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+ 180:sc= 0 (180deg=0) 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+ 166:sc= 0 (180deg=-0.0611) 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+ -161:sc= -0.0322 (180deg=-0.309) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 2.784 -0.217 1.043 1.00 13.00 N ATOM 2 CA GLY A 26 2.281 -0.463 -0.337 1.00 45.03 C ATOM 3 C GLY A 26 2.757 -1.787 -0.900 1.00 55.42 C ATOM 4 O GLY A 26 3.655 -2.419 -0.344 1.00 45.45 O ATOM 0 HA2 GLY A 26 1.191 -0.445 -0.332 1.00 45.03 H new ATOM 0 HA3 GLY A 26 2.610 0.345 -0.990 1.00 45.03 H new ATOM 10 N GLY A 27 2.154 -2.209 -2.008 1.00 71.23 N ATOM 11 CA GLY A 27 2.537 -3.464 -2.629 1.00 11.22 C ATOM 12 C GLY A 27 3.714 -3.312 -3.573 1.00 25.30 C ATOM 13 O GLY A 27 4.444 -4.271 -3.824 1.00 3.24 O ATOM 0 H GLY A 27 1.408 -1.704 -2.486 1.00 71.23 H new ATOM 0 HA2 GLY A 27 2.789 -4.187 -1.853 1.00 11.22 H new ATOM 0 HA3 GLY A 27 1.686 -3.868 -3.177 1.00 11.22 H new ATOM 17 N LEU A 28 3.900 -2.103 -4.098 1.00 31.02 N ATOM 18 CA LEU A 28 4.999 -1.825 -5.024 1.00 0.15 C ATOM 19 C LEU A 28 6.310 -2.381 -4.493 1.00 53.00 C ATOM 20 O LEU A 28 6.919 -3.263 -5.097 1.00 60.31 O ATOM 21 CB LEU A 28 5.141 -0.317 -5.234 1.00 21.42 C ATOM 22 CG LEU A 28 4.794 0.552 -4.020 1.00 74.33 C ATOM 23 CD1 LEU A 28 5.772 1.711 -3.892 1.00 34.44 C ATOM 24 CD2 LEU A 28 3.366 1.065 -4.122 1.00 52.33 C ATOM 0 H LEU A 28 3.305 -1.299 -3.899 1.00 31.02 H new ATOM 0 HA LEU A 28 4.769 -2.309 -5.973 1.00 0.15 H new ATOM 0 HB2 LEU A 28 6.168 -0.104 -5.530 1.00 21.42 H new ATOM 0 HB3 LEU A 28 4.501 -0.021 -6.066 1.00 21.42 H new ATOM 0 HG LEU A 28 4.875 -0.063 -3.124 1.00 74.33 H new ATOM 0 HD11 LEU A 28 5.508 2.316 -3.024 1.00 34.44 H new ATOM 0 HD12 LEU A 28 6.783 1.322 -3.770 1.00 34.44 H new ATOM 0 HD13 LEU A 28 5.726 2.327 -4.790 1.00 34.44 H new ATOM 0 HD21 LEU A 28 3.137 1.680 -3.252 1.00 52.33 H new ATOM 0 HD22 LEU A 28 3.258 1.663 -5.027 1.00 52.33 H new ATOM 0 HD23 LEU A 28 2.678 0.221 -4.161 1.00 52.33 H new ATOM 36 N LYS A 29 6.722 -1.865 -3.348 1.00 2.21 N ATOM 37 CA LYS A 29 7.949 -2.313 -2.708 1.00 33.53 C ATOM 38 C LYS A 29 7.806 -3.767 -2.271 1.00 44.03 C ATOM 39 O LYS A 29 8.797 -4.483 -2.123 1.00 21.51 O ATOM 40 CB LYS A 29 8.276 -1.428 -1.503 1.00 2.01 C ATOM 41 CG LYS A 29 9.488 -0.535 -1.717 1.00 21.11 C ATOM 42 CD LYS A 29 9.552 0.577 -0.684 1.00 73.00 C ATOM 43 CE LYS A 29 10.930 1.213 -0.634 1.00 52.10 C ATOM 44 NZ LYS A 29 11.102 2.076 0.566 1.00 51.30 N ATOM 0 H LYS A 29 6.224 -1.134 -2.841 1.00 2.21 H new ATOM 0 HA LYS A 29 8.767 -2.237 -3.425 1.00 33.53 H new ATOM 0 HB2 LYS A 29 7.411 -0.805 -1.275 1.00 2.01 H new ATOM 0 HB3 LYS A 29 8.451 -2.062 -0.634 1.00 2.01 H new ATOM 0 HG2 LYS A 29 10.397 -1.135 -1.664 1.00 21.11 H new ATOM 0 HG3 LYS A 29 9.450 -0.102 -2.717 1.00 21.11 H new ATOM 0 HD2 LYS A 29 8.808 1.337 -0.920 1.00 73.00 H new ATOM 0 HD3 LYS A 29 9.299 0.177 0.298 1.00 73.00 H new ATOM 0 HE2 LYS A 29 11.690 0.432 -0.631 1.00 52.10 H new ATOM 0 HE3 LYS A 29 11.088 1.808 -1.534 1.00 52.10 H new ATOM 0 HZ1 LYS A 29 12.056 2.491 0.562 1.00 51.30 H new ATOM 0 HZ2 LYS A 29 10.394 2.837 0.551 1.00 51.30 H new ATOM 0 HZ3 LYS A 29 10.977 1.504 1.426 1.00 51.30 H new ATOM 58 N LYS A 30 6.562 -4.196 -2.073 1.00 44.11 N ATOM 59 CA LYS A 30 6.280 -5.565 -1.661 1.00 54.11 C ATOM 60 C LYS A 30 6.564 -6.540 -2.798 1.00 23.53 C ATOM 61 O LYS A 30 7.008 -7.665 -2.568 1.00 23.40 O ATOM 62 CB LYS A 30 4.821 -5.693 -1.215 1.00 52.14 C ATOM 