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 Single : A 1 LYS N :NH3+ 154:sc= 0.017 (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+ 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= -1.05 K(o=-1,f=-3.5!) 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= -0.655 K(o=-0.65,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 3.772 1.897 -0.986 1.00 55.05 N ATOM 2 CA LYS A 1 4.166 1.786 -2.386 1.00 4.33 C ATOM 3 C LYS A 1 4.013 0.352 -2.882 1.00 44.23 C ATOM 4 O LYS A 1 4.005 -0.592 -2.092 1.00 75.02 O ATOM 5 CB LYS A 1 5.614 2.248 -2.567 1.00 1.15 C ATOM 6 CG LYS A 1 5.748 3.528 -3.373 1.00 51.22 C ATOM 7 CD LYS A 1 6.774 3.382 -4.484 1.00 41.43 C ATOM 8 CE LYS A 1 6.453 4.290 -5.662 1.00 71.41 C ATOM 9 NZ LYS A 1 7.679 4.682 -6.411 1.00 21.24 N ATOM 0 H1 LYS A 1 4.267 2.700 -0.549 1.00 55.05 H new ATOM 0 H2 LYS A 1 2.745 2.049 -0.925 1.00 55.05 H new ATOM 0 H3 LYS A 1 4.022 1.021 -0.484 1.00 55.05 H new ATOM 0 HA LYS A 1 3.510 2.427 -2.975 1.00 4.33 H new ATOM 0 HB2 LYS A 1 6.064 2.398 -1.586 1.00 1.15 H new ATOM 0 HB3 LYS A 1 6.180 1.457 -3.060 1.00 1.15 H new ATOM 0 HG2 LYS A 1 4.781 3.792 -3.802 1.00 51.22 H new ATOM 0 HG3 LYS A 1 6.038 4.346 -2.713 1.00 51.22 H new ATOM 0 HD2 LYS A 1 7.765 3.621 -4.099 1.00 41.43 H new ATOM 0 HD3 LYS A 1 6.803 2.345 -4.820 1.00 41.43 H new ATOM 0 HE2 LYS A 1 5.763 3.781 -6.335 1.00 71.41 H new ATOM 0 HE3 LYS A 1 5.945 5.185 -5.303 1.00 71.41 H new ATOM 0 HZ1 LYS A 1 7.418 5.300 -7.205 1.00 21.24 H new ATOM 0 HZ2 LYS A 1 8.327 5.190 -5.775 1.00 21.24 H new ATOM 0 HZ3 LYS A 1 8.150 3.830 -6.776 1.00 21.24 H new ATOM 23 N LYS A 2 3.895 0.195 -4.196 1.00 54.44 N ATOM 24 CA LYS A 2 3.745 -1.123 -4.800 1.00 31.53 C ATOM 25 C LYS A 2 4.913 -2.030 -4.423 1.00 53.33 C ATOM 26 O LYS A 2 4.726 -3.214 -4.143 1.00 42.15 O ATOM 27 CB LYS A 2 3.649 -1.003 -6.322 1.00 44.33 C ATOM 28 CG LYS A 2 2.317 -0.458 -6.807 1.00 32.31 C ATOM 29 CD LYS A 2 1.173 -1.399 -6.466 1.00 62.03 C ATOM 30 CE LYS A 2 0.161 -1.479 -7.599 1.00 63.21 C ATOM 31 NZ LYS A 2 0.116 -2.838 -8.207 1.00 50.22 N ATOM 0 H LYS A 2 3.900 0.966 -4.864 1.00 54.44 H new ATOM 0 HA LYS A 2 2.825 -1.567 -4.419 1.00 31.53 H new ATOM 0 HB2 LYS A 2 4.449 -0.354 -6.678 1.00 44.33 H new ATOM 0 HB3 LYS A 2 3.814 -1.985 -6.766 1.00 44.33 H new ATOM 0 HG2 LYS A 2 2.135 0.517 -6.354 1.00 32.31 H new ATOM 0 HG3 LYS A 2 2.356 -0.306 -7.886 1.00 32.31 H new ATOM 0 HD2 LYS A 2 1.568 -2.394 -6.259 1.00 62.03 H new ATOM 0 HD3 LYS A 2 0.677 -1.057 -5.557 1.00 62.03 H new ATOM 0 HE2 LYS A 2 -0.828 -1.217 -7.222 1.00 63.21 H new ATOM 0 HE3 LYS A 2 0.415 -0.746 -8.365 1.00 63.21 H new ATOM 0 HZ1 LYS A 2 -0.585 -2.852 -8.975 1.00 50.22 H new ATOM 0 HZ2 LYS A 2 1.053 -3.078 -8.589 1.00 50.22 H new ATOM 0 HZ3 LYS A 2 -0.151 -3.534 -7.482 1.00 50.22 H new ATOM 45 N TRP A 3 6.115 -1.466 -4.417 1.00 51.53 N ATOM 46 CA TRP A 3 7.313 -2.223 -4.073 1.00 72.34 C ATOM 47 C TRP A 3 7.486 -3.420 -5.003 1.00 14.43 C ATOM 48 O TRP A 3 7.677 -4.547 -4.549 1.00 61.23 O ATOM 49 CB TRP A 3 7.242 -2.696 -2.621 1.00 24.35 C ATOM 50 CG TRP A 3 7.591 -1.627 -1.630 1.00 43.11 C ATOM 51 CD1 TRP A 3 8.554 -0.667 -1.765 1.00 34.30 C ATOM 52 CD2 TRP A 3 6.982 -1.410 -0.353 1.00 20.13 C ATOM 53 NE1 TRP A 3 8.579 0.133 -0.648 1.00 63.03 N ATOM 54 CE2 TRP A 3 7.624 -0.301 0.232 1.00 23.34 C ATOM 55 CE3 TRP A 3 5.955 -2.043 0.353 1.00 62.22 C ATOM 56 CZ2 TRP A 3 7.273 0.184 1.489 1.00 53.51 C ATOM 57 CZ3 TRP A 3 5.608 -1.560 1.600 1.00 53.01 C ATOM 58 CH2 TRP A 3 6.264 -0.455 2.157 1.00 1.44 C ATOM 0 H TRP A 3 6.286 -0.487 -4.646 1.00 51.53 H new ATOM 0 HA TRP A 3 8.175 -1.566 -4.192 1.00 72.34 H new ATOM 0 HB2 TRP A 3 6.235 -3.059 -2.414 1.00 24.35 H new ATOM 0 HB3 TRP A 3 7.919 -3.540 -2.488 1.00 24.35 H new ATOM 0 HD1 TRP A 3 9.200 -0.554 -2.623 1.00 34.30 H new ATOM 0 HE1 TRP A 3 9.207 0.922 -0.499 1.00 63.03 H new ATOM 0 HE3 TRP A 3 5.442 -2.895 -0.069 1.00 62.22 H new ATOM 0 HZ2 TRP A 3 7.779 1.034 1.922 1.00 53.51 H new ATOM 0 HZ3 TRP A 3 4.817 -2.043 2.155 1.00 53.01 H new ATOM 0 HH2 TRP A 3 5.968 -0.100 3.133 1.00 1.44 H new ATOM 69 N GLY A 4 7.417 -3.166 -6.306 1.00 70.22 N ATOM 70 CA GLY A 4 7.568 -4.233 -7.278 1.00 61.03 C ATOM 71 C GLY A 4 9.003 -4.399 -7.739 1.00 