USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 293 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0245) 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+ -175:sc= 0 (180deg=-0.0577) 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= -0.823 X(o=-0.82,f=-0.49) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0108) 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= -0.12 X(o=-0.12,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 8.851 -4.741 -3.734 1.00 62.41 N ATOM 2 CA LYS A 1 8.258 -3.409 -3.719 1.00 23.43 C ATOM 3 C LYS A 1 6.903 -3.409 -4.418 1.00 73.10 C ATOM 4 O LYS A 1 6.826 -3.384 -5.647 1.00 21.34 O ATOM 5 CB LYS A 1 9.193 -2.405 -4.395 1.00 44.45 C ATOM 6 CG LYS A 1 9.617 -1.262 -3.489 1.00 11.10 C ATOM 7 CD LYS A 1 11.039 -0.814 -3.783 1.00 72.24 C ATOM 8 CE LYS A 1 11.530 0.193 -2.755 1.00 41.22 C ATOM 9 NZ LYS A 1 10.735 1.452 -2.788 1.00 42.12 N ATOM 0 H1 LYS A 1 9.773 -4.716 -3.253 1.00 62.41 H new ATOM 0 H2 LYS A 1 8.221 -5.407 -3.242 1.00 62.41 H new ATOM 0 H3 LYS A 1 8.983 -5.051 -4.718 1.00 62.41 H new ATOM 0 HA LYS A 1 8.110 -3.116 -2.680 1.00 23.43 H new ATOM 0 HB2 LYS A 1 10.082 -2.929 -4.745 1.00 44.45 H new ATOM 0 HB3 LYS A 1 8.697 -1.995 -5.275 1.00 44.45 H new ATOM 0 HG2 LYS A 1 8.936 -0.421 -3.620 1.00 11.10 H new ATOM 0 HG3 LYS A 1 9.541 -1.575 -2.448 1.00 11.10 H new ATOM 0 HD2 LYS A 1 11.700 -1.680 -3.790 1.00 72.24 H new ATOM 0 HD3 LYS A 1 11.084 -0.371 -4.778 1.00 72.24 H new ATOM 0 HE2 LYS A 1 11.472 -0.247 -1.759 1.00 41.22 H new ATOM 0 HE3 LYS A 1 12.579 0.421 -2.942 1.00 41.22 H new ATOM 0 HZ1 LYS A 1 11.153 2.144 -2.133 1.00 42.12 H new ATOM 0 HZ2 LYS A 1 10.741 1.841 -3.753 1.00 42.12 H new ATOM 0 HZ3 LYS A 1 9.756 1.252 -2.501 1.00 42.12 H new ATOM 23 N LYS A 2 5.835 -3.436 -3.628 1.00 54.51 N ATOM 24 CA LYS A 2 4.481 -3.435 -4.170 1.00 61.55 C ATOM 25 C LYS A 2 4.285 -4.594 -5.143 1.00 35.23 C ATOM 26 O LYS A 2 4.192 -4.392 -6.353 1.00 43.24 O ATOM 27 CB LYS A 2 4.193 -2.109 -4.877 1.00 13.23 C ATOM 28 CG LYS A 2 2.711 -1.811 -5.030 1.00 2.10 C ATOM 29 CD LYS A 2 2.284 -0.643 -4.157 1.00 11.01 C ATOM 30 CE LYS A 2 2.313 0.668 -4.927 1.00 3.41 C ATOM 31 NZ LYS A 2 3.340 1.604 -4.390 1.00 13.24 N ATOM 0 H LYS A 2 5.881 -3.459 -2.609 1.00 54.51 H new ATOM 0 HA LYS A 2 3.784 -3.556 -3.341 1.00 61.55 H new ATOM 0 HB2 LYS A 2 4.662 -1.299 -4.318 1.00 13.23 H new ATOM 0 HB3 LYS A 2 4.656 -2.125 -5.864 1.00 13.23 H new ATOM 0 HG2 LYS A 2 2.490 -1.586 -6.073 1.00 2.10 H new ATOM 0 HG3 LYS A 2 2.132 -2.695 -4.765 1.00 2.10 H new ATOM 0 HD2 LYS A 2 1.278 -0.820 -3.776 1.00 11.01 H new ATOM 0 HD3 LYS A 2 2.944 -0.573 -3.292 1.00 11.01 H new ATOM 0 HE2 LYS A 2 2.519 0.467 -5.978 1.00 3.41 H new ATOM 0 HE3 LYS A 2 1.331 1.139 -4.879 1.00 3.41 H new ATOM 0 HZ1 LYS A 2 3.328 2.486 -4.941 1.00 13.24 H new ATOM 0 HZ2 LYS A 2 3.130 1.816 -3.394 1.00 13.24 H new ATOM 0 HZ3 LYS A 2 4.280 1.165 -4.459 1.00 13.24 H new ATOM 45 N TRP A 3 4.220 -5.807 -4.605 1.00 50.20 N ATOM 46 CA TRP A 3 4.033 -6.998 -5.426 1.00 14.30 C ATOM 47 C TRP A 3 2.694 -6.952 -6.154 1.00 50.44 C ATOM 48 O TRP A 3 2.543 -7.524 -7.233 1.00 4.01 O ATOM 49 CB TRP A 3 4.113 -8.256 -4.561 1.00 23.52 C ATOM 50 CG TRP A 3 5.519 -8.678 -4.256 1.00 32.35 C ATOM 51 CD1 TRP A 3 6.350 -8.139 -3.316 1.00 25.20 C ATOM 52 CD2 TRP A 3 6.257 -9.726 -4.894 1.00 33.24 C ATOM 53 NE1 TRP A 3 7.561 -8.789 -3.331 1.00 41.05 N ATOM 54 CE2 TRP A 3 7.529 -9.767 -4.290 1.00 32.23 C ATOM 55 CE3 TRP A 3 5.966 -10.635 -5.914 1.00 63.24 C ATOM 56 CZ2 TRP A 3 8.506 -10.680 -4.675 1.00 64.55 C ATOM 57 CZ3 TRP A 3 6.938 -11.541 -6.296 1.00 53.33 C ATOM 58 CH2 TRP A 3 8.195 -11.559 -5.678 1.00 11.34 C ATOM 0 H TRP A 3 4.294 -5.992 -3.605 1.00 50.20 H new ATOM 0 HA TRP A 3 4.830 -7.025 -6.170 1.00 14.30 H new ATOM 0 HB2 TRP A 3 3.583 -8.079 -3.625 1.00 23.52 H new ATOM 0 HB3 TRP A 3 3.599 -9.071 -5.069 1.00 23.52 H new ATOM 0 HD1 TRP A 3 6.093 -7.322 -2.658 1.00 25.20 H new ATOM 0 HE1 TRP A 3 8.355 -8.578 -2.726 1.00 41.05 H new ATOM 0 HE3 TRP A 3 4.999 -10.630 -6.395 1.00 63.24 H new ATOM 0 HZ2 TRP A 3 9.476 -10.695 -4.199 1.00 64.55 H new ATOM 0 HZ3 TRP A 3 6.724 -12.247 -7.085 1.00 53.33 H new ATOM 0 HH2 TRP A 3 8.933 -12.280 -5.999 