 -9.232 1.00 70.42 H new ATOM 0 HB3 TRP A 8 7.507 -11.187 -9.830 1.00 70.42 H new ATOM 0 HD1 TRP A 8 6.072 -10.389 -6.287 1.00 32.14 H new ATOM 0 HE1 TRP A 8 4.003 -11.887 -5.870 1.00 4.14 H new ATOM 0 HE3 TRP A 8 5.858 -12.661 -10.859 1.00 51.44 H new ATOM 0 HZ2 TRP A 8 2.513 -13.771 -7.333 1.00 22.24 H new ATOM 0 HZ3 TRP A 8 4.075 -14.307 -11.278 1.00 5.40 H new ATOM 0 HH2 TRP A 8 2.425 -14.852 -9.537 1.00 74.42 H new ATOM 153 N VAL A 9 10.213 -9.237 -9.104 1.00 55.42 N ATOM 154 CA VAL A 9 11.410 -9.008 -9.903 1.00 44.03 C ATOM 155 C VAL A 9 12.673 -9.252 -9.084 1.00 34.21 C ATOM 156 O VAL A 9 13.712 -9.632 -9.624 1.00 11.50 O ATOM 157 CB VAL A 9 11.445 -7.574 -10.465 1.00 24.14 C ATOM 158 CG1 VAL A 9 12.716 -7.346 -11.269 1.00 71.44 C ATOM 159 CG2 VAL A 9 10.212 -7.304 -11.313 1.00 33.04 C ATOM 0 H VAL A 9 9.777 -8.388 -8.744 1.00 55.42 H new ATOM 0 HA VAL A 9 11.376 -9.714 -10.732 1.00 44.03 H new ATOM 0 HB VAL A 9 11.443 -6.875 -9.629 1.00 24.14 H new ATOM 0 HG11 VAL A 9 12.723 -6.328 -11.658 1.00 71.44 H new ATOM 0 HG12 VAL A 9 13.584 -7.495 -10.627 1.00 71.44 H new ATOM 0 HG13 VAL A 9 12.753 -8.052 -12.099 1.00 71.44 H new ATOM 0 HG21 VAL A 9 10.253 -6.287 -11.702 1.00 33.04 H new ATOM 0 HG22 VAL A 9 10.180 -8.009 -12.144 1.00 33.04 H new ATOM 0 HG23 VAL A 9 9.317 -7.423 -10.702 1.00 33.04 H new ATOM 169 N ASP A 10 12.575 -9.033 -7.777 1.00 54.25 N ATOM 170 CA ASP A 10 13.708 -9.231 -6.882 1.00 4.32 C ATOM 171 C ASP A 10 14.296 -10.628 -7.050 1.00 31.45 C ATOM 172 O ASP A 10 15.462 -10.800 -7.404 1.00 44.33 O ATOM 173 CB ASP A 10 13.282 -9.014 -5.429 1.00 71.11 C ATOM 174 CG ASP A 10 13.730 -7.671 -4.888 1.00 43.31 C ATOM 175 OD1 ASP A 10 14.953 -7.476 -4.721 1.00 53.01 O ATOM 176 OD2 ASP A 10 12.859 -6.814 -4.633 1.00 11.33 O ATOM 0 H ASP A 10 11.722 -8.718 -7.314 1.00 54.25 H new ATOM 0 HA ASP A 10 14.475 -8.501 -7.140 1.00 4.32 H new ATOM 0 HB2 ASP A 10 12.197 -9.088 -5.357 1.00 71.11 H new ATOM 0 HB3 ASP A 10 13.697 -9.809 -4.809 1.00 71.11 H new ATOM 181 N PRO A 11 13.471 -11.653 -6.788 1.00 13.13 N ATOM 182 CA PRO A 11 13.887 -13.054 -6.902 1.00 52.23 C ATOM 183 C PRO A 11 14.110 -13.476 -8.351 1.00 12.25 C ATOM 184 O PRO A 11 14.802 -14.457 -8.622 1.00 15.24 O ATOM 185 CB PRO A 11 12.711 -13.824 -6.296 1.00 0.10 C ATOM 186 CG PRO A 11 11.537 -12.925 -6.475 1.00 12.31 C ATOM 187 CD PRO A 11 12.068 -11.523 -6.360 1.00 54.53 C ATOM 0 HA PRO A 11 14.838 -13.239 -6.402 1.00 52.23 H new ATOM 0 HB2 PRO A 11 12.560 -14.778 -6.801 1.00 0.10 H new ATOM 0 HB3 PRO A 11 12.883 -14.045 -5.243 1.00 0.10 H new ATOM 0 HG2 PRO A 11 11.067 -13.086 -7.445 1.00 12.31 H new ATOM 0 HG3 PRO A 11 10.778 -13.118 -5.717 1.00 12.31 H new ATOM 0 HD2 PRO A 11 11.516 -10.831 -6.996 1.00 54.53 H new ATOM 0 HD3 PRO A 11 11.992 -11.147 -5.340 1.00 54.53 H new ATOM 195 N ALA A 12 13.520 -12.728 -9.277 1.00 72.14 N ATOM 196 CA ALA A 12 13.656 -13.024 -10.698 1.00 45.42 C ATOM 197 C ALA A 12 15.090 -12.805 -11.169 1.00 3.50 C ATOM 198 O ALA A 12 15.709 -13.701 -11.743 1.00 3.11 O ATOM 199 CB ALA A 12 12.696 -12.168 -11.510 1.00 53.31 C ATOM 0 H ALA A 12 12.943 -11.913 -9.069 1.00 72.14 H new ATOM 0 HA ALA A 12 13.407 -14.074 -10.851 1.00 