USER MOD reduce.3.24.130724 H: found=0, std=0, add=305, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 308 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 29 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0524) USER MOD Single : A 30 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0648) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 3.460 0.188 2.963 1.00 13.00 N ATOM 2 CA GLY A 26 3.297 0.195 1.483 1.00 45.03 C ATOM 3 C GLY A 26 3.636 -1.143 0.855 1.00 64.22 C ATOM 4 O GLY A 26 4.666 -1.739 1.168 1.00 31.40 O ATOM 0 HA2 GLY A 26 2.269 0.459 1.235 1.00 45.03 H new ATOM 0 HA3 GLY A 26 3.936 0.967 1.054 1.00 45.03 H new ATOM 10 N GLY A 27 2.767 -1.614 -0.034 1.00 22.32 N ATOM 11 CA GLY A 27 2.997 -2.886 -0.693 1.00 14.44 C ATOM 12 C GLY A 27 4.084 -2.807 -1.749 1.00 11.52 C ATOM 13 O GLY A 27 4.688 -3.820 -2.102 1.00 24.42 O ATOM 0 H GLY A 27 1.908 -1.138 -0.309 1.00 22.32 H new ATOM 0 HA2 GLY A 27 3.273 -3.633 0.052 1.00 14.44 H new ATOM 0 HA3 GLY A 27 2.070 -3.224 -1.156 1.00 14.44 H new ATOM 17 N LEU A 28 4.334 -1.602 -2.254 1.00 21.01 N ATOM 18 CA LEU A 28 5.357 -1.393 -3.280 1.00 5.44 C ATOM 19 C LEU A 28 6.659 -2.078 -2.898 1.00 41.42 C ATOM 20 O LEU A 28 7.123 -2.990 -3.580 1.00 74.33 O ATOM 21 CB LEU A 28 5.612 0.103 -3.469 1.00 11.23 C ATOM 22 CG LEU A 28 5.487 0.955 -2.201 1.00 15.14 C ATOM 23 CD1 LEU A 28 6.579 2.013 -2.156 1.00 64.42 C ATOM 24 CD2 LEU A 28 4.112 1.599 -2.126 1.00 64.24 C ATOM 0 H LEU A 28 3.843 -0.754 -1.971 1.00 21.01 H new ATOM 0 HA LEU A 28 4.992 -1.826 -4.212 1.00 5.44 H new ATOM 0 HB2 LEU A 28 6.614 0.235 -3.878 1.00 11.23 H new ATOM 0 HB3 LEU A 28 4.911 0.483 -4.213 1.00 11.23 H new ATOM 0 HG LEU A 28 5.608 0.304 -1.336 1.00 15.14 H new ATOM 0 HD11 LEU A 28 6.473 2.607 -1.248 1.00 64.42 H new ATOM 0 HD12 LEU A 28 7.555 1.529 -2.160 1.00 64.42 H new ATOM 0 HD13 LEU A 28 6.492 2.663 -3.027 1.00 64.42 H new ATOM 0 HD21 LEU A 28 4.041 2.200 -1.220 1.00 64.24 H new ATOM 0 HD22 LEU A 28 3.961 2.237 -2.997 1.00 64.24 H new ATOM 0 HD23 LEU A 28 3.347 0.823 -2.107 1.00 64.24 H new ATOM 36 N LYS A 29 7.228 -1.636 -1.788 1.00 31.30 N ATOM 37 CA LYS A 29 8.467 -2.210 -1.288 1.00 15.24 C ATOM 38 C LYS A 29 8.250 -3.671 -0.915 1.00 31.14 C ATOM 39 O LYS A 29 9.189 -4.468 -0.897 1.00 22.43 O ATOM 40 CB LYS A 29 8.967 -1.427 -0.072 1.00 71.14 C ATOM 41 CG LYS A 29 7.941 -1.318 1.045 1.00 74.55 C ATOM 42 CD LYS A 29 8.014 0.033 1.741 1.00 21.41 C ATOM 43 CE LYS A 29 8.311 -0.118 3.225 1.00 44.22 C ATOM 44 NZ LYS A 29 9.663 -0.698 3.463 1.00 65.04 N ATOM 0 H LYS A 29 6.851 -0.881 -1.215 1.00 31.30 H new ATOM 0 HA LYS A 29 9.221 -2.151 -2.073 1.00 15.24 H new ATOM 0 HB2 LYS A 29 9.865 -1.909 0.316 1.00 71.14 H new ATOM 0 HB3 LYS A 29 9.255 -0.425 -0.389 1.00 71.14 H new ATOM 0 HG2 LYS A 29 6.941 -1.464 0.637 1.00 74.55 H new ATOM 0 HG3 LYS A 29 8.108 -2.112 1.772 1.00 74.55 H new ATOM 0 HD2 LYS A 29 8.788 0.642 1.274 1.00 21.41 H new ATOM 0 HD3 LYS A 29 7.070 0.562 1.610 1.00 21.41 H new ATOM 0 HE2 LYS A 29 8.243 0.856 3.710 1.00 44.22 H new ATOM 0 HE3 LYS A 29 7.556 -0.756 3.684 1.00 44.22 H new ATOM 0 HZ1 LYS A 29 9.926 -0.568 4.461 1.00 65.04 H new ATOM 0 HZ2 LYS A 29 9.650 -1.713 3.237 1.00 65.04 H new ATOM 0 HZ3 LYS A 29 10.358 -0.218 2.857 1.00 65.04 H new ATOM 58 N LYS A 30 6.997 -4.016 -0.627 1.00 73.24 N ATOM 59 CA LYS A 30 6.645 -5.382 -0.262 1.00 54.31 C ATOM 60 C LYS A 30 6.746 -6.305 -1.472 1.00 74.03 C ATOM 61 O LYS A 30 7.290 -7.406 -1.381 1.00 4.52 O ATOM 62 CB LYS A 30 5.227 -5.427 0.313 1.00 65.40 C ATOM 63 CG LYS A 30 5.077 -6.382 1.486 1.00 70.30 C ATOM 64 CD LYS A 30 3.687 -6.297 2.099 1.00 4.04 C ATOM 65 CE LYS A 30 3.160 -7.672 2.478 1.00 73.31 C ATOM 66 NZ LYS A 30 2.421 -8.314 1.356 1.00 74.12 N ATOM 0 H LYS A 30 6.210 -3.367 -0.640 1.00 73.24 H new ATOM 0 HA LYS A 30 7.348 -5.726 0.497 1.00 54.31 H new ATOM 0 HB2 LYS A 30 4.941 -4.425 0.632 1.00 65.40 H new ATOM 0 HB3 LYS A 30 4.533 -5.721 -0.475 1.00 65.40 H new ATOM 0 HG2 LYS A 30 5.267 -7.402 1.153 1.00 70.30 H new ATOM 0 HG3 LYS A 30 5.825 -6.150 2.244 1.00 70.30 H new