1.00 11.34 H new ATOM 69 N GLY A 4 1.723 -6.266 -5.558 1.00 24.03 N ATOM 70 CA GLY A 4 0.410 -6.158 -6.165 1.00 72.41 C ATOM 71 C GLY A 4 0.457 -5.521 -7.540 1.00 21.13 C ATOM 72 O GLY A 4 -0.336 -5.862 -8.417 1.00 34.32 O ATOM 0 H GLY A 4 1.823 -5.783 -4.665 1.00 24.03 H new ATOM 0 HA2 GLY A 4 -0.034 -7.151 -6.243 1.00 72.41 H new ATOM 0 HA3 GLY A 4 -0.239 -5.569 -5.517 1.00 72.41 H new ATOM 76 N TRP A 5 1.388 -4.593 -7.727 1.00 53.55 N ATOM 77 CA TRP A 5 1.534 -3.905 -9.005 1.00 53.43 C ATOM 78 C TRP A 5 2.278 -4.776 -10.011 1.00 31.22 C ATOM 79 O TRP A 5 2.033 -4.699 -11.216 1.00 2.44 O ATOM 80 CB TRP A 5 2.274 -2.580 -8.813 1.00 65.21 C ATOM 81 CG TRP A 5 2.613 -1.897 -10.103 1.00 43.51 C ATOM 82 CD1 TRP A 5 3.844 -1.815 -10.689 1.00 4.45 C ATOM 83 CD2 TRP A 5 1.709 -1.197 -10.966 1.00 23.43 C ATOM 84 NE1 TRP A 5 3.760 -1.107 -11.863 1.00 42.42 N ATOM 85 CE2 TRP A 5 2.461 -0.718 -12.056 1.00 41.22 C ATOM 86 CE3 TRP A 5 0.338 -0.932 -10.924 1.00 41.32 C ATOM 87 CZ2 TRP A 5 1.886 0.012 -13.093 1.00 12.43 C ATOM 88 CZ3 TRP A 5 -0.231 -0.207 -11.954 1.00 13.45 C ATOM 89 CH2 TRP A 5 0.541 0.258 -13.026 1.00 42.03 C ATOM 0 H TRP A 5 2.053 -4.300 -7.011 1.00 53.55 H new ATOM 0 HA TRP A 5 0.537 -3.703 -9.396 1.00 53.43 H new ATOM 0 HB2 TRP A 5 1.660 -1.913 -8.208 1.00 65.21 H new ATOM 0 HB3 TRP A 5 3.192 -2.762 -8.254 1.00 65.21 H new ATOM 0 HD1 TRP A 5 4.750 -2.244 -10.288 1.00 4.45 H new ATOM 0 HE1 TRP A 5 4.539 -0.904 -12.490 1.00 42.42 H new ATOM 0 HE3 TRP A 5 -0.266 -1.287 -10.102 1.00 41.32 H new ATOM 0 HZ2 TRP A 5 2.480 0.371 -13.920 1.00 12.43 H new ATOM 0 HZ3 TRP A 5 -1.290 0.005 -11.932 1.00 13.45 H new ATOM 0 HH2 TRP A 5 0.066 0.822 -13.815 1.00 42.03 H new ATOM 100 N LEU A 6 3.187 -5.606 -9.510 1.00 14.42 N ATOM 101 CA LEU A 6 3.967 -6.493 -10.365 1.00 72.14 C ATOM 102 C LEU A 6 3.173 -7.747 -10.717 1.00 20.33 C ATOM 103 O LEU A 6 3.587 -8.539 -11.564 1.00 14.44 O ATOM 104 CB LEU A 6 5.275 -6.881 -9.674 1.00 11.44 C ATOM 105 CG LEU A 6 5.956 -5.779 -8.860 1.00 71.32 C ATOM 106 CD1 LEU A 6 7.243 -6.296 -8.235 1.00 55.51 C ATOM 107 CD2 LEU A 6 6.235 -4.566 -9.735 1.00 1.33 C ATOM 0 H LEU A 6 3.402 -5.683 -8.516 1.00 14.42 H new ATOM 0 HA LEU A 6 4.196 -5.959 -11.287 1.00 72.14 H new ATOM 0 HB2 LEU A 6 5.077 -7.724 -9.012 1.00 11.44 H new ATOM 0 HB3 LEU A 6 5.975 -7.229 -10.434 1.00 11.44 H new ATOM 0 HG LEU A 6 5.283 -5.476 -8.058 1.00 71.32 H new ATOM 0 HD11 LEU A 6 7.714 -5.499 -7.660 1.00 55.51 H new ATOM 0 HD12 LEU A 6 7.016 -7.134 -7.576 1.00 55.51 H new ATOM 0 HD13 LEU A 6 7.922 -6.626 -9.021 1.00 55.51 H new ATOM 0 HD21 LEU A 6 6.720 -3.792 -9.140 1.00 1.33 H new ATOM 0 HD22 LEU A 6 6.889 -4.854 -10.558 1.00 1.33 H new ATOM 0 HD23 LEU A 6 5.296 -4.182 -10.135 1.00 1.33 H new ATOM 119 N ALA A 7 2.030 -7.921 -10.062 1.00 12.34 N ATOM 120 CA ALA A 7 1.176 -9.076 -10.308 1.00 30.12 C ATOM 121 C ALA A 7 0.892 -9.241 -11.797 1.00 35.22 C ATOM 122 O ALA A 7 0.970 -10.346 -12.334 1.00 41.24 O ATOM 123 CB ALA A 7 -0.126 -8.945 -9.531 1.00 61.41 C ATOM 0 H ALA A 7 1.674 -7.276 -9.356 1.00 12.34 H new ATOM 0 HA ALA A 7 1.703 -9.966 -9.965 1.00 30.12 H new ATOM 0 HB1 ALA A 7 -0.754 -9.815 -9.724 1.00 61.41 H new ATOM 0 HB2 ALA A 7 0.091 -8.884 -8.465 1.00 61.41 H new ATOM 0 HB3 ALA A 7 -0.649 -8.042 -9.847 1.00 61.41 H new ATOM 129 N TRP A 8 0.561 -8.137 -12.457 1.00 35.43 N ATOM 130 CA TRP A 8 0.263 -8.161 -13.885 1.00 5.14 C ATOM 131 C TRP A 8 1.531 -7.961 -14.708 1.00 2.34 C ATOM 132 O TRP A 8 1.613 -8.397 -15.856 1.00 20.32 O ATOM 133 CB TRP A 8 -0.761 -7.079 -14.231 1.00 44.12 C ATOM 134 CG TRP A 8 -0.194 -5.692 -14.196 1.00 11.30 C ATOM 135 CD1 TRP A 8 -0.145 -4.854 -13.119 1.00 12.52 C ATOM 136 CD2 TRP A 8 0.402 -4.982 -15.287 1.00 11.51 C ATOM 137 NE1 TRP A 8 0.445 -3.665 -13.475 1.00 3.14 N ATOM 138 CE2 TRP A 8 0.791 -3.719 -14.799 1.00 53.50 C ATOM 139 CE3 TRP A 8 0.647 -5.290 -16.628 1.00 32.14 C ATOM 140 CZ2 TRP A 8 1.409 -2.767 -15.606 1.00 71.21 C ATOM 141 CZ3 TRP A 8 1.260 -4.345 -17.427 1.00 43.34 C ATOM 142 CH2 TRP A 8 1.636 -3.096 -16.915 1.00 24.02 C ATOM 0 H TRP A 8 0.492 -7.215 -12.027 1.00 35.43 H new ATOM 0 HA TRP A 8 -0.155 -9.138 -14.128 1.00 5.14 H new ATOM 0 HB2 TRP A 8 -1.164 -7.274 -15.225 1.00 