53.41 C ATOM 72 O GLY A 4 9.262 -5.012 -8.774 1.00 60.32 O ATOM 0 H GLY A 4 7.259 -2.241 -6.706 1.00 70.22 H new ATOM 0 HA2 GLY A 4 7.219 -5.169 -6.842 1.00 61.03 H new ATOM 0 HA3 GLY A 4 6.934 -4.027 -8.140 1.00 61.03 H new ATOM 76 N TRP A 5 9.936 -3.849 -6.971 1.00 20.14 N ATOM 77 CA TRP A 5 11.352 -3.938 -7.307 1.00 45.43 C ATOM 78 C TRP A 5 11.922 -5.296 -6.912 1.00 1.51 C ATOM 79 O TRP A 5 12.429 -6.037 -7.755 1.00 52.32 O ATOM 80 CB TRP A 5 12.134 -2.821 -6.612 1.00 74.24 C ATOM 81 CG TRP A 5 11.573 -1.455 -6.869 1.00 71.23 C ATOM 82 CD1 TRP A 5 10.779 -1.078 -7.915 1.00 22.41 C ATOM 83 CD2 TRP A 5 11.765 -0.285 -6.067 1.00 63.11 C ATOM 84 NE1 TRP A 5 10.467 0.256 -7.811 1.00 34.41 N ATOM 85 CE2 TRP A 5 11.059 0.765 -6.686 1.00 34.15 C ATOM 86 CE3 TRP A 5 12.464 -0.022 -4.886 1.00 32.44 C ATOM 87 CZ2 TRP A 5 11.033 2.055 -6.162 1.00 20.44 C ATOM 88 CZ3 TRP A 5 12.438 1.258 -4.367 1.00 53.20 C ATOM 89 CH2 TRP A 5 11.726 2.283 -5.004 1.00 12.41 C ATOM 0 H TRP A 5 9.738 -3.337 -6.112 1.00 20.14 H new ATOM 0 HA TRP A 5 11.451 -3.824 -8.387 1.00 45.43 H new ATOM 0 HB2 TRP A 5 12.142 -3.007 -5.538 1.00 74.24 H new ATOM 0 HB3 TRP A 5 13.171 -2.849 -6.948 1.00 74.24 H new ATOM 0 HD1 TRP A 5 10.446 -1.732 -8.707 1.00 22.41 H new ATOM 0 HE1 TRP A 5 9.888 0.782 -8.466 1.00 34.41 H new ATOM 0 HE3 TRP A 5 13.015 -0.806 -4.388 1.00 32.44 H new ATOM 0 HZ2 TRP A 5 10.486 2.847 -6.652 1.00 20.44 H new ATOM 0 HZ3 TRP A 5 12.975 1.472 -3.455 1.00 53.20 H new ATOM 0 HH2 TRP A 5 11.724 3.273 -4.572 1.00 12.41 H new ATOM 100 N LEU A 6 11.836 -5.617 -5.626 1.00 10.42 N ATOM 101 CA LEU A 6 12.343 -6.887 -5.119 1.00 20.03 C ATOM 102 C LEU A 6 11.551 -8.057 -5.693 1.00 20.54 C ATOM 103 O LEU A 6 12.064 -9.170 -5.808 1.00 3.03 O ATOM 104 CB LEU A 6 12.277 -6.912 -3.591 1.00 14.23 C ATOM 105 CG LEU A 6 10.903 -6.644 -2.974 1.00 43.21 C ATOM 106 CD1 LEU A 6 10.184 -7.952 -2.684 1.00 52.14 C ATOM 107 CD2 LEU A 6 11.041 -5.816 -1.705 1.00 30.24 C ATOM 0 H LEU A 6 11.420 -5.015 -4.915 1.00 10.42 H new ATOM 0 HA LEU A 6 13.382 -6.987 -5.433 1.00 20.03 H new ATOM 0 HB2 LEU A 6 12.623 -7.887 -3.248 1.00 14.23 H new ATOM 0 HB3 LEU A 6 12.977 -6.171 -3.205 1.00 14.23 H new ATOM 0 HG LEU A 6 10.308 -6.078 -3.691 1.00 43.21 H new ATOM 0 HD11 LEU A 6 9.209 -7.742 -2.245 1.00 52.14 H new ATOM 0 HD12 LEU A 6 10.052 -8.508 -3.612 1.00 52.14 H new ATOM 0 HD13 LEU A 6 10.775 -8.545 -1.986 1.00 52.14 H new ATOM 0 HD21 LEU A 6 10.054 -5.635 -1.280 1.00 30.24 H new ATOM 0 HD22 LEU A 6 11.654 -6.356 -0.983 1.00 30.24 H new ATOM 0 HD23 LEU A 6 11.514 -4.863 -1.942 1.00 30.24 H new ATOM 119 N ALA A 7 10.298 -7.798 -6.053 1.00 5.31 N ATOM 120 CA ALA A 7 9.437 -8.828 -6.619 1.00 20.30 C ATOM 121 C ALA A 7 9.924 -9.253 -8.000 1.00 53.24 C ATOM 122 O ALA A 7 9.700 -10.386 -8.426 1.00 51.24 O ATOM 123 CB ALA A 7 8.000 -8.333 -6.693 1.00 22.35 C ATOM 0 H ALA A 7 9.857 -6.883 -5.962 1.00 5.31 H new ATOM 0 HA ALA A 7 9.476 -9.699 -5.965 1.00 20.30 H new ATOM 0 HB1 ALA A 7 7.368 -9.113 -7.118 1.00 22.35 H new ATOM 0 HB2 ALA A 7 7.648 -8.086 -5.691 1.00 22.35 H new ATOM 0 HB3 ALA A 7 7.953 -7.445 -7.323 1.00 22.35 H new ATOM 129 N TRP A 8 10.589 -8.337 -8.695 1.00 52.01 N ATOM 130 CA TRP A 8 11.106 -8.617 -10.030 1.00 24.24 C ATOM 131 C TRP A 8 12.525 -9.171 -9.958 1.00 70.31 C ATOM 132 O TRP A 8 12.961 -9.905 -10.845 1.00 51.14 O ATOM 133 CB TRP A 8 11.083 -7.349 -10.885 1.00 24.14 C ATOM 134 CG TRP A 8 9.716 -6.995 -11.385 1.00 13.31 C ATOM 135 CD1 TRP A 8 8.523 -7.296 -10.792 1.00 53.22 C ATOM 136 CD2 TRP A 8 9.401 -6.274 -12.581 1.00 60.24 C ATOM 137 NE1 TRP A 8 7.485 -6.806 -11.548 1.00 43.13 N ATOM 138 CE2 TRP A 8 7.998 -6.174 -12.651 1.00 34.35 C ATOM 139 CE3 TRP A 8 10.168 -5.702 -13.600 1.00 12.02 C ATOM 140 CZ2 TRP A 8 7.349 -5.527 -13.698 1.00 55.24 C ATOM 141 CZ3 TRP A 8 9.522 -5.060 -14.639 1.00 41.02 C ATOM 142 CH2 TRP A 8 8.124 -4.976 -14.682 1.00 1.20 C ATOM 0 H TRP A 8 10.783 -7.395 -8.357 1.00 52.01 H new ATOM 0 HA TRP A 8 10.465 -9.368 -10.491 1.00 24.24 H new ATOM 0 HB2 TRP A 8 11.474 -6.517 -10.299 1.00 24.14 H new ATOM 0 HB3 TRP A 8 11.751 -7.481 -11.736 1.00 24.14 H new ATOM 0 HD1 TRP A 8 8.412 -7.839 -9.865 1.00 53.22 H new ATOM 0 HE1 TRP A 8 6.494 -6.898 -11.325 