63 CG LYS A 30 4.635 -6.571 0.013 1.00 62.30 C ATOM 64 CD LYS A 30 3.622 -7.678 -0.237 1.00 43.12 C ATOM 65 CE LYS A 30 2.665 -7.834 0.934 1.00 2.11 C ATOM 66 NZ LYS A 30 3.306 -8.524 2.088 1.00 71.32 N ATOM 0 H LYS A 30 5.733 -3.613 -2.192 1.00 44.11 H new ATOM 0 HA LYS A 30 6.932 -5.811 -0.823 1.00 54.11 H new ATOM 0 HB2 LYS A 30 4.426 -4.699 -1.004 1.00 52.14 H new ATOM 0 HB3 LYS A 30 4.233 -6.102 -2.037 1.00 52.14 H new ATOM 0 HG2 LYS A 30 5.592 -7.010 0.295 1.00 62.30 H new ATOM 0 HG3 LYS A 30 4.305 -5.958 0.852 1.00 62.30 H new ATOM 0 HD2 LYS A 30 3.057 -7.458 -1.143 1.00 43.12 H new ATOM 0 HD3 LYS A 30 4.145 -8.619 -0.408 1.00 43.12 H new ATOM 0 HE2 LYS A 30 2.313 -6.851 1.249 1.00 2.11 H new ATOM 0 HE3 LYS A 30 1.789 -8.399 0.614 1.00 2.11 H new ATOM 0 HZ1 LYS A 30 2.620 -8.610 2.865 1.00 71.32 H new ATOM 0 HZ2 LYS A 30 3.619 -9.472 1.796 1.00 71.32 H new ATOM 0 HZ3 LYS A 30 4.127 -7.972 2.410 1.00 71.32 H new ATOM 80 N LEU A 31 6.305 -6.100 -4.026 1.00 33.42 N ATOM 81 CA LEU A 31 6.534 -6.934 -5.200 1.00 11.50 C ATOM 82 C LEU A 31 7.999 -6.894 -5.621 1.00 44.35 C ATOM 83 O LEU A 31 8.548 -7.889 -6.093 1.00 53.14 O ATOM 84 CB LEU A 31 5.644 -6.474 -6.359 1.00 73.05 C ATOM 85 CG LEU A 31 5.633 -7.396 -7.581 1.00 50.34 C ATOM 86 CD1 LEU A 31 6.918 -7.243 -8.380 1.00 71.54 C ATOM 87 CD2 LEU A 31 5.436 -8.845 -7.159 1.00 4.14 C ATOM 0 H LEU A 31 5.937 -5.172 -4.233 1.00 33.42 H new ATOM 0 HA LEU A 31 6.279 -7.961 -4.940 1.00 11.50 H new ATOM 0 HB2 LEU A 31 4.623 -6.371 -5.993 1.00 73.05 H new ATOM 0 HB3 LEU A 31 5.970 -5.483 -6.675 1.00 73.05 H new ATOM 0 HG LEU A 31 4.797 -7.108 -8.218 1.00 50.34 H new ATOM 0 HD11 LEU A 31 6.890 -7.907 -9.244 1.00 71.54 H new ATOM 0 HD12 LEU A 31 7.016 -6.211 -8.718 1.00 71.54 H new ATOM 0 HD13 LEU A 31 7.770 -7.501 -7.751 1.00 71.54 H new ATOM 0 HD21 LEU A 31 5.431 -9.484 -8.042 1.00 4.14 H new ATOM 0 HD22 LEU A 31 6.249 -9.145 -6.498 1.00 4.14 H new ATOM 0 HD23 LEU A 31 4.486 -8.945 -6.634 1.00 4.14 H new ATOM 99 N GLY A 32 8.625 -5.735 -5.448 1.00 33.01 N ATOM 100 CA GLY A 32 10.020 -5.584 -5.818 1.00 51.40 C ATOM 101 C GLY A 32 10.953 -6.354 -4.902 1.00 1.01 C ATOM 102 O GLY A 32 11.706 -7.216 -5.357 1.00 14.11 O ATOM 0 H GLY A 32 8.192 -4.898 -5.058 1.00 33.01 H new ATOM 0 HA2 GLY A 32 10.159 -5.926 -6.843 1.00 51.40 H new ATOM 0 HA3 GLY A 32 10.286 -4.527 -5.796 1.00 51.40 H new ATOM 106 N LYS A 33 10.905 -6.041 -3.611 1.00 52.31 N ATOM 107 CA LYS A 33 11.755 -6.707 -2.628 1.00 42.43 C ATOM 108 C LYS A 33 11.586 -8.223 -2.692 1.00 51.42 C ATOM 109 O LYS A 33 12.550 -8.972 -2.531 1.00 15.13 O ATOM 110 CB LYS A 33 11.431 -6.203 -1.219 1.00 32.34 C ATOM 111 CG LYS A 33 12.528 -5.341 -0.614 1.00 14.21 C ATOM 112 CD LYS A 33 13.258 -6.069 0.505 1.00 32.01 C ATOM 113 CE LYS A 33 13.648 -5.119 1.625 1.00 60.51 C ATOM 114 NZ LYS A 33 14.013 -5.849 2.871 1.00 64.32 N ATOM 0 H LYS A 33 10.287 -5.330 -3.220 1.00 52.31 H new ATOM 0 HA LYS A 33 12.792 -6.469 -2.863 1.00 42.43 H new ATOM 0 HB2 LYS A 33 10.505 -5.628 -1.252 1.00 32.34 H new ATOM 0 HB3 LYS A 33 11.252 -7.059 -0.568 1.00 32.34 H new ATOM 0 HG2 LYS A 33 13.239 -5.058 -1.390 1.00 14.21 H new ATOM 0 HG3 LYS A 33 12.095 -4.418 -0.227 1.00 14.21 H new ATOM 0 HD2 LYS A 33 12.621 -6.860 0.902 1.00 32.01 H new ATOM 0 HD3 LYS A 33 14.151 -6.549 0.106 1.00 32.01 H new ATOM 0 HE2 LYS A 33 14.490 -4.505 1.304 1.00 60.51 H new ATOM 0 HE3 LYS A 33 12.820 -4.441 1.831 1.00 60.51 H new ATOM 0 HZ1 LYS A 33 14.273 -5.165 3.610 1.00 64.32 H