44.12 H new ATOM 0 HB3 TRP A 8 -1.595 -7.141 -13.532 1.00 44.12 H new ATOM 0 HD1 TRP A 8 -0.515 -5.091 -12.133 1.00 12.52 H new ATOM 0 HE1 TRP A 8 0.600 -2.871 -12.854 1.00 3.14 H new ATOM 0 HE3 TRP A 8 0.362 -6.250 -17.032 1.00 32.14 H new ATOM 0 HZ2 TRP A 8 1.699 -1.804 -15.213 1.00 71.21 H new ATOM 0 HZ3 TRP A 8 1.453 -4.573 -18.465 1.00 43.34 H new ATOM 0 HH2 TRP A 8 2.114 -2.379 -17.566 1.00 24.02 H new ATOM 153 N VAL A 9 2.519 -7.298 -14.114 1.00 32.11 N ATOM 154 CA VAL A 9 3.784 -7.041 -14.792 1.00 74.54 C ATOM 155 C VAL A 9 4.552 -8.337 -15.031 1.00 12.50 C ATOM 156 O VAL A 9 5.211 -8.499 -16.058 1.00 5.13 O ATOM 157 CB VAL A 9 4.668 -6.074 -13.984 1.00 22.23 C ATOM 158 CG1 VAL A 9 5.963 -5.785 -14.728 1.00 71.31 C ATOM 159 CG2 VAL A 9 3.915 -4.786 -13.687 1.00 64.00 C ATOM 0 H VAL A 9 2.467 -6.929 -13.164 1.00 32.11 H new ATOM 0 HA VAL A 9 3.542 -6.583 -15.751 1.00 74.54 H new ATOM 0 HB VAL A 9 4.921 -6.547 -13.035 1.00 22.23 H new ATOM 0 HG11 VAL A 9 6.575 -5.100 -14.141 1.00 71.31 H new ATOM 0 HG12 VAL A 9 6.509 -6.716 -14.884 1.00 71.31 H new ATOM 0 HG13 VAL A 9 5.735 -5.332 -15.693 1.00 71.31 H new ATOM 0 HG21 VAL A 9 4.555 -4.114 -13.115 1.00 64.00 H new ATOM 0 HG22 VAL A 9 3.631 -4.307 -14.624 1.00 64.00 H new ATOM 0 HG23 VAL A 9 3.019 -5.013 -13.109 1.00 64.00 H new ATOM 169 N ASP A 10 4.461 -9.256 -14.076 1.00 44.23 N ATOM 170 CA ASP A 10 5.147 -10.539 -14.183 1.00 11.43 C ATOM 171 C ASP A 10 6.660 -10.349 -14.162 1.00 24.34 C ATOM 172 O ASP A 10 7.353 -10.574 -15.154 1.00 73.45 O ATOM 173 CB ASP A 10 4.728 -11.260 -15.465 1.00 5.20 C ATOM 174 CG ASP A 10 4.897 -12.763 -15.365 1.00 32.10 C ATOM 175 OD1 ASP A 10 5.337 -13.241 -14.299 1.00 1.33 O ATOM 176 OD2 ASP A 10 4.589 -13.462 -16.353 1.00 70.03 O ATOM 0 H ASP A 10 3.920 -9.137 -13.220 1.00 44.23 H new ATOM 0 HA ASP A 10 4.864 -11.148 -13.324 1.00 11.43 H new ATOM 0 HB2 ASP A 10 3.686 -11.028 -15.685 1.00 5.20 H new ATOM 0 HB3 ASP A 10 5.321 -10.885 -16.300 1.00 5.20 H new ATOM 181 N PRO A 11 7.188 -9.925 -13.004 1.00 11.42 N ATOM 182 CA PRO A 11 8.625 -9.695 -12.825 1.00 73.15 C ATOM 183 C PRO A 11 9.424 -10.994 -12.826 1.00 53.22 C ATOM 184 O PRO A 11 10.563 -11.032 -13.289 1.00 23.11 O ATOM 185 CB PRO A 11 8.708 -9.017 -11.456 1.00 2.41 C ATOM 186 CG PRO A 11 7.489 -9.473 -10.732 1.00 32.10 C ATOM 187 CD PRO A 11 6.422 -9.636 -11.779 1.00 63.44 C ATOM 0 HA PRO A 11 9.047 -9.101 -13.636 1.00 73.15 H new ATOM 0 HB2 PRO A 11 9.615 -9.307 -10.925 1.00 2.41 H new ATOM 0 HB3 PRO A 11 8.728 -7.931 -11.553 1.00 2.41 H new ATOM 0 HG2 PRO A 11 7.673 -10.413 -10.212 1.00 32.10 H new ATOM 0 HG3 PRO A 11 7.188 -8.746 -9.978 1.00 32.10 H new ATOM 0 HD2 PRO A 11 5.737 -10.447 -11.532 1.00 63.44 H new ATOM 0 HD3 PRO A 11 5.821 -8.733 -11.884 1.00 63.44 H new ATOM 195 N ALA A 12 8.818 -12.056 -12.305 1.00 42.02 N ATOM 196 CA ALA A 12 9.473 -13.357 -12.248 1.00 71.13 C ATOM 197 C ALA A 12 9.840 -13.848 -13.644 1.00 63.24 C ATOM 198 O ALA A 12 10.963 -14.296 -13.880 1.00 52.01 O ATOM 199 CB ALA A 12 8.577 -14.369 -11.550 1.00 14.23 C ATOM 0 H ALA A 12 7.875 -12.041 -11.917 1.00 42.02 H new ATOM 0 HA ALA A 12 10.394 -13.248 -11.675 1.00 71.13 H new ATOM 0 HB1 ALA A 12 9.079 -15.336 -11.515 1.00 14.23 H new ATOM 0 HB2 ALA A 12 8.368 -14.031 -10.535 1.00 14.23 H new ATOM 0 HB3 ALA A 12 7.641 -14.466 -12.100 1.00 14.23 H new ATOM 205 N TYR A 13 8.888 -13.762 -14.566 1.00 71.13 N ATOM 206 CA TYR A 13 9.111 -14.201 -15.939 1.00 12.12 C ATOM 207 C TYR A 13 10.376 -13.571 -16.514 1.00 30.05 C ATOM 208 O TYR A 13 11.345 -14.266 -16.818 1.00 33.04 O ATOM 209 CB TYR A 13 7.907 -13.843 -16.813 1.00 24.24 C ATOM 210 CG TYR A 13 7.714 -14.775 -17.988 1.00 44.51 C ATOM 211 CD1 TYR A 13 8.711 -14.936 -18.943 1.00 13.12 C ATOM 212 CD2 TYR A 13 6.536 -15.494 -18.143 1.00 52.12 C ATOM 213 CE1 TYR A 13 8.538 -15.785 -20.019 1.00 22.13 C ATOM 214 CE2 TYR A 13 6.355 -16.347 -19.215 1.00 41.51 C ATOM 215 CZ TYR A 13 7.359 -16.488 -20.150 1.00 71.33 C ATOM 216 OH TYR A 13 7.184 -17.336 -21.220 1.00 32.32 O ATOM 0 H TYR A 13 7.954 -13.392 -14.388 1.00 71.13 H new ATOM 0 HA TYR A 13 9.237 -15.284 -15.931 1.00 12.12 H new ATOM 0 HB2 TYR A 13 7.007 -13.855 -16.199 1.00 24.24 H new ATOM 0 HB3 TYR A 