ATOM 0 HD2 LYS A 30 3.717 -5.661 2.984 1.00 4.04 H new ATOM 0 HD3 LYS A 30 3.004 -5.827 1.391 1.00 4.04 H new ATOM 0 HE2 LYS A 30 3.992 -8.310 2.776 1.00 73.31 H new ATOM 0 HE3 LYS A 30 2.501 -7.583 3.342 1.00 73.31 H new ATOM 0 HZ1 LYS A 30 2.079 -9.249 1.656 1.00 74.12 H new ATOM 0 HZ2 LYS A 30 1.612 -7.719 1.088 1.00 74.12 H new ATOM 0 HZ3 LYS A 30 3.056 -8.423 0.540 1.00 74.12 H new ATOM 80 N LEU A 31 6.221 -5.848 -2.604 1.00 60.14 N ATOM 81 CA LEU A 31 6.254 -6.630 -3.833 1.00 3.21 C ATOM 82 C LEU A 31 7.600 -6.480 -4.535 1.00 42.53 C ATOM 83 O LEU A 31 8.126 -7.437 -5.104 1.00 64.33 O ATOM 84 CB LEU A 31 5.124 -6.195 -4.770 1.00 63.02 C ATOM 85 CG LEU A 31 5.122 -6.868 -6.144 1.00 11.42 C ATOM 86 CD1 LEU A 31 4.911 -8.368 -6.004 1.00 2.33 C ATOM 87 CD2 LEU A 31 4.051 -6.258 -7.034 1.00 35.14 C ATOM 0 H LEU A 31 5.767 -4.939 -2.695 1.00 60.14 H new ATOM 0 HA LEU A 31 6.115 -7.679 -3.572 1.00 3.21 H new ATOM 0 HB2 LEU A 31 4.171 -6.398 -4.282 1.00 63.02 H new ATOM 0 HB3 LEU A 31 5.186 -5.116 -4.912 1.00 63.02 H new ATOM 0 HG LEU A 31 6.093 -6.701 -6.611 1.00 11.42 H new ATOM 0 HD11 LEU A 31 4.913 -8.829 -6.992 1.00 2.33 H new ATOM 0 HD12 LEU A 31 5.715 -8.794 -5.403 1.00 2.33 H new ATOM 0 HD13 LEU A 31 3.954 -8.557 -5.517 1.00 2.33 H new ATOM 0 HD21 LEU A 31 4.064 -6.749 -8.007 1.00 35.14 H new ATOM 0 HD22 LEU A 31 3.073 -6.394 -6.572 1.00 35.14 H new ATOM 0 HD23 LEU A 31 4.247 -5.193 -7.162 1.00 35.14 H new ATOM 99 N GLY A 32 8.151 -5.272 -4.490 1.00 44.35 N ATOM 100 CA GLY A 32 9.430 -5.014 -5.125 1.00 73.12 C ATOM 101 C GLY A 32 10.548 -5.870 -4.559 1.00 33.14 C ATOM 102 O GLY A 32 11.568 -6.078 -5.216 1.00 12.23 O ATOM 0 H GLY A 32 7.734 -4.466 -4.024 1.00 44.35 H new ATOM 0 HA2 GLY A 32 9.343 -5.198 -6.196 1.00 73.12 H new ATOM 0 HA3 GLY A 32 9.686 -3.962 -5.003 1.00 73.12 H new ATOM 106 N LYS A 33 10.360 -6.363 -3.339 1.00 73.24 N ATOM 107 CA LYS A 33 11.365 -7.197 -2.690 1.00 10.34 C ATOM 108 C LYS A 33 11.078 -8.678 -2.920 1.00 11.43 C ATOM 109 O LYS A 33 11.997 -9.493 -2.996 1.00 23.34 O ATOM 110 CB LYS A 33 11.413 -6.899 -1.189 1.00 1.34 C ATOM 111 CG LYS A 33 12.754 -6.362 -0.717 1.00 14.04 C ATOM 112 CD LYS A 33 12.631 -5.664 0.628 1.00 60.04 C ATOM 113 CE LYS A 33 13.709 -4.606 0.807 1.00 42.23 C ATOM 114 NZ LYS A 33 13.168 -3.362 1.422 1.00 3.43 N ATOM 0 H LYS A 33 9.522 -6.200 -2.781 1.00 73.24 H new ATOM 0 HA LYS A 33 12.334 -6.963 -3.131 1.00 10.34 H new ATOM 0 HB2 LYS A 33 10.635 -6.175 -0.946 1.00 1.34 H new ATOM 0 HB3 LYS A 33 11.182 -7.811 -0.639 1.00 1.34 H new ATOM 0 HG2 LYS A 33 13.469 -7.181 -0.639 1.00 14.04 H new ATOM 0 HG3 LYS A 33 13.148 -5.664 -1.456 1.00 14.04 H new ATOM 0 HD2 LYS A 33 11.648 -5.201 0.710 1.00 60.04 H new ATOM 0 HD3 LYS A 33 12.705 -6.400 1.429 1.00 60.04 H new ATOM 0 HE2 LYS A 33 14.508 -5.003 1.434 1.00 42.23 H new ATOM 0 HE3 LYS A 33 14.151 -4.370 -0.161 1.00 42.23 H new ATOM 0 HZ1 LYS A 33 13.933 -2.666 1.527 1.00 3.43 H new ATOM 0 HZ2 LYS A 33 12.423 -2.969 0.812 1.00 3.43 H new ATOM 0 HZ3 LYS A 33 12.769 -3.582 2.357 1.00 3.43 H new ATOM 128 N LYS A 34 9.798 -9.019 -3.036 1.00 43.21 N ATOM 129 CA LYS A 34 9.395 -10.402 -3.261 1.00 42.11 C ATOM 130 C LYS A 34 9.942 -10.909 -4.589 1.00 12.21 C ATOM 131 O LYS A 34 10.671 -11.900 -4.638 1.00 42.21 O ATOM 132 CB LYS A 34 7.869 -10.519 -3.249 1.00 53.42 C ATOM 133 CG LYS A 34 7.367 -11.950 -3.334 1.00 63.21 C ATOM 134 CD LYS A 34 7.807 -12.768 -2.130 1.00 22.11 C ATOM 135 CE LYS A 34 7.165 -12.263 -0.848 1.00 33.13 C ATOM 136 NZ LYS A 34 6.809 -13.379 0.071 1.00 61.12 N ATOM 0 H LYS A 34 9.024 -8.357 -2.978 1.00 43.21 H new ATOM 0 HA LYS A 34 9.805 -11.013 -2.457 1.00 42.11 H new ATOM 0 HB2 LYS A 34 7.485 -10.062 -2.337 1.00 53.42 H new ATOM 0 HB3 LYS A 34 7.463 -9.950 -4.086 1.00 53.42 H new ATOM 0 HG2 LYS A 34 6.279 -11.952 -3.398 1.00 63.21 H new ATOM 0 HG3 LYS A 34 7.741 -12.414 -4.247 1.00 63.21 H new ATOM 0 HD2 LYS A 34 7.542 -13.814 -2.283 1.00 22.11 H new ATOM 0 HD3 LYS A 34 8.892 -12.725 -2.036 1.00 22.11 H new ATOM 0 HE2 LYS A 34 7.849 -11.581 -0.343 1.00 33.13 H new ATOM 0 HE3 LYS