new ATOM 0 HZ2 LYS A 33 13.202 -6.415 3.192 1.00 64.32 H new ATOM 0 HZ3 LYS A 33 14.820 -6.477 2.682 1.00 64.32 H new ATOM 128 N LYS A 34 10.357 -8.669 -2.929 1.00 61.05 N ATOM 129 CA LYS A 34 10.064 -10.095 -3.013 1.00 34.23 C ATOM 130 C LYS A 34 10.769 -10.724 -4.209 1.00 73.43 C ATOM 131 O LYS A 34 11.546 -11.668 -4.060 1.00 21.24 O ATOM 132 CB LYS A 34 8.555 -10.321 -3.118 1.00 23.14 C ATOM 133 CG LYS A 34 8.147 -11.778 -2.972 1.00 32.31 C ATOM 134 CD LYS A 34 6.695 -11.909 -2.544 1.00 2.34 C ATOM 135 CE LYS A 34 6.288 -13.366 -2.393 1.00 1.00 C ATOM 136 NZ LYS A 34 4.840 -13.570 -2.668 1.00 74.20 N ATOM 0 H LYS A 34 9.548 -8.063 -3.066 1.00 61.05 H new ATOM 0 HA LYS A 34 10.433 -10.572 -2.105 1.00 34.23 H new ATOM 0 HB2 LYS A 34 8.054 -9.733 -2.349 1.00 23.14 H new ATOM 0 HB3 LYS A 34 8.206 -9.949 -4.082 1.00 23.14 H new ATOM 0 HG2 LYS A 34 8.296 -12.296 -3.920 1.00 32.31 H new ATOM 0 HG3 LYS A 34 8.789 -12.265 -2.238 1.00 32.31 H new ATOM 0 HD2 LYS A 34 6.545 -11.388 -1.598 1.00 2.34 H new ATOM 0 HD3 LYS A 34 6.053 -11.425 -3.280 1.00 2.34 H new ATOM 0 HE2 LYS A 34 6.877 -13.980 -3.075 1.00 1.00 H new ATOM 0 HE3 LYS A 34 6.516 -13.704 -1.382 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 4.603 -14.576 -2.554 1.00 74.20 H new ATOM 0 HZ2 LYS A 34 4.277 -13.004 -2.001 1.00 74.20 H new ATOM 0 HZ3 LYS A 34 4.626 -13.272 -3.641 1.00 74.20 H new ATOM 150 N LEU A 35 10.491 -10.197 -5.396 1.00 41.21 N ATOM 151 CA LEU A 35 11.095 -10.705 -6.622 1.00 12.12 C ATOM 152 C LEU A 35 12.616 -10.610 -6.564 1.00 34.34 C ATOM 153 O LEU A 35 13.322 -11.532 -6.975 1.00 51.30 O ATOM 154 CB LEU A 35 10.576 -9.924 -7.833 1.00 25.13 C ATOM 155 CG LEU A 35 10.598 -10.681 -9.165 1.00 33.05 C ATOM 156 CD1 LEU A 35 10.468 -9.709 -10.327 1.00 73.44 C ATOM 157 CD2 LEU A 35 11.872 -11.505 -9.304 1.00 15.52 C ATOM 0 H LEU A 35 9.850 -9.416 -5.535 1.00 41.21 H new ATOM 0 HA LEU A 35 10.817 -11.754 -6.723 1.00 12.12 H new ATOM 0 HB2 LEU A 35 9.552 -9.611 -7.630 1.00 25.13 H new ATOM 0 HB3 LEU A 35 11.171 -9.017 -7.941 1.00 25.13 H new ATOM 0 HG LEU A 35 9.749 -11.364 -9.181 1.00 33.05 H new ATOM 0 HD11 LEU A 35 10.485 -10.261 -11.267 1.00 73.44 H new ATOM 0 HD12 LEU A 35 9.527 -9.165 -10.243 1.00 73.44 H new ATOM 0 HD13 LEU A 35 11.298 -9.003 -10.306 1.00 73.44 H new ATOM 0 HD21 LEU A 35 11.862 -12.032 -10.258 1.00 15.52 H new ATOM 0 HD22 LEU A 35 12.738 -10.845 -9.263 1.00 15.52 H new ATOM 0 HD23 LEU A 35 11.928 -12.228 -8.490 1.00 15.52 H new ATOM 169 N GLU A 36 13.115 -9.488 -6.057 1.00 20.32 N ATOM 170 CA GLU A 36 14.553 -9.270 -5.953 1.00 45.41 C ATOM 171 C GLU A 36 15.212 -10.367 -5.123 1.00 51.34 C ATOM 172 O GLU A 36 16.228 -10.937 -5.523 1.00 63.53 O ATOM 173 CB GLU A 36 14.841 -7.899 -5.336 1.00 54.14 C ATOM 174 CG GLU A 36 15.588 -6.958 -6.268 1.00 61.24 C ATOM 175 CD GLU A 36 17.004 -6.677 -5.804 1.00 31.31 C ATOM 176 OE1 GLU A 36 17.199 -6.468 -4.588 1.00 4.43 O ATOM 177 OE2 GLU A 36 17.917 -6.665 -6.656 1.00 1.45 O ATOM 0 H GLU A 36 12.545 -8.716 -5.712 1.00 20.32 H new ATOM 0 HA GLU A 36 14.973 -9.301 -6.958 1.00 45.41 H new ATOM 0 HB2 GLU A 36 13.898 -7.436 -5.044 1.00 54.14 H new ATOM 0 HB3 GLU A 36 15.425 -8.035 -4.426 1.00 54.14 H new ATOM 0 HG2 GLU A 36 15.617 -7.391 -7.268 1.00 61.24 H new ATOM 0 HG3 GLU A 36 15.041 -6.018 -6.343 1.00 61.24 H new ATOM 184 N GLY A 37 14.628 -10.660 -3.966 1.00 13.31 N ATOM 185 CA GLY A 37 15.172 -11.689 -3.098 1.00 21.22 C ATOM 186 C GLY A 37 15.360 -13.011 -3.817 1.00 52.54 C ATOM 187 O