13 8.027 -12.825 -17.183 1.00 24.24 H new ATOM 0 HD1 TYR A 13 9.636 -14.388 -18.842 1.00 13.12 H new ATOM 0 HD2 TYR A 13 5.748 -15.385 -17.413 1.00 52.12 H new ATOM 0 HE1 TYR A 13 9.322 -15.897 -20.753 1.00 22.13 H new ATOM 0 HE2 TYR A 13 5.433 -16.900 -19.320 1.00 41.51 H new ATOM 0 HH TYR A 13 6.300 -17.755 -21.164 1.00 32.32 H new ATOM 226 N GLU A 14 10.358 -12.250 -16.658 1.00 41.34 N ATOM 227 CA GLU A 14 11.503 -11.525 -17.197 1.00 25.34 C ATOM 228 C GLU A 14 12.754 -11.787 -16.362 1.00 71.42 C ATOM 229 O GLU A 14 13.868 -11.819 -16.886 1.00 11.34 O ATOM 230 CB GLU A 14 11.211 -10.024 -17.240 1.00 22.01 C ATOM 231 CG GLU A 14 10.895 -9.426 -15.879 1.00 45.02 C ATOM 232 CD GLU A 14 10.296 -8.037 -15.978 1.00 14.25 C ATOM 233 OE1 GLU A 14 9.112 -7.928 -16.363 1.00 24.14 O ATOM 234 OE2 GLU A 14 11.008 -7.059 -15.670 1.00 45.10 O ATOM 0 H GLU A 14 9.564 -11.660 -16.409 1.00 41.34 H new ATOM 0 HA GLU A 14 11.682 -11.882 -18.211 1.00 25.34 H new ATOM 0 HB2 GLU A 14 12.072 -9.507 -17.664 1.00 22.01 H new ATOM 0 HB3 GLU A 14 10.370 -9.845 -17.910 1.00 22.01 H new ATOM 0 HG2 GLU A 14 10.201 -10.080 -15.351 1.00 45.02 H new ATOM 0 HG3 GLU A 14 11.808 -9.383 -15.284 1.00 45.02 H new ATOM 241 N PHE A 15 12.561 -11.974 -15.061 1.00 21.43 N ATOM 242 CA PHE A 15 13.672 -12.232 -14.152 1.00 64.14 C ATOM 243 C PHE A 15 14.354 -13.555 -14.488 1.00 73.54 C ATOM 244 O PHE A 15 15.574 -13.682 -14.383 1.00 41.42 O ATOM 245 CB PHE A 15 13.181 -12.252 -12.704 1.00 33.14 C ATOM 246 CG PHE A 15 14.281 -12.446 -11.700 1.00 31.22 C ATOM 247 CD1 PHE A 15 14.678 -13.720 -11.325 1.00 12.31 C ATOM 248 CD2 PHE A 15 14.919 -11.355 -11.131 1.00 74.34 C ATOM 249 CE1 PHE A 15 15.689 -13.901 -10.401 1.00 4.02 C ATOM 250 CE2 PHE A 15 15.931 -11.530 -10.207 1.00 62.40 C ATOM 251 CZ PHE A 15 16.318 -12.805 -9.842 1.00 73.11 C ATOM 0 H PHE A 15 11.645 -11.952 -14.612 1.00 21.43 H new ATOM 0 HA PHE A 15 14.399 -11.428 -14.270 1.00 64.14 H new ATOM 0 HB2 PHE A 15 12.666 -11.315 -12.490 1.00 33.14 H new ATOM 0 HB3 PHE A 15 12.449 -13.051 -12.588 1.00 33.14 H new ATOM 0 HD1 PHE A 15 14.192 -14.581 -11.760 1.00 12.31 H new ATOM 0 HD2 PHE A 15 14.621 -10.356 -11.413 1.00 74.34 H new ATOM 0 HE1 PHE A 15 15.988 -14.899 -10.116 1.00 4.02 H new ATOM 0 HE2 PHE A 15 16.419 -10.671 -9.771 1.00 62.40 H new ATOM 0 HZ PHE A 15 17.110 -12.945 -9.121 1.00 73.11 H new ATOM 261 N ILE A 16 13.556 -14.539 -14.892 1.00 44.31 N ATOM 262 CA ILE A 16 14.082 -15.852 -15.244 1.00 32.02 C ATOM 263 C ILE A 16 14.875 -15.796 -16.545 1.00 22.21 C ATOM 264 O ILE A 16 15.916 -16.441 -16.679 1.00 13.30 O ATOM 265 CB ILE A 16 12.953 -16.890 -15.388 1.00 40.22 C ATOM 266 CG1 ILE A 16 12.161 -16.998 -14.084 1.00 34.42 C ATOM 267 CG2 ILE A 16 13.525 -18.244 -15.781 1.00 3.41 C ATOM 268 CD1 ILE A 16 10.670 -17.150 -14.293 1.00 63.50 C ATOM 0 H ILE A 16 12.544 -14.451 -14.983 1.00 44.31 H new ATOM 0 HA ILE A 16 14.743 -16.156 -14.432 1.00 32.02 H new ATOM 0 HB ILE A 16 12.276 -16.561 -16.176 1.00 40.22 H new ATOM 0 HG12 ILE A 16 12.529 -17.852 -13.515 1.00 34.42 H new ATOM 0 HG13 ILE A 16 12.346 -16.109 -13.481 1.00 34.42 H new ATOM 0 HG21 ILE A 16 12.715 -18.967 -15.879 1.00 3.41 H new ATOM 0 HG22 ILE A 16 14.049 -18.155 -16.733 1.00 3.41 H new ATOM 0 HG23 ILE A 16 14.221 -18.581 -15.013 1.00 3.41 H new ATOM 0 HD11 ILE A 16 10.172 -17.221 -13.326 1.00 63.50 H new ATOM 0 HD12 ILE A 16 10.288 -16.285 -14.835 1.00 63.50 H new ATOM 0 HD13 ILE A 16 10.474 -18.054 -14.869 1.00 63.50 H new ATOM 280 N LYS A 17 14.378 -15.020 -17.502 1.00 1.12 N ATOM 281 CA LYS A 17 15.041 -14.876 -18.792 1.00 51.14 C ATOM 282 C LYS A 17 16.262 -13.968 -18.679 1.00 33.52 C ATOM 283 O LYS A 17 17.393 -14.405 -18.884 1.00 63.42 O ATOM 284 CB LYS A 17 14.067 -14.311 -19.829 1.00 0.01 C ATOM 285 CG LYS A 17 12.657 -14.862 -19.703 1.00 23.22 C ATOM 286 CD LYS A 17 11.920 -14.817 -21.031 1.00 22.43 C ATOM 287 CE LYS A 17 11.961 -16.164 -21.737 1.00 30.14 C ATOM 288 NZ LYS A 17 13.230 -16.356 -22.492 1.00 21.44 N ATOM 0 H LYS A 17 13.517 -14.481 -17.408 1.00 1.12 H new ATOM 0 HA LYS A 17 15.373 -15.863 -19.113 1.00 51.14 H new ATOM 0 HB2 LYS A 17 14.034 -13.226 -19.731 1.00 0.01 H new ATOM 0 HB3 LYS A 17 14.446 -14.529 -20.828 1.00 