45.42 H new ATOM 0 HB1 ALA A 12 12.809 -12.400 -12.569 1.00 53.31 H new ATOM 0 HB2 ALA A 12 11.672 -12.376 -11.200 1.00 53.31 H new ATOM 0 HB3 ALA A 12 12.919 -11.114 -11.344 1.00 53.31 H new ATOM 205 N TYR A 13 15.612 -11.608 -10.924 1.00 1.15 N ATOM 206 CA TYR A 13 16.972 -11.270 -11.325 1.00 64.35 C ATOM 207 C TYR A 13 17.971 -12.280 -10.769 1.00 64.31 C ATOM 208 O TYR A 13 18.817 -12.798 -11.497 1.00 44.24 O ATOM 209 CB TYR A 13 17.333 -9.863 -10.848 1.00 4.24 C ATOM 210 CG TYR A 13 18.153 -9.076 -11.845 1.00 71.14 C ATOM 211 CD1 TYR A 13 19.443 -9.470 -12.178 1.00 61.35 C ATOM 212 CD2 TYR A 13 17.638 -7.939 -12.454 1.00 52.52 C ATOM 213 CE1 TYR A 13 20.196 -8.754 -13.089 1.00 60.30 C ATOM 214 CE2 TYR A 13 18.383 -7.217 -13.367 1.00 31.31 C ATOM 215 CZ TYR A 13 19.661 -7.629 -13.681 1.00 24.01 C ATOM 216 OH TYR A 13 20.407 -6.913 -14.589 1.00 3.55 O ATOM 0 H TYR A 13 15.113 -10.855 -10.449 1.00 1.15 H new ATOM 0 HA TYR A 13 17.020 -11.300 -12.414 1.00 64.35 H new ATOM 0 HB2 TYR A 13 16.416 -9.315 -10.632 1.00 4.24 H new ATOM 0 HB3 TYR A 13 17.887 -9.937 -9.912 1.00 4.24 H new ATOM 0 HD1 TYR A 13 19.865 -10.351 -11.717 1.00 61.35 H new ATOM 0 HD2 TYR A 13 16.638 -7.613 -12.210 1.00 52.52 H new ATOM 0 HE1 TYR A 13 21.198 -9.073 -13.336 1.00 60.30 H new ATOM 0 HE2 TYR A 13 17.967 -6.335 -13.832 1.00 31.31 H new ATOM 0 HH TYR A 13 21.024 -7.516 -15.054 1.00 3.55 H new ATOM 226 N GLU A 14 17.865 -12.555 -9.473 1.00 22.42 N ATOM 227 CA GLU A 14 18.759 -13.503 -8.818 1.00 22.20 C ATOM 228 C GLU A 14 18.691 -14.870 -9.492 1.00 60.43 C ATOM 229 O GLU A 14 19.674 -15.611 -9.520 1.00 61.01 O ATOM 230 CB GLU A 14 18.402 -13.635 -7.336 1.00 50.10 C ATOM 231 CG GLU A 14 18.582 -12.347 -6.550 1.00 23.33 C ATOM 232 CD GLU A 14 19.033 -12.593 -5.123 1.00 23.30 C ATOM 233 OE1 GLU A 14 20.258 -12.651 -4.889 1.00 65.21 O ATOM 234 OE2 GLU A 14 18.160 -12.728 -4.240 1.00 40.42 O ATOM 0 H GLU A 14 17.170 -12.135 -8.856 1.00 22.42 H new ATOM 0 HA GLU A 14 19.777 -13.123 -8.907 1.00 22.20 H new ATOM 0 HB2 GLU A 14 17.366 -13.963 -7.248 1.00 50.10 H new ATOM 0 HB3 GLU A 14 19.021 -14.413 -6.890 1.00 50.10 H new ATOM 0 HG2 GLU A 14 19.314 -11.717 -7.055 1.00 23.33 H new ATOM 0 HG3 GLU A 14 17.641 -11.797 -6.540 1.00 23.33 H new ATOM 241 N PHE A 15 17.523 -15.198 -10.035 1.00 30.54 N ATOM 242 CA PHE A 15 17.325 -16.477 -10.708 1.00 12.14 C ATOM 243 C PHE A 15 18.092 -16.522 -12.026 1.00 21.22 C ATOM 244 O PHE A 15 18.748 -17.516 -12.340 1.00 52.15 O ATOM 245 CB PHE A 15 15.835 -16.717 -10.963 1.00 24.40 C ATOM 246 CG PHE A 15 15.400 -18.128 -10.685 1.00 13.41 C ATOM 247 CD1 PHE A 15 15.462 -19.094 -11.676 1.00 15.00 C ATOM 248 CD2 PHE A 15 14.929 -18.487 -9.432 1.00 72.14 C ATOM 249 CE1 PHE A 15 15.060 -20.392 -11.423 1.00 24.12 C ATOM 250 CE2 PHE A 15 14.527 -19.784 -9.173 1.00 54.13 C ATOM 251 CZ PHE A 15 14.594 -20.738 -10.170 1.00 15.23 C ATOM 0 H PHE A 15 16.700 -14.596 -10.022 1.00 30.54 H new ATOM 0 HA PHE A 15 17.707 -17.265 -10.059 1.00 12.14 H new ATOM 0 HB2 PHE A 15 15.254 -16.037 -10.341 1.00 24.40 H new ATOM 0 HB3 PHE A 15 15.608 -16.473 -12.001 1.00 24.40 H new ATOM 0 HD1 PHE A 15 15.828 -18.830 -12.657 1.00 15.00 H new ATOM 0 