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+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= 0.0161 (180deg=0.00212) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.69 F(o=-1.4,f=-0.69) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 14.735 -1.489 -4.068 1.00 51.13 N ATOM 2 CA LYS A 1 13.890 -1.965 -5.157 1.00 32.43 C ATOM 3 C LYS A 1 14.651 -1.960 -6.479 1.00 32.33 C ATOM 4 O LYS A 1 15.456 -1.066 -6.740 1.00 71.22 O ATOM 5 CB LYS A 1 12.636 -1.096 -5.275 1.00 10.15 C ATOM 6 CG LYS A 1 11.435 -1.833 -5.842 1.00 24.43 C ATOM 7 CD LYS A 1 10.132 -1.143 -5.475 1.00 25.13 C ATOM 8 CE LYS A 1 9.029 -1.470 -6.469 1.00 42.25 C ATOM 9 NZ LYS A 1 7.825 -0.619 -6.261 1.00 33.41 N ATOM 0 H1 LYS A 1 14.195 -1.501 -3.179 1.00 51.13 H new ATOM 0 H2 LYS A 1 15.566 -2.108 -3.977 1.00 51.13 H new ATOM 0 H3 LYS A 1 15.047 -0.518 -4.270 1.00 51.13 H new ATOM 0 HA LYS A 1 13.594 -2.990 -4.932 1.00 32.43 H new ATOM 0 HB2 LYS A 1 12.380 -0.706 -4.290 1.00 10.15 H new ATOM 0 HB3 LYS A 1 12.858 -0.238 -5.909 1.00 10.15 H new ATOM 0 HG2 LYS A 1 11.523 -1.893 -6.927 1.00 24.43 H new ATOM 0 HG3 LYS A 1 11.424 -2.856 -5.466 1.00 24.43 H new ATOM 0 HD2 LYS A 1 9.825 -1.451 -4.475 1.00 25.13 H new ATOM 0 HD3 LYS A 1 10.287 -0.064 -5.443 1.00 25.13 H new ATOM 0 HE2 LYS A 1 9.402 -1.330 -7.484 1.00 42.25 H new ATOM 0 HE3 LYS A 1 8.753 -2.520 -6.373 1.00 42.25 H new ATOM 0 HZ1 LYS A 1 7.096 -0.873 -6.958 1.00 33.41 H new ATOM 0 HZ2 LYS A 1 7.454 -0.771 -5.301 1.00 33.41 H new ATOM 0 HZ3 LYS A 1 8.083 0.382 -6.378 1.00 33.41 H new ATOM 23 N LYS A 2 14.390 -2.963 -7.310 1.00 70.31 N ATOM 24 CA LYS A 2 15.048 -3.074 -8.607 1.00 13.33 C ATOM 25 C LYS A 2 14.519 -4.275 -9.384 1.00 41.24 C ATOM 26 O LYS A 2 14.392 -4.226 -10.608 1.00 33.42 O ATOM 27 CB LYS A 2 16.562 -3.197 -8.425 1.00 1.04 C ATOM 28 CG LYS A 2 16.970 -4.273 -7.433 1.00 11.43 C ATOM 29 CD LYS A 2 18.468 -4.525 -7.469 1.00 32.24 C ATOM 30 CE LYS A 2 18.954 -5.176 -6.183 1.00 3.54 C ATOM 31 NZ LYS A 2 20.297 -5.797 -6.349 1.00 61.40 N ATOM 0 H LYS A 2 13.727 -3.711 -7.109 1.00 70.31 H new ATOM 0 HA LYS A 2 14.829 -2.170 -9.176 1.00 13.33 H new ATOM 0 HB2 LYS A 2 17.019 -3.413 -9.391 1.00 1.04 H new ATOM 0 HB3 LYS A 2 16.959 -2.238 -8.092 1.00 1.04 H new ATOM 0 HG2 LYS A 2 16.675 -3.973 -6.428 1.00 11.43 H new ATOM 0 HG3 LYS A 2 16.439 -5.198 -7.659 1.00 11.43 H new ATOM 0 HD2 LYS A 2 18.710 -5.166 -8.317 1.00 32.24 H new ATOM 0 HD3 LYS A 2 18.993 -3.582 -7.622 1.00 32.24 H new ATOM 0 HE2 LYS A 2 18.995 -4.429 -5.391 1.00 3.54 H new ATOM 0 HE3 LYS A 2 18.239 -5.936 -5.868 1.00 3.54 H new ATOM 0 HZ1 LYS A 2 20.593 -6.230 -5.451 1.00 61.40 H new ATOM 0 HZ2 LYS A 2 20.253 -6.528 -7.087 1.00 61.40 H new ATOM 0 HZ3 LYS A 2 20.985 -5.068 -6.625 1.00 61.40 H new ATOM 45 N TRP A 3 14.212 -5.349 -8.667 1.00 63.40 N ATOM 46 CA TRP A 3 13.696 -6.563 -9.291 1.00 11.43 C ATOM 47 C TRP A 3 12.191 -6.463 -9.512 1.00 14.35 C ATOM 48 O TRP A 3 11.653 -7.036 -10.458 1.00 41.22 O ATOM 49 CB TRP A 3 14.017 -7.782 -8.425 1.00 61.12 C ATOM 50 CG TRP A 3 14.780 -8.845 -9.156 1.00 71.04 C ATOM 51 CD1 TRP A 3 14.258 -9.856 -9.912 1.00 14.05 C ATOM 52 CD2 TRP A 3 16.202 -9.003 -9.200 1.00 2.24 C ATOM 53 NE1 TRP A 3 15.270 -10.633 -10.422 1.00 13.23 N ATOM 54 CE2 TRP A 3 16.472 -10.130 -10.000 1.00 42.14 C ATOM 55 CE3 TRP A 3 17.274 -8.301 -8.642 1.00 0.21 C ATOM 56 CZ2 TRP A 3 17.769 -10.569 -10.254 1.00 72.11 C ATOM 57 CZ3 TRP A 3 18.560 -8.738 -8.894 1.00 63.14 C ATOM 58 CH2 TRP A 3 18.799 -9.863 -9.695 1.00 41.12 C ATOM 0 H TRP A 3 14.311 -5.405 -7.653 1.00 63.40 H new ATOM 0 HA TRP A 3 14.180 -6.678 -10.261 1.00 11.43 H new ATOM 0 HB2 TRP A 3 14.595 -7.461 -7.558 1.00 61.12 H new ATOM 0 HB3 TRP A 3 13.086 -8.207 -8.048 1.00 61.12 H new ATOM 0 HD1 TRP A 3 13.204 -10.020 -10.084 1.00 14.05 H new ATOM 0 HE1 TRP A 3 15.146 -11.451 -11.018 1.00 13.23 H new ATOM 0 HE3 TRP A 3 17.100 -7.432 -8.025 1.00 0.21 H new ATOM 0 HZ2 TRP A 3 17.955 -11.436 -10.870 1.00 72.11 H new ATOM 0 HZ3 TRP A 3 19.396 -8.204 -8.466 1.00 63.14 H new ATOM 0 HH2 TRP A 3 19.816 -10.179 -9.874 1.00 41.12 H new ATOM 69 N GLY A 4 11.515 -5.731 -8.631 1.00 54.51 N ATOM 70 CA GLY A 4 10.077 -5.569 -8.748 1.00 