0.01 H new ATOM 0 HG2 LYS A 17 12.698 -15.890 -19.343 1.00 23.22 H new ATOM 0 HG3 LYS A 17 12.105 -14.286 -18.960 1.00 23.22 H new ATOM 0 HD2 LYS A 17 10.884 -14.524 -20.863 1.00 22.43 H new ATOM 0 HD3 LYS A 17 12.367 -14.056 -21.671 1.00 22.43 H new ATOM 0 HE2 LYS A 17 11.851 -16.962 -21.003 1.00 30.14 H new ATOM 0 HE3 LYS A 17 11.116 -16.241 -22.421 1.00 30.14 H new ATOM 0 HZ1 LYS A 17 13.184 -17.247 -23.027 1.00 21.44 H new ATOM 0 HZ2 LYS A 17 13.365 -15.563 -23.151 1.00 21.44 H new ATOM 0 HZ3 LYS A 17 14.028 -16.393 -21.826 1.00 21.44 H new ATOM 302 N GLY A 18 16.024 -12.702 -18.349 1.00 21.51 N ATOM 303 CA GLY A 18 17.114 -11.754 -18.212 1.00 62.33 C ATOM 304 C GLY A 18 17.414 -11.025 -19.507 1.00 15.31 C ATOM 305 O GLY A 18 18.500 -10.472 -19.680 1.00 23.52 O ATOM 0 H GLY A 18 15.096 -12.316 -18.174 1.00 21.51 H new ATOM 0 HA2 GLY A 18 16.864 -11.027 -17.439 1.00 62.33 H new ATOM 0 HA3 GLY A 18 18.009 -12.280 -17.879 1.00 62.33 H new ATOM 309 N PHE A 19 16.448 -11.023 -20.420 1.00 62.12 N ATOM 310 CA PHE A 19 16.615 -10.358 -21.707 1.00 73.23 C ATOM 311 C PHE A 19 15.314 -10.384 -22.505 1.00 63.42 C ATOM 312 O PHE A 19 14.476 -11.266 -22.319 1.00 4.42 O ATOM 313 CB PHE A 19 17.732 -11.027 -22.510 1.00 64.21 C ATOM 314 CG PHE A 19 17.351 -12.370 -23.064 1.00 23.31 C ATOM 315 CD1 PHE A 19 17.547 -13.522 -22.319 1.00 61.33 C ATOM 316 CD2 PHE A 19 16.797 -12.481 -24.329 1.00 12.12 C ATOM 317 CE1 PHE A 19 17.198 -14.759 -22.827 1.00 21.40 C ATOM 318 CE2 PHE A 19 16.445 -13.715 -24.842 1.00 23.54 C ATOM 319 CZ PHE A 19 16.645 -14.856 -24.089 1.00 63.11 C ATOM 0 H PHE A 19 15.542 -11.474 -20.292 1.00 62.12 H new ATOM 0 HA PHE A 19 16.885 -9.319 -21.519 1.00 73.23 H new ATOM 0 HB2 PHE A 19 18.020 -10.372 -23.332 1.00 64.21 H new ATOM 0 HB3 PHE A 19 18.608 -11.141 -21.872 1.00 64.21 H new ATOM 0 HD1 PHE A 19 17.977 -13.452 -21.331 1.00 61.33 H new ATOM 0 HD2 PHE A 19 16.638 -11.592 -24.922 1.00 12.12 H new ATOM 0 HE1 PHE A 19 17.358 -15.650 -22.237 1.00 21.40 H new ATOM 0 HE2 PHE A 19 16.014 -13.787 -25.830 1.00 23.54 H new ATOM 0 HZ PHE A 19 16.370 -15.822 -24.486 1.00 63.11 H new ATOM 329 N GLY A 20 15.153 -9.410 -23.396 1.00 3.05 N ATOM 330 CA GLY A 20 13.953 -9.339 -24.208 1.00 41.52 C ATOM 331 C GLY A 20 12.951 -8.334 -23.675 1.00 50.12 C ATOM 332 O GLY A 20 11.775 -8.653 -23.497 1.00 42.30 O ATOM 0 H GLY A 20 15.832 -8.669 -23.570 1.00 3.05 H new ATOM 0 HA2 GLY A 20 14.224 -9.070 -25.229 1.00 41.52 H new ATOM 0 HA3 GLY A 20 13.488 -10.324 -24.250 1.00 41.52 H new ATOM 336 N LYS A 21 13.416 -7.116 -23.418 1.00 21.21 N ATOM 337 CA LYS A 21 12.553 -6.060 -22.901 1.00 62.43 C ATOM 338 C LYS A 21 13.320 -4.749 -22.766 1.00 11.32 C ATOM 339 O LYS A 21 12.769 -3.671 -22.987 1.00 23.00 O ATOM 340 CB LYS A 21 11.972 -6.466 -21.545 1.00 22.21 C ATOM 341 CG LYS A 21 13.027 -6.843 -20.519 1.00 44.14 C ATOM 342 CD LYS A 21 13.457 -5.641 -19.694 1.00 70.42 C ATOM 343 CE LYS A 21 13.207 -5.866 -18.211 1.00 10.02 C ATOM 344 NZ LYS A 21 13.833 -4.804 -17.376 1.00 4.12 N ATOM 0 H LYS A 21 14.386 -6.836 -23.559 1.00 21.21 H new ATOM 0 HA LYS A 21 11.737 -5.912 -23.609 1.00 62.43 H new ATOM 0 HB2 LYS A 21 11.375 -5.642 -21.154 1.00 22.21 H new ATOM 0 HB3 LYS A 21 11.297 -7.310 -21.686 1.00 22.21 H new ATOM 0 HG2 LYS A 21 12.634 -7.617 -19.859 1.00 44.14 H new ATOM 0 HG3 LYS A 21 13.894 -7.267 -21.026 1.00 44.14 H new ATOM 0 HD2 LYS A 21 14.516 -5.444 -19.860 1.00 70.42 H new ATOM 0 HD3 LYS A 21 12.913 -4.757 -20.026 1.00 70.42 H new ATOM 0 HE2 LYS A 21 12.134 -5.890 -18.023 1.00 10.02 H new ATOM 0 HE3 LYS A 21 13.604 -6.838 -17.919 1.00 10.02 H new ATOM 0 HZ1 LYS A 21 13.640 -4.993 -16.372 1.00 4.12 H new ATOM 0 HZ2 LYS A 21 14.861 -4.797 -17.536 1.00 4.12 H new ATOM 0 HZ3 LYS A 21 13.436 -3.879 -17.636 1.00 4.12 H new ATOM 358 N GLY A 22 14.595 -4.848 -22.402 1.00 60.32 N ATOM 359 CA GLY A 22 15.416 -3.662 -22.245 1.00 64.32 C ATOM 360 C GLY A 22 16.890 -3.991 -22.115 1.00 44.01 C ATOM 361 O GLY A 22 17.740 -3.296 -22.672 1.00 53.00 O ATOM 0 H GLY A 22 15.074 -5.729 -22.213 1.00 60.32 H new ATOM 0 HA2 GLY A 22 15.268 -3.005 -23.102 1.00 64.32 H new ATOM 0 HA3 GLY A 22 15.090 -3.112 -21.362 1.00 64.32 H new ATOM 365 N ALA A 23 17.195 -5.053 -21.376 1.00 44.31 N ATOM 366 CA ALA A 23 18.577 -5.472 -21.175 1.00 32.01 C ATOM 367 C ALA A 23 19.286 -5.685 -22.508 1.00 74.21 C ATOM 368 O ALA A 23 20.323 -5.078 -22.774 1.00 2.10 O ATOM 369 CB ALA A 23 18.626 -6.743 -20.340 1.00 2.25 C ATOM 0 H ALA A 23 16.504 -5.639 -20.907 1.00 44.31 H new ATOM 0 HA ALA A 23 19.098 -4.678 -20.640 1.00 32.01 H new ATOM 0 HB1 ALA A 23 19.664 -7.045 -20.197 1.00 2.25 H new ATOM 0 HB2 ALA A 23 18.165 -6.559 -19.370 1.00 2.25 H new ATOM 0 HB3 ALA A 23 18.084 -7.537 -20.854 1.00 2.25 H new ATOM 375 N ILE A 24 18.720 -6.551 -23.342 1.00 34.22 N ATOM 376 CA ILE A 24 19.298 -6.844 -24.647 1.00 40.55 C ATOM 377 C ILE A 24 18.931 -5.768 -25.665 1.00 31.35 C ATOM 378 O ILE A 24 19.699 -5.477 -26.581 1.00 42.43 O ATOM 379 CB ILE A 24 18.833 -8.214 -25.175 1.00 41.42 C ATOM 380 CG1 ILE A 24 19.655 -8.618 -26.401 1.00 31.12 C ATOM 381 CG2 ILE A 24 17.350 -8.175 -25.514 1.00 64.40 C ATOM 382 CD1 ILE A 24 21.119 -8.847 -26.098 1.00 21.12 C ATOM 0 H ILE A 24 17.861 -7.062 -23.137 1.00 34.22 H new ATOM 0 HA ILE A 24 20.380 -6.863 -24.515 1.00 40.55 H new ATOM 0 HB ILE A 24 18.988 -8.960 -24.395 1.00 41.42 H new ATOM 0 HG12 ILE A 24 19.234 -9.529 -26.827 1.00 31.12 H new ATOM 0 HG13 ILE A 24 19.567 -7.841 -27.160 1.00 31.12 H new ATOM 0 HG21 ILE A 24 17.036 -9.150 -25.886 1.00 64.40 H new ATOM 0 HG22 ILE A 24 16.779 -7.927 -24.620 1.00 64.40 H new ATOM 0 HG23 ILE A 24 17.172 -7.420 -26.280 1.00 64.40 H new ATOM 0 HD11 ILE A 24 21.640 -9.130 -27.013 1.00 21.12 H new ATOM 0 HD12 ILE A 24 21.556 -7.931 -25.700 1.00 21.12 H new ATOM 0 HD13 ILE A 24 21.218 -9.645 -25.362 1.00 21.12 H new ATOM 394 N LYS A 25 17.752 -5.180 -25.496 1.00 14.14 N ATOM 395 CA LYS A 25 17.282 -4.134 -26.396 1.00 50.21 C ATOM 396 C LYS A 25 18.222 -2.932 -26.371 1.00 75.45 C ATOM 397 O LYS A 25 18.656 -2.452 -27.418 1.00 22.14 O ATOM 398 CB LYS A 25 15.867 -3.696 -26.009 1.00 64.42 C ATOM 399 CG LYS A 25 15.436 -2.391 -26.656 1.00 21.35 C ATOM 400 CD LYS A 25 14.030 -2.488 -27.224 1.00 22.24 C ATOM 401 CE LYS A 25 13.959 -3.487 -28.369 1.00 4.41 C ATOM 402 NZ LYS A 25 13.888 -2.808 -29.693 1.00 22.14 N ATOM 0 H LYS A 25 17.104 -5.410 -24.743 1.00 14.14 H new ATOM 0 HA LYS A 25 17.266 -4.540 -27.407 1.00 50.21 H new ATOM 0 HB2 LYS A 25 15.164 -4.480 -26.289 1.00 64.42 H new ATOM 0 HB3 LYS A 25 15.812 -3.590 -24.926 1.00 64.42 H new ATOM 0 HG2 LYS A 25 15.478 -1.588 -25.920 1.00 21.35 H new ATOM 0 HG3 LYS A 25 16.134 -2.131 -27.452 1.00 21.35 H new ATOM 0 HD2 LYS A 25 13.338 -2.786 -26.436 1.00 22.24 H new ATOM 0 HD3 LYS A 25 13.710 -1.507 -27.575 1.00 22.24 H new ATOM 0 HE2 LYS A 25 14.834 -4.136 -28.340 1.00 4.41 H new ATOM 0 HE3 LYS A 25 13.085 -4.125 -28.241 1.00 4.41 H new ATOM 0 HZ1 LYS A 25 13.841 -3.522 -30.447 1.00 22.14 H new ATOM 0 HZ2 LYS A 25 13.039 -2.208 -29.731 1.00 22.14 H new ATOM 0 HZ3 LYS A 25 14.734 -2.219 -29.827 1.00 22.14 H new ATOM 416 N GLU A 26 18.531 -2.453 -25.171 1.00 23.54 N ATOM 417 CA GLU A 26 19.420 -1.309 -25.012 1.00 2.44 C ATOM 418 C GLU A 26 20.876 -1.716 -25.222 1.00 34.42 C ATOM 419 O GLU A 26 21.774 -0.876 -25.216 1.00 22.25 O ATOM 420 CB GLU A 26 19.248 -0.690 -23.623 1.00 11.12 C ATOM 421 CG GLU A 26 19.965 -1.454 -22.523 1.00 22.22 C ATOM 422 CD GLU A 26 19.333 -1.247 -21.160 1.00 51.33 C ATOM 423 OE1 GLU A 26 18.349 -0.483 -21.074 1.00 54.40 O ATOM 424 OE2 GLU A 26 19.822 -1.847 -20.181 1.00 33.41 O ATOM 0 H GLU A 26 18.179 -2.839 -24.295 1.00 23.54 H new ATOM 0 HA GLU A 26 19.155 -0.569 -25.768 1.00 2.44 H new ATOM 0 HB2 GLU A 26 19.619 0.335 -23.643 1.00 11.12 H new ATOM 0 HB3 GLU A 26 18.185 -0.640 -23.386 1.00 11.12 H new ATOM 0 HG2 GLU A 26 19.962 -2.517 -22.763 1.00 22.22 H new ATOM 0 HG3 GLU A 26 21.008 -1.139 -22.487 1.00 22.22 H new ATOM 431 N GLY A 27 21.100 -3.014 -25.407 1.00 52.14 N ATOM 432 CA GLY A 27 22.447 -3.511 -25.616 1.00 31.50 C ATOM 433 C GLY A 27 22.778 -3.689 -27.084 1.00 65.14 C ATOM 434 O GLY A 27 23.852 -3.294 -27.537 1.00 53.23 O ATOM 0 H GLY A 27 20.373 -3.729 -25.416 1.00 52.14 H new ATOM 0 HA2 GLY A 27 23.160 -2.819 -25.167 1.00 31.50 H new ATOM 0 HA3 GLY A 27 22.563 -4.465 -25.102 1.00 31.50 H new ATOM 438 N ASN A 28 21.855 -4.287 -27.830 1.00 31.32 N ATOM 