HD2 PHE A 15 14.875 -17.745 -8.649 1.00 72.14 H new ATOM 0 HE1 PHE A 15 15.110 -21.135 -12.205 1.00 24.12 H new ATOM 0 HE2 PHE A 15 14.161 -20.051 -8.193 1.00 54.13 H new ATOM 0 HZ PHE A 15 14.282 -21.753 -9.970 1.00 15.23 H new ATOM 261 N ILE A 16 18.004 -15.440 -12.792 1.00 25.21 N ATOM 262 CA ILE A 16 18.690 -15.356 -14.075 1.00 44.13 C ATOM 263 C ILE A 16 20.199 -15.499 -13.903 1.00 33.50 C ATOM 264 O ILE A 16 20.902 -15.925 -14.820 1.00 0.14 O ATOM 265 CB ILE A 16 18.391 -14.023 -14.787 1.00 71.53 C ATOM 266 CG1 ILE A 16 16.882 -13.841 -14.961 1.00 13.35 C ATOM 267 CG2 ILE A 16 19.094 -13.974 -16.135 1.00 42.54 C ATOM 268 CD1 ILE A 16 16.223 -14.960 -15.736 1.00 15.21 C ATOM 0 H ILE A 16 17.465 -14.610 -12.546 1.00 25.21 H new ATOM 0 HA ILE A 16 18.317 -16.178 -14.686 1.00 44.13 H new ATOM 0 HB ILE A 16 18.769 -13.206 -14.172 1.00 71.53 H new ATOM 0 HG12 ILE A 16 16.417 -13.769 -13.978 1.00 13.35 H new ATOM 0 HG13 ILE A 16 16.695 -12.897 -15.472 1.00 13.35 H new ATOM 0 HG21 ILE A 16 18.873 -13.026 -16.626 1.00 42.54 H new ATOM 0 HG22 ILE A 16 20.170 -14.064 -15.988 1.00 42.54 H new ATOM 0 HG23 ILE A 16 18.743 -14.796 -16.759 1.00 42.54 H new ATOM 0 HD11 ILE A 16 15.154 -14.764 -15.820 1.00 15.21 H new ATOM 0 HD12 ILE A 16 16.661 -15.019 -16.733 1.00 15.21 H new ATOM 0 HD13 ILE A 16 16.379 -15.904 -15.215 1.00 15.21 H new ATOM 280 N LYS A 17 20.690 -15.143 -12.721 1.00 21.30 N ATOM 281 CA LYS A 17 22.115 -15.235 -12.425 1.00 51.22 C ATOM 282 C LYS A 17 22.578 -16.688 -12.425 1.00 23.04 C ATOM 283 O LYS A 17 23.710 -16.989 -12.803 1.00 34.12 O ATOM 284 CB LYS A 17 22.418 -14.591 -11.070 1.00 72.31 C ATOM 285 CG LYS A 17 22.182 -13.091 -11.043 1.00 21.11 C ATOM 286 CD LYS A 17 23.416 -12.341 -10.571 1.00 65.11 C ATOM 287 CE LYS A 17 23.585 -12.438 -9.062 1.00 52.05 C ATOM 288 NZ LYS A 17 23.359 -11.127 -8.394 1.00 10.32 N ATOM 0 H LYS A 17 20.122 -14.788 -11.952 1.00 21.30 H new ATOM 0 HA LYS A 17 22.658 -14.700 -13.204 1.00 51.22 H new ATOM 0 HB2 LYS A 17 21.798 -15.062 -10.307 1.00 72.31 H new ATOM 0 HB3 LYS A 17 23.456 -14.792 -10.806 1.00 72.31 H new ATOM 0 HG2 LYS A 17 21.905 -12.747 -12.040 1.00 21.11 H new ATOM 0 HG3 LYS A 17 21.344 -12.865 -10.384 1.00 21.11 H new ATOM 0 HD2 LYS A 17 24.300 -12.746 -11.064 1.00 65.11 H new ATOM 0 HD3 LYS A 17 23.340 -11.294 -10.863 1.00 65.11 H new ATOM 0 HE2 LYS A 17 22.886 -13.174 -8.665 1.00 52.05 H new ATOM 0 HE3 LYS A 17 24.589 -12.795 -8.831 1.00 52.05 H new ATOM 0 HZ1 LYS A 17 23.483 -11.235 -7.367 1.00 10.32 H new ATOM 0 HZ2 LYS A 17 24.043 -10.431 -8.754 1.00 10.32 H new ATOM 0 HZ3 LYS A 17 22.393 -10.798 -8.593 1.00 10.32 H new ATOM 302 N GLY A 18 21.695 -17.586 -11.999 1.00 22.15 N ATOM 303 CA GLY A 18 22.032 -18.997 -11.958 1.00 64.05 C ATOM 304 C GLY A 18 21.768 -19.694 -13.278 1.00 74.22 C ATOM 305 O GLY A 18 22.352 -20.739 -13.565 1.00 43.00 O ATOM 0 H GLY A 18 20.752 -17.361 -11.681 1.00 22.15 H new ATOM 0 HA2 GLY A 18 23.084 -19.109 -11.696 1.00 64.05 H new ATOM 0 HA3 GLY A 18 21.454 -19.483 -11.172 1.00 64.05 H new ATOM 309 N PHE A 19 20.882 -19.116 -14.084 1.00 24.45 N ATOM 310 CA PHE A 19 20.539 -19.690 -15.379 1.00 71.43 C ATOM 311 C PHE A 19 21.672 -19.488 -16.381 1.00 55.44 C ATOM 312 O PHE A 19 21.848 -20.281 -17.305 1.00 34.21 O ATOM 313 CB PHE A 19 19.251 -19.061 -15.914 1.00 73.42 C ATOM 314 CG PHE A 19 18.172 -20.064 -16.211 1.00 44.11 C ATOM 315 CD1 PHE A 19 18.407 -21.115 -17.083 1.00 34.33 C ATOM 316 CD2 PHE A 19 16.925 -19.955 -15.618 1.00 72.33 C ATOM 317 CE1 PHE A 19 17.416 -22.039 -17.358 1.00 52.41 C ATOM 318 CE2 PHE A 19 15.930 -20.876 -15.890 1.00 1.14 C ATOM 319 CZ PHE A 19 16.176 -21.920 -16.760 1.00 5.51 C ATOM 0 H PHE A 19 20.389 -18.251 -13.862 1.00 24.45 H new ATOM 0 HA PHE A 19 20.384 -20.760 -15.244 1.00 71.43 H new ATOM 0 HB2 PHE A 19 18.877 -18.342 -15.185 1.00 73.42 H new ATOM 0 HB3 PHE A 19 19.478 -18.504 -16.823 1.00 73.42 H new ATOM 0 HD1 PHE A 19 19.374 -21.213 -17.553 1.00 34.33 H new ATOM 0 HD2 PHE A 19 16.728 -19.142 -14.936 1.00 72.33 H new ATOM 0 HE1 PHE A 19 17.611 -22.853 -18.040 1.00 52.41 H new ATOM 0 HE2 PHE A 19 14.961 -20.779 -15.422 1.00 1.14 H new ATOM 0 HZ PHE A 19 15.401 -22.642 -16.972 1.00 5.51 H new ATOM 329 N GLY A 20 22.437 -18.417 -16.192 1.00 22.23 N ATOM 330 CA GLY A 20 23.543 -18.128 -17.086 1.00 53.13 C ATOM 331 C GLY A 20 24.648 -17.343 -16.408 1.00 15.23 C ATOM 332 O GLY A 20 25.005 -16.250 -16.849 1.00 33.31 O ATOM 0 H GLY A 20 22.310 -17.744 -15.436 1.00 22.23 H new ATOM 0 HA2 GLY A 20 23.949 -19.064 -17.470 1.00 53.13 H new ATOM 0 HA3 GLY A 20 23.175 -17.565 -17.943 1.00 53.13 H new ATOM 336 N LYS A 21 25.190 -17.899 -15.330 1.00 1.23 N ATOM 337 CA LYS A 21 26.261 -17.244 -14.587 1.00 73.23 C ATOM 338 C LYS A 21 27.497 -17.063 -15.462 1.00 2.32 C ATOM 339 O LYS A 21 28.371 -16.252 -15.158 1.00 13.51 O ATOM 340 CB LYS A 21 26.619 -18.060 -13.343 1.00 14.44 C ATOM 341 CG LYS A 21 27.168 -19.440 -13.657 1.00 64.02 C ATOM 342 CD LYS A 21 26.126 -20.521 -13.426 1.00 61.35 C ATOM 343 CE LYS A 21 26.336 -21.222 -12.093 1.00 14.02 C ATOM 344 NZ LYS A 21 27.238 -22.400 -12.221 1.00 14.12 N ATOM 0 H LYS A 21 24.905 -18.802 -14.951 1.00 1.23 H new ATOM 0 HA LYS A 21 25.908 -16.260 -14.279 1.00 73.23 H new ATOM 0 HB2 LYS A 21 27.356 -17.510 -12.758 1.00 14.44 H new ATOM 0 HB3 LYS A 21 25.731 -18.165 -12.720 1.00 14.44 H new ATOM 0 HG2 LYS A 21 27.503 -19.472 -14.694 1.00 64.02 H new ATOM 0 HG3 LYS A 21 28.041 -19.636 -13.034 1.00 64.02 H new ATOM 0 HD2 LYS A 21 25.130 -20.079 -13.453 1.00 61.35 H new ATOM 0 HD3 LYS A 21 26.173 -21.251 -14.234 1.00 61.35 H new ATOM 0 HE2 LYS A 21 26.758 -20.518 -11.375 1.00 14.02 H new ATOM 0 HE3 LYS A 21 25.373 -21.544 -11.696 1.00 14.02 H new ATOM 0 HZ1 LYS A 21 27.356 -22.850 -11.291 1.00 14.12 H new ATOM 0 HZ2 LYS A 21 26.824 -23.084 -12.886 1.00 14.12 H new ATOM 0 HZ3 LYS A 21 28.165 -22.090 -12.575 1.00 14.12 H new ATOM 358 N GLY A 22 27.563 -17.823 -16.551 1.00 25.13 N ATOM 359 CA GLY A 22 28.696 -17.730 -17.453 1.00 3.50 C ATOM 360 C GLY A 22 28.474 -16.719 -18.560 1.00 55.33 C ATOM 361 O GLY A 22 29.410 -16.051 -18.998 1.00 10.23 O ATOM 0 H GLY A 22 26.852 -18.501 -16.825 1.00 25.13 H new ATOM 0 HA2 GLY A 22 29.586 -17.455 -16.887 1.00 3.50 H new ATOM 0 HA3 GLY A 22 28.888 -18.709 -17.892 1.00 3.50 H new ATOM 365 N ALA A 23 27.230 -16.607 -19.016 1.00 41.01 N ATOM 366 CA