1.00 43.13 H new ATOM 0 HE3 TRP A 8 11.246 -5.761 -13.576 1.00 12.02 H new ATOM 0 HZ2 TRP A 8 6.272 -5.462 -13.733 1.00 55.24 H new ATOM 0 HZ3 TRP A 8 10.105 -4.615 -15.432 1.00 41.02 H new ATOM 0 HH2 TRP A 8 7.649 -4.467 -15.507 1.00 1.20 H new ATOM 153 N VAL A 9 13.242 -8.816 -8.896 1.00 73.14 N ATOM 154 CA VAL A 9 14.611 -9.279 -8.709 1.00 24.42 C ATOM 155 C VAL A 9 14.642 -10.738 -8.267 1.00 64.24 C ATOM 156 O VAL A 9 15.608 -11.456 -8.528 1.00 61.03 O ATOM 157 CB VAL A 9 15.356 -8.423 -7.667 1.00 72.20 C ATOM 158 CG1 VAL A 9 16.772 -8.939 -7.465 1.00 63.52 C ATOM 159 CG2 VAL A 9 15.367 -6.962 -8.089 1.00 42.21 C ATOM 0 H VAL A 9 12.897 -8.209 -8.152 1.00 73.14 H new ATOM 0 HA VAL A 9 15.112 -9.183 -9.672 1.00 24.42 H new ATOM 0 HB VAL A 9 14.829 -8.499 -6.716 1.00 72.20 H new ATOM 0 HG11 VAL A 9 17.282 -8.322 -6.726 1.00 63.52 H new ATOM 0 HG12 VAL A 9 16.737 -9.970 -7.114 1.00 63.52 H new ATOM 0 HG13 VAL A 9 17.313 -8.895 -8.410 1.00 63.52 H new ATOM 0 HG21 VAL A 9 15.897 -6.371 -7.342 1.00 42.21 H new ATOM 0 HG22 VAL A 9 15.869 -6.865 -9.051 1.00 42.21 H new ATOM 0 HG23 VAL A 9 14.342 -6.601 -8.177 1.00 42.21 H new ATOM 169 N ASP A 10 13.580 -11.171 -7.598 1.00 13.41 N ATOM 170 CA ASP A 10 13.484 -12.545 -7.121 1.00 33.41 C ATOM 171 C ASP A 10 13.623 -13.532 -8.276 1.00 35.21 C ATOM 172 O ASP A 10 14.531 -14.363 -8.309 1.00 52.33 O ATOM 173 CB ASP A 10 12.152 -12.767 -6.402 1.00 10.50 C ATOM 174 CG ASP A 10 12.326 -12.961 -4.908 1.00 54.25 C ATOM 175 OD1 ASP A 10 13.132 -12.223 -4.305 1.00 22.55 O ATOM 176 OD2 ASP A 10 11.655 -13.851 -4.344 1.00 4.33 O ATOM 0 H ASP A 10 12.773 -10.590 -7.373 1.00 13.41 H new ATOM 0 HA ASP A 10 14.300 -12.717 -6.419 1.00 33.41 H new ATOM 0 HB2 ASP A 10 11.499 -11.913 -6.581 1.00 10.50 H new ATOM 0 HB3 ASP A 10 11.656 -13.641 -6.824 1.00 10.50 H new ATOM 181 N PRO A 11 12.701 -13.442 -9.246 1.00 14.21 N ATOM 182 CA PRO A 11 12.698 -14.319 -10.420 1.00 64.32 C ATOM 183 C PRO A 11 13.861 -14.029 -11.363 1.00 40.41 C ATOM 184 O PRO A 11 14.244 -14.875 -12.170 1.00 43.22 O ATOM 185 CB PRO A 11 11.365 -13.998 -11.100 1.00 62.33 C ATOM 186 CG PRO A 11 11.042 -12.611 -10.665 1.00 44.54 C ATOM 187 CD PRO A 11 11.590 -12.476 -9.271 1.00 54.32 C ATOM 0 HA PRO A 11 12.810 -15.368 -10.145 1.00 64.32 H new ATOM 0 HB2 PRO A 11 11.448 -14.063 -12.185 1.00 62.33 H new ATOM 0 HB3 PRO A 11 10.587 -14.699 -10.797 1.00 62.33 H new ATOM 0 HG2 PRO A 11 11.492 -11.877 -11.334 1.00 44.54 H new ATOM 0 HG3 PRO A 11 9.966 -12.438 -10.680 1.00 44.54 H new ATOM 0 HD2 PRO A 11 11.935 -11.462 -9.071 1.00 54.32 H new ATOM 0 HD3 PRO A 11 10.837 -12.710 -8.519 1.00 54.32 H new ATOM 195 N ALA A 12 14.418 -12.827 -11.255 1.00 43.01 N ATOM 196 CA ALA A 12 15.539 -12.426 -12.097 1.00 30.24 C ATOM 197 C ALA A 12 16.824 -13.127 -11.670 1.00 22.31 C ATOM 198 O ALA A 12 17.390 -13.920 -12.423 1.00 40.23 O ATOM 199 CB ALA A 12 15.719 -10.916 -12.051 1.00 63.15 C ATOM 0 H ALA A 12 14.111 -12.114 -10.593 1.00 43.01 H new ATOM 0 HA ALA A 12 15.317 -12.724 -13.122 1.00 30.24 H new ATOM 0 HB1 ALA A 12 16.559 -10.630 -12.684 1.00 63.15 H new ATOM 0 HB2 ALA A 12 14.812 -10.430 -12.411 1.00 63.15 H new ATOM 0 HB3 ALA A 12 15.915 -10.604 -11.025 1.00 63.15 H new ATOM 205 N TYR A 13 17.280 -12.830 -10.458 1.00 63.13 N ATOM 206 CA TYR A 13 18.501 -13.430 -9.933 1.00 10.22 C ATOM 207 C TYR A 13 18.435 -14.952 -10.006 1.00 63.30 C ATOM 208 O TYR A 13 19.430 -15.613 -10.302 1.00 71.25 O ATOM 209 CB TYR A 13 18.730 -12.987 -8.487 1.00 21.13 C ATOM 210 CG TYR A 13 20.186 -12.763 -8.145 1.00 70.24 C ATOM 211 CD1 TYR A 13 21.109 -13.798 -8.236 1.00 55.04 C ATOM 212 CD2 TYR A 13 20.639 -11.516 -7.733 1.00 21.13 C ATOM 213 CE1 TYR A 13 22.439 -13.598 -7.925 1.00 3.12 C ATOM 214 CE2 TYR A 13 21.968 -11.306 -7.420 1.00 64.55 C ATOM 215 CZ TYR A 13 22.864 -12.351 -7.518 1.00 5.44 C ATOM 216 OH TYR A 13 24.190 -12.147 -7.208 1.00 14.14 O ATOM 0 H TYR A 13 16.823 -12.178 -9.821 1.00 63.13 H new ATOM 0 HA TYR A 13 19.336 -13.091 -10.547 1.00 10.22 H new ATOM 0 HB2 TYR A 13 18.177 -12.065 -8.307 1.00 21.13 H new ATOM 0 HB3 TYR A 13 18.320 -13.741 -7.816 1.00 21.13 H new ATOM 0 HD1 TYR A 13 20.780 -14.776 -8.556 1.00 55.04 H new ATOM 0 HD2 TYR A 13 19.940 -10.696 -7.656 1.00 21.13 H new ATOM 0 HE1 TYR A 13 23.143 -14.414 -8.000 1.00 3.12 H new ATOM 0 HE2 TYR A 13 22.304 -10.330 -7.101 1.00 64.55 H new ATOM 0 HH TYR A 13 24.324 -11.214 -6.940 1.00 14.14 H new ATOM 226 N GLU A 14 17.255 -15.501 -9.734 1.00 4.10 N ATOM 227 CA GLU A 14 17.059 -16.945 -9.769 1.00 22.43 C ATOM 228 C GLU A 14 17.262 -17.488 -11.180 1.00 63.34 C ATOM 229 O GLU A 14 17.614 -18.654 -11.365 1.00 13.22 O ATOM 230 CB GLU A 14 15.658 -17.304 -9.269 1.00 61.32 C ATOM 231 CG GLU A 14 15.510 -17.220 -7.759 1.00 62.23 C ATOM 232 CD GLU A 14 15.845 -18.527 -7.067 1.00 2.14 C ATOM 233 OE1 GLU A 14 16.638 -19.310 -7.630 1.00 45.11 O ATOM 234 OE2 GLU A 14 15.315 -18.767 -5.962 1.00 55.41 O ATOM 0 H GLU A 14 16.421 -14.968 -9.487 1.00 4.10 H new ATOM 0 HA GLU A 14 17.800 -17.402 -9.113 1.00 22.43 H new ATOM 0 HB2 GLU A 14 14.933 -16.636 -9.734 1.00 61.32 H new ATOM 0 HB3 GLU A 14 15.414 -18.315 -9.594 1.00 61.32 H new ATOM 0 HG2 GLU A 14 16.161 -16.434 -7.377 1.00 62.23 H new ATOM 0 HG3 GLU A 14 14.487 -16.935 -7.513 1.00 62.23 H new ATOM 241 N PHE A 15 17.038 -16.635 -12.174 1.00 50.10 N ATOM 242 CA PHE A 15 17.194 -17.028 -13.570 1.00 25.15 C ATOM 243 C PHE A 15 18.669 -17.198 -13.925 1.00 13.23 C ATOM 244 O PHE A 15 19.061 -18.196 -14.530 1.00 3.22 O ATOM 245 CB PHE A 15 16.553 -15.987 -14.490 1.00 30.53 C ATOM 246 CG PHE A 15 15.643 -16.583 -15.526 1.00 22.12 C ATOM 247 CD1 PHE A 15 16.164 -17.185 -16.660 1.00 73.11 C ATOM 248 CD2 PHE A 15 14.268 -16.542 -15.365 1.00 54.43 C ATOM 249 CE1 PHE A 15 15.329 -17.733 -17.615 1.00 74.13 C ATOM 250 CE2 PHE A 15 13.428 -17.088 -16.317 1.00 35.40 C ATOM 251 CZ PHE A 15 13.959 -17.686 -17.443 1.00 11.10 C ATOM 0 H PHE A 15 16.748 -15.667 -12.039 1.00 50.10 H new ATOM 0 HA PHE A 15 16.691 -17.985 -13.711 1.00 25.15 H new ATOM 0 HB2 PHE A 15 15.987 -15.278 -13.885 1.00 30.53 H new ATOM 0 HB3 PHE A 15 17.340 -15.422 -14.990 1.00 30.53 H new ATOM 0 HD1 PHE A 15 17.234 -17.226 -16.799 1.00 73.11 H new ATOM 0 HD2 PHE A 15 13.847 -16.078 -14.485 1.00 54.43 H new ATOM 0 HE1 PHE A 15 15.747 -18.198 -18.496 1.00 74.13 H new ATOM 0 HE2 PHE A 15 12.357 -17.047 -16.181 1.00 35.40 H new ATOM 0 HZ PHE A 15 13.305 -18.116 -18.187 1.00 11.10 H new ATOM 261 N ILE A 16 19.479 -16.216 -13.545 1.00 3.12 N ATOM 262 CA ILE A 16 20.910 -16.256 -13.822 1.00 73.34 C ATOM 263 C ILE A 16 21.582 -17.403 -13.076 1.00 24.22 C ATOM 264 O ILE A 16 22.622 -17.909 -13.499 1.00 21.23 O ATOM 265 CB ILE A 16 21.596 -14.933 -13.434 1.00 61.43 C ATOM 266 CG1 ILE A 16 20.967 -13.765 -14.195 1.00 51.34 C ATOM 267 CG2 ILE A 16 23.090 -15.010 -13.712 1.00 31.41 C ATOM 268 CD1 ILE A 16 19.962 -12.983 -13.379 1.00 11.22 C ATOM 0 H ILE A 16 19.169 -15.383 -13.045 1.00 3.12 H new ATOM 0 HA ILE A 16 21.020 -16.411 -14.895 1.00 73.34 H new ATOM 0 HB ILE A 16 21.453 -14.766 -12.366 1.00 61.43 H new ATOM 0 HG12 ILE A 16 21.757 -13.091 -14.527 1.00 51.34 H new ATOM 0 HG13 ILE A 16 20.477 -14.147 -15.091 1.00 51.34 H new ATOM 0 HG21 ILE A 16 23.561 -14.068 -13.433 1.00 31.41 H new ATOM 0 HG22 ILE A 16 23.527 -15.821 -13.129 1.00 31.41 H new ATOM 0 HG23 ILE A 16 23.253 -15.197 -14.773 1.00 31.41 H new ATOM 0 HD11 ILE A 16 19.557 -12.170 -13.982 1.00 11.22 H new ATOM 0 HD12 ILE A 16 19.152 -13.643 -13.069 1.00 11.22 H new ATOM 0 HD13 ILE A 16 20.452 -12.571 -12.497 1.00 11.22 H new ATOM 280 N LYS A 17 20.981 -17.811 -11.963 1.00 43.31 N ATOM 281 CA LYS A 17 21.519 -18.900 -11.157 1.00 61.54 C ATOM 282 C LYS A 17 21.646 -20.176 -11.983 1.00 60.55 C ATOM 283 O LYS A 17 22.427 -21.067 -11.651 1.00 74.43 O ATOM 284 CB LYS A 17 20.624 -19.154 -9.942 1.00 51.23 C ATOM 285 CG LYS A 17 20.709 -18.065 -8.887 1.00 21.24 C ATOM 286 CD LYS A 17 21.536 -18.510 -7.692 1.00 33.41 C ATOM 287 CE LYS A 17 22.121 -17.322 -6.945 1.00 44.22 C ATOM 288 NZ LYS A 17 23.271 -17.718 -6.086 1.00 20.42 N ATOM 0 H LYS A 17 20.120 -17.403 -11.599 1.00 43.31 H new ATOM 0 HA LYS A 17 22.512 -18.609 -10.814 1.00 61.54 H new ATOM 0 HB2 LYS A 17 19.590 -19.246 -10.275 1.00 51.23 H new ATOM 0 HB3 LYS A 17 20.899 -20.107 -9.491 1.00 51.23 H new ATOM 0 HG2 LYS A 17 21.150 -17.169 -9.323 1.00 21.24 H new ATOM 0 HG3 LYS A 17 19.705 -17.798 -8.557 1.00 21.24 H new ATOM 0 HD2 LYS