A 34 6.268 -11.693 -1.091 1.00 33.13 H new ATOM 0 HZ1 LYS A 34 6.374 -12.993 0.933 1.00 61.12 H new ATOM 0 HZ2 LYS A 34 6.136 -14.016 -0.401 1.00 61.12 H new ATOM 0 HZ3 LYS A 34 7.668 -13.908 0.324 1.00 61.12 H new ATOM 150 N LEU A 35 9.586 -10.216 -5.663 1.00 61.14 N ATOM 151 CA LEU A 35 10.040 -10.584 -7.000 1.00 11.43 C ATOM 152 C LEU A 35 11.560 -10.554 -7.080 1.00 5.32 C ATOM 153 O LEU A 35 12.193 -11.526 -7.494 1.00 51.34 O ATOM 154 CB LEU A 35 9.455 -9.628 -8.038 1.00 21.10 C ATOM 155 CG LEU A 35 9.717 -10.017 -9.493 1.00 14.51 C ATOM 156 CD1 LEU A 35 9.219 -11.428 -9.766 1.00 10.44 C ATOM 157 CD2 LEU A 35 9.055 -9.023 -10.436 1.00 44.03 C ATOM 0 H LEU A 35 8.983 -9.394 -5.635 1.00 61.14 H new ATOM 0 HA LEU A 35 9.696 -11.597 -7.208 1.00 11.43 H new ATOM 0 HB2 LEU A 35 8.378 -9.562 -7.883 1.00 21.10 H new ATOM 0 HB3 LEU A 35 9.863 -8.632 -7.864 1.00 21.10 H new ATOM 0 HG LEU A 35 10.792 -9.994 -9.669 1.00 14.51 H new ATOM 0 HD11 LEU A 35 9.414 -11.688 -10.807 1.00 10.44 H new ATOM 0 HD12 LEU A 35 9.738 -12.130 -9.113 1.00 10.44 H new ATOM 0 HD13 LEU A 35 8.147 -11.479 -9.574 1.00 10.44 H new ATOM 0 HD21 LEU A 35 9.251 -9.314 -11.468 1.00 44.03 H new ATOM 0 HD22 LEU A 35 7.979 -9.015 -10.259 1.00 44.03 H new ATOM 0 HD23 LEU A 35 9.460 -8.027 -10.257 1.00 44.03 H new ATOM 169 N GLU A 36 12.136 -9.426 -6.682 1.00 11.32 N ATOM 170 CA GLU A 36 13.584 -9.250 -6.706 1.00 65.00 C ATOM 171 C GLU A 36 14.285 -10.395 -5.982 1.00 43.43 C ATOM 172 O GLU A 36 15.314 -10.894 -6.437 1.00 22.14 O ATOM 173 CB GLU A 36 13.965 -7.914 -6.064 1.00 13.24 C ATOM 174 CG GLU A 36 14.242 -6.811 -7.072 1.00 12.53 C ATOM 175 CD GLU A 36 15.599 -6.955 -7.734 1.00 45.44 C ATOM 176 OE1 GLU A 36 16.596 -6.472 -7.157 1.00 44.43 O ATOM 177 OE2 GLU A 36 15.665 -7.551 -8.830 1.00 41.10 O ATOM 0 H GLU A 36 11.620 -8.616 -6.337 1.00 11.32 H new ATOM 0 HA GLU A 36 13.909 -9.252 -7.747 1.00 65.00 H new ATOM 0 HB2 GLU A 36 13.160 -7.596 -5.402 1.00 13.24 H new ATOM 0 HB3 GLU A 36 14.849 -8.058 -5.443 1.00 13.24 H new ATOM 0 HG2 GLU A 36 13.466 -6.819 -7.837 1.00 12.53 H new ATOM 0 HG3 GLU A 36 14.186 -5.844 -6.572 1.00 12.53 H new ATOM 184 N GLY A 37 13.717 -10.808 -4.854 1.00 3.32 N ATOM 185 CA GLY A 37 14.299 -11.893 -4.085 1.00 70.13 C ATOM 186 C GLY A 37 14.469 -13.154 -4.908 1.00 54.22 C ATOM 187 O GLY A 37 15.506 -13.814 -4.837 1.00 3.35 O ATOM 0 H GLY A 37 12.865 -10.411 -4.459 1.00 3.32 H new ATOM 0 HA2 GLY A 37 15.269 -11.581 -3.697 1.00 70.13 H new ATOM 0 HA3 GLY A 37 13.665 -12.106 -3.224 1.00 70.13 H new ATOM 191 N ALA A 38 13.451 -13.486 -5.693 1.00 24.10 N ATOM 192 CA ALA A 38 13.495 -14.671 -6.539 1.00 22.01 C ATOM 193 C ALA A 38 14.461 -14.469 -7.699 1.00 41.32 C ATOM 194 O ALA A 38 15.366 -15.275 -7.915 1.00 64.52 O ATOM 195 CB ALA A 38 12.104 -15.003 -7.057 1.00 4.13 C ATOM 0 H ALA A 38 12.585 -12.951 -5.761 1.00 24.10 H new ATOM 0 HA ALA A 38 13.852 -15.508 -5.939 1.00 22.01 H new ATOM 0 HB1 ALA A 38 12.153 -15.891 -7.688 1.00 4.13 H new ATOM 0 HB2 ALA A 38 11.438 -15.192 -6.215 1.00 4.13 H new ATOM 0 HB3 ALA A 38 11.723 -14.164 -7.640 1.00 4.13 H new ATOM 201 N GLY A 39 14.265 -13.381 -8.437 1.00 61.15 N ATOM 202 CA GLY A 39 15.122 -13.078 -9.566 1.00 44.01 C ATOM 203 C GLY A 39 16.592 -13.119 -9.204 1.00 23.33 C ATOM 204 O GLY A 39 17.434 -13.430 -10.045 1.00 55.10 O ATOM 0 H GLY A 39 13.523 -12.701 -8.271 1.00 61.15 H new ATOM 0 HA2 GLY A 39 14.928 -13.791 -10.367 1.00 44.01 H new ATOM 0 HA3 GLY A 39 14.873 -12.089 -9.952 1.00 44.01 H new ATOM 208 N LYS A 40 16.904 -12.814 -7.947 1.00 54.21 N ATOM 209 CA LYS A 40 18.288 -12.835 -7.493 1.00 43.43 C ATOM 210 C LYS A 40 18.833 -14.257 -7.546 1.00 62.32 C ATOM 211 O LYS A 40 19.801 -14.540 -8.248 1.00 41.11 O ATOM 212 CB LYS A 40 18.409 -12.279 -6.074 1.00 33.12 C ATOM 213 CG LYS A 40 18.247 -10.768 -5.994 1.00 11.04 C ATOM 214 CD LYS A 40 19.379 -10.124 -5.208 1.00 14.02 C ATOM 215 CE LYS A 40 19.852 -8.837 -5.863 1.00 32.34 C ATOM 216 NZ LYS A 40 21.274 -8.537 -5.538 1.00 62.12 N ATOM 0 H LYS A 40 16.224 -12.552 -7.233 1.00 54.21 H new ATOM 0 HA LYS A 40 