ALA A 23 26.887 -15.670 -20.079 1.00 64.30 C ATOM 367 C ALA A 23 26.890 -14.234 -19.567 1.00 1.11 C ATOM 368 O ALA A 23 25.964 -13.810 -18.874 1.00 62.44 O ATOM 369 CB ALA A 23 25.530 -16.019 -20.672 1.00 43.41 C ATOM 0 H ALA A 23 26.443 -17.154 -18.666 1.00 41.01 H new ATOM 0 HA ALA A 23 27.644 -15.751 -20.859 1.00 64.30 H new ATOM 0 HB1 ALA A 23 25.286 -15.311 -21.464 1.00 43.41 H new ATOM 0 HB2 ALA A 23 25.561 -17.028 -21.083 1.00 43.41 H new ATOM 0 HB3 ALA A 23 24.769 -15.968 -19.894 1.00 43.41 H new ATOM 375 N ILE A 24 27.936 -13.490 -19.911 1.00 71.02 N ATOM 376 CA ILE A 24 28.058 -12.101 -19.486 1.00 72.11 C ATOM 377 C ILE A 24 27.193 -11.185 -20.345 1.00 71.35 C ATOM 378 O ILE A 24 26.796 -10.103 -19.914 1.00 12.31 O ATOM 379 CB ILE A 24 29.519 -11.619 -19.551 1.00 51.42 C ATOM 380 CG1 ILE A 24 30.435 -12.594 -18.808 1.00 55.25 C ATOM 381 CG2 ILE A 24 29.641 -10.219 -18.967 1.00 21.31 C ATOM 382 CD1 ILE A 24 30.072 -12.772 -17.351 1.00 3.54 C ATOM 0 H ILE A 24 28.711 -13.826 -20.483 1.00 71.02 H new ATOM 0 HA ILE A 24 27.715 -12.056 -18.452 1.00 72.11 H new ATOM 0 HB ILE A 24 29.828 -11.584 -20.596 1.00 51.42 H new ATOM 0 HG12 ILE A 24 30.399 -13.564 -19.304 1.00 55.25 H new ATOM 0 HG13 ILE A 24 31.463 -12.239 -18.877 1.00 55.25 H new ATOM 0 HG21 ILE A 24 30.679 -9.892 -19.020 1.00 21.31 H new ATOM 0 HG22 ILE A 24 29.015 -9.532 -19.536 1.00 21.31 H new ATOM 0 HG23 ILE A 24 29.316 -10.229 -17.927 1.00 21.31 H new ATOM 0 HD11 ILE A 24 30.763 -13.476 -16.887 1.00 3.54 H new ATOM 0 HD12 ILE A 24 30.136 -11.811 -16.840 1.00 3.54 H new ATOM 0 HD13 ILE A 24 29.055 -13.157 -17.274 1.00 3.54 H new ATOM 394 N LYS A 25 26.903 -11.627 -21.564 1.00 74.44 N ATOM 395 CA LYS A 25 26.082 -10.850 -22.485 1.00 72.13 C ATOM 396 C LYS A 25 24.701 -10.585 -21.893 1.00 5.13 C ATOM 397 O LYS A 25 24.119 -9.523 -22.107 1.00 14.45 O ATOM 398 CB LYS A 25 25.943 -11.584 -23.821 1.00 35.42 C ATOM 399 CG LYS A 25 25.315 -12.962 -23.695 1.00 64.00 C ATOM 400 CD LYS A 25 23.823 -12.924 -23.980 1.00 44.31 C ATOM 401 CE LYS A 25 23.539 -12.992 -25.473 1.00 23.32 C ATOM 402 NZ LYS A 25 22.875 -11.755 -25.968 1.00 42.14 N ATOM 0 H LYS A 25 27.225 -12.520 -21.937 1.00 74.44 H new ATOM 0 HA LYS A 25 26.576 -9.893 -22.653 1.00 72.13 H new ATOM 0 HB2 LYS A 25 25.339 -10.979 -24.497 1.00 35.42 H new ATOM 0 HB3 LYS A 25 26.929 -11.683 -24.276 1.00 35.42 H new ATOM 0 HG2 LYS A 25 25.801 -13.649 -24.388 1.00 64.00 H new ATOM 0 HG3 LYS A 25 25.485 -13.349 -22.690 1.00 64.00 H new ATOM 0 HD2 LYS A 25 23.334 -13.758 -23.477 1.00 44.31 H new ATOM 0 HD3 LYS A 25 23.396 -12.009 -23.569 1.00 44.31 H new ATOM 0 HE2 LYS A 25 24.473 -13.144 -26.014 1.00 23.32 H new ATOM 0 HE3 LYS A 25 22.905 -13.853 -25.683 1.00 23.32 H new ATOM 0 HZ1 LYS A 25 22.698 -11.841 -26.989 1.00 42.14 H new ATOM 0 HZ2 LYS A 25 21.971 -11.623 -25.470 1.00 42.14 H new ATOM 0 HZ3 LYS A 25 23.491 -10.936 -25.791 1.00 42.14 H new ATOM 416 N GLU A 26 24.186 -11.557 -21.146 1.00 50.15 N ATOM 417 CA GLU A 26 22.874 -11.426 -20.523 1.00 24.41 C ATOM 418 C GLU A 26 22.845 -10.242 -19.561 1.00 54.12 C ATOM 419 O GLU A 26 21.812 -9.596 -19.386 1.00 61.41 O ATOM 420 CB GLU A 26 22.509 -12.712 -19.778 