61.44 C ATOM 71 C GLY A 4 9.695 -4.349 -9.562 1.00 60.14 C ATOM 72 O GLY A 4 8.679 -4.352 -10.258 1.00 23.20 O ATOM 0 H GLY A 4 11.937 -5.247 -7.839 1.00 54.51 H new ATOM 0 HA2 GLY A 4 9.651 -6.459 -9.211 1.00 61.44 H new ATOM 0 HA3 GLY A 4 9.641 -5.488 -7.752 1.00 61.44 H new ATOM 76 N TRP A 5 10.509 -3.303 -9.475 1.00 32.31 N ATOM 77 CA TRP A 5 10.249 -2.070 -10.208 1.00 42.44 C ATOM 78 C TRP A 5 10.427 -2.280 -11.708 1.00 31.20 C ATOM 79 O TRP A 5 9.794 -1.603 -12.519 1.00 72.44 O ATOM 80 CB TRP A 5 11.181 -0.958 -9.723 1.00 53.10 C ATOM 81 CG TRP A 5 10.922 0.364 -10.381 1.00 71.41 C ATOM 82 CD1 TRP A 5 11.358 0.766 -11.611 1.00 4.21 C ATOM 83 CD2 TRP A 5 10.168 1.456 -9.843 1.00 65.22 C ATOM 84 NE1 TRP A 5 10.922 2.043 -11.870 1.00 12.11 N ATOM 85 CE2 TRP A 5 10.189 2.488 -10.802 1.00 1.05 C ATOM 86 CE3 TRP A 5 9.477 1.662 -8.647 1.00 31.45 C ATOM 87 CZ2 TRP A 5 9.546 3.706 -10.597 1.00 72.23 C ATOM 88 CZ3 TRP A 5 8.839 2.871 -8.445 1.00 62.02 C ATOM 89 CH2 TRP A 5 8.876 3.880 -9.417 1.00 4.24 C ATOM 0 H TRP A 5 11.354 -3.284 -8.904 1.00 32.31 H new ATOM 0 HA TRP A 5 9.216 -1.777 -10.021 1.00 42.44 H new ATOM 0 HB2 TRP A 5 11.071 -0.846 -8.644 1.00 53.10 H new ATOM 0 HB3 TRP A 5 12.214 -1.252 -9.909 1.00 53.10 H new ATOM 0 HD1 TRP A 5 11.957 0.168 -12.282 1.00 4.21 H new ATOM 0 HE1 TRP A 5 11.113 2.574 -12.720 1.00 12.11 H new ATOM 0 HE3 TRP A 5 9.442 0.890 -7.893 1.00 31.45 H new ATOM 0 HZ2 TRP A 5 9.575 4.486 -11.343 1.00 72.23 H new ATOM 0 HZ3 TRP A 5 8.303 3.041 -7.523 1.00 62.02 H new ATOM 0 HH2 TRP A 5 8.365 4.813 -9.231 1.00 4.24 H new ATOM 100 N LEU A 6 11.291 -3.222 -12.070 1.00 41.24 N ATOM 101 CA LEU A 6 11.552 -3.522 -13.474 1.00 53.20 C ATOM 102 C LEU A 6 10.476 -4.441 -14.043 1.00 54.34 C ATOM 103 O LEU A 6 10.228 -4.450 -15.249 1.00 21.52 O ATOM 104 CB LEU A 6 12.928 -4.171 -13.630 1.00 71.21 C ATOM 105 CG LEU A 6 13.181 -4.899 -14.951 1.00 34.11 C ATOM 106 CD1 LEU A 6 13.026 -3.945 -16.125 1.00 11.54 C ATOM 107 CD2 LEU A 6 14.564 -5.532 -14.955 1.00 25.14 C ATOM 0 H LEU A 6 11.823 -3.791 -11.411 1.00 41.24 H new ATOM 0 HA LEU A 6 11.534 -2.585 -14.030 1.00 53.20 H new ATOM 0 HB2 LEU A 6 13.688 -3.398 -13.513 1.00 71.21 H new ATOM 0 HB3 LEU A 6 13.067 -4.881 -12.815 1.00 71.21 H new ATOM 0 HG LEU A 6 12.440 -5.692 -15.054 1.00 34.11 H new ATOM 0 HD11 LEU A 6 13.210 -4.481 -17.056 1.00 11.54 H new ATOM 0 HD12 LEU A 6 12.014 -3.540 -16.133 1.00 11.54 H new ATOM 0 HD13 LEU A 6 13.743 -3.130 -16.028 1.00 11.54 H new ATOM 0 HD21 LEU A 6 14.726 -6.046 -15.903 1.00 25.14 H new ATOM 0 HD22 LEU A 6 15.319 -4.757 -14.828 1.00 25.14 H new ATOM 0 HD23 LEU A 6 14.639 -6.248 -14.137 1.00 25.14 H new ATOM 119 N ALA A 7 9.838 -5.210 -13.168 1.00 33.15 N ATOM 120 CA ALA A 7 8.785 -6.129 -13.582 1.00 62.23 C ATOM 121 C ALA A 7 7.541 -5.371 -14.032 1.00 74.51 C ATOM 122 O ALA A 7 6.695 -5.914 -14.744 1.00 24.44 O ATOM 123 CB ALA A 7 8.443 -7.085 -12.449 1.00 73.44 C ATOM 0 H ALA A 7 10.032 -5.215 -12.167 1.00 33.15 H new ATOM 0 HA ALA A 7 9.153 -6.706 -14.430 1.00 62.23 H new ATOM 0 HB1 ALA A 7 7.655 -7.765 -12.772 1.00 73.44 H new ATOM 0 HB2 ALA A 7 9.329 -7.659 -12.177 1.00 73.44 H new ATOM 0 HB3 ALA A 7 8.099 -6.517 -11.585 1.00 73.44 H new ATOM 129 N TRP A 8 7.434 -4.116 -13.612 1.00 63.12 N ATOM 130 CA TRP A 8 6.291 -3.284 -13.972 1.00 25.22 C ATOM 131 C TRP A 8 6.594 -2.451 -15.212 1.00 52.51 C ATOM 132 O TRP A 8 5.694 -1.858 -15.808 1.00 43.02 O ATOM 133 CB TRP A 8 5.914 -2.369 -12.806 1.00 42.42 C ATOM 134 CG TRP A 8 5.243 -3.090 -11.677 1.00 71.41 C ATOM 135 CD1 TRP A 8 5.379 -4.410 -11.352 1.00 13.21 C ATOM 136 CD2 TRP A 8 4.330 -2.533 -10.726 1.00 13.41 C ATOM 137 NE1 TRP A 8 4.605 -4.706 -10.256 1.00 12.12 N ATOM 138 CE2 TRP A 8 3.952 -3.571 -9.852 1.00 62.13 C ATOM 139 CE3 TRP A 8 3.796 -1.257 -10.526 1.00 12.22 C ATOM 140 CZ2 TRP A 8 3.065 -3.371 -8.798 1.00 2.01 C ATOM 141 CZ3 TRP A 8 2.915 -1.060 -9.479 1.00 44.11 C ATOM 142 CH2 TRP A 8 2.558 -2.112 -8.625 1.00 53.14 C ATOM 0 H TRP A 8 8.124 -3.652 -13.022 1.00 63.12 H new ATOM 0 HA TRP A 8 5.450 -3.941 -14.196 1.00 25.22 H new ATOM 0 HB2 TRP A 8 6.814 -1.880 -12.432 1.00 42.42 H new ATOM 0 HB3 TRP A 8 5.252 -1.583 -13.170 1.00 42.42 H new