439 CA ASN A 28 22.056 -4.519 -29.256 1.00 13.23 C ATOM 440 C ASN A 28 21.900 -3.222 -30.045 1.00 33.25 C ATOM 441 O ASN A 28 22.571 -3.012 -31.055 1.00 71.41 O ATOM 442 CB ASN A 28 21.063 -5.564 -29.769 1.00 12.33 C ATOM 443 CG ASN A 28 19.729 -4.954 -30.153 1.00 15.20 C ATOM 444 OD1 ASN A 28 19.394 -4.859 -31.334 1.00 12.11 O ATOM 445 ND2 ASN A 28 18.959 -4.536 -29.154 1.00 64.41 N ATOM 0 H ASN A 28 20.960 -4.620 -27.471 1.00 31.32 H new ATOM 0 HA ASN A 28 23.071 -4.891 -29.399 1.00 13.23 H new ATOM 0 HB2 ASN A 28 21.489 -6.073 -30.634 1.00 12.33 H new ATOM 0 HB3 ASN A 28 20.906 -6.320 -29.000 1.00 12.33 H new ATOM 0 HD21 ASN A 28 18.050 -4.117 -29.351 1.00 64.41 H new ATOM 0 HD22 ASN A 28 19.277 -4.634 -28.190 1.00 64.41 H new ATOM 452 N LYS A 29 21.010 -2.354 -29.576 1.00 34.35 N ATOM 453 CA LYS A 29 20.765 -1.077 -30.234 1.00 43.34 C ATOM 454 C LYS A 29 21.881 -0.084 -29.927 1.00 3.45 C ATOM 455 O LYS A 29 22.115 0.857 -30.686 1.00 11.13 O ATOM 456 CB LYS A 29 19.419 -0.500 -29.791 1.00 74.34 C ATOM 457 CG LYS A 29 19.451 0.128 -28.409 1.00 21.42 C ATOM 458 CD LYS A 29 18.051 0.411 -27.892 1.00 55.10 C ATOM 459 CE LYS A 29 17.973 1.768 -27.208 1.00 74.44 C ATOM 460 NZ LYS A 29 17.307 1.681 -25.879 1.00 55.43 N ATOM 0 H LYS A 29 20.446 -2.513 -28.741 1.00 34.35 H new ATOM 0 HA LYS A 29 20.742 -1.251 -31.310 1.00 43.34 H new ATOM 0 HB2 LYS A 29 19.099 0.250 -30.514 1.00 74.34 H new ATOM 0 HB3 LYS A 29 18.672 -1.293 -29.803 1.00 74.34 H new ATOM 0 HG2 LYS A 29 19.967 -0.538 -27.718 1.00 21.42 H new ATOM 0 HG3 LYS A 29 20.022 1.056 -28.443 1.00 21.42 H new ATOM 0 HD2 LYS A 29 17.343 0.378 -28.720 1.00 55.10 H new ATOM 0 HD3 LYS A 29 17.757 -0.369 -27.190 1.00 55.10 H new ATOM 0 HE2 LYS A 29 18.978 2.171 -27.085 1.00 74.44 H new ATOM 0 HE3 LYS A 29 17.426 2.464 -27.844 1.00 74.44 H new ATOM 0 HZ1 LYS A 29 17.212 2.635 -25.475 1.00 55.43 H new ATOM 0 HZ2 LYS A 29 16.364 1.257 -25.990 1.00 55.43 H new ATOM 0 HZ3 LYS A 29 17.879 1.090 -25.242 1.00 55.43 H new ATOM 474 N ASP A 30 22.568 -0.300 -28.810 1.00 40.12 N ATOM 475 CA ASP A 30 23.662 0.575 -28.404 1.00 33.05 C ATOM 476 C ASP A 30 24.978 0.126 -29.030 1.00 23.14 C ATOM 477 O ASP A 30 26.042 0.659 -28.714 1.00 3.00 O ATOM 478 CB ASP A 30 23.788 0.595 -26.879 1.00 72.54 C ATOM 479 CG ASP A 30 22.787 1.529 -26.228 1.00 24.24 C ATOM 480 OD1 ASP A 30 21.833 1.949 -26.915 1.00 35.15 O ATOM 481 OD2 ASP A 30 22.959 1.839 -25.030 1.00 52.24 O ATOM 0 H ASP A 30 22.387 -1.073 -28.170 1.00 40.12 H new ATOM 0 HA ASP A 30 23.439 1.582 -28.756 1.00 33.05 H new ATOM 0 HB2 ASP A 30 23.644 -0.414 -26.492 1.00 72.54 H new ATOM 0 HB3 ASP A 30 24.798 0.901 -26.605 1.00 72.54 H new ATOM 486 N LYS A 31 24.899 -0.859 -29.918 1.00 45.11 N ATOM 487 CA LYS A 31 26.084 -1.381 -30.589 1.00 51.15 C ATOM 488 C LYS A 31 26.606 -0.387 -31.622 1.00 24.10 C ATOM 489 O LYS A 31 27.799 -0.362 -31.925 1.00 23.32 O ATOM 490 CB LYS A 31 25.765 -2.716 -31.267 1.00 12.34 C ATOM 491 CG LYS A 31 25.490 -3.844 -30.288 1.00 11.03 C ATOM 492 CD LYS A 31 26.681 -4.096 -29.379 1.00 22.41 C ATOM 493 CE LYS A 31 26.857 -5.579 -29.089 1.00 60.23 C ATOM 494 NZ LYS A 31 26.026 -6.021 -27.935 1.00 70.45 N ATOM 0 H LYS A 31 24.027 -1.312 -30.190 1.00 45.11 H new ATOM 0 HA LYS A 31 26.857 -1.538 -29.837 1.00 51.15 H new ATOM 0 HB2 LYS A 31 24.897 -2.587 -31.914 1.00 12.34 H new ATOM 0 HB3 LYS A 31 26.601 -2.998 -31.908 1.00 12.34 H new ATOM 0 HG2 LYS A 31 24.616 -3.598 -29.685 1.00 11.03 H new ATOM 0 HG3 LYS A 31 25.252 -4.754 -30.838 1.00 11.03 H new ATOM 0 HD2 LYS A 31 27.585 -3.706 -29.846 1.00 22.41 H new ATOM 0 HD3 LYS A 31 26.546 -3.555 -28.443 1.00 22.41 H new ATOM 0 HE2 LYS A 31 26.587 -6.156 -29.973 1.00 60.23 H new ATOM 0 HE3 LYS A 31 27.907 -5.786 -28.881 1.00 60.23 H new ATOM 0 HZ1 LYS A 31 26.174 -7.037 -27.770 1.00 70.45 H new ATOM 0 HZ2 LYS A 31 26.301 -5.488 -27.085 1.00 70.45 H new ATOM 0 HZ3 LYS A 31 25.022 -5.847 -28.143 1.00 70.45 H new ATOM 508 N TRP A 32 25.707 0.430 -32.157 1.00 50.32 N ATOM 509 CA TRP A 32 26.079 1.427 -33.155 1.00 14.31 C ATOM 510 C TRP A 32 27.232 2.292 -32.657 1.00 71.44 C ATOM 511 O TRP A 32 28.031 2.794 -33.448 1.00 54.22 O ATOM 512 CB TRP A 32 24.876 2.308 -33.498 1.00 61.12 C ATOM 