18.874 -12.201 -8.158 1.00 43.43 H new ATOM 0 HB2 LYS A 40 17.656 -12.750 -5.443 1.00 33.12 H new ATOM 0 HB3 LYS A 40 19.382 -12.553 -5.667 1.00 33.12 H new ATOM 0 HG2 LYS A 40 18.219 -10.351 -7.001 1.00 11.04 H new ATOM 0 HG3 LYS A 40 17.294 -10.528 -5.523 1.00 11.04 H new ATOM 0 HD2 LYS A 40 19.044 -9.914 -4.192 1.00 14.02 H new ATOM 0 HD3 LYS A 40 20.213 -10.822 -5.131 1.00 14.02 H new ATOM 0 HE2 LYS A 40 19.736 -8.916 -6.944 1.00 32.34 H new ATOM 0 HE3 LYS A 40 19.222 -8.010 -5.534 1.00 32.34 H new ATOM 0 HZ1 LYS A 40 21.557 -7.651 -6.004 1.00 62.12 H new ATOM 0 HZ2 LYS A 40 21.381 -8.436 -4.508 1.00 62.12 H new ATOM 0 HZ3 LYS A 40 21.878 -9.314 -5.874 1.00 62.12 H new ATOM 230 N ARG A 41 18.187 -15.158 -6.813 1.00 24.00 N ATOM 231 CA ARG A 41 18.595 -16.557 -6.796 1.00 1.35 C ATOM 232 C ARG A 41 18.598 -17.115 -8.217 1.00 30.33 C ATOM 233 O ARG A 41 19.370 -18.016 -8.546 1.00 54.22 O ATOM 234 CB ARG A 41 17.649 -17.372 -5.905 1.00 64.21 C ATOM 235 CG ARG A 41 17.629 -18.864 -6.213 1.00 2.54 C ATOM 236 CD ARG A 41 16.680 -19.185 -7.359 1.00 2.44 C ATOM 237 NE ARG A 41 16.014 -20.471 -7.171 1.00 4.15 N ATOM 238 CZ ARG A 41 16.594 -21.647 -7.400 1.00 54.54 C ATOM 239 NH1 ARG A 41 17.848 -21.704 -7.828 1.00 33.04 N ATOM 240 NH2 ARG A 41 15.917 -22.771 -7.202 1.00 41.12 N ATOM 0 H ARG A 41 17.381 -14.945 -6.225 1.00 24.00 H new ATOM 0 HA ARG A 41 19.603 -16.628 -6.388 1.00 1.35 H new ATOM 0 HB2 ARG A 41 17.938 -17.232 -4.864 1.00 64.21 H new ATOM 0 HB3 ARG A 41 16.639 -16.977 -6.011 1.00 64.21 H new ATOM 0 HG2 ARG A 41 18.635 -19.197 -6.468 1.00 2.54 H new ATOM 0 HG3 ARG A 41 17.326 -19.416 -5.323 1.00 2.54 H new ATOM 0 HD2 ARG A 41 15.931 -18.397 -7.442 1.00 2.44 H new ATOM 0 HD3 ARG A 41 17.235 -19.197 -8.297 1.00 2.44 H new ATOM 0 HE ARG A 41 15.047 -20.468 -6.845 1.00 4.15 H new ATOM 0 HH11 ARG A 41 18.373 -20.844 -7.983 1.00 33.04 H new ATOM 0 HH12 ARG A 41 18.287 -22.608 -8.002 1.00 33.04 H new ATOM 0 HH21 ARG A 41 14.952 -22.734 -6.874 1.00 41.12 H new ATOM 0 HH22 ARG A 41 16.362 -23.672 -7.378 1.00 41.12 H new ATOM 254 N VAL A 42 17.720 -16.567 -9.049 1.00 53.10 N ATOM 255 CA VAL A 42 17.598 -16.995 -10.435 1.00 51.15 C ATOM 256 C VAL A 42 18.738 -16.451 -11.282 1.00 2.42 C ATOM 257 O VAL A 42 19.366 -17.190 -12.040 1.00 34.24 O ATOM 258 CB VAL A 42 16.262 -16.538 -11.035 1.00 21.12 C ATOM 259 CG1 VAL A 42 16.044 -17.164 -12.403 1.00 62.53 C ATOM 260 CG2 VAL A 42 15.119 -16.876 -10.096 1.00 72.23 C ATOM 0 H VAL A 42 17.078 -15.820 -8.784 1.00 53.10 H new ATOM 0 HA VAL A 42 17.641 -18.084 -10.440 1.00 51.15 H new ATOM 0 HB VAL A 42 16.292 -15.456 -11.163 1.00 21.12 H new ATOM 0 HG11 VAL A 42 15.091 -16.826 -12.810 1.00 62.53 H new ATOM 0 HG12 VAL A 42 16.851 -16.865 -13.073 1.00 62.53 H new ATOM 0 HG13 VAL A 42 16.034 -18.250 -12.309 1.00 62.53 H new ATOM 0 HG21 VAL A 42 14.178 -16.546 -10.535 1.00 72.23 H new ATOM 0 HG22 VAL A 42 15.086 -17.954 -9.936 1.00 72.23 H new ATOM 0 HG23 VAL A 42 15.271 -16.372 -9.142 1.00 72.23 H new ATOM 270 N PHE A 43 19.014 -15.156 -11.145 1.00 12.32 N ATOM 271 CA PHE A 43 20.092 -14.529 -11.898 1.00 63.44 C ATOM 272 C PHE A 43 21.370 -15.346 -11.744 1.00 33.14 C ATOM 273 O PHE A 43 22.110 -15.554 -12.705 1.00 10.11 O ATOM 274 CB PHE A 43 20.291 -13.074 -11.438 1.00 64.33 C ATOM 275 CG PHE A 43 21.497 -12.843 -10.565 1.00 21.13 C ATOM 276 CD1 PHE A 43 22.775 -12.904 -11.094 1.00 74.24 C ATOM 277 CD2 PHE A 43 21.347 -12.562 -9.219 1.00 11.33 C ATOM 278 CE1 PHE A 43 23.881 -12.687 -10.293 1.00 4.43 C ATOM 279 CE2 PHE A 43 22.445 -12.345 -8.412 1.00 35.12 C ATOM 280 CZ PHE A 43 23.715 -12.407 -8.950 1.00 63.21 C ATOM 0 H PHE A 43 18.508 -14.525 -10.523 1.00 12.32 H new ATOM 0 HA PHE A 43 19.829 -14.505 -12.956 1.00 63.44 H new ATOM 0 HB2 PHE A 43 20.372 -12.438 -12.319 1.00 64.33 H new ATOM 0 HB3 PHE A 43 19.401 -12.755 -10.895 1.00 64.33 H new ATOM 0 HD1 PHE A 43 22.909 -13.123 -12.143 1.00 74.24 H new ATOM 0 HD2 PHE A 43 20.356 -12.512 -8.793 1.00 11.33 H new ATOM 0 HE1 PHE A 43 24.873 -12.736 -10.716 1.00 4.43 H new ATOM 0 HE2 PHE A 43 22.311 -12.127 -7.363 