ATOM 0 HD1 TRP A 8 6.003 -5.117 -11.879 1.00 13.21 H new ATOM 0 HE1 TRP A 8 4.529 -5.622 -9.815 1.00 12.12 H new ATOM 0 HE3 TRP A 8 4.067 -0.439 -11.178 1.00 12.22 H new ATOM 0 HZ2 TRP A 8 2.787 -4.181 -8.140 1.00 2.01 H new ATOM 0 HZ3 TRP A 8 2.495 -0.078 -9.317 1.00 44.11 H new ATOM 0 HH2 TRP A 8 1.869 -1.925 -7.814 1.00 53.14 H new ATOM 153 N VAL A 9 7.866 -2.409 -15.596 1.00 53.23 N ATOM 154 CA VAL A 9 8.286 -1.648 -16.767 1.00 60.31 C ATOM 155 C VAL A 9 7.727 -2.258 -18.048 1.00 5.10 C ATOM 156 O VAL A 9 7.220 -1.547 -18.916 1.00 32.42 O ATOM 157 CB VAL A 9 9.821 -1.580 -16.871 1.00 23.51 C ATOM 158 CG1 VAL A 9 10.239 -0.855 -18.141 1.00 3.45 C ATOM 159 CG2 VAL A 9 10.408 -0.903 -15.642 1.00 25.32 C ATOM 0 H VAL A 9 8.623 -2.893 -15.113 1.00 53.23 H new ATOM 0 HA VAL A 9 7.892 -0.639 -16.647 1.00 60.31 H new ATOM 0 HB VAL A 9 10.210 -2.597 -16.918 1.00 23.51 H new ATOM 0 HG11 VAL A 9 11.327 -0.817 -18.197 1.00 3.45 H new ATOM 0 HG12 VAL A 9 9.849 -1.387 -19.009 1.00 3.45 H new ATOM 0 HG13 VAL A 9 9.841 0.160 -18.129 1.00 3.45 H new ATOM 0 HG21 VAL A 9 11.494 -0.863 -15.732 1.00 25.32 H new ATOM 0 HG22 VAL A 9 10.013 0.110 -15.561 1.00 25.32 H new ATOM 0 HG23 VAL A 9 10.138 -1.470 -14.751 1.00 25.32 H new ATOM 169 N ASP A 10 7.824 -3.578 -18.159 1.00 62.13 N ATOM 170 CA ASP A 10 7.327 -4.285 -19.334 1.00 10.10 C ATOM 171 C ASP A 10 7.410 -5.795 -19.135 1.00 63.12 C ATOM 172 O ASP A 10 8.232 -6.481 -19.743 1.00 24.44 O ATOM 173 CB ASP A 10 8.122 -3.877 -20.575 1.00 53.24 C ATOM 174 CG ASP A 10 7.311 -4.006 -21.850 1.00 0.40 C ATOM 175 OD1 ASP A 10 6.287 -4.721 -21.833 1.00 1.33 O ATOM 176 OD2 ASP A 10 7.700 -3.390 -22.865 1.00 31.54 O ATOM 0 H ASP A 10 8.242 -4.180 -17.450 1.00 62.13 H new ATOM 0 HA ASP A 10 6.281 -4.012 -19.476 1.00 10.10 H new ATOM 0 HB2 ASP A 10 8.459 -2.846 -20.465 1.00 53.24 H new ATOM 0 HB3 ASP A 10 9.015 -4.498 -20.651 1.00 53.24 H new ATOM 181 N PRO A 11 6.540 -6.326 -18.264 1.00 22.44 N ATOM 182 CA PRO A 11 6.496 -7.761 -17.964 1.00 11.30 C ATOM 183 C PRO A 11 5.973 -8.582 -19.137 1.00 74.13 C ATOM 184 O PRO A 11 6.383 -9.725 -19.339 1.00 52.42 O ATOM 185 CB PRO A 11 5.531 -7.846 -16.779 1.00 12.11 C ATOM 186 CG PRO A 11 4.663 -6.642 -16.909 1.00 45.34 C ATOM 187 CD PRO A 11 5.532 -5.568 -17.504 1.00 3.03 C ATOM 0 HA PRO A 11 7.487 -8.164 -17.754 1.00 11.30 H new ATOM 0 HB2 PRO A 11 4.943 -8.763 -16.812 1.00 12.11 H new ATOM 0 HB3 PRO A 11 6.068 -7.846 -15.830 1.00 12.11 H new ATOM 0 HG2 PRO A 11 3.804 -6.847 -17.548 1.00 45.34 H new ATOM 0 HG3 PRO A 11 4.273 -6.335 -15.939 1.00 45.34 H new ATOM 0 HD2 PRO A 11 4.961 -4.901 -18.149 1.00 3.03 H new ATOM 0 HD3 PRO A 11 5.991 -4.950 -16.733 1.00 3.03 H new ATOM 195 N ALA A 12 5.065 -7.992 -19.908 1.00 72.33 N ATOM 196 CA ALA A 12 4.488 -8.669 -21.063 1.00 74.11 C ATOM 197 C ALA A 12 5.558 -8.998 -22.098 1.00 52.34 C ATOM 198 O ALA A 12 5.593 -10.103 -22.639 1.00 63.23 O ATOM 199 CB ALA A 12 3.394 -7.813 -21.685 1.00 4.43 C ATOM 0 H ALA A 12 4.713 -7.047 -19.754 1.00 72.33 H new ATOM 0 HA ALA A 12 4.050 -9.607 -20.722 1.00 74.11 H new ATOM 0 HB1 ALA A 12 2.972 -8.331 -22.546 1.00 4.43 H new ATOM 0 HB2 ALA A 12 2.610 -7.634 -20.949 1.00 4.43 H new ATOM 0 HB3 ALA A 12 3.815 -6.860 -22.005 1.00 4.43 H new ATOM 205 N TYR A 13 6.428 -8.031 -22.370 1.00 73.42 N ATOM 206 CA TYR A 13 7.497 -8.217 -23.344 1.00 23.44 C ATOM 207 C TYR A 13 8.288 -9.489 -23.048 1.00 54.53 C ATOM 208 O TYR A 13 8.290 -10.429 -23.842 1.00 42.42 O ATOM 209 CB TYR A 13 8.434 -7.008 -23.340 1.00 64.51 C ATOM 210 CG TYR A 13 9.109 -6.762 -24.670 1.00 44.34 C ATOM 211 CD1 TYR A 13 9.899 -7.740 -25.263 1.00 4.45 C ATOM 212 CD2 TYR A 13 8.958 -5.551 -25.335 1.00 1.13 C ATOM 213 CE1 TYR A 13 10.519 -7.519 -26.478 1.00 13.55 C ATOM 214 CE2 TYR A 13 9.572 -5.322 -26.551 1.00 4.34 C ATOM 215 CZ TYR A 13 10.352 -6.308 -27.118 1.00 33.32 C ATOM 216 OH TYR A 13 10.966 -6.083 -28.328 1.00 65.32 O ATOM 0 H TYR A 13 6.414 -7.111 -21.930 1.00 73.42 H new ATOM 0 HA TYR A 13 7.043 -8.314 -24.330 1.00 23.44 H new ATOM 0 HB2 TYR A 13 7.867 -6.120 -23.060 1.00 64.51 H new ATOM 0 HB3 TYR A 13 9.197 -7.153 -22.576 1.00 64.51 H new ATOM 0 HD1 TYR A 13 10.031 -8.689 -24.765 1.00 4.45 H new