513 CG TRP A 32 24.514 3.270 -32.408 1.00 12.13 C ATOM 514 CD1 TRP A 32 24.281 2.972 -31.095 1.00 71.25 C ATOM 515 CD2 TRP A 32 24.341 4.686 -32.536 1.00 63.41 C ATOM 516 NE1 TRP A 32 23.974 4.117 -30.400 1.00 70.34 N ATOM 517 CE2 TRP A 32 24.005 5.182 -31.261 1.00 62.33 C ATOM 518 CE3 TRP A 32 24.440 5.583 -33.603 1.00 61.52 C ATOM 519 CZ2 TRP A 32 23.767 6.533 -31.028 1.00 11.50 C ATOM 520 CZ3 TRP A 32 24.203 6.924 -33.370 1.00 71.20 C ATOM 521 CH2 TRP A 32 23.870 7.389 -32.091 1.00 4.11 C ATOM 0 H TRP A 32 24.716 0.422 -31.917 1.00 50.32 H new ATOM 0 HA TRP A 32 26.405 0.902 -34.053 1.00 14.31 H new ATOM 0 HB2 TRP A 32 25.092 2.867 -34.409 1.00 61.12 H new ATOM 0 HB3 TRP A 32 24.017 1.671 -33.711 1.00 61.12 H new ATOM 0 HD1 TRP A 32 24.331 1.982 -30.666 1.00 71.25 H new ATOM 0 HE1 TRP A 32 23.758 4.166 -29.404 1.00 70.34 H new ATOM 0 HE3 TRP A 32 24.697 5.234 -34.592 1.00 61.52 H new ATOM 0 HZ2 TRP A 32 23.510 6.894 -30.043 1.00 11.50 H new ATOM 0 HZ3 TRP A 32 24.276 7.626 -34.188 1.00 71.20 H new ATOM 0 HH2 TRP A 32 23.691 8.443 -31.941 1.00 4.11 H new ATOM 532 N LYS A 33 27.314 2.461 -31.342 1.00 50.11 N ATOM 533 CA LYS A 33 28.371 3.264 -30.738 1.00 72.21 C ATOM 534 C LYS A 33 29.747 2.731 -31.125 1.00 11.14 C ATOM 535 O LYS A 33 30.730 3.471 -31.129 1.00 60.50 O ATOM 536 CB LYS A 33 28.225 3.273 -29.215 1.00 22.12 C ATOM 537 CG LYS A 33 29.204 4.201 -28.516 1.00 34.12 C ATOM 538 CD LYS A 33 30.271 3.423 -27.765 1.00 32.43 C ATOM 539 CE LYS A 33 29.680 2.660 -26.589 1.00 25.05 C ATOM 540 NZ LYS A 33 29.932 1.196 -26.694 1.00 41.12 N ATOM 0 H LYS A 33 26.661 2.052 -30.673 1.00 50.11 H new ATOM 0 HA LYS A 33 28.278 4.284 -31.112 1.00 72.21 H new ATOM 0 HB2 LYS A 33 27.208 3.570 -28.958 1.00 22.12 H new ATOM 0 HB3 LYS A 33 28.366 2.260 -28.839 1.00 22.12 H new ATOM 0 HG2 LYS A 33 29.677 4.852 -29.251 1.00 34.12 H new ATOM 0 HG3 LYS A 33 28.664 4.844 -27.821 1.00 34.12 H new ATOM 0 HD2 LYS A 33 30.760 2.725 -28.444 1.00 32.43 H new ATOM 0 HD3 LYS A 33 31.038 4.109 -27.406 1.00 32.43 H new ATOM 0 HE2 LYS A 33 30.108 3.036 -25.660 1.00 25.05 H new ATOM 0 HE3 LYS A 33 28.606 2.841 -26.541 1.00 25.05 H new ATOM 0 HZ1 LYS A 33 29.514 0.712 -25.874 1.00 41.12 H new ATOM 0 HZ2 LYS A 33 29.502 0.831 -27.568 1.00 41.12 H new ATOM 0 HZ3 LYS A 33 30.957 1.021 -26.714 1.00 41.12 H new ATOM 554 N ASN A 34 29.808 1.444 -31.450 1.00 22.22 N ATOM 555 CA ASN A 34 31.064 0.813 -31.839 1.00 22.21 C ATOM 556 C ASN A 34 31.363 1.061 -33.314 1.00 63.43 C ATOM 557 O ASN A 34 30.987 0.266 -34.176 1.00 73.12 O ATOM 558 CB ASN A 34 31.010 -0.691 -31.564 1.00 20.35 C ATOM 559 CG ASN A 34 32.154 -1.441 -32.219 1.00 52.43 C ATOM 560 OD1 ASN A 34 31.941 -2.271 -33.103 1.00 31.35 O ATOM 561 ND2 ASN A 34 33.376 -1.150 -31.788 1.00 53.43 N ATOM 0 H ASN A 34 29.003 0.818 -31.452 1.00 22.22 H new ATOM 0 HA ASN A 34 31.863 1.256 -31.245 1.00 22.21 H new ATOM 0 HB2 ASN A 34 31.036 -0.862 -30.488 1.00 20.35 H new ATOM 0 HB3 ASN A 34 30.063 -1.090 -31.927 1.00 20.35 H new ATOM 0 HD21 ASN A 34 34.185 -1.622 -32.192 1.00 53.43 H new ATOM 0 HD22 ASN A 34 33.505 -0.455 -31.053 1.00 53.43 H new ATOM 568 N ILE A 35 32.043 2.167 -33.597 1.00 33.02 N ATOM 569 CA ILE A 35 32.394 2.518 -34.967 1.00 52.22 C ATOM 570 C ILE A 35 33.681 1.825 -35.400 1.00 3.13 C ATOM 571 O ILE A 35 33.657 0.696 -35.889 1.00 71.22 O ATOM 572 CB ILE A 35 32.563 4.040 -35.133 1.00 13.14 C ATOM 573 CG1 ILE A 35 31.337 4.774 -34.585 1.00 30.23 C ATOM 574 CG2 ILE A 35 32.787 4.392 -36.596 1.00 4.14 C ATOM 575 CD1 ILE A 35 31.639 5.641 -33.383 1.00 22.14 C ATOM 0 H ILE A 35 32.362 2.835 -32.895 1.00 33.02 H new ATOM 0 HA ILE A 35 31.572 2.181 -35.599 1.00 52.22 H new ATOM 0 HB ILE A 35 33.438 4.357 -34.565 1.00 13.14 H new ATOM 0 HG12 ILE A 35 30.913 5.395 -35.374 1.00 30.23 H new ATOM 0 HG13 ILE A 35 30.577 4.042 -34.313 1.00 30.23 H new ATOM 0 HG21 ILE A 35 32.905 5.471 -36.697 1.00 4.14 H new ATOM 0 HG22 ILE A 35 33.687 3.894 -36.956 1.00 4.14 H new ATOM 0 HG23 ILE A 35 31.930 4.064 -37.184 1.00 4.14 H new ATOM 0 HD11 ILE A 35 30.724 6.130 -33.048 1.00 22.14 H new ATOM 0 HD12 ILE A 35 32.035 5.022 -32.578 1.00 22.14 H new ATOM 0 HD13 ILE A 35 32.376 6.396 -33.655 1.00 22.14 H new TER 587 ILE A 35