1.00 35.12 H new ATOM 0 HZ PHE A 43 24.577 -12.237 -8.322 1.00 63.21 H new ATOM 290 N LYS A 44 21.603 -15.828 -10.527 1.00 11.31 N ATOM 291 CA LYS A 44 22.769 -16.648 -10.241 1.00 42.52 C ATOM 292 C LYS A 44 22.560 -18.050 -10.802 1.00 4.35 C ATOM 293 O LYS A 44 23.513 -18.728 -11.189 1.00 0.33 O ATOM 294 CB LYS A 44 23.024 -16.712 -8.732 1.00 34.32 C ATOM 295 CG LYS A 44 24.199 -15.861 -8.278 1.00 61.23 C ATOM 296 CD LYS A 44 24.593 -16.175 -6.844 1.00 4.43 C ATOM 297 CE LYS A 44 25.298 -14.998 -6.192 1.00 33.04 C ATOM 298 NZ LYS A 44 26.141 -15.424 -5.039 1.00 12.14 N ATOM 0 H LYS A 44 20.997 -15.663 -9.724 1.00 11.31 H new ATOM 0 HA LYS A 44 23.641 -16.199 -10.716 1.00 42.52 H new ATOM 0 HB2 LYS A 44 22.126 -16.388 -8.206 1.00 34.32 H new ATOM 0 HB3 LYS A 44 23.204 -17.748 -8.446 1.00 34.32 H new ATOM 0 HG2 LYS A 44 25.050 -16.033 -8.936 1.00 61.23 H new ATOM 0 HG3 LYS A 44 23.939 -14.806 -8.362 1.00 61.23 H new ATOM 0 HD2 LYS A 44 23.704 -16.432 -6.269 1.00 4.43 H new ATOM 0 HD3 LYS A 44 25.247 -17.047 -6.827 1.00 4.43 H new ATOM 0 HE2 LYS A 44 25.921 -14.494 -6.931 1.00 33.04 H new ATOM 0 HE3 LYS A 44 24.557 -14.274 -5.852 1.00 33.04 H new ATOM 0 HZ1 LYS A 44 26.605 -14.592 -4.622 1.00 12.14 H new ATOM 0 HZ2 LYS A 44 25.543 -15.883 -4.322 1.00 12.14 H new ATOM 0 HZ3 LYS A 44 26.864 -16.095 -5.367 1.00 12.14 H new ATOM 312 N ALA A 45 21.298 -18.473 -10.850 1.00 41.31 N ATOM 313 CA ALA A 45 20.948 -19.784 -11.373 1.00 2.25 C ATOM 314 C ALA A 45 21.331 -19.893 -12.843 1.00 74.01 C ATOM 315 O ALA A 45 21.866 -20.910 -13.284 1.00 51.22 O ATOM 316 CB ALA A 45 19.459 -20.040 -11.192 1.00 62.03 C ATOM 0 H ALA A 45 20.501 -17.922 -10.531 1.00 41.31 H new ATOM 0 HA ALA A 45 21.503 -20.540 -10.817 1.00 2.25 H new ATOM 0 HB1 ALA A 45 19.208 -21.024 -11.587 1.00 62.03 H new ATOM 0 HB2 ALA A 45 19.209 -20.000 -10.132 1.00 62.03 H new ATOM 0 HB3 ALA A 45 18.891 -19.279 -11.727 1.00 62.03 H new ATOM 322 N SER A 46 21.058 -18.831 -13.598 1.00 34.14 N ATOM 323 CA SER A 46 21.380 -18.800 -15.018 1.00 51.40 C ATOM 324 C SER A 46 22.822 -18.358 -15.235 1.00 63.51 C ATOM 325 O SER A 46 23.510 -18.865 -16.120 1.00 2.23 O ATOM 326 CB SER A 46 20.428 -17.859 -15.758 1.00 72.10 C ATOM 327 OG SER A 46 20.624 -17.936 -17.160 1.00 4.24 O ATOM 0 H SER A 46 20.615 -17.982 -13.248 1.00 34.14 H new ATOM 0 HA SER A 46 21.263 -19.808 -15.416 1.00 51.40 H new ATOM 0 HB2 SER A 46 19.397 -18.116 -15.517 1.00 72.10 H new ATOM 0 HB3 SER A 46 20.588 -16.835 -15.421 1.00 72.10 H new ATOM 0 HG SER A 46 20.003 -17.327 -17.611 1.00 4.24 H new ATOM 333 N GLU A 47 23.275 -17.410 -14.418 1.00 52.01 N ATOM 334 CA GLU A 47 24.639 -16.902 -14.519 1.00 44.32 C ATOM 335 C GLU A 47 25.645 -18.045 -14.425 1.00 12.33 C ATOM 336 O GLU A 47 26.703 -18.008 -15.053 1.00 11.41 O ATOM 337 CB GLU A 47 24.911 -15.875 -13.419 1.00 51.44 C ATOM 338 CG GLU A 47 24.684 -14.437 -13.860 1.00 63.03 C ATOM 339 CD GLU A 47 25.836 -13.892 -14.682 1.00 74.53 C ATOM 340 OE1 GLU A 47 26.229 -14.551 -15.667 1.00 40.42 O ATOM 341 OE2 GLU A 47 26.346 -12.804 -14.339 1.00 31.41 O ATOM 0 H GLU A 47 22.718 -16.979 -13.680 1.00 52.01 H new ATOM 0 HA GLU A 47 24.750 -16.416 -15.488 1.00 44.32 H new ATOM 0 HB2 GLU A 47 24.268 -16.090 -12.565 1.00 51.44 H new ATOM 0 HB3 GLU A 47 25.941 -15.984 -13.078 1.00 51.44 H new ATOM 0 HG2 GLU A 47 23.766 -14.381 -14.445 1.00 63.03 H new ATOM 0 HG3 GLU A 47 24.541 -13.809 -12.981 1.00 63.03 H new ATOM 348 N LYS A 48 25.304 -19.060 -13.638 1.00 12.55 N ATOM 349 CA LYS A 48 26.174 -20.215 -13.464 1.00 23.20 C ATOM 350 C LYS A 48 26.223 -21.049 -14.740 1.00 21.43 C ATOM 351 O LYS A 48 27.250 -21.645 -15.064 1.00 73.22 O ATOM 352 CB LYS A 48 25.693 -21.075 -12.294 1.00 72.43 C ATOM 353 CG LYS A 48 26.802 -21.878 -11.634 1.00 2.22 C ATOM 354 CD LYS A 48 26.666 -21.878 -10.119 1.00 63.34 C ATOM 355 CE LYS A 48 27.554 -22.935 -9.482 1.00 55.10 C ATOM 356 NZ LYS A 48 28.866 -22.373 -9.055 1.00 24.43 N ATOM 0 H LYS A 48 24.432 -19.105 -13.111 1.00 12.55 H new ATOM 0 HA LYS A 48 27.179 -19.854 -13.246 1.00 23.20 H new ATOM 0 HB2 LYS A 48 25.228 -20.431 -11.547 1.00 72.43 H new ATOM 0 HB3 LYS A 48 24.922 -21.759 -12.649 1.00 72.43 H new ATOM 0 HG2 LYS A 48 26.778 -22.904 -12.002 1.00 2.22 H new ATOM 0 HG3 LYS A 48 27.770 -21.461 -11.913 1.00 2.22 H new ATOM 0 HD2 LYS A 48 26.930 -20.895 -9.729 1.00 63.34 H new ATOM 0 HD3 LYS A 48 25.627 -22.061 -9.846 1.00 63.34 H new ATOM 0 HE2 LYS A 48 27.045 -23.365 -8.619 1.00 55.10 H new ATOM 0 HE3 LYS A 48 27.720 -23.746 -10.191 1.00 55.10 H new ATOM 0 HZ1 LYS A 48 29.442 -23.125 -8.626 1.00 24.43 H new ATOM 0 HZ2 LYS A 48 29.363 -21.985 -9.882 1.00 24.43 H new ATOM 0 HZ3 LYS A 48 28.710 -21.616 -8.359 1.00 24.43 H new ATOM 370 N ALA A 49 25.108 -21.080 -15.463 1.00 43.13 N ATOM 371 CA ALA A 49 25.031 -21.835 -16.707 1.00 63.42 C ATOM 372 C ALA A 49 25.080 -20.919 -17.918 1.00 41.50 C ATOM 373 O ALA A 49 24.839 -21.364 -19.035 1.00 2.52 O ATOM 374 CB ALA A 49 23.770 -22.675 -16.753 1.00 34.14 C ATOM 0 H ALA A 49 24.249 -20.593 -15.209 1.00 43.13 H new ATOM 0 HA ALA A 49 25.899 -22.494 -16.737 1.00 63.42 H new ATOM 0 HB1 ALA A 49 23.736 -23.229 -17.691 1.00 34.14 H new ATOM 0 HB2 ALA A 49 23.769 -23.375 -15.918 1.00 34.14 H new ATOM 0 HB3 ALA A 49 22.897 -22.026 -16.683 1.00 34.14 H new ATOM 380 N LEU A 50 25.409 -19.643 -17.714 1.00 0.42 N ATOM 381 CA LEU A 50 25.495 -18.719 -18.839 1.00 34.03 C ATOM 382 C LEU A 50 26.454 -19.261 -19.885 1.00 31.30 C ATOM 383 O LEU A 50 26.156 -19.272 -21.071 1.00 34.23 O ATOM 384 CB LEU A 50 25.911 -17.314 -18.391 1.00 5.52 C ATOM 385 CG LEU A 50 26.095 -16.294 -19.515 1.00 53.22 C ATOM 386 CD1 LEU A 50 25.516 -14.945 -19.114 1.00 13.34 C ATOM 387 CD2 LEU A 50 27.569 -16.155 -19.872 1.00 54.25 C ATOM 0 H LEU A 50 25.615 -19.235 -16.802 1.00 0.42 H new ATOM 0 HA LEU A 50 24.502 -18.633 -19.280 1.00 34.03 H new ATOM 0 HB2 LEU A 50 25.159 -16.935 -17.699 1.00 5.52 H new ATOM 0 HB3 LEU A 50 26.846 -17.390 -17.836 1.00 5.52 H new ATOM 0 HG LEU A 50 25.558 -16.651 -20.394 1.00 53.22 H new ATOM 0 HD11 LEU A 50 25.657 -14.233 -19.927 1.00 13.34 H new ATOM 0 HD12 LEU A 50 24.451 -15.053 -18.906 1.00 13.34 H new ATOM 0 HD13 LEU A 50 26.025 -14.582 -18.221 1.00 13.34 H new ATOM 0 HD21 LEU A 50 27.682 -15.425 -20.674 1.00 54.25 H new ATOM 0 HD22 LEU A 50 28.126 -15.821 -18.996 1.00 54.25 H new ATOM 0 HD23 LEU A 50 27.956 -17.119 -20.202 1.00 54.25 H new ATOM 399 N PRO A 51 27.593 -19.782 -19.437 1.00 15.51 N ATOM 400 CA PRO A 51 28.580 -20.397 -20.314 1.00 13.54 C ATOM 401 C PRO A 51 28.010 -21.670 -20.931 1.00 60.44 C ATOM 402 O PRO A 51 28.465 -22.137 -21.975 1.00 32.33 O ATOM 403 CB PRO A 51 29.759 -20.736 -19.388 1.00 43.35 C ATOM 404 CG PRO A 51 29.433 -20.149 -18.050 1.00 51.45 C ATOM 405 CD PRO A 51 27.955 -19.872 -18.030 1.00 33.43 C ATOM 0 HA PRO A 51 28.873 -19.745 -21.137 1.00 13.54 H new ATOM 0 HB2 PRO A 51 29.897 -21.815 -19.315 1.00 43.35 H new ATOM 0 HB3 PRO A 51 30.689 -20.322 -19.777 1.00 43.35 H new ATOM 0 HG2 PRO A 51 29.705 -20.839 -17.251 1.00 51.45 H new ATOM 0 HG3 PRO A 51 29.998 -19.232 -17.885 1.00 51.45 H new ATOM 0 HD2 PRO A 51 27.407 -20.669 -17.527 1.00 33.43 H new ATOM 0 HD3 PRO A 51 27.730 -18.946 -17.500 1.00 33.43 H new ATOM 413 N VAL A 52 27.002 -22.219 -20.255 1.00 12.23 N ATOM 414 CA VAL A 52 26.333 -23.436 -20.688 1.00 41.14 C ATOM 415 C VAL A 52 25.050 -23.124 -21.448 1.00 53.51 C ATOM 416 O VAL A 52 24.509 -23.984 -22.136 1.00 54.04 O ATOM 417 CB VAL A 52 26.017 -24.337 -19.476 1.00 52.24 C ATOM 418 CG1 VAL A 52 25.147 -25.516 -19.869 1.00 3.34 C ATOM 419 CG2 VAL A 52 27.303 -24.811 -18.818 1.00 63.54 C ATOM 0 H VAL A 52 26.628 -21.828 -19.390 1.00 12.23 H new ATOM 0 HA VAL A 52 27.009 -23.963 -21.361 1.00 41.14 H new ATOM 0 HB VAL A 52 25.455 -23.742 -18.756 1.00 52.24 H new ATOM 0 HG11 VAL A 52 24.945 -26.128 -18.990 1.00 3.34 H new ATOM 0 HG12 VAL A 52 24.206 -25.152 -20.282 1.00 3.34 H new ATOM 0 HG13 VAL A 52 25.664 -26.116 -20.618 1.00 3.34 H new ATOM 0 HG21 VAL A 52 27.063 -25.445 -17.965 1.00 63.54 H new ATOM 0 HG22 VAL A 52 27.892 -25.379 -19.538 1.00 63.54 H new ATOM 0 HG23 VAL A 52 27.877 -23.949 -18.479 1.00 63.54 H new