1.00 2.14 C ATOM 421 CG GLU A 26 22.394 -13.928 -20.682 1.00 14.34 C ATOM 422 CD GLU A 26 21.173 -13.873 -21.580 1.00 2.21 C ATOM 423 OE1 GLU A 26 20.418 -12.882 -21.493 1.00 72.04 O ATOM 424 OE2 GLU A 26 20.973 -14.820 -22.369 1.00 3.14 O ATOM 0 H GLU A 26 24.657 -12.442 -20.958 1.00 50.15 H new ATOM 0 HA GLU A 26 22.141 -11.250 -21.310 1.00 24.41 H new ATOM 0 HB2 GLU A 26 23.263 -12.907 -19.016 1.00 2.14 H new ATOM 0 HB3 GLU A 26 21.562 -12.565 -19.259 1.00 2.14 H new ATOM 0 HG2 GLU A 26 23.290 -14.005 -21.298 1.00 14.34 H new ATOM 0 HG3 GLU A 26 22.350 -14.829 -20.070 1.00 14.34 H new ATOM 431 N GLY A 27 23.986 -9.963 -18.939 1.00 43.04 N ATOM 432 CA GLY A 27 24.070 -8.858 -18.003 1.00 10.23 C ATOM 433 C GLY A 27 25.315 -8.922 -17.140 1.00 35.13 C ATOM 434 O GLY A 27 26.372 -8.427 -17.526 1.00 41.33 O ATOM 0 H GLY A 27 24.854 -10.483 -19.067 1.00 43.04 H new ATOM 0 HA2 GLY A 27 24.062 -7.918 -18.554 1.00 10.23 H new ATOM 0 HA3 GLY A 27 23.188 -8.860 -17.363 1.00 10.23 H new ATOM 438 N ASN A 28 25.188 -9.533 -15.966 1.00 61.12 N ATOM 439 CA ASN A 28 26.312 -9.658 -15.045 1.00 34.33 C ATOM 440 C ASN A 28 26.991 -8.309 -14.829 1.00 61.40 C ATOM 441 O ASN A 28 28.218 -8.213 -14.830 1.00 45.40 O ATOM 442 CB ASN A 28 27.325 -10.673 -15.578 1.00 51.00 C ATOM 443 CG ASN A 28 28.133 -11.321 -14.470 1.00 14.51 C ATOM 444 OD1 ASN A 28 29.255 -10.906 -14.181 1.00 44.03 O ATOM 445 ND2 ASN A 28 27.563 -12.343 -13.843 1.00 61.41 N ATOM 0 H ASN A 28 24.319 -9.949 -15.631 1.00 61.12 H new ATOM 0 HA ASN A 28 25.927 -10.008 -14.087 1.00 34.33 H new ATOM 0 HB2 ASN A 28 26.800 -11.445 -16.140 1.00 51.00 H new ATOM 0 HB3 ASN A 28 28.001 -10.176 -16.274 1.00 51.00 H new ATOM 0 HD21 ASN A 28 28.058 -12.818 -13.088 1.00 61.41 H new ATOM 0 HD22 ASN A 28 26.631 -12.653 -14.116 1.00 61.41 H new ATOM 452 N LYS A 29 26.185 -7.270 -14.644 1.00 14.15 N ATOM 453 CA LYS A 29 26.706 -5.926 -14.424 1.00 40.04 C ATOM 454 C LYS A 29 27.723 -5.916 -13.288 1.00 2.33 C ATOM 455 O LYS A 29 28.641 -5.095 -13.271 1.00 31.12 O ATOM 456 CB LYS A 29 25.563 -4.958 -14.109 1.00 21.41 C ATOM 457 CG LYS A 29 24.843 -4.444 -15.344 1.00 22.25 C ATOM 458 CD LYS A 29 23.356 -4.266 -15.088 1.00 40.31 C ATOM 459 CE LYS A 29 22.552 -4.378 -16.374 1.00 41.24 C ATOM 460 NZ LYS A 29 21.096 -4.534 -16.106 1.00 54.44 N ATOM 0 H LYS A 29 25.167 -7.333 -14.642 1.00 14.15 H new ATOM 0 HA LYS A 29 27.205 -5.603 -15.338 1.00 40.04 H new ATOM 0 HB2 LYS A 29 24.843 -5.458 -13.461 1.00 21.41 H new ATOM 0 HB3 LYS A 29 25.960 -4.110 -13.551 1.00 21.41 H new ATOM 0 HG2 LYS A 29 25.277 -3.492 -15.650 1.00 22.25 H new ATOM 0 HG3 LYS A 29 24.990 -5.141 -16.169 1.00 22.25 H new ATOM 0 HD2 LYS A 29 23.015 -5.019 -14.378 1.00 40.31 H new ATOM 0 HD3 LYS A 29 23.178 -3.293 -14.630 1.00 40.31 H new ATOM 0 HE2 LYS A 29 22.716 -3.489 -16.983 1.00 41.24 H new ATOM 0 HE3 LYS A 29 22.908 -5.231 -16.952 1.00 41.24 H new ATOM 0 HZ1 LYS A 29 20.583 -4.607 -17.008 1.00 54.44 H new ATOM 0 HZ2 LYS A 29 20.936 -5.396 -15.546 1.00 54.44 H new ATOM 0 HZ3 LYS A 29 20.750 -3.708 -15.577 1.00 54.44 H new ATOM 474 N ASP A 30 27.555 -6.832 -12.341 1.00 71.31 N ATOM 475 CA ASP A 30 28.460 -6.930 -11.202 1.00 62.20 