ATOM 0 HD2 TYR A 13 8.350 -4.775 -24.893 1.00 1.13 H new ATOM 0 HE1 TYR A 13 11.131 -8.289 -26.924 1.00 13.55 H new ATOM 0 HE2 TYR A 13 9.442 -4.376 -27.055 1.00 4.34 H new ATOM 0 HH TYR A 13 10.746 -5.182 -28.644 1.00 65.32 H new ATOM 226 N GLU A 14 8.957 -9.508 -21.900 1.00 33.22 N ATOM 227 CA GLU A 14 9.751 -10.663 -21.499 1.00 62.40 C ATOM 228 C GLU A 14 8.884 -11.916 -21.412 1.00 22.15 C ATOM 229 O GLU A 14 9.347 -13.025 -21.680 1.00 50.11 O ATOM 230 CB GLU A 14 10.427 -10.403 -20.151 1.00 43.44 C ATOM 231 CG GLU A 14 9.456 -10.345 -18.984 1.00 62.42 C ATOM 232 CD GLU A 14 10.155 -10.150 -17.653 1.00 2.42 C ATOM 233 OE1 GLU A 14 10.385 -8.983 -17.270 1.00 73.10 O ATOM 234 OE2 GLU A 14 10.473 -11.162 -16.994 1.00 52.32 O ATOM 0 H GLU A 14 8.965 -8.737 -21.232 1.00 33.22 H new ATOM 0 HA GLU A 14 10.518 -10.824 -22.257 1.00 62.40 H new ATOM 0 HB2 GLU A 14 11.160 -11.188 -19.964 1.00 43.44 H new ATOM 0 HB3 GLU A 14 10.975 -9.462 -20.204 1.00 43.44 H new ATOM 0 HG2 GLU A 14 8.751 -9.529 -19.143 1.00 62.42 H new ATOM 0 HG3 GLU A 14 8.875 -11.267 -18.953 1.00 62.42 H new ATOM 241 N PHE A 15 7.624 -11.731 -21.033 1.00 52.12 N ATOM 242 CA PHE A 15 6.692 -12.845 -20.908 1.00 75.23 C ATOM 243 C PHE A 15 6.449 -13.506 -22.262 1.00 53.42 C ATOM 244 O PHE A 15 6.282 -14.722 -22.350 1.00 70.50 O ATOM 245 CB PHE A 15 5.365 -12.364 -20.318 1.00 14.13 C ATOM 246 CG PHE A 15 4.386 -13.474 -20.059 1.00 0.52 C ATOM 247 CD1 PHE A 15 3.501 -13.878 -21.045 1.00 35.24 C ATOM 248 CD2 PHE A 15 4.351 -14.112 -18.829 1.00 44.34 C ATOM 249 CE1 PHE A 15 2.599 -14.899 -20.810 1.00 30.31 C ATOM 250 CE2 PHE A 15 3.452 -15.134 -18.589 1.00 44.50 C ATOM 251 CZ PHE A 15 2.574 -15.527 -19.580 1.00 23.00 C ATOM 0 H PHE A 15 7.225 -10.820 -20.807 1.00 52.12 H new ATOM 0 HA PHE A 15 7.134 -13.582 -20.238 1.00 75.23 H new ATOM 0 HB2 PHE A 15 5.561 -11.838 -19.384 1.00 14.13 H new ATOM 0 HB3 PHE A 15 4.913 -11.644 -21.000 1.00 14.13 H new ATOM 0 HD1 PHE A 15 3.516 -13.390 -22.008 1.00 35.24 H new ATOM 0 HD2 PHE A 15 5.034 -13.807 -18.050 1.00 44.34 H new ATOM 0 HE1 PHE A 15 1.915 -15.205 -21.587 1.00 30.31 H new ATOM 0 HE2 PHE A 15 3.436 -15.625 -17.627 1.00 44.50 H new ATOM 0 HZ PHE A 15 1.869 -16.324 -19.394 1.00 23.00 H new ATOM 261 N ILE A 16 6.430 -12.694 -23.314 1.00 73.44 N ATOM 262 CA ILE A 16 6.208 -13.199 -24.664 1.00 30.33 C ATOM 263 C ILE A 16 7.420 -13.977 -25.166 1.00 33.13 C ATOM 264 O ILE A 16 7.281 -15.005 -25.829 1.00 33.34 O ATOM 265 CB ILE A 16 5.901 -12.056 -25.649 1.00 65.22 C ATOM 266 CG1 ILE A 16 4.664 -11.280 -25.195 1.00 10.34 C ATOM 267 CG2 ILE A 16 5.702 -12.607 -27.053 1.00 52.24 C ATOM 268 CD1 ILE A 16 4.778 -9.786 -25.402 1.00 42.30 C ATOM 0 H ILE A 16 6.565 -11.685 -23.258 1.00 73.44 H new ATOM 0 HA ILE A 16 5.347 -13.865 -24.614 1.00 30.33 H new ATOM 0 HB ILE A 16 6.749 -11.372 -25.665 1.00 65.22 H new ATOM 0 HG12 ILE A 16 3.794 -11.649 -25.739 1.00 10.34 H new ATOM 0 HG13 ILE A 16 4.487 -11.480 -24.138 1.00 10.34 H new ATOM 0 HG21 ILE A 16 5.486 -11.787 -27.738 1.00 52.24 H new ATOM 0 HG22 ILE A 16 6.609 -13.119 -27.375 1.00 52.24 H new ATOM 0 HG23 ILE A 16 4.869 -13.310 -27.053 1.00 52.24 H new ATOM 0 HD11 ILE A 16 3.865 -9.300 -25.058 1.00 42.30 H new ATOM 0 HD12 ILE A 16 5.628 -9.404 -24.836 1.00 42.30 H new ATOM 0 HD13 ILE A 16 4.924 -9.576 -26.462 1.00 42.30 H new ATOM 280 N LYS A 17 8.609 -13.481 -24.844 1.00 4.42 N ATOM 281 CA LYS A 17 9.847 -14.129 -25.259 1.00 25.44 C ATOM 282 C LYS A 17 10.126 -15.364 -24.408 1.00 20.52 C ATOM 283 O LYS A 17 10.125 -16.488 -24.909 1.00 24.13 O ATOM 284 CB LYS A 17 11.020 -13.151 -25.155 1.00 54.12 C ATOM 285 CG LYS A 17 10.670 -11.736 -25.583 1.00 65.15 C ATOM 286 CD LYS A 17 11.895 -10.985 -26.079 1.00 70.42 C ATOM 287 CE LYS A 17 11.982 -11.003 -27.598 1.00 4.44 C ATOM 288 NZ LYS A 17 12.897 -12.070 -28.088 1.00 63.25 N ATOM 0 H LYS A 17 8.742 -12.631 -24.296 1.00 4.42 H new ATOM 0 HA LYS A 17 9.733 -14.441 -26.297 1.00 25.44 H new ATOM 0 HB2 LYS A 17 11.377 -13.133 -24.125 1.00 54.12 H new ATOM 0 HB3 LYS A 17 11.842 -13.515 -25.771 1.00 54.12 H new ATOM 0 HG2 LYS A 17 9.918 -11.769 -26.371 1.00 65.15 H new ATOM 0 HG3 LYS A 17 10.228 -11.199 -24.743 1.00 65.15 H