ATOM 429 N VAL A 53 24.586 -21.886 -21.335 1.00 53.24 N ATOM 430 CA VAL A 53 23.389 -21.448 -22.033 1.00 52.32 C ATOM 431 C VAL A 53 23.802 -20.641 -23.257 1.00 61.23 C ATOM 432 O VAL A 53 23.096 -20.597 -24.264 1.00 71.20 O ATOM 433 CB VAL A 53 22.466 -20.606 -21.119 1.00 72.40 C ATOM 434 CG1 VAL A 53 22.909 -19.150 -21.070 1.00 43.00 C ATOM 435 CG2 VAL A 53 21.021 -20.714 -21.582 1.00 52.41 C ATOM 0 H VAL A 53 25.025 -21.165 -20.762 1.00 53.24 H new ATOM 0 HA VAL A 53 22.821 -22.327 -22.337 1.00 52.32 H new ATOM 0 HB VAL A 53 22.540 -21.006 -20.108 1.00 72.40 H new ATOM 0 HG11 VAL A 53 22.239 -18.588 -20.420 1.00 43.00 H new ATOM 0 HG12 VAL A 53 23.926 -19.092 -20.681 1.00 43.00 H new ATOM 0 HG13 VAL A 53 22.880 -18.727 -22.074 1.00 43.00 H new ATOM 0 HG21 VAL A 53 20.384 -20.117 -20.929 1.00 52.41 H new ATOM 0 HG22 VAL A 53 20.938 -20.347 -22.605 1.00 52.41 H new ATOM 0 HG23 VAL A 53 20.704 -21.756 -21.544 1.00 52.41 H new ATOM 445 N VAL A 54 24.976 -20.020 -23.154 1.00 1.44 N ATOM 446 CA VAL A 54 25.530 -19.228 -24.234 1.00 3.43 C ATOM 447 C VAL A 54 26.226 -20.119 -25.238 1.00 14.33 C ATOM 448 O VAL A 54 26.096 -19.929 -26.438 1.00 55.25 O ATOM 449 CB VAL A 54 26.543 -18.184 -23.720 1.00 12.42 C ATOM 450 CG1 VAL A 54 25.924 -17.299 -22.649 1.00 4.31 C ATOM 451 CG2 VAL A 54 27.803 -18.862 -23.192 1.00 33.33 C ATOM 0 H VAL A 54 25.562 -20.056 -22.320 1.00 1.44 H new ATOM 0 HA VAL A 54 24.696 -18.707 -24.704 1.00 3.43 H new ATOM 0 HB VAL A 54 26.822 -17.551 -24.562 1.00 12.42 H new ATOM 0 HG11 VAL A 54 26.661 -16.573 -22.306 1.00 4.31 H new ATOM 0 HG12 VAL A 54 25.064 -16.774 -23.064 1.00 4.31 H new ATOM 0 HG13 VAL A 54 25.603 -17.915 -21.809 1.00 4.31 H new ATOM 0 HG21 VAL A 54 28.501 -18.105 -22.836 1.00 33.33 H new ATOM 0 HG22 VAL A 54 27.540 -19.529 -22.371 1.00 33.33 H new ATOM 0 HG23 VAL A 54 28.269 -19.438 -23.992 1.00 33.33 H new ATOM 461 N GLY A 55 26.964 -21.094 -24.734 1.00 52.33 N ATOM 462 CA GLY A 55 27.672 -22.008 -25.605 1.00 51.30 C ATOM 463 C GLY A 55 26.802 -22.501 -26.736 1.00 35.42 C ATOM 464 O GLY A 55 27.290 -22.794 -27.820 1.00 31.35 O ATOM 0 H GLY A 55 27.086 -21.270 -23.737 1.00 52.33 H new ATOM 0 HA2 GLY A 55 28.551 -21.511 -26.014 1.00 51.30 H new ATOM 0 HA3 GLY A 55 28.028 -22.859 -25.025 1.00 51.30 H new ATOM 468 N ILE A 56 25.502 -22.569 -26.486 1.00 74.32 N ATOM 469 CA ILE A 56 24.563 -23.009 -27.517 1.00 44.44 C ATOM 470 C ILE A 56 24.140 -21.819 -28.363 1.00 2.24 C ATOM 471 O ILE A 56 23.962 -21.931 -29.575 1.00 3.55 O ATOM 472 CB ILE A 56 23.303 -23.675 -26.926 1.00 72.00 C ATOM 473 CG1 ILE A 56 23.625 -24.362 -25.602 1.00 21.33 C ATOM 474 CG2 ILE A 56 22.714 -24.668 -27.916 1.00 15.33 C ATOM 475 CD1 ILE A 56 23.305 -23.504 -24.401 1.00 41.34 C ATOM 0 H ILE A 56 25.074 -22.329 -25.592 1.00 74.32 H new ATOM 0 HA ILE A 56 25.080 -23.753 -28.123 1.00 44.44 H new ATOM 0 HB ILE A 56 22.563 -22.899 -26.734 1.00 72.00 H new ATOM 0 HG12 ILE A 56 23.064 -25.294 -25.536 1.00 21.33 H new ATOM 0 HG13 ILE A 56 24.683 -24.625 -25.583 1.00 21.33 H new ATOM 0 HG21 ILE A 56 21.826 -25.129 -27.484 1.00 15.33 H new ATOM 0 HG22 ILE A 56 22.443 -24.148 -28.835 1.00 15.33 H new ATOM 0 HG23 ILE A 56 23.451 -25.439 -28.140 1.00 15.33 H new ATOM 0 HD11 ILE A 56 23.555 -24.046 -23.489 1.00 41.34 H new ATOM 0 HD12 ILE A 56 23.886 -22.583 -24.447 1.00 41.34 H new ATOM 0 HD13 ILE A 56 22.242 -23.262 -24.399 1.00 41.34 H new ATOM 487 N LYS A 57 24.008 -20.672 -27.711 1.00 34.24 N ATOM 488 CA LYS A 57 23.642 -19.446 -28.397 1.00 54.34 C ATOM 489 C LYS A 57 24.863 -18.873 -29.111 1.00 41.44 C ATOM 490 O LYS A 57 24.745 -18.098 -30.058 1.00 52.50 O ATOM 491 CB LYS A 57 23.079 -18.425 -27.405 1.00 60.41 C ATOM 492 CG LYS A 57 21.704 -17.901 -27.788 1.00 53.55 C ATOM 493 CD LYS A 57 21.706 -16.389 -27.952 1.00 64.11 C ATOM 494 CE LYS A 57 21.864 -15.683 -26.616 1.00 2.40 C ATOM 495 NZ LYS A 57 21.930 -14.204 -26.772 1.00 62.21 N ATOM 0 H LYS A 57 24.150 -20.568 -26.706 1.00 34.24 H new ATOM 0 HA LYS A 57 22.870 -19.669 -29.133 1.00 54.34 H new ATOM 0 HB2 LYS A 57 23.022 -18.883 -26.417 1.00 