A 17 20.914 -19.096 -7.015 1.00 33.41 H new ATOM 0 HD3 LYS A 17 22.342 -19.162 -8.029 1.00 33.41 H new ATOM 0 HE2 LYS A 17 22.446 -16.567 -7.661 1.00 44.22 H new ATOM 0 HE3 LYS A 17 21.348 -16.864 -6.328 1.00 44.22 H new ATOM 0 HZ1 LYS A 17 23.641 -16.880 -5.594 1.00 20.42 H new ATOM 0 HZ2 LYS A 17 22.956 -18.420 -5.386 1.00 20.42 H new ATOM 0 HZ3 LYS A 17 24.020 -18.131 -6.677 1.00 20.42 H new ATOM 302 N GLY A 18 20.874 -20.257 -13.063 1.00 13.21 N ATOM 303 CA GLY A 18 20.916 -21.427 -13.920 1.00 64.11 C ATOM 304 C GLY A 18 21.231 -21.079 -15.361 1.00 44.13 C ATOM 305 O GLY A 18 21.835 -21.874 -16.082 1.00 5.31 O ATOM 0 H GLY A 18 20.220 -19.532 -13.359 1.00 13.21 H new ATOM 0 HA2 GLY A 18 21.667 -22.122 -13.545 1.00 64.11 H new ATOM 0 HA3 GLY A 18 19.956 -21.941 -13.875 1.00 64.11 H new ATOM 309 N PHE A 19 20.820 -19.888 -15.784 1.00 60.12 N ATOM 310 CA PHE A 19 21.060 -19.437 -17.150 1.00 75.32 C ATOM 311 C PHE A 19 22.473 -18.882 -17.300 1.00 11.13 C ATOM 312 O PHE A 19 23.081 -18.980 -18.365 1.00 31.34 O ATOM 313 CB PHE A 19 20.036 -18.371 -17.545 1.00 11.43 C ATOM 314 CG PHE A 19 20.374 -17.659 -18.823 1.00 42.04 C ATOM 315 CD1 PHE A 19 21.158 -16.517 -18.809 1.00 43.43 C ATOM 316 CD2 PHE A 19 19.909 -18.132 -20.039 1.00 73.54 C ATOM 317 CE1 PHE A 19 21.470 -15.859 -19.984 1.00 63.54 C ATOM 318 CE2 PHE A 19 20.218 -17.480 -21.218 1.00 12.21 C ATOM 319 CZ PHE A 19 21.001 -16.342 -21.190 1.00 74.33 C ATOM 0 H PHE A 19 20.319 -19.218 -15.201 1.00 60.12 H new ATOM 0 HA PHE A 19 20.954 -20.296 -17.813 1.00 75.32 H new ATOM 0 HB2 PHE A 19 19.057 -18.839 -17.647 1.00 11.43 H new ATOM 0 HB3 PHE A 19 19.957 -17.639 -16.741 1.00 11.43 H new ATOM 0 HD1 PHE A 19 21.530 -16.136 -17.869 1.00 43.43 H new ATOM 0 HD2 PHE A 19 19.297 -19.022 -20.066 1.00 73.54 H new ATOM 0 HE1 PHE A 19 22.080 -14.968 -19.959 1.00 63.54 H new ATOM 0 HE2 PHE A 19 19.848 -17.859 -22.159 1.00 12.21 H new ATOM 0 HZ PHE A 19 21.246 -15.831 -22.109 1.00 74.33 H new ATOM 329 N GLY A 20 22.989 -18.297 -16.223 1.00 44.32 N ATOM 330 CA GLY A 20 24.326 -17.733 -16.255 1.00 24.21 C ATOM 331 C GLY A 20 25.151 -18.128 -15.046 1.00 33.04 C ATOM 332 O GLY A 20 25.820 -17.291 -14.440 1.00 43.55 O ATOM 0 H GLY A 20 22.505 -18.204 -15.330 1.00 44.32 H new ATOM 0 HA2 GLY A 20 24.834 -18.062 -17.161 1.00 24.21 H new ATOM 0 HA3 GLY A 20 24.257 -16.646 -16.305 1.00 24.21 H new ATOM 336 N LYS A 21 25.102 -19.407 -14.690 1.00 73.43 N ATOM 337 CA LYS A 21 25.849 -19.913 -13.545 1.00 31.02 C ATOM 338 C LYS A 21 27.350 -19.738 -13.754 1.00 13.21 C ATOM 339 O LYS A 21 28.128 -19.777 -12.802 1.00 34.13 O ATOM 340 CB LYS A 21 25.525 -21.390 -13.310 1.00 60.23 C ATOM 341 CG LYS A 21 25.957 -22.296 -14.451 1.00 33.04 C ATOM 342 CD LYS A 21 24.767 -22.766 -15.271 1.00 12.24 C ATOM 343 CE LYS A 21 24.457 -24.232 -15.013 1.00 74.41 C ATOM 344 NZ LYS A 21 25.232 -25.130 -15.914 1.00 55.20 N ATOM 0 H LYS A 21 24.552 -20.113 -15.179 1.00 73.43 H new ATOM 0 HA LYS A 21 25.553 -19.338 -12.667 1.00 31.02 H new ATOM 0 HB2 LYS A 21 26.012 -21.719 -12.392 1.00 60.23 H new ATOM 0 HB3 LYS A 21 24.451 -21.498 -13.158 1.00 60.23 H new ATOM 0 HG2 LYS A 21 26.656 -21.763 -15.095 1.00 33.04 H new ATOM 0 HG3 LYS A 21 26.488 -23.160 -14.050 1.00 33.04 H new ATOM 0 HD2 LYS A 21 23.894 -22.160 -15.028 1.00 12.24 H new ATOM 0 HD3 LYS A 21 24.973 -22.618 -16.331 1.00 12.24 H new ATOM 0 HE2 LYS A 21 24.685 -24.474 -13.975 1.00 74.41 H new ATOM 0 HE3 LYS A 21 23.391 -24.408 -15.154 1.00 74.41 H new ATOM 0 HZ1 LYS A 21 24.992 -26.121 -15.707 1.00 55.20 H new ATOM 0 HZ2 LYS A 21 24.996 -24.917 -16.904 1.00 55.20 H new ATOM 0 HZ3 LYS A 21 26.250 -24.981 -15.761 1.00 55.20 H new ATOM 358 N GLY A 22 27.750 -19.543 -15.007 1.00 15.41 N ATOM 359 CA GLY A 22 29.156 -19.363 -15.317 1.00 53.34 C ATOM 360 C GLY A 22 29.404 -18.161 -16.207 1.00 11.32 C ATOM 361 O GLY A 22 30.378 -17.432 -16.020 1.00 30.33 O ATOM 0 H GLY A 22 27.125 -19.507 -15.813 1.00 15.41 H new ATOM 0 HA2 GLY A 22 29.717 -19.247 -14.390 1.00 53.34 H new ATOM 0 HA3 GLY A 22 29.534 -20.259 -15.808 1.00 53.34 H new ATOM 365 N ALA A 23 28.521 -17.953 -17.179 1.00 24.34 N ATOM 366 CA ALA A 23 28.649 -16.831 -18.100 1.00 63.11 C ATOM 367 C ALA A 23 28.282 -15.517 -17.419 