new ATOM 0 HD2 LYS A 17 11.858 -9.954 -25.728 1.00 70.42 H new ATOM 0 HD3 LYS A 17 12.794 -11.434 -25.657 1.00 70.42 H new ATOM 0 HE2 LYS A 17 10.988 -11.157 -28.017 1.00 4.44 H new ATOM 0 HE3 LYS A 17 12.331 -10.034 -27.953 1.00 4.44 H new ATOM 0 HZ1 LYS A 17 12.929 -12.050 -29.127 1.00 63.25 H new ATOM 0 HZ2 LYS A 17 13.852 -11.909 -27.709 1.00 63.25 H new ATOM 0 HZ3 LYS A 17 12.550 -12.998 -27.771 1.00 63.25 H new ATOM 302 N GLY A 18 10.363 -15.148 -23.117 1.00 54.24 N ATOM 303 CA GLY A 18 10.638 -16.253 -22.218 1.00 12.00 C ATOM 304 C GLY A 18 12.080 -16.277 -21.754 1.00 25.15 C ATOM 305 O GLY A 18 12.404 -16.900 -20.742 1.00 3.41 O ATOM 0 H GLY A 18 10.369 -14.227 -22.678 1.00 54.24 H new ATOM 0 HA2 GLY A 18 9.982 -16.184 -21.351 1.00 12.00 H new ATOM 0 HA3 GLY A 18 10.405 -17.192 -22.720 1.00 12.00 H new ATOM 309 N PHE A 19 12.950 -15.599 -22.495 1.00 25.12 N ATOM 310 CA PHE A 19 14.368 -15.547 -22.155 1.00 34.42 C ATOM 311 C PHE A 19 14.613 -14.594 -20.989 1.00 53.10 C ATOM 312 O PHE A 19 14.196 -13.437 -21.021 1.00 35.04 O ATOM 313 CB PHE A 19 15.189 -15.109 -23.369 1.00 3.43 C ATOM 314 CG PHE A 19 15.592 -16.246 -24.263 1.00 71.20 C ATOM 315 CD1 PHE A 19 16.347 -17.298 -23.770 1.00 62.24 C ATOM 316 CD2 PHE A 19 15.215 -16.264 -25.596 1.00 55.10 C ATOM 317 CE1 PHE A 19 16.720 -18.346 -24.591 1.00 54.35 C ATOM 318 CE2 PHE A 19 15.584 -17.309 -26.422 1.00 34.11 C ATOM 319 CZ PHE A 19 16.336 -18.352 -25.918 1.00 43.25 C ATOM 0 H PHE A 19 12.698 -15.078 -23.335 1.00 25.12 H new ATOM 0 HA PHE A 19 14.682 -16.547 -21.855 1.00 34.42 H new ATOM 0 HB2 PHE A 19 14.610 -14.390 -23.948 1.00 3.43 H new ATOM 0 HB3 PHE A 19 16.085 -14.593 -23.024 1.00 3.43 H new ATOM 0 HD1 PHE A 19 16.648 -17.299 -22.733 1.00 62.24 H new ATOM 0 HD2 PHE A 19 14.626 -15.452 -25.995 1.00 55.10 H new ATOM 0 HE1 PHE A 19 17.311 -19.159 -24.195 1.00 54.35 H new ATOM 0 HE2 PHE A 19 15.285 -17.310 -27.460 1.00 34.11 H new ATOM 0 HZ PHE A 19 16.623 -19.171 -26.560 1.00 43.25 H new ATOM 329 N GLY A 20 15.293 -15.090 -19.960 1.00 12.35 N ATOM 330 CA GLY A 20 15.582 -14.270 -18.797 1.00 54.04 C ATOM 331 C GLY A 20 17.019 -14.405 -18.335 1.00 51.03 C ATOM 332 O GLY A 20 17.280 -14.826 -17.208 1.00 60.11 O ATOM 0 H GLY A 20 15.649 -16.045 -19.911 1.00 12.35 H new ATOM 0 HA2 GLY A 20 15.376 -13.226 -19.032 1.00 54.04 H new ATOM 0 HA3 GLY A 20 14.914 -14.551 -17.983 1.00 54.04 H new ATOM 336 N LYS A 21 17.955 -14.049 -19.208 1.00 42.50 N ATOM 337 CA LYS A 21 19.375 -14.132 -18.885 1.00 14.11 C ATOM 338 C LYS A 21 20.202 -13.283 -19.845 1.00 11.23 C ATOM 339 O LYS A 21 21.168 -12.636 -19.442 1.00 30.32 O ATOM 340 CB LYS A 21 19.846 -15.587 -18.938 1.00 42.21 C ATOM 341 CG LYS A 21 19.402 -16.325 -20.189 1.00 40.22 C ATOM 342 CD LYS A 21 20.426 -16.199 -21.304 1.00 44.33 C ATOM 343 CE LYS A 21 20.723 -17.546 -21.944 1.00 73.51 C ATOM 344 NZ LYS A 21 19.860 -17.798 -23.131 1.00 71.44 N ATOM 0 H LYS A 21 17.756 -13.700 -20.146 1.00 42.50 H new ATOM 0 HA LYS A 21 19.516 -13.747 -17.875 1.00 14.11 H new ATOM 0 HB2 LYS A 21 20.934 -15.610 -18.880 1.00 42.21 H new ATOM 0 HB3 LYS A 21 19.469 -16.114 -18.062 1.00 42.21 H new ATOM 0 HG2 LYS A 21 19.245 -17.378 -19.955 1.00 40.22 H new ATOM 0 HG3 LYS A 21 18.445 -15.928 -20.526 1.00 40.22 H new ATOM 0 HD2 LYS A 21 20.057 -15.509 -22.062 1.00 44.33 H new ATOM 0 HD3 LYS A 21 21.347 -15.773 -20.907 1.00 44.33 H new ATOM 0 HE2 LYS A 21 21.771 -17.583 -22.242 1.00 73.51 H new ATOM 0 HE3 LYS A 21 20.572 -18.338 -21.210 1.00 73.51 H new ATOM 0 HZ1 LYS A 21 19.891 -18.809 -23.375 1.00 71.44 H new ATOM 0 HZ2 LYS A 21 18.881 -17.525 -22.912 1.00 71.44 H new ATOM 0 HZ3 LYS A 21 20.205 -17.237 -23.936 1.00 71.44 H new ATOM 358 N GLY A 22 19.815 -13.288 -21.117 1.00 30.32 N ATOM 359 CA GLY A 22 20.531 -12.514 -22.113 1.00 42.24 C ATOM 360 C GLY A 22 19.603 -11.695 -22.988 1.00 51.31 C ATOM 361 O GLY A 22 19.857 -10.518 -23.243 1.00 11.24 O ATOM 0 H GLY A 22 19.018 -13.815 -21.475 1.00 30.32 H new ATOM 0 HA2 GLY A 22 21.236 -11.849 -21.614 1.00 42.24 H new ATOM 0 HA3 GLY A 22 21.116 -13.187 -22.740 1.00 42.24 H new ATOM 365 N ALA A 23 18.525 -12.319 -23.451 1.00 53.20 N ATOM 366 CA ALA A 23 17.556 -11.640 -24.302 1.00 