60.41 H new ATOM 0 HB3 LYS A 57 23.770 -17.586 -27.328 1.00 60.41 H new ATOM 0 HG2 LYS A 57 21.383 -18.368 -28.719 1.00 53.55 H new ATOM 0 HG3 LYS A 57 20.980 -18.184 -27.023 1.00 53.55 H new ATOM 0 HD2 LYS A 57 22.518 -16.096 -28.618 1.00 64.11 H new ATOM 0 HD3 LYS A 57 20.776 -16.072 -28.424 1.00 64.11 H new ATOM 0 HE2 LYS A 57 21.027 -15.942 -25.968 1.00 2.40 H new ATOM 0 HE3 LYS A 57 22.770 -16.037 -26.124 1.00 2.40 H new ATOM 0 HZ1 LYS A 57 22.038 -13.761 -25.837 1.00 62.21 H new ATOM 0 HZ2 LYS A 57 22.744 -13.954 -27.370 1.00 62.21 H new ATOM 0 HZ3 LYS A 57 21.055 -13.863 -27.218 1.00 62.21 H new ATOM 509 N ALA A 58 26.045 -19.269 -28.648 1.00 60.54 N ATOM 510 CA ALA A 58 27.286 -18.807 -29.243 1.00 73.22 C ATOM 511 C ALA A 58 27.704 -19.707 -30.401 1.00 24.21 C ATOM 512 O ALA A 58 28.482 -19.305 -31.266 1.00 1.34 O ATOM 513 CB ALA A 58 28.379 -18.735 -28.184 1.00 41.24 C ATOM 0 H ALA A 58 26.165 -19.909 -27.863 1.00 60.54 H new ATOM 0 HA ALA A 58 27.127 -17.806 -29.645 1.00 73.22 H new ATOM 0 HB1 ALA A 58 29.306 -18.387 -28.641 1.00 41.24 H new ATOM 0 HB2 ALA A 58 28.079 -18.042 -27.398 1.00 41.24 H new ATOM 0 HB3 ALA A 58 28.535 -19.725 -27.754 1.00 41.24 H new ATOM 519 N ILE A 59 27.189 -20.932 -30.402 1.00 41.21 N ATOM 520 CA ILE A 59 27.511 -21.903 -31.440 1.00 41.41 C ATOM 521 C ILE A 59 26.441 -21.960 -32.517 1.00 44.54 C ATOM 522 O ILE A 59 26.743 -21.991 -33.710 1.00 11.53 O ATOM 523 CB ILE A 59 27.693 -23.304 -30.835 1.00 35.53 C ATOM 524 CG1 ILE A 59 26.405 -23.793 -30.171 1.00 65.24 C ATOM 525 CG2 ILE A 59 28.823 -23.271 -29.834 1.00 55.34 C ATOM 526 CD1 ILE A 59 25.502 -24.574 -31.100 1.00 53.13 C ATOM 0 H ILE A 59 26.544 -21.277 -29.691 1.00 41.21 H new ATOM 0 HA ILE A 59 28.444 -21.576 -31.899 1.00 41.41 H new ATOM 0 HB ILE A 59 27.935 -24.003 -31.636 1.00 35.53 H new ATOM 0 HG12 ILE A 59 26.662 -24.419 -29.317 1.00 65.24 H new ATOM 0 HG13 ILE A 59 25.857 -22.934 -29.783 1.00 65.24 H new ATOM 0 HG21 ILE A 59 28.956 -24.263 -29.402 1.00 55.34 H new ATOM 0 HG22 ILE A 59 29.743 -22.967 -30.334 1.00 55.34 H new ATOM 0 HG23 ILE A 59 28.587 -22.559 -29.043 1.00 55.34 H new ATOM 0 HD11 ILE A 59 24.609 -24.888 -30.560 1.00 53.13 H new ATOM 0 HD12 ILE A 59 25.214 -23.945 -31.942 1.00 53.13 H new ATOM 0 HD13 ILE A 59 26.031 -25.453 -31.468 1.00 53.13 H new ATOM 538 N GLY A 60 25.196 -21.968 -32.085 1.00 65.44 N ATOM 539 CA GLY A 60 24.090 -22.016 -33.016 1.00 3.25 C ATOM 540 C GLY A 60 23.133 -20.867 -32.808 1.00 10.32 C ATOM 541 O GLY A 60 22.134 -20.745 -33.516 1.00 13.21 O ATOM 0 H GLY A 60 24.927 -21.942 -31.101 1.00 65.44 H new ATOM 0 HA2 GLY A 60 24.472 -21.991 -34.036 1.00 3.25 H new ATOM 0 HA3 GLY A 60 23.557 -22.959 -32.899 1.00 3.25 H new ATOM 545 N LYS A 61 23.442 -20.015 -31.830 1.00 14.13 N ATOM 546 CA LYS A 61 22.591 -18.861 -31.532 1.00 31.23 C ATOM 547 C LYS A 61 21.116 -19.256 -31.481 1.00 32.21 C ATOM 548 O LYS A 61 20.260 -18.351 -31.558 1.00 64.04 O ATOM 549 CB LYS A 61 22.800 -17.765 -32.579 1.00 50.35 C ATOM 550 CG LYS A 61 22.737 -16.358 -32.007 1.00 1.32 C ATOM 551 CD LYS A 61 22.435 -15.330 -33.086 1.00 11.52 C ATOM 552 CE LYS A 61 22.308 -13.932 -32.504 1.00 44.22 C ATOM 553 NZ LYS A 61 21.064 -13.777 -31.699 1.00 12.24 N ATOM 554 OXT LYS A 61 20.833 -20.467 -31.363 1.00 36.55 O ATOM 0 H LYS A 61 24.267 -20.100 -31.236 1.00 14.13 H new ATOM 0 HA LYS A 61 22.876 -18.482 -30.551 1.00 31.23 H new ATOM 0 HB2 LYS A 61 23.769 -17.911 -33.057 1.00 50.35 H new ATOM 0 HB3 LYS A 61 22.042 -17.867 -33.356 1.00 50.35 H new ATOM 0 HG2 LYS A 61 21.969 -16.312 -31.235 1.00 1.32 H new ATOM 0 HG3 LYS A 61 23.686 -16.116 -31.528 1.00 1.32 H new ATOM 0 HD2 LYS A 61 23.227 -15.343 -33.834 1.00 11.52 H new ATOM 0 HD3 LYS A 61 21.510 -15.598 -33.597 1.00 11.52 H new ATOM 0 HE2 LYS A 61 23.175 -13.719 -31.878 1.00 44.22 H new ATOM 0 HE3 LYS A 61 22.311 -13.201 -33.312 1.00 44.22 H new ATOM 0 HZ1 LYS A 61 20.954 -12.782 -31.419 1.00 12.24 H new ATOM 0 HZ2 LYS A 61 20.244 -14.070 -32.268 1.00 12.24 H new ATOM 0 HZ3 LYS A 61 21.125 -14.372 -30.848 1.00 12.24 H new TER 568 LYS A 61