GLY A 37 16.426 -13.622 -3.737 1.00 23.32 O ATOM 0 H GLY A 37 13.787 -10.203 -3.613 1.00 13.31 H new ATOM 0 HA2 GLY A 37 16.130 -11.355 -2.700 1.00 21.22 H new ATOM 0 HA3 GLY A 37 14.506 -11.833 -2.247 1.00 21.22 H new ATOM 191 N ALA A 38 14.324 -13.450 -4.523 1.00 1.41 N ATOM 192 CA ALA A 38 14.384 -14.703 -5.263 1.00 72.33 C ATOM 193 C ALA A 38 15.294 -14.567 -6.477 1.00 5.50 C ATOM 194 O ALA A 38 16.155 -15.412 -6.720 1.00 21.10 O ATOM 195 CB ALA A 38 12.988 -15.131 -5.690 1.00 64.22 C ATOM 0 H ALA A 38 13.434 -12.957 -4.598 1.00 1.41 H new ATOM 0 HA ALA A 38 14.799 -15.470 -4.609 1.00 72.33 H new ATOM 0 HB1 ALA A 38 13.048 -16.069 -6.242 1.00 64.22 H new ATOM 0 HB2 ALA A 38 12.364 -15.269 -4.807 1.00 64.22 H new ATOM 0 HB3 ALA A 38 12.551 -14.362 -6.327 1.00 64.22 H new ATOM 201 N GLY A 39 15.098 -13.491 -7.234 1.00 12.23 N ATOM 202 CA GLY A 39 15.906 -13.249 -8.414 1.00 33.41 C ATOM 203 C GLY A 39 17.390 -13.319 -8.125 1.00 62.30 C ATOM 204 O GLY A 39 18.181 -13.664 -9.002 1.00 24.22 O ATOM 0 H GLY A 39 14.390 -12.780 -7.049 1.00 12.23 H new ATOM 0 HA2 GLY A 39 15.653 -13.982 -9.180 1.00 33.41 H new ATOM 0 HA3 GLY A 39 15.664 -12.267 -8.821 1.00 33.41 H new ATOM 208 N LYS A 40 17.773 -12.999 -6.893 1.00 2.32 N ATOM 209 CA LYS A 40 19.177 -13.042 -6.508 1.00 64.21 C ATOM 210 C LYS A 40 19.689 -14.476 -6.561 1.00 43.13 C ATOM 211 O LYS A 40 20.619 -14.792 -7.301 1.00 13.40 O ATOM 212 CB LYS A 40 19.376 -12.465 -5.106 1.00 64.33 C ATOM 213 CG LYS A 40 19.059 -10.981 -5.006 1.00 34.41 C ATOM 214 CD LYS A 40 20.323 -10.134 -5.057 1.00 33.43 C ATOM 215 CE LYS A 40 20.383 -9.151 -3.899 1.00 52.05 C ATOM 216 NZ LYS A 40 20.566 -9.842 -2.592 1.00 43.25 N ATOM 0 H LYS A 40 17.136 -12.710 -6.151 1.00 2.32 H new ATOM 0 HA LYS A 40 19.744 -12.433 -7.212 1.00 64.21 H new ATOM 0 HB2 LYS A 40 18.744 -13.011 -4.405 1.00 64.33 H new ATOM 0 HB3 LYS A 40 20.409 -12.629 -4.798 1.00 64.33 H new ATOM 0 HG2 LYS A 40 18.395 -10.694 -5.821 1.00 34.41 H new ATOM 0 HG3 LYS A 40 18.525 -10.784 -4.076 1.00 34.41 H new ATOM 0 HD2 LYS A 40 21.198 -10.783 -5.030 1.00 33.43 H new ATOM 0 HD3 LYS A 40 20.359 -9.589 -6.000 1.00 33.43 H new ATOM 0 HE2 LYS A 40 21.204 -8.452 -4.058 1.00 52.05 H new ATOM 0 HE3 LYS A 40 19.465 -8.564 -3.874 1.00 52.05 H new ATOM 0 HZ1 LYS A 40 20.837 -9.147 -1.867 1.00 43.25 H new ATOM 0 HZ2 LYS A 40 19.675 -10.302 -2.315 1.00 43.25 H new ATOM 0 HZ3 LYS A 40 21.313 -10.560 -2.681 1.00 43.25 H new ATOM 230 N ARG A 41 19.061 -15.349 -5.784 1.00 3.44 N ATOM 231 CA ARG A 41 19.443 -16.756 -5.761 1.00 64.14 C ATOM 232 C ARG A 41 19.346 -17.350 -7.164 1.00 61.44 C ATOM 233 O ARG A 41 20.059 -18.293 -7.506 1.00 52.44 O ATOM 234 CB ARG A 41 18.538 -17.532 -4.794 1.00 50.44 C ATOM 235 CG ARG A 41 18.505 -19.034 -5.043 1.00 10.11 C ATOM 236 CD ARG A 41 17.497 -19.402 -6.124 1.00 41.23 C ATOM 237 NE ARG A 41 16.882 -20.703 -5.876 1.00 64.42 N ATOM 238 CZ ARG A 41 16.304 -21.445 -6.818 1.00 44.32 C ATOM 239 NH1 ARG A 41 16.249 -21.015 -8.072 1.00 2.13 N ATOM 240 NH2 ARG A 41 15.778 -22.621 -6.504 1.00 25.30 N ATOM 0 H ARG A 41 18.288 -15.110 -5.163 1.00 3.44 H new ATOM 0 HA ARG A 41 20.474 -16.835 -5.417 1.00 64.14 H new ATOM 0 HB2 ARG A 41 18.875 -17.351 -3.773 1.00 50.44 H new ATOM 0 HB3 ARG A 41 17.524 -17.140 -4.869 1.00 50.44 H new ATOM 0 HG2 ARG A 41 19.497 -19.376 -5.338 1.00 10.11 H new ATOM 0 HG3 ARG A 41 18.252 -19.551 -4.118 1.00 10.11 H new ATOM 0 HD2 ARG A 41 16.722 -18.637 -6.173 1.00 41.23 H new ATOM 0 HD3 ARG A 41 