C ATOM 476 C ASP A 30 29.634 -7.852 -11.518 1.00 40.23 C ATOM 477 O ASP A 30 29.976 -8.733 -10.730 1.00 34.34 O ATOM 478 CB ASP A 30 27.711 -7.442 -9.971 1.00 22.23 C ATOM 479 CG ASP A 30 26.370 -6.760 -9.784 1.00 21.41 C ATOM 480 OD1 ASP A 30 26.301 -5.527 -9.966 1.00 12.42 O ATOM 481 OD2 ASP A 30 25.390 -7.461 -9.457 1.00 15.44 O ATOM 0 H ASP A 30 26.800 -7.518 -12.340 1.00 71.31 H new ATOM 0 HA ASP A 30 28.850 -5.934 -10.993 1.00 62.20 H new ATOM 0 HB2 ASP A 30 27.559 -8.517 -10.063 1.00 22.23 H new ATOM 0 HB3 ASP A 30 28.324 -7.282 -9.084 1.00 22.23 H new ATOM 486 N LYS A 31 30.248 -7.643 -12.678 1.00 53.21 N ATOM 487 CA LYS A 31 31.384 -8.454 -13.100 1.00 54.33 C ATOM 488 C LYS A 31 32.688 -7.895 -12.542 1.00 5.01 C ATOM 489 O LYS A 31 33.661 -8.628 -12.361 1.00 40.41 O ATOM 490 CB LYS A 31 31.454 -8.513 -14.628 1.00 23.42 C ATOM 491 CG LYS A 31 31.639 -7.155 -15.282 1.00 24.03 C ATOM 492 CD LYS A 31 30.770 -7.009 -16.519 1.00 41.23 C ATOM 493 CE LYS A 31 30.740 -5.570 -17.013 1.00 31.35 C ATOM 494 NZ LYS A 31 29.865 -5.412 -18.207 1.00 12.31 N ATOM 0 H LYS A 31 29.978 -6.918 -13.343 1.00 53.21 H new ATOM 0 HA LYS A 31 31.245 -9.462 -12.709 1.00 54.33 H new ATOM 0 HB2 LYS A 31 32.279 -9.163 -14.921 1.00 23.42 H new ATOM 0 HB3 LYS A 31 30.539 -8.968 -15.008 1.00 23.42 H new ATOM 0 HG2 LYS A 31 31.392 -6.370 -14.568 1.00 24.03 H new ATOM 0 HG3 LYS A 31 32.686 -7.021 -15.554 1.00 24.03 H new ATOM 0 HD2 LYS A 31 31.148 -7.658 -17.309 1.00 41.23 H new ATOM 0 HD3 LYS A 31 29.756 -7.339 -16.293 1.00 41.23 H new ATOM 0 HE2 LYS A 31 30.385 -4.919 -16.214 1.00 31.35 H new ATOM 0 HE3 LYS A 31 31.752 -5.249 -17.259 1.00 31.35 H new ATOM 0 HZ1 LYS A 31 29.871 -4.418 -18.513 1.00 12.31 H new ATOM 0 HZ2 LYS A 31 30.218 -6.014 -18.978 1.00 12.31 H new ATOM 0 HZ3 LYS A 31 28.894 -5.694 -17.965 1.00 12.31 H new ATOM 508 N TRP A 32 32.701 -6.595 -12.270 1.00 23.23 N ATOM 509 CA TRP A 32 33.887 -5.939 -11.730 1.00 60.21 C ATOM 510 C TRP A 32 34.205 -6.455 -10.331 1.00 2.20 C ATOM 511 O TRP A 32 35.320 -6.288 -9.835 1.00 54.50 O ATOM 512 CB TRP A 32 33.685 -4.423 -11.695 1.00 31.52 C ATOM 513 CG TRP A 32 32.409 -4.010 -11.026 1.00 1.21 C ATOM 514 CD1 TRP A 32 31.208 -3.767 -11.630 1.00 23.53 C ATOM 515 CD2 TRP A 32 32.208 -3.788 -9.626 1.00 23.12 C ATOM 516 NE1 TRP A 32 30.273 -3.409 -10.689 1.00 41.52 N ATOM 517 CE2 TRP A 32 30.861 -3.415 -9.452 1.00 42.41 C ATOM 518 CE3 TRP A 32 33.034 -3.871 -8.502 1.00 5.12 C ATOM 519 CZ2 TRP A 32 30.325 -3.124 -8.200 1.00 42.14 C ATOM 520 CZ3 TRP A 32 32.501 -3.582 -7.260 1.00 50.23 C ATOM 521 CH2 TRP A 32 31.157 -3.213 -7.117 1.00 52.23 C ATOM 0 H TRP A 32 31.904 -5.974 -12.414 1.00 23.23 H new ATOM 0 HA TRP A 32 34.729 -6.171 -12.382 1.00 60.21 H new ATOM 0 HB2 TRP A 32 34.525 -3.963 -11.174 1.00 31.52 H new ATOM 0 HB3 TRP A 32 33.693 -4.039 -12.715 1.00 31.52 H new ATOM 0 HD1 TRP A 32 31.021 -3.845 -12.691 1.00 23.53 H new ATOM 0 HE1 TRP A 32 29.299 -3.176 -10.881 1.00 41.52 H new ATOM 0 HE3 TRP A 32 34.071 -4.156 -8.602 1.00 5.12 H new ATOM 0 HZ2 TRP A 32 29.290 -2.838 -8.088 1.00 42.14 H new ATOM 0 HZ3 TRP A 32 33.131 -3.642 -6.385 1.00 50.23 H new ATOM 0 HH2 TRP A 32 30.770 -2.994 -6.133 1.00 52.23 H new ATOM 532 N LYS A 33 33.220 -7.083 -9.698 1.00 51.32 N ATOM 533 CA LYS A 33 33.395 -7.625 -8.356 1.00 12.30 C ATOM 534 C LYS A 33 34.520 -8.654 -8.327 1.00 61.12 C ATOM 535 O LYS A 33 35.122 -8.900 -7.283 1.00 45.31 O ATOM 536 CB LYS A 33 32.093 -8.263 -7.868 1.00 35.32 C ATOM 537 CG LYS A 33 30.897 -7.328 -7.926 1.00 3.23 C ATOM 538 CD LYS A 33 30.853 -6.404 -6.720 1.00 30.52 C ATOM 539 CE LYS A 33 30.414 -7.146 -5.466 1.00 54.43 C ATOM 540 NZ LYS A 33 31.476 -7.149 -4.423 1.00 22.20 N ATOM 0 H LYS A 33 32.291 -7.229 -10.093 1.00 51.32 H new ATOM 0 HA LYS A 33 33.661 -6.803 -7.691 1.00 12.30 H new ATOM 0 HB2 LYS A 33 31.883 -9.146 -8.472 1.00 35.32 H new ATOM 0 HB3 LYS A 33 32.228 -8.603 -6.841 1.00 35.32 H new ATOM 0 HG2 LYS A 33 30.942 -6.734 -8.839 1.00 3.23 H new ATOM 0 HG3 LYS A 33 29.978 -7.913 -7.971 1.00 3.23 H new ATOM 0 HD2 LYS A 33 31.838 -5.966 -6.559 1.00 30.52 H new ATOM 0 HD3 LYS A 33 30.167 -5.580 -6.916 1.00 30.52 H new ATOM 0 HE2 LYS A 33 29.513 -6.681 -5.066 1.00 54.43 H new ATOM 0 HE3 LYS A 33 30.155 -8.173 -5.724 1.00 54.43 H new ATOM 0 HZ1 LYS A 33 31.138 -7.664 -3.585 1.00 22.20 H new ATOM 0 HZ2 LYS A 33 32.328 -7.615 -4.796 1.00 22.20 H new ATOM 0 HZ3 LYS A 33 31.705 -6.170 -4.158 1.00 22.20 H new ATOM 554 N ASN A 34 34.799 -9.252 -9.481 1.00 51.21 N ATOM 555 CA ASN A 34 35.853 -10.254 -9.588 1.00 30.03 C ATOM 556 C ASN A 34 37.207 -9.595 -9.832 1.00 62.33 C ATOM 557 O ASN A 34 38.212 -10.277 -10.038 1.00 0.24 O ATOM 558 CB ASN A 34 35.539 -11.236 -10.718 1.00 63.12 C ATOM 559 CG ASN A 34 35.054 -12.577 -10.202 1.00 4.25 C ATOM 560 OD1 ASN A 34 35.715 -13.600 -10.381 1.00 43.24 O ATOM 561 ND2 ASN A 34 33.894 -12.577 -9.556 1.00 21.34 N ATOM 0 H ASN A 34 34.310 -9.060 -10.355 1.00 51.21 H new ATOM 0 HA ASN A 34 35.899 -10.799 -8.645 1.00 30.03 H new ATOM 0 HB2 ASN A 34 34.779 -10.804 -11.370 1.00 63.12 H new ATOM 0 HB3 ASN A 34 36.432 -11.385 -11.325 1.00 63.12 H new ATOM 0 HD21 ASN A 34 33.517 -13.449 -9.185 1.00 21.34 H new ATOM 0 HD22 ASN A 34 33.380 -11.705 -9.431 1.00 21.34 H new ATOM 568 N ILE A 35 37.226 -8.267 -9.808 1.00 52.02 N ATOM 569 CA ILE A 35 38.456 -7.517 -10.025 1.00 43.45 C ATOM 570 C ILE A 35 39.137 -7.182 -8.703 1.00 10.14 C ATOM 571 O ILE A 35 38.486 -7.094 -7.662 1.00 15.03 O ATOM 572 CB ILE A 35 38.191 -6.211 -10.798 1.00 73.00 C ATOM 573 CG1 ILE A 35 37.334 -6.490 -12.035 1.00 12.24 C ATOM 574 CG2 ILE A 35 39.504 -5.553 -11.194 1.00 61.53 C ATOM 575 CD1 ILE A 35 38.016 -7.372 -13.056 1.00 63.22 C ATOM 0 H ILE A 35 36.403 -7.688 -9.640 1.00 52.02 H new ATOM 0 HA ILE A 35 39.112 -8.154 -10.618 1.00 43.45 H new ATOM 0 HB ILE A 35 37.646 -5.526 -10.148 1.00 73.00 H new ATOM 0 HG12 ILE A 35 36.403 -6.963 -11.723 1.00 12.24 H new ATOM 0 HG13 ILE A 35 37.069 -5.543 -12.504 1.00 12.24 H new ATOM 0 HG21 ILE A 35 39.299 -4.632 -11.739 1.00 61.53 H new ATOM 0 HG22 ILE A 35 40.081 -5.324 -10.298 1.00 61.53 H new ATOM 0 HG23 ILE A 35 40.074 -6.231 -11.829 1.00 61.53 H new ATOM 0 HD11 ILE A 35 37.350 -7.527 -13.905 1.00 63.22 H new ATOM 0 HD12 ILE A 35 38.933 -6.892 -13.397 1.00 63.22 H new ATOM 0 HD13 ILE A 35 38.257 -8.334 -12.603 1.00 63.22 H new TER 587 ILE A 35