1.00 71.02 C ATOM 368 O ALA A 23 27.105 -15.174 -17.307 1.00 13.44 O ATOM 369 CB ALA A 23 27.778 -17.054 -19.327 1.00 53.22 C ATOM 0 H ALA A 23 27.709 -18.547 -17.348 1.00 24.34 H new ATOM 0 HA ALA A 23 29.691 -16.768 -18.414 1.00 63.11 H new ATOM 0 HB1 ALA A 23 27.883 -16.208 -20.007 1.00 53.22 H new ATOM 0 HB2 ALA A 23 28.090 -17.967 -19.833 1.00 53.22 H new ATOM 0 HB3 ALA A 23 26.736 -17.146 -19.021 1.00 53.22 H new ATOM 375 N ILE A 24 29.296 -14.787 -16.967 1.00 14.14 N ATOM 376 CA ILE A 24 29.078 -13.511 -16.297 1.00 40.52 C ATOM 377 C ILE A 24 28.688 -12.426 -17.295 1.00 54.14 C ATOM 378 O ILE A 24 28.043 -11.440 -16.937 1.00 44.44 O ATOM 379 CB ILE A 24 30.333 -13.057 -15.528 1.00 70.12 C ATOM 380 CG1 ILE A 24 30.776 -14.143 -14.546 1.00 64.53 C ATOM 381 CG2 ILE A 24 30.062 -11.752 -14.795 1.00 42.44 C ATOM 382 CD1 ILE A 24 29.723 -14.497 -13.520 1.00 74.23 C ATOM 0 H ILE A 24 30.276 -15.057 -17.052 1.00 14.14 H new ATOM 0 HA ILE A 24 28.263 -13.662 -15.589 1.00 40.52 H new ATOM 0 HB ILE A 24 31.138 -12.889 -16.243 1.00 70.12 H new ATOM 0 HG12 ILE A 24 31.043 -15.040 -15.105 1.00 64.53 H new ATOM 0 HG13 ILE A 24 31.676 -13.809 -14.030 1.00 64.53 H new ATOM 0 HG21 ILE A 24 30.958 -11.444 -14.256 1.00 42.44 H new ATOM 0 HG22 ILE A 24 29.788 -10.980 -15.515 1.00 42.44 H new ATOM 0 HG23 ILE A 24 29.245 -11.895 -14.088 1.00 42.44 H new ATOM 0 HD11 ILE A 24 30.107 -15.273 -12.858 1.00 74.23 H new ATOM 0 HD12 ILE A 24 29.473 -13.612 -12.935 1.00 74.23 H new ATOM 0 HD13 ILE A 24 28.829 -14.862 -14.027 1.00 74.23 H new ATOM 394 N LYS A 25 29.080 -12.615 -18.550 1.00 64.55 N ATOM 395 CA LYS A 25 28.770 -11.656 -19.603 1.00 54.32 C ATOM 396 C LYS A 25 27.286 -11.695 -19.955 1.00 32.03 C ATOM 397 O LYS A 25 26.557 -10.732 -19.717 1.00 64.24 O ATOM 398 CB LYS A 25 29.608 -11.946 -20.850 1.00 72.23 C ATOM 399 CG LYS A 25 31.092 -12.094 -20.565 1.00 3.54 C ATOM 400 CD LYS A 25 31.595 -13.481 -20.927 1.00 12.02 C ATOM 401 CE LYS A 25 32.124 -13.528 -22.352 1.00 52.31 C ATOM 402 NZ LYS A 25 33.606 -13.389 -22.399 1.00 13.14 N ATOM 0 H LYS A 25 29.614 -13.426 -18.863 1.00 64.55 H new ATOM 0 HA LYS A 25 29.012 -10.659 -19.234 1.00 54.32 H new ATOM 0 HB2 LYS A 25 29.244 -12.861 -21.318 1.00 72.23 H new ATOM 0 HB3 LYS A 25 29.463 -11.140 -21.570 1.00 72.23 H new ATOM 0 HG2 LYS A 25 31.648 -11.346 -21.130 1.00 3.54 H new ATOM 0 HG3 LYS A 25 31.281 -11.902 -19.509 1.00 3.54 H new ATOM 0 HD2 LYS A 25 32.384 -13.775 -20.235 1.00 12.02 H new ATOM 0 HD3 LYS A 25 30.787 -14.203 -20.814 1.00 12.02 H new ATOM 0 HE2 LYS A 25 31.833 -14.470 -22.816 1.00 52.31 H new ATOM 0 HE3 LYS A 25 31.666 -12.730 -22.936 1.00 52.31 H new ATOM 0 HZ1 LYS A 25 33.927 -13.426 -23.388 1.00 13.14 H new ATOM 0 HZ2 LYS A 25 33.883 -12.479 -21.979 1.00 13.14 H new ATOM 0 HZ3 LYS A 25 34.045 -14.165 -21.863 1.00 13.14 H new ATOM 416 N GLU A 26 26.845 -12.815 -20.520 1.00 5.12 N ATOM 417 CA GLU A 26 25.448 -12.978 -20.903 1.00 30.34 C ATOM 418 C GLU A 26 24.558 -13.108 -19.670 1.00 12.31 C ATOM 419 O GLU A 26 23.373 -12.778 -19.709 1.00 21.32 O ATOM 420 CB GLU A 26 25.281 -14.209 -21.797 1.00 5.41 C ATOM 421 CG GLU A 26 26.262 -14.255 -22.957 1.00 13.01 C ATOM 422 CD GLU A 26 26.199 -13.012 -23.824 1.00 22.25 C ATOM 423 OE1 GLU A 26 25.083 -12.501 -24.049 1.00 74.12 O ATOM 424 OE2 GLU A 26 27.268 -12.551 -24.276 1.00 1.22 O ATOM 0 H GLU A 26 27.435 -13.622 -20.722 1.00 5.12 H new ATOM 0 HA GLU A 26 25.144 -12.091 -21.458 1.00 30.34 H new ATOM 0 HB2 GLU A 26 25.404 -15.107 -21.192 1.00 5.41 H new ATOM 0 HB3 GLU A 26 24.265 -14.227 -22.190 1.00 5.41 H new ATOM 0 HG2 GLU A 26 27.274 -14.371 -22.568 1.00 13.01 H new ATOM 0 HG3 GLU A 26 26.053 -15.132 -23.570 1.00 13.01 H new ATOM 431 N GLY A 27 25.139 -13.591 -18.576 1.00 35.03 N ATOM 432 CA GLY A 27 24.384 -13.757 -17.347 1.00 42.30 C ATOM 433 C GLY A 27 24.277 -12.469 -16.554 1.00 65.12 C ATOM 434 O GLY A 27 23.264 -11.775 -16.618 1.00 74.42 O ATOM 0 H GLY A 27 26.118 -13.870 -18.519 1.00 35.03 H new ATOM 0 HA2 GLY A 27 23.383 -14.118 -17.585 1.00 42.30 H new ATOM 0 HA3 GLY A 27 24.860 -14.520 -16.732 1.00 42.30 H new ATOM 438 N ASN A 28 25.326 -12.150 -15.803 1.00 45.21 N ATOM 439 CA ASN A 28 25.345 -10.938 -14.992 1.00 43.22 C