17.994 -19.414 -7.094 1.00 41.23 H new ATOM 0 HE ARG A 41 16.896 -21.065 -4.923 1.00 64.42 H new ATOM 0 HH11 ARG A 41 16.651 -20.111 -8.319 1.00 2.13 H new ATOM 0 HH12 ARG A 41 15.805 -21.589 -8.789 1.00 2.13 H new ATOM 0 HH21 ARG A 41 15.816 -22.956 -5.541 1.00 25.30 H new ATOM 0 HH22 ARG A 41 15.335 -23.190 -7.225 1.00 25.30 H new ATOM 254 N VAL A 42 18.444 -16.791 -7.962 1.00 3.10 N ATOM 255 CA VAL A 42 18.224 -17.257 -9.322 1.00 11.22 C ATOM 256 C VAL A 42 19.291 -16.736 -10.273 1.00 54.32 C ATOM 257 O VAL A 42 19.805 -17.482 -11.107 1.00 25.54 O ATOM 258 CB VAL A 42 16.844 -16.824 -9.833 1.00 34.14 C ATOM 259 CG1 VAL A 42 16.526 -17.495 -11.159 1.00 43.41 C ATOM 260 CG2 VAL A 42 15.779 -17.134 -8.797 1.00 32.11 C ATOM 0 H VAL A 42 17.850 -16.009 -7.686 1.00 3.10 H new ATOM 0 HA VAL A 42 18.278 -18.345 -9.295 1.00 11.22 H new ATOM 0 HB VAL A 42 16.857 -15.747 -9.999 1.00 34.14 H new ATOM 0 HG11 VAL A 42 15.543 -17.174 -11.503 1.00 43.41 H new ATOM 0 HG12 VAL A 42 17.278 -17.216 -11.897 1.00 43.41 H new ATOM 0 HG13 VAL A 42 16.529 -18.577 -11.029 1.00 43.41 H new ATOM 0 HG21 VAL A 42 14.804 -16.822 -9.172 1.00 32.11 H new ATOM 0 HG22 VAL A 42 15.765 -18.206 -8.599 1.00 32.11 H new ATOM 0 HG23 VAL A 42 16.002 -16.597 -7.875 1.00 32.11 H new ATOM 270 N PHE A 43 19.629 -15.455 -10.147 1.00 70.43 N ATOM 271 CA PHE A 43 20.644 -14.856 -11.004 1.00 53.34 C ATOM 272 C PHE A 43 21.896 -15.728 -11.009 1.00 75.42 C ATOM 273 O PHE A 43 22.549 -15.892 -12.039 1.00 54.54 O ATOM 274 CB PHE A 43 20.957 -13.420 -10.546 1.00 24.21 C ATOM 275 CG PHE A 43 22.227 -13.266 -9.752 1.00 31.12 C ATOM 276 CD1 PHE A 43 23.463 -13.437 -10.352 1.00 72.22 C ATOM 277 CD2 PHE A 43 22.180 -12.941 -8.409 1.00 64.45 C ATOM 278 CE1 PHE A 43 24.629 -13.290 -9.625 1.00 22.23 C ATOM 279 CE2 PHE A 43 23.340 -12.791 -7.674 1.00 22.42 C ATOM 280 CZ PHE A 43 24.567 -12.966 -8.283 1.00 62.14 C ATOM 0 H PHE A 43 19.218 -14.818 -9.465 1.00 70.43 H new ATOM 0 HA PHE A 43 20.265 -14.798 -12.025 1.00 53.34 H new ATOM 0 HB2 PHE A 43 21.017 -12.779 -11.426 1.00 24.21 H new ATOM 0 HB3 PHE A 43 20.124 -13.057 -9.944 1.00 24.21 H new ATOM 0 HD1 PHE A 43 23.517 -13.688 -11.401 1.00 72.22 H new ATOM 0 HD2 PHE A 43 21.223 -12.802 -7.928 1.00 64.45 H new ATOM 0 HE1 PHE A 43 25.587 -13.428 -10.105 1.00 22.23 H new ATOM 0 HE2 PHE A 43 23.287 -12.537 -6.626 1.00 22.42 H new ATOM 0 HZ PHE A 43 25.476 -12.850 -7.712 1.00 62.14 H new ATOM 290 N LYS A 44 22.205 -16.301 -9.850 1.00 15.22 N ATOM 291 CA LYS A 44 23.357 -17.180 -9.714 1.00 43.40 C ATOM 292 C LYS A 44 23.045 -18.542 -10.323 1.00 13.23 C ATOM 293 O LYS A 44 23.930 -19.223 -10.841 1.00 11.23 O ATOM 294 CB LYS A 44 23.741 -17.333 -8.240 1.00 25.40 C ATOM 295 CG LYS A 44 25.111 -16.764 -7.907 1.00 43.54 C ATOM 296 CD LYS A 44 25.718 -17.447 -6.691 1.00 3.23 C ATOM 297 CE LYS A 44 27.208 -17.691 -6.875 1.00 51.35 C ATOM 298 NZ LYS A 44 27.984 -16.421 -6.854 1.00 10.15 N ATOM 0 H LYS A 44 21.671 -16.171 -8.991 1.00 15.22 H new ATOM 0 HA LYS A 44 24.200 -16.739 -10.246 1.00 43.40 H new ATOM 0 HB2 LYS A 44 22.991 -16.837 -7.624 1.00 25.40 H new ATOM 0 HB3 LYS A 44 23.722 -18.390 -7.976 1.00 25.40 H new ATOM 0 HG2 LYS A 44 25.775 -16.886 -8.763 1.00 43.54 H new ATOM 0 HG3 LYS A 44 25.026 -15.694 -7.720 1.00 43.54 H new ATOM 0 HD2 LYS A 44 25.556 -16.830 -5.807 1.00 3.23 H new ATOM 0 HD3 LYS A 44 25.212 -18.396 -6.515 1.00 3.23 H new ATOM 0 HE2 LYS A 44 27.568 -18.350 -6.085 1.00 51.35 H new ATOM 0 HE3 LYS A 44 27.378 -18.205 -7.821 