54.21 C ATOM 367 C ALA A 23 16.849 -10.520 -23.545 1.00 64.20 C ATOM 368 O ALA A 23 16.532 -9.477 -24.116 1.00 55.41 O ATOM 369 CB ALA A 23 16.540 -12.635 -24.844 1.00 23.21 C ATOM 0 H ALA A 23 18.301 -13.294 -23.251 1.00 53.20 H new ATOM 0 HA ALA A 23 18.095 -11.195 -25.138 1.00 54.21 H new ATOM 0 HB1 ALA A 23 15.823 -12.114 -25.478 1.00 23.21 H new ATOM 0 HB2 ALA A 23 17.054 -13.398 -25.429 1.00 23.21 H new ATOM 0 HB3 ALA A 23 16.015 -13.107 -24.014 1.00 23.21 H new ATOM 375 N ILE A 24 16.607 -10.744 -22.258 1.00 75.20 N ATOM 376 CA ILE A 24 15.938 -9.753 -21.424 1.00 22.44 C ATOM 377 C ILE A 24 16.909 -8.666 -20.977 1.00 42.20 C ATOM 378 O ILE A 24 16.523 -7.512 -20.788 1.00 32.10 O ATOM 379 CB ILE A 24 15.303 -10.402 -20.179 1.00 43.41 C ATOM 380 CG1 ILE A 24 14.334 -9.427 -19.508 1.00 54.30 C ATOM 381 CG2 ILE A 24 16.383 -10.840 -19.201 1.00 61.43 C ATOM 382 CD1 ILE A 24 13.583 -10.029 -18.341 1.00 12.41 C ATOM 0 H ILE A 24 16.864 -11.602 -21.770 1.00 75.20 H new ATOM 0 HA ILE A 24 15.152 -9.307 -22.033 1.00 22.44 H new ATOM 0 HB ILE A 24 14.744 -11.284 -20.492 1.00 43.41 H new ATOM 0 HG12 ILE A 24 14.890 -8.556 -19.161 1.00 54.30 H new ATOM 0 HG13 ILE A 24 13.616 -9.074 -20.248 1.00 54.30 H new ATOM 0 HG21 ILE A 24 15.919 -11.297 -18.327 1.00 61.43 H new ATOM 0 HG22 ILE A 24 17.039 -11.565 -19.684 1.00 61.43 H new ATOM 0 HG23 ILE A 24 16.966 -9.973 -18.891 1.00 61.43 H new ATOM 0 HD11 ILE A 24 12.915 -9.281 -17.914 1.00 12.41 H new ATOM 0 HD12 ILE A 24 13.000 -10.883 -18.685 1.00 12.41 H new ATOM 0 HD13 ILE A 24 14.293 -10.357 -17.582 1.00 12.41 H new ATOM 394 N LYS A 25 18.173 -9.040 -20.811 1.00 62.45 N ATOM 395 CA LYS A 25 19.202 -8.097 -20.390 1.00 63.43 C ATOM 396 C LYS A 25 19.585 -7.163 -21.534 1.00 23.32 C ATOM 397 O LYS A 25 19.632 -5.946 -21.363 1.00 10.33 O ATOM 398 CB LYS A 25 20.440 -8.849 -19.895 1.00 61.03 C ATOM 399 CG LYS A 25 20.505 -8.986 -18.384 1.00 12.30 C ATOM 400 CD LYS A 25 21.305 -7.857 -17.756 1.00 13.23 C ATOM 401 CE LYS A 25 20.676 -6.502 -18.043 1.00 4.34 C ATOM 402 NZ LYS A 25 21.448 -5.390 -17.422 1.00 4.23 N ATOM 0 H LYS A 25 18.510 -9.991 -20.962 1.00 62.45 H new ATOM 0 HA LYS A 25 18.798 -7.497 -19.574 1.00 63.43 H new ATOM 0 HB2 LYS A 25 20.454 -9.843 -20.342 1.00 61.03 H new ATOM 0 HB3 LYS A 25 21.333 -8.330 -20.243 1.00 61.03 H new ATOM 0 HG2 LYS A 25 19.495 -8.989 -17.974 1.00 12.30 H new ATOM 0 HG3 LYS A 25 20.958 -9.943 -18.124 1.00 12.30 H new ATOM 0 HD2 LYS A 25 21.368 -8.009 -16.679 1.00 13.23 H new ATOM 0 HD3 LYS A 25 22.325 -7.875 -18.140 1.00 13.23 H new ATOM 0 HE2 LYS A 25 20.621 -6.348 -19.121 1.00 4.34 H new ATOM 0 HE3 LYS A 25 19.653 -6.489 -17.666 1.00 4.34 H new ATOM 0 HZ1 LYS A 25 20.988 -4.483 -17.640 1.00 4.23 H new ATOM 0 HZ2 LYS A 25 21.480 -5.523 -16.391 1.00 4.23 H new ATOM 0 HZ3 LYS A 25 22.417 -5.386 -17.800 1.00 4.23 H new ATOM 416 N GLU A 26 19.857 -7.742 -22.699 1.00 71.32 N ATOM 417 CA GLU A 26 20.235 -6.960 -23.870 1.00 51.13 C ATOM 418 C GLU A 26 19.025 -6.237 -24.456 1.00 31.53 C ATOM 419 O GLU A 26 19.156 -5.421 -25.367 1.00 24.33 O ATOM 420 CB GLU A 26 20.867 -7.863 -24.932 1.00 55.41 C ATOM 421 CG GLU A 26 19.852 -8.654 -25.740 1.00 52.55 C ATOM 422 CD GLU A 26 19.529 -8.000 -27.070 1.00 72.54 C ATOM 423 OE1 GLU A 26 20.454 -7.839 -27.893 1.00 41.00 O ATOM 424 OE2 GLU A 26 18.350 -7.651 -27.288 1.00 74.21 O ATOM 0 H GLU A 26 19.823 -8.749 -22.857 1.00 71.32 H new ATOM 0 HA GLU A 26 20.965 -6.214 -23.556 1.00 51.13 H new ATOM 0 HB2 GLU A 26 21.461 -7.251 -25.610 1.00 55.41 H new ATOM 0 HB3 GLU A 26 21.552 -8.557 -24.446 1.00 55.41 H new ATOM 0 HG2 GLU A 26 20.237 -9.658 -25.917 1.00 52.55 H new ATOM 0 HG3 GLU A 26 18.935 -8.762 -25.160 1.00 52.55 H new ATOM 431 N GLY A 27 17.845 -6.545 -23.925 1.00 22.21 N ATOM 432 CA GLY A 27 16.629 -5.918 -24.407 1.00 14.22 C ATOM 433 C GLY A 27 16.296 -4.645 -23.655 1.00 14.43 C ATOM 434 O GLY A 27 15.999 -3.617 -24.262 1.00 42.41 O ATOM 0 H GLY A 27 17.710 -7.217 -23.170 1.00 22.21 H new ATOM 0 HA2 GLY A 27 16.736 -5.692 -25.468 1.00 14.22 H new ATOM 0 HA3 GLY A 27 15.800 -6.620 -24.313 1.00 14.22 H new ATOM 438 N ASN A 28 16.343 -4.713 -22.328 1.00 71.12 N ATOM 439 CA ASN A 28 16.041 -3.557 -21.492 1.00 4.10 C ATOM 440 C ASN A 28 17.195 -2.558 -21.508 1.00 73.33 C ATOM 441 O ASN A 28 16.982 -1.346 -21.478 1.00 53.01 O ATOM 442 CB ASN A 28 15.756 -4.001 -20.056 1.00 5.43 C ATOM 443 CG ASN A 28 17.026 -4.241 -19.262 1.00 63.43 C ATOM 444 OD1 ASN A 28 17.683 -5.366 -19.523 1.00 3.30 O flip ATOM 445 ND2 ASN A 28 17.412 -3.426 -18.425 1.00 55.03 N flip ATOM 0 H ASN A 28 16.587 -5.556 -21.809 1.00 71.12 H new ATOM 0 HA ASN A 28 15.155 -3.068 -21.897 1.00 4.10 H new ATOM 0 HB2 ASN A 28 15.156 -3.241 -19.556 1.00 5.43 H new ATOM 0 HB3 ASN A 28 15.163 -4.915 -20.072 1.00 5.43 H new ATOM 0 HD21 ASN A 28 16.876 -2.575 -18.257 1.00 55.03 H new ATOM 0 HD22 ASN A 28 18.268 -3.602 -17.899 1.00 55.03 H new ATOM 452 N LYS A 29 18.418 -3.076 -21.557 1.00 15.22 N ATOM 453 CA LYS A 29 19.606 -2.231 -21.579 1.00 71.32 C ATOM 454 C LYS A 29 19.826 -1.638 -22.967 1.00 72.22 C ATOM 455 O LYS A 29 20.528 -0.639 -23.121 1.00 64.05 O ATOM 456 CB LYS A 29 20.837 -3.036 -21.156 1.00 72.21 C ATOM 457 CG LYS A 29 21.420 -3.886 -22.271 1.00 63.52 C ATOM 458 CD LYS A 29 22.335 -4.970 -21.726 1.00 4.03 C ATOM 459 CE LYS A 29 23.633 -4.385 -21.188 1.00 73.44 C ATOM 460 NZ LYS A 29 24.615 -4.122 -22.276 1.00 71.03 N ATOM 0 H LYS A 29 18.612 -4.077 -21.582 1.00 15.22 H new ATOM 0 HA LYS A 29 19.454 -1.414 -20.874 1.00 71.32 H new ATOM 0 HB2 LYS A 29 21.603 -2.350 -20.795 1.00 72.21 H new ATOM 0 HB3 LYS A 29 20.569 -3.682 -20.320 1.00 72.21 H new ATOM 0 HG2 LYS A 29 20.612 -4.344 -22.841 1.00 63.52 H new ATOM 0 HG3 LYS A 29 21.977 -3.251 -22.960 1.00 63.52 H new ATOM 0 HD2 LYS A 29 21.823 -5.514 -20.932 1.00 4.03 H new ATOM 0 HD3 LYS A 29 22.558 -5.690 -22.514 1.00 4.03 H new ATOM 0 HE2 LYS A 29 23.421 -3.457 -20.658 1.00 73.44 H new ATOM 0 HE3 LYS A 29 24.069 -5.073 -20.464 1.00 73.44 H new ATOM 0 HZ1 LYS A 29 25.486 -3.724 -21.869 1.00 71.03 H new ATOM 0 HZ2 LYS A 29 24.837 -5.012 -22.766 1.00 71.03 H new ATOM 0 HZ3 LYS A 29 24.209 -3.446 -22.954 1.00 71.03 H new ATOM 474 N ASP A 30 19.220 -2.259 -23.973 1.00 41.14 N ATOM 475 CA ASP A 30 19.348 -1.791 -25.349 1.00 12.44 C ATOM 476 C ASP A 30 18.895 -0.339 -25.473 1.00 31.23 C ATOM 477 O ASP A 30 19.368 0.399 -26.337 1.00 71.44 O ATOM 478 CB ASP A 30 18.529 -2.676 -26.289 1.00 53.44 C ATOM 479 CG ASP A 30 19.385 -3.345 -27.346 1.00 70.22 C ATOM 480 OD1 ASP A 30 20.411 -2.753 -27.741 1.00 55.42 O ATOM 481 OD2 ASP A 30 19.029 -4.462 -27.779 1.00 40.50 O ATOM 0 H ASP A 30 18.635 -3.087 -23.862 1.00 41.14 H new ATOM 0 HA ASP A 30 20.399 -1.850 -25.631 1.00 12.44 H new ATOM 0 HB2 ASP A 30 18.013 -3.439 -25.707 1.00 53.44 H new ATOM 0 HB3 ASP A 30 17.762 -2.073 -26.775 1.00 53.44 H new ATOM 486 N LYS A 31 17.975 0.064 -24.603 1.00 54.43 N ATOM 487 CA LYS A 31 17.457 1.427 -24.614 1.00 52.42 C ATOM 488 C LYS A 31 18.377 2.365 -23.839 1.00 52.21 C ATOM 489 O LYS A 31 18.536 3.531 -24.200 1.00 12.44 O ATOM 490 CB LYS A 31 16.050 1.465 -24.014 1.00 14.02 C ATOM 491 CG LYS A 31 15.105 0.437 -24.613 1.00 1.42 C ATOM 492 CD LYS A 31 14.815 0.732 -26.075 1.00 64.21 C ATOM 493 CE LYS A 31 13.438 0.231 -26.482 1.00 63.43 C ATOM 494 NZ LYS A 31 12.393 1.277 -26.309 1.00 3.25 N ATOM 0 H LYS A 31 17.573 -0.534 -23.881 1.00 54.43 H new ATOM 0 HA LYS A 31 17.413 1.764 -25.650 1.00 52.42 H new ATOM 0 HB2 LYS A 31 16.118 1.300 -22.939 1.00 14.02 H new ATOM 0 HB3 LYS A 31 15.629 2.460 -24.158 1.00 14.02 H new ATOM 0 HG2 LYS A 31 15.542 -0.557 -24.521 1.00 1.42 H new ATOM 0 HG3 LYS A 31 14.171 0.428 -24.050 1.00 1.42 H new ATOM 0 HD2 LYS A 31 14.879 1.806 -26.250 1.00 64.21 H new ATOM 0 HD3 LYS A 31 15.574 0.261 -26.700 1.00 64.21 H new ATOM 0 HE2 LYS A 31 13.462 -0.090 -27.523 1.00 63.43 H new ATOM 0 HE3 LYS A 31 13.179 -0.643 -25.885 1.00 63.43 H new ATOM 0 HZ1 LYS A 31 11.469 0.896 -26.597 1.00 3.25 H new ATOM 0 HZ2 LYS A 31 12.352 1.565 -25.311 1.00 3.25 H new ATOM 0 HZ3 LYS A 31 12.626 2.102 -26.898 1.00 3.25 H new ATOM 508 N TRP A 32 18.981 1.848 -22.775 1.00 54.13 N ATOM 509 CA TRP A 32 19.886 2.640 -21.951 1.00 23.14 C ATOM 510 C TRP A 32 20.949 3.320 -22.807 1.00 74.23 C ATOM 511 O TRP A 32 21.432 4.402 -22.473 1.00 34.22 O ATOM 512 CB TRP A 32 20.553 1.756 -20.896 1.00 22.52 C ATOM 513 CG TRP A 