ATOM 440 C ASN A 28 25.644 -9.713 -15.851 1.00 52.05 C ATOM 441 O ASN A 28 26.624 -9.004 -15.623 1.00 23.20 O ATOM 442 CB ASN A 28 26.388 -11.060 -13.879 1.00 32.10 C ATOM 443 CG ASN A 28 25.843 -11.763 -12.651 1.00 35.30 C ATOM 444 OD1 ASN A 28 24.709 -12.245 -12.649 1.00 44.44 O ATOM 445 ND2 ASN A 28 26.649 -11.825 -11.598 1.00 22.31 N ATOM 0 H ASN A 28 26.174 -12.714 -15.739 1.00 45.21 H new ATOM 0 HA ASN A 28 24.359 -10.815 -14.545 1.00 43.22 H new ATOM 0 HB2 ASN A 28 27.253 -11.607 -14.254 1.00 32.10 H new ATOM 0 HB3 ASN A 28 26.736 -10.065 -13.600 1.00 32.10 H new ATOM 0 HD21 ASN A 28 26.337 -12.286 -10.743 1.00 22.31 H new ATOM 0 HD22 ASN A 28 27.581 -11.412 -11.644 1.00 22.31 H new ATOM 452 N LYS A 29 24.791 -9.469 -16.841 1.00 23.30 N ATOM 453 CA LYS A 29 24.961 -8.330 -17.734 1.00 51.45 C ATOM 454 C LYS A 29 24.517 -7.037 -17.057 1.00 42.35 C ATOM 455 O LYS A 29 24.663 -5.950 -17.617 1.00 65.02 O ATOM 456 CB LYS A 29 24.163 -8.543 -19.023 1.00 45.42 C ATOM 457 CG LYS A 29 22.659 -8.519 -18.818 1.00 53.44 C ATOM 458 CD LYS A 29 21.979 -9.670 -19.541 1.00 2.31 C ATOM 459 CE LYS A 29 20.583 -9.925 -18.993 1.00 63.13 C ATOM 460 NZ LYS A 29 20.032 -11.225 -19.465 1.00 74.34 N ATOM 0 H LYS A 29 23.975 -10.046 -17.044 1.00 23.30 H new ATOM 0 HA LYS A 29 26.020 -8.247 -17.979 1.00 51.45 H new ATOM 0 HB2 LYS A 29 24.436 -7.770 -19.741 1.00 45.42 H new ATOM 0 HB3 LYS A 29 24.446 -9.500 -19.462 1.00 45.42 H new ATOM 0 HG2 LYS A 29 22.435 -8.574 -17.753 1.00 53.44 H new ATOM 0 HG3 LYS A 29 22.257 -7.573 -19.179 1.00 53.44 H new ATOM 0 HD2 LYS A 29 21.918 -9.447 -20.606 1.00 2.31 H new ATOM 0 HD3 LYS A 29 22.582 -10.572 -19.439 1.00 2.31 H new ATOM 0 HE2 LYS A 29 20.613 -9.917 -17.903 1.00 63.13 H new ATOM 0 HE3 LYS A 29 19.919 -9.116 -19.299 1.00 63.13 H new ATOM 0 HZ1 LYS A 29 19.080 -11.362 -19.070 1.00 74.34 H new ATOM 0 HZ2 LYS A 29 19.979 -11.223 -20.504 1.00 74.34 H new ATOM 0 HZ3 LYS A 29 20.652 -11.999 -19.151 1.00 74.34 H new ATOM 474 N ASP A 30 23.977 -7.162 -15.851 1.00 15.24 N ATOM 475 CA ASP A 30 23.514 -6.003 -15.096 1.00 40.31 C ATOM 476 C ASP A 30 23.642 -6.245 -13.595 1.00 52.14 C ATOM 477 O ASP A 30 22.740 -5.919 -12.824 1.00 14.43 O ATOM 478 CB ASP A 30 22.061 -5.682 -15.452 1.00 24.43 C ATOM 479 CG ASP A 30 21.224 -6.931 -15.644 1.00 74.23 C ATOM 480 OD1 ASP A 30 21.068 -7.698 -14.670 1.00 51.34 O ATOM 481 OD2 ASP A 30 20.723 -7.142 -16.769 1.00 11.35 O ATOM 0 H ASP A 30 23.849 -8.054 -15.374 1.00 15.24 H new ATOM 0 HA ASP A 30 24.141 -5.153 -15.363 1.00 40.31 H new ATOM 0 HB2 ASP A 30 21.623 -5.072 -14.662 1.00 24.43 H new ATOM 0 HB3 ASP A 30 22.036 -5.087 -16.365 1.00 24.43 H new ATOM 486 N LYS A 31 24.768 -6.820 -13.188 1.00 20.21 N ATOM 487 CA LYS A 31 25.015 -7.107 -11.780 1.00 4.32 C ATOM 488 C LYS A 31 25.569 -5.879 -11.064 1.00 14.23 C ATOM 489 O LYS A 31 25.447 -5.752 -9.845 1.00 70.33 O ATOM 490 CB LYS A 31 25.993 -8.275 -11.640 1.00 64.52 C ATOM 491 CG LYS A 31 27.400 -7.951 -12.112 1.00 62.00 C ATOM 492 CD LYS A 31 28.258 -7.413 -10.979 1.00 41.43 C ATOM 493 CE LYS A 31 29.065 -6.200 -11.419 1.00 33.33 C ATOM 494 NZ LYS A 31 30.469 -6.562 -11.758 1.00 51.21 N ATOM 0 H LYS A 31 25.525 -7.097 -13.814 1.00 20.21 H new ATOM 0 HA LYS A 31 24.066 -7.379 -11.319 1.00 4.32 H new ATOM 0 HB2 LYS A 31 26.031 -8.582 -10.595 1.00 64.52 H new ATOM 0 HB3 LYS A 31 25.615 -9.125 -12.209 1.00 64.52 H new ATOM 0 HG2 LYS A 31 27.862 -8.848 -12.525 1.00 62.00 H new ATOM 0 HG3 LYS A 31 27.355 -7.216 -12.916 1.00 62.00 H new ATOM 0 HD2 LYS A 31 27.622 -7.142 -10.136 1.00 41.43 H new ATOM 0 HD3 LYS A 31 28.934 -8.194 -10.630 1.00 41.43 H new ATOM 0 HE2 LYS A 31 28.589 -5.742 -12.286 1.00 33.33 H new ATOM 0 HE3 LYS A 31 29.064 -5.455 -10.623 1.00 33.33 H new ATOM 0 HZ1 LYS A 31 30.986 -5.709 -12.053 1.00 51.21 H new ATOM 0 HZ2 LYS A 31 30.932 -6.976 -10.924 1.00 51.21 H new ATOM 0 HZ3 LYS A 31 30.471 -7.254 -12.534 1.00 51.21 H new ATOM 508 N TRP A 32 26.174 -4.977 -11.828 1.00 25.32 N ATOM 509 CA TRP A 32 26.745 -3.758 -11.265 1.00 71.43 C ATOM 510 C TRP A 32 25.653 -2.857 -10.699 1.00 61.40 C ATOM 511 O TRP A 32 25.846 -2.197 -9.678 1.00 21.53 O ATOM 512 CB TRP A 32 27.543 -3.005 -12.331 1.00 30.40 C ATOM 513 CG TRP A 32 