1.00 51.35 H new ATOM 0 HZ1 LYS A 44 28.995 -16.630 -6.982 1.00 10.15 H new ATOM 0 HZ2 LYS A 44 27.658 -15.802 -7.623 1.00 10.15 H new ATOM 0 HZ3 LYS A 44 27.842 -15.943 -5.941 1.00 10.15 H new ATOM 312 N ALA A 45 21.770 -18.925 -10.264 1.00 50.30 N ATOM 313 CA ALA A 45 21.324 -20.195 -10.816 1.00 41.32 C ATOM 314 C ALA A 45 21.546 -20.229 -12.323 1.00 45.23 C ATOM 315 O ALA A 45 21.973 -21.241 -12.878 1.00 24.31 O ATOM 316 CB ALA A 45 19.855 -20.419 -10.490 1.00 13.12 C ATOM 0 H ALA A 45 21.029 -18.369 -9.837 1.00 50.30 H new ATOM 0 HA ALA A 45 21.909 -20.997 -10.365 1.00 41.32 H new ATOM 0 HB1 ALA A 45 19.531 -21.372 -10.908 1.00 13.12 H new ATOM 0 HB2 ALA A 45 19.720 -20.432 -9.408 1.00 13.12 H new ATOM 0 HB3 ALA A 45 19.260 -19.613 -10.920 1.00 13.12 H new ATOM 322 N SER A 46 21.257 -19.108 -12.978 1.00 74.41 N ATOM 323 CA SER A 46 21.429 -18.998 -14.420 1.00 35.51 C ATOM 324 C SER A 46 22.866 -18.619 -14.758 1.00 43.40 C ATOM 325 O SER A 46 23.419 -19.074 -15.760 1.00 15.31 O ATOM 326 CB SER A 46 20.465 -17.960 -14.994 1.00 13.44 C ATOM 327 OG SER A 46 20.458 -17.998 -16.411 1.00 21.15 O ATOM 0 H SER A 46 20.902 -18.263 -12.531 1.00 74.41 H new ATOM 0 HA SER A 46 21.208 -19.967 -14.867 1.00 35.51 H new ATOM 0 HB2 SER A 46 19.459 -18.146 -14.617 1.00 13.44 H new ATOM 0 HB3 SER A 46 20.753 -16.965 -14.655 1.00 13.44 H new ATOM 0 HG SER A 46 19.832 -17.326 -16.753 1.00 21.15 H new ATOM 333 N GLU A 47 23.467 -17.785 -13.913 1.00 51.45 N ATOM 334 CA GLU A 47 24.843 -17.350 -14.121 1.00 44.43 C ATOM 335 C GLU A 47 25.773 -18.554 -14.215 1.00 21.54 C ATOM 336 O GLU A 47 26.757 -18.536 -14.955 1.00 23.41 O ATOM 337 CB GLU A 47 25.292 -16.431 -12.983 1.00 51.00 C ATOM 338 CG GLU A 47 25.282 -14.956 -13.354 1.00 15.03 C ATOM 339 CD GLU A 47 26.627 -14.475 -13.861 1.00 44.12 C ATOM 340 OE1 GLU A 47 27.578 -14.410 -13.054 1.00 71.03 O ATOM 341 OE2 GLU A 47 26.730 -14.162 -15.066 1.00 74.14 O ATOM 0 H GLU A 47 23.023 -17.398 -13.080 1.00 51.45 H new ATOM 0 HA GLU A 47 24.889 -16.796 -15.058 1.00 44.43 H new ATOM 0 HB2 GLU A 47 24.640 -16.586 -12.123 1.00 51.00 H new ATOM 0 HB3 GLU A 47 26.299 -16.713 -12.675 1.00 51.00 H new ATOM 0 HG2 GLU A 47 24.526 -14.783 -14.120 1.00 15.03 H new ATOM 0 HG3 GLU A 47 24.994 -14.368 -12.483 1.00 15.03 H new ATOM 348 N LYS A 48 25.450 -19.599 -13.461 1.00 51.22 N ATOM 349 CA LYS A 48 26.252 -20.815 -13.458 1.00 12.44 C ATOM 350 C LYS A 48 26.127 -21.548 -14.789 1.00 53.24 C ATOM 351 O LYS A 48 27.067 -22.204 -15.238 1.00 12.30 O ATOM 352 CB LYS A 48 25.824 -21.735 -12.312 1.00 31.21 C ATOM 353 CG LYS A 48 26.981 -22.478 -11.665 1.00 52.30 C ATOM 354 CD LYS A 48 26.489 -23.526 -10.681 1.00 12.52 C ATOM 355 CE LYS A 48 27.536 -23.831 -9.620 1.00 64.23 C ATOM 356 NZ LYS A 48 27.648 -25.290 -9.351 1.00 35.31 N ATOM 0 H LYS A 48 24.638 -19.628 -12.844 1.00 51.22 H new ATOM 0 HA LYS A 48 27.295 -20.533 -13.314 1.00 12.44 H new ATOM 0 HB2 LYS A 48 25.313 -21.143 -11.553 1.00 31.21 H new ATOM 0 HB3 LYS A 48 25.103 -22.460 -12.689 1.00 31.21 H new ATOM 0 HG2 LYS A 48 27.584 -22.957 -12.436 1.00 52.30 H new ATOM 0 HG3 LYS A 48 27.628 -21.768 -11.149 1.00 52.30 H new ATOM 0 HD2 LYS A 48 25.575 -23.175 -10.201 1.00 12.52 H new ATOM 0 HD3 LYS A 48 26.237 -24.440 -11.218 1.00 12.52 H new ATOM 0 HE2 LYS A 48 28.503 -23.447 -9.944 1.00 64.23 H new ATOM 0 HE3 LYS A 48 27.279 -23.311 -8.697 1.00 64.23 H new ATOM 0 HZ1 LYS A 48 28.372 -25.454 -8.623 1.00 35.31 H new ATOM 0 HZ2 LYS A 48 26.732 -25.653 -9.017 