32 19.652 1.421 -19.746 1.00 24.53 C ATOM 514 CD1 TRP A 32 18.387 0.912 -19.817 1.00 60.30 C ATOM 515 CD2 TRP A 32 19.948 1.573 -18.353 1.00 71.21 C ATOM 516 NE1 TRP A 32 17.878 0.738 -18.552 1.00 41.55 N ATOM 517 CE2 TRP A 32 18.816 1.136 -17.637 1.00 23.30 C ATOM 518 CE3 TRP A 32 21.059 2.034 -17.641 1.00 73.54 C ATOM 519 CZ2 TRP A 32 18.766 1.148 -16.246 1.00 11.24 C ATOM 520 CZ3 TRP A 32 21.007 2.046 -16.261 1.00 31.44 C ATOM 521 CH2 TRP A 32 19.868 1.605 -15.574 1.00 75.44 C ATOM 0 H TRP A 32 18.860 0.884 -22.463 1.00 54.13 H new ATOM 0 HA TRP A 32 19.300 3.412 -21.452 1.00 23.14 H new ATOM 0 HB2 TRP A 32 20.889 0.832 -21.366 1.00 22.52 H new ATOM 0 HB3 TRP A 32 21.441 2.262 -20.517 1.00 22.52 H new ATOM 0 HD1 TRP A 32 17.863 0.680 -20.733 1.00 60.30 H new ATOM 0 HE1 TRP A 32 16.952 0.372 -18.331 1.00 41.55 H new ATOM 0 HE3 TRP A 32 21.942 2.375 -18.161 1.00 73.54 H new ATOM 0 HZ2 TRP A 32 17.889 0.809 -15.715 1.00 11.24 H new ATOM 0 HZ3 TRP A 32 21.859 2.402 -15.701 1.00 31.44 H new ATOM 0 HH2 TRP A 32 19.859 1.626 -14.494 1.00 75.44 H new ATOM 532 N LYS A 33 21.309 2.679 -23.914 1.00 51.22 N ATOM 533 CA LYS A 33 22.313 3.223 -24.821 1.00 25.44 C ATOM 534 C LYS A 33 21.905 4.605 -25.320 1.00 2.04 C ATOM 535 O LYS A 33 22.752 5.468 -25.547 1.00 71.11 O ATOM 536 CB LYS A 33 22.521 2.281 -26.009 1.00 30.42 C ATOM 537 CG LYS A 33 23.671 2.687 -26.913 1.00 65.14 C ATOM 538 CD LYS A 33 23.201 3.588 -28.043 1.00 4.01 C ATOM 539 CE LYS A 33 23.899 3.251 -29.352 1.00 2.33 C ATOM 540 NZ LYS A 33 23.010 2.494 -30.275 1.00 61.24 N ATOM 0 H LYS A 33 20.920 1.782 -24.205 1.00 51.22 H new ATOM 0 HA LYS A 33 23.249 3.317 -24.271 1.00 25.44 H new ATOM 0 HB2 LYS A 33 22.702 1.273 -25.635 1.00 30.42 H new ATOM 0 HB3 LYS A 33 21.604 2.243 -26.597 1.00 30.42 H new ATOM 0 HG2 LYS A 33 24.431 3.204 -26.327 1.00 65.14 H new ATOM 0 HG3 LYS A 33 24.141 1.795 -27.329 1.00 65.14 H new ATOM 0 HD2 LYS A 33 22.123 3.485 -28.167 1.00 4.01 H new ATOM 0 HD3 LYS A 33 23.394 4.629 -27.784 1.00 4.01 H new ATOM 0 HE2 LYS A 33 24.227 4.171 -29.836 1.00 2.33 H new ATOM 0 HE3 LYS A 33 24.794 2.663 -29.146 1.00 2.33 H new ATOM 0 HZ1 LYS A 33 23.522 2.283 -31.155 1.00 61.24 H new ATOM 0 HZ2 LYS A 33 22.718 1.604 -29.823 1.00 61.24 H new ATOM 0 HZ3 LYS A 33 22.168 3.065 -30.492 1.00 61.24 H new ATOM 554 N ASN A 34 20.602 4.808 -25.486 1.00 43.12 N ATOM 555 CA ASN A 34 20.082 6.087 -25.957 1.00 61.53 C ATOM 556 C ASN A 34 20.045 7.109 -24.826 1.00 1.14 C ATOM 557 O ASN A 34 18.977 7.587 -24.442 1.00 20.20 O ATOM 558 CB ASN A 34 18.680 5.906 -26.542 1.00 70.24 C ATOM 559 CG ASN A 34 18.686 5.075 -27.811 1.00 35.42 C ATOM 560 OD1 ASN A 34 19.732 4.865 -28.425 1.00 0.45 O ATOM 561 ND2 ASN A 34 17.513 4.596 -28.210 1.00 13.34 N ATOM 0 H ASN A 34 19.887 4.104 -25.302 1.00 43.12 H new ATOM 0 HA ASN A 34 20.749 6.458 -26.736 1.00 61.53 H new ATOM 0 HB2 ASN A 34 18.039 5.428 -25.801 1.00 70.24 H new ATOM 0 HB3 ASN A 34 18.248 6.884 -26.754 1.00 70.24 H new ATOM 0 HD21 ASN A 34 17.455 4.029 -29.056 1.00 13.34 H new ATOM 0 HD22 ASN A 34 16.671 4.795 -27.670 1.00 13.34 H new ATOM 568 N ILE A 35 21.218 7.440 -24.296 1.00 40.34 N ATOM 569 CA ILE A 35 21.320 8.407 -23.210 1.00 52.13 C ATOM 570 C ILE A 35 21.081 9.826 -23.714 1.00 14.53 C ATOM 571 O ILE A 35 19.976 10.358 -23.603 1.00 11.23 O ATOM 572 CB ILE A 35 22.698 8.342 -22.526 1.00 42.43 C ATOM 573 CG1 ILE A 35 23.025 6.903 -22.125 1.00 24.33 C ATOM 574 CG2 ILE A 35 22.730 9.257 -21.311 1.00 51.32 C ATOM 575 CD1 ILE A 35 24.406 6.741 -21.528 1.00 32.15 C ATOM 0 H ILE A 35 22.111 7.053 -24.601 1.00 40.34 H new ATOM 0 HA ILE A 35 20.550 8.148 -22.483 1.00 52.13 H new ATOM 0 HB ILE A 35 23.455 8.683 -23.233 1.00 42.43 H new ATOM 0 HG12 ILE A 35 22.284 6.558 -21.404 1.00 24.33 H new ATOM 0 HG13 ILE A 35 22.940 6.262 -23.002 1.00 24.33 H new ATOM 0 HG21 ILE A 35 23.711 9.200 -20.838 1.00 51.32 H new ATOM 0 HG22 ILE A 35 22.537 10.283 -21.623 1.00 51.32 H new ATOM 0 HG23 ILE A 35 21.966 8.944 -20.600 1.00 51.32 H new ATOM 0 HD11 ILE A 35 24.569 5.695 -21.267 1.00 32.15 H new ATOM 0 HD12 ILE A 35 25.156 7.055 -22.254 1.00 32.15 H new ATOM 0 HD13 ILE A 35 24.489 7.356 -20.632 1.00 32.15 H new TER 587 ILE A 35