26.755 -2.723 -13.574 1.00 51.21 C ATOM 514 CD1 TRP A 32 26.676 -3.506 -14.690 1.00 44.44 C ATOM 515 CD2 TRP A 32 25.936 -1.576 -13.827 1.00 73.23 C ATOM 516 NE1 TRP A 32 25.858 -2.915 -15.622 1.00 52.45 N ATOM 517 CE2 TRP A 32 25.390 -1.731 -15.117 1.00 2.52 C ATOM 518 CE3 TRP A 32 25.608 -0.435 -13.090 1.00 22.43 C ATOM 519 CZ2 TRP A 32 24.538 -0.786 -15.682 1.00 53.10 C ATOM 520 CZ3 TRP A 32 24.762 0.501 -13.652 1.00 43.42 C ATOM 521 CH2 TRP A 32 24.234 0.321 -14.938 1.00 1.44 C ATOM 0 H TRP A 32 26.282 -5.066 -12.838 1.00 25.32 H new ATOM 0 HA TRP A 32 27.414 -4.041 -10.452 1.00 71.43 H new ATOM 0 HB2 TRP A 32 27.897 -2.063 -11.912 1.00 30.40 H new ATOM 0 HB3 TRP A 32 28.426 -3.588 -12.593 1.00 30.40 H new ATOM 0 HD1 TRP A 32 27.182 -4.451 -14.821 1.00 44.44 H new ATOM 0 HE1 TRP A 32 25.635 -3.296 -16.541 1.00 52.45 H new ATOM 0 HE3 TRP A 32 26.009 -0.288 -12.098 1.00 22.43 H new ATOM 0 HZ2 TRP A 32 24.131 -0.922 -16.673 1.00 53.10 H new ATOM 0 HZ3 TRP A 32 24.503 1.387 -13.091 1.00 43.42 H new ATOM 0 HH2 TRP A 32 23.574 1.071 -15.349 1.00 1.44 H new ATOM 532 N LYS A 33 24.505 -2.834 -11.368 1.00 2.11 N ATOM 533 CA LYS A 33 23.381 -2.015 -10.931 1.00 10.13 C ATOM 534 C LYS A 33 22.634 -2.685 -9.782 1.00 75.24 C ATOM 535 O LYS A 33 21.924 -2.027 -9.023 1.00 4.40 O ATOM 536 CB LYS A 33 22.424 -1.762 -12.098 1.00 13.34 C ATOM 537 CG LYS A 33 21.966 -3.031 -12.795 1.00 41.13 C ATOM 538 CD LYS A 33 20.898 -2.741 -13.837 1.00 5.22 C ATOM 539 CE LYS A 33 19.695 -3.656 -13.671 1.00 12.30 C ATOM 540 NZ LYS A 33 18.540 -2.946 -13.054 1.00 72.41 N ATOM 0 H LYS A 33 24.329 -3.374 -12.215 1.00 2.11 H new ATOM 0 HA LYS A 33 23.774 -1.061 -10.578 1.00 10.13 H new ATOM 0 HB2 LYS A 33 21.550 -1.224 -11.730 1.00 13.34 H new ATOM 0 HB3 LYS A 33 22.914 -1.115 -12.825 1.00 13.34 H new ATOM 0 HG2 LYS A 33 22.819 -3.513 -13.272 1.00 41.13 H new ATOM 0 HG3 LYS A 33 21.575 -3.732 -12.057 1.00 41.13 H new ATOM 0 HD2 LYS A 33 20.580 -1.702 -13.754 1.00 5.22 H new ATOM 0 HD3 LYS A 33 21.318 -2.868 -14.835 1.00 5.22 H new ATOM 0 HE2 LYS A 33 19.401 -4.050 -14.644 1.00 12.30 H new ATOM 0 HE3 LYS A 33 19.970 -4.509 -13.051 1.00 12.30 H new ATOM 0 HZ1 LYS A 33 17.740 -3.603 -12.958 1.00 72.41 H new ATOM 0 HZ2 LYS A 33 18.812 -2.591 -12.115 1.00 72.41 H new ATOM 0 HZ3 LYS A 33 18.261 -2.147 -13.658 1.00 72.41 H new ATOM 554 N ASN A 34 22.799 -3.998 -9.661 1.00 72.44 N ATOM 555 CA ASN A 34 22.140 -4.757 -8.605 1.00 20.55 C ATOM 556 C ASN A 34 22.972 -4.744 -7.326 1.00 12.14 C ATOM 557 O ASN A 34 22.607 -5.369 -6.329 1.00 53.43 O ATOM 558 CB ASN A 34 21.902 -6.200 -9.056 1.00 41.23 C ATOM 559 CG ASN A 34 20.506 -6.409 -9.611 1.00 64.11 C ATOM 560 OD1 ASN A 34 19.837 -7.389 -9.284 1.00 13.24 O ATOM 561 ND2 ASN A 34 20.061 -5.487 -10.456 1.00 44.34 N ATOM 0 H ASN A 34 23.383 -4.558 -10.281 1.00 72.44 H new ATOM 0 HA ASN A 34 21.179 -4.285 -8.399 1.00 20.55 H new ATOM 0 HB2 ASN A 34 22.636 -6.466 -9.817 1.00 41.23 H new ATOM 0 HB3 ASN A 34 22.059 -6.872 -8.212 1.00 41.23 H new ATOM 0 HD21 ASN A 34 19.130 -5.575 -10.863 1.00 44.34 H new ATOM 0 HD22 ASN A 34 20.650 -4.691 -10.699 1.00 44.34 H new ATOM 568 N ILE A 35 24.090 -4.028 -7.362 1.00 3.35 N ATOM 569 CA ILE A 35 24.973 -3.931 -6.205 1.00 74.43 C ATOM 570 C ILE A 35 24.307 -3.163 -5.069 1.00 5.33 C ATOM 571 O ILE A 35 23.205 -2.637 -5.222 1.00 50.22 O ATOM 572 CB ILE A 35 26.302 -3.243 -6.567 1.00 53.51 C ATOM 573 CG1 ILE A 35 27.020 -4.020 -7.671 1.00 65.43 C ATOM 574 CG2 ILE A 35 27.187 -3.120 -5.336 1.00 10.31 C ATOM 575 CD1 ILE A 35 27.442 -5.412 -7.254 1.00 12.00 C ATOM 0 H ILE A 35 24.407 -3.506 -8.179 1.00 3.35 H new ATOM 0 HA ILE A 35 25.179 -4.950 -5.879 1.00 74.43 H new ATOM 0 HB ILE A 35 26.086 -2.241 -6.937 1.00 53.51 H new ATOM 0 HG12 ILE A 35 26.364 -4.093 -8.539 1.00 65.43 H new ATOM 0 HG13 ILE A 35 27.901 -3.460 -7.984 1.00 65.43 H new ATOM 0 HG21 ILE A 35 28.123 -2.632 -5.608 1.00 10.31 H new ATOM 0 HG22 ILE A 35 26.675 -2.527 -4.578 1.00 10.31 H new ATOM 0 HG23 ILE A 35 27.398 -4.113 -4.939 1.00 10.31 H new ATOM 0 HD11 ILE A 35 27.945 -5.904 -8.086 1.00 12.00 H new ATOM 0 HD12 ILE A 35 28.123 -5.347 -6.406 1.00 12.00 H new ATOM 0 HD13 ILE A 35 26.562 -5.989 -6.969 1.00 12.00 H new TER 587 ILE A 35