1.00 35.31 H new ATOM 0 HZ3 LYS A 48 27.918 -25.784 -10.225 1.00 35.31 H new ATOM 370 N ALA A 49 24.962 -21.430 -15.419 1.00 12.01 N ATOM 371 CA ALA A 49 24.722 -22.080 -16.701 1.00 54.42 C ATOM 372 C ALA A 49 24.727 -21.081 -17.845 1.00 5.03 C ATOM 373 O ALA A 49 24.329 -21.418 -18.955 1.00 31.11 O ATOM 374 CB ALA A 49 23.408 -22.835 -16.686 1.00 23.22 C ATOM 0 H ALA A 49 24.172 -20.892 -15.063 1.00 12.01 H new ATOM 0 HA ALA A 49 25.537 -22.786 -16.860 1.00 54.42 H new ATOM 0 HB1 ALA A 49 23.251 -23.312 -17.654 1.00 23.22 H new ATOM 0 HB2 ALA A 49 23.435 -23.597 -15.907 1.00 23.22 H new ATOM 0 HB3 ALA A 49 22.592 -22.141 -16.487 1.00 23.22 H new ATOM 380 N LEU A 50 25.192 -19.856 -17.596 1.00 50.50 N ATOM 381 CA LEU A 50 25.244 -18.862 -18.660 1.00 65.44 C ATOM 382 C LEU A 50 26.081 -19.390 -19.814 1.00 42.35 C ATOM 383 O LEU A 50 25.697 -19.293 -20.970 1.00 31.52 O ATOM 384 CB LEU A 50 25.786 -17.519 -18.161 1.00 51.50 C ATOM 385 CG LEU A 50 25.982 -16.448 -19.233 1.00 61.44 C ATOM 386 CD1 LEU A 50 25.514 -15.092 -18.725 1.00 54.04 C ATOM 387 CD2 LEU A 50 27.442 -16.381 -19.659 1.00 71.50 C ATOM 0 H LEU A 50 25.530 -19.536 -16.688 1.00 50.50 H new ATOM 0 HA LEU A 50 24.227 -18.683 -19.008 1.00 65.44 H new ATOM 0 HB2 LEU A 50 25.104 -17.130 -17.405 1.00 51.50 H new ATOM 0 HB3 LEU A 50 26.742 -17.694 -17.668 1.00 51.50 H new ATOM 0 HG LEU A 50 25.381 -16.717 -20.101 1.00 61.44 H new ATOM 0 HD11 LEU A 50 25.661 -14.342 -19.502 1.00 54.04 H new ATOM 0 HD12 LEU A 50 24.456 -15.145 -18.468 1.00 54.04 H new ATOM 0 HD13 LEU A 50 26.089 -14.816 -17.841 1.00 54.04 H new ATOM 0 HD21 LEU A 50 27.563 -15.613 -20.423 1.00 71.50 H new ATOM 0 HD22 LEU A 50 28.062 -16.136 -18.797 1.00 71.50 H new ATOM 0 HD23 LEU A 50 27.748 -17.346 -20.063 1.00 71.50 H new ATOM 399 N PRO A 51 27.209 -20.021 -19.492 1.00 42.13 N ATOM 400 CA PRO A 51 28.079 -20.640 -20.484 1.00 72.11 C ATOM 401 C PRO A 51 27.359 -21.808 -21.148 1.00 51.15 C ATOM 402 O PRO A 51 27.672 -22.203 -22.270 1.00 4.11 O ATOM 403 CB PRO A 51 29.284 -21.147 -19.675 1.00 53.50 C ATOM 404 CG PRO A 51 29.113 -20.618 -18.285 1.00 24.33 C ATOM 405 CD PRO A 51 27.666 -20.239 -18.129 1.00 32.14 C ATOM 0 HA PRO A 51 28.372 -19.951 -21.276 1.00 72.11 H new ATOM 0 HB2 PRO A 51 29.320 -22.236 -19.674 1.00 53.50 H new ATOM 0 HB3 PRO A 51 30.220 -20.797 -20.111 1.00 53.50 H new ATOM 0 HG2 PRO A 51 29.395 -21.371 -17.549 1.00 24.33 H new ATOM 0 HG3 PRO A 51 29.757 -19.754 -18.120 1.00 24.33 H new ATOM 0 HD2 PRO A 51 27.097 -21.029 -17.639 1.00 32.14 H new ATOM 0 HD3 PRO A 51 27.552 -19.341 -17.522 1.00 32.14 H new ATOM 413 N VAL A 52 26.381 -22.346 -20.420 1.00 3.50 N ATOM 414 CA VAL A 52 25.576 -23.466 -20.883 1.00 44.13 C ATOM 415 C VAL A 52 24.282 -22.985 -21.530 1.00 51.01 C ATOM 416 O VAL A 52 23.623 -23.737 -22.242 1.00 10.22 O ATOM 417 CB VAL A 52 25.252 -24.415 -19.710 1.00 5.33 C ATOM 418 CG1 VAL A 52 24.250 -25.480 -20.113 1.00 23.22 C ATOM 419 CG2 VAL A 52 26.526 -25.049 -19.172 1.00 3.50 C ATOM 0 H VAL A 52 26.127 -22.013 -19.490 1.00 3.50 H new ATOM 0 HA VAL A 52 26.155 -24.005 -21.633 1.00 44.13 H new ATOM 0 HB VAL A 52 24.796 -23.821 -18.918 1.00 5.33 H new ATOM 0 HG11 VAL A 52 24.047 -26.129 -19.261 1.00 23.22 H new ATOM 0 HG12 VAL A 52 23.324 -25.005 -20.436 1.00 23.22 H new ATOM 0 HG13 VAL A 52 24.658 -26.073 -20.932 1.00 23.22 H new ATOM 0 HG21 VAL A 52 26.280 -25.715 -18.345 1.00 3.50 H new ATOM 0 HG22 VAL A 52 27.012 -25.618 -19.964 1.00 3.50 H new ATOM 0 HG23 VAL A 52 27.200 -24.268 -18.820 1.00 3.50 H new ATOM 429 N VAL A 53 23.942 -21.726 -21.290 1.00 41.34 N ATOM 430 CA VAL A 53 22.752 -21.122 -21.864 1.00 20.12 C ATOM 431 C VAL A 53 23.154 -20.281 -23.065 1.00 2.22 C ATOM 432 O VAL A 53 22.391 -20.114 -24.016 1.00 71.42 O ATOM 433 CB VAL A 53 22.018 -20.236 -20.836 1.00 12.32 C ATOM 434 CG1 VAL A 53 20.786 -19.595 -21.456 1.00 61.34 C ATOM 435 CG2 VAL A 53 21.641 -21.047 -19.606 1.00 20.02 C ATOM 0 H VAL A 53 24.482 -21.099 -20.694 1.00 41.34 H new ATOM 0 HA VAL A 53 22.072 -21.918 -22.168 1.00 20.12 H new ATOM 0 HB VAL A 53 22.695 -19.439 -20.528 1.00 12.32 H new ATOM 0 HG11 VAL A 53 20.285 -18.975 -20.712 1.00 61.34 H new ATOM 0 HG12 VAL A 53 21.085 -18.976 -22.302 1.00 61.34 H new ATOM 0 HG13 VAL A 53 20.104 -20.373 -21.798 1.00 61.34 H new ATOM 0 HG21 VAL A 53 21.124 -20.406 -18.892 1.00 20.02 H new ATOM 0 HG22 VAL A 53 20.985 -21.867 -19.898 1.00 20.02 H new ATOM 0 HG23 VAL A 53 22.543 -21.450 -19.145 1.00 20.02 H new ATOM 445 N VAL A 54 24.381 -19.772 -23.009 1.00 74.42 N ATOM 446 CA VAL A 54 24.934 -18.964 -24.079 1.00 63.22 C ATOM 447 C VAL A 54 25.483 -19.845 -25.177 1.00 5.41 C ATOM 448 O VAL A 54 25.293 -19.569 -26.352 1.00 75.34 O ATOM 449 CB VAL A 54 26.064 -18.045 -23.571 1.00 4.20 C ATOM 450 CG1 VAL A 54 25.590 -17.184 -22.407 1.00 75.43 C ATOM 451 CG2 VAL A 54 27.288 -18.858 -23.168 1.00 40.15 C ATOM 0 H VAL A 54 25.014 -19.910 -22.221 1.00 74.42 H new ATOM 0 HA VAL A 54 24.123 -18.346 -24.465 1.00 63.22 H new ATOM 0 HB VAL A 54 26.346 -17.384 -24.390 1.00 4.20 H new ATOM 0 HG11 VAL A 54 26.407 -16.547 -22.070 1.00 75.43 H new ATOM 0 HG12 VAL A 54 24.755 -16.563 -22.730 1.00 75.43 H new ATOM 0 HG13 VAL A 54 25.268 -17.826 -21.587 1.00 75.43 H new ATOM 0 HG21 VAL A 54 28.070 -18.187 -22.814 1.00 40.15 H new ATOM 0 HG22 VAL A 54 27.018 -19.552 -22.372 1.00 40.15 H new ATOM 0 HG23 VAL A 54 27.653 -19.417 -24.029 1.00 40.15 H new ATOM 461 N GLY A 55 26.164 -20.908 -24.781 1.00 75.05 N ATOM 462 CA GLY A 55 26.732 -21.824 -25.749 1.00 63.40 C ATOM 463 C GLY A 55 25.757 -22.156 -26.851 1.00 53.41 C ATOM 464 O GLY A 55 26.155 -22.416 -27.982 1.00 25.10 O ATOM 0 H GLY A 55 26.334 -21.154 -23.806 1.00 75.05 H new ATOM 0 HA2 GLY A 55 27.631 -21.384 -26.181 1.00 63.40 H new ATOM 0 HA3 GLY A 55 27.036 -22.741 -25.245 1.00 63.40 H new ATOM 468 N ILE A 56 24.471 -22.126 -26.523 1.00 13.34 N ATOM 469 CA ILE A 56 23.433 -22.408 -27.515 1.00 51.52 C ATOM 470 C ILE A 56 23.125 -21.150 -28.310 1.00 64.11 C ATOM 471 O ILE A 56 22.946 -21.195 -29.527 1.00 74.15 O ATOM 472 CB ILE A 56 22.130 -22.925 -26.871 1.00 31.21 C ATOM 473 CG1 ILE A 56 22.435 -23.751 -25.624 1.00 40.02 C ATOM 474 CG2 ILE A 56 21.331 -23.743 -27.874 1.00 2.21 C ATOM 475 CD1 ILE A 56 22.274 -22.965 -24.346 1.00 5.41 C ATOM 0 H ILE A 56 24.121 -21.912 -25.589 1.00 13.34 H new ATOM 0 HA ILE A 56 23.819 -23.191 -28.168 1.00 51.52 H new ATOM 0 HB ILE A 56 21.530 -22.066 -26.571 1.00 31.21 H new ATOM 0 HG12 ILE A 56 21.774 -24.617 -25.598 1.00 40.02 H new ATOM 0 HG13 ILE A 56 23.455 -24.130 -25.686 1.00 40.02 H new ATOM 0 HG21 ILE A 56 20.415 -24.101 -27.404 1.00 2.21 H new ATOM 0 HG22 ILE A 56 21.080 -23.121 -28.733 1.00 2.21 H new ATOM 0 HG23 ILE A 56 21.925 -24.595 -28.205 1.00 2.21 H new ATOM 0 HD11 ILE A 56 22.504 -23.605 -23.494 1.00 5.41 H new ATOM 0 HD12 ILE A 56 22.954 -22.113 -24.355 1.00 5.41 H new ATOM 0 HD13 ILE A 56 21.247 -22.608 -24.265 1.00 5.41 H new ATOM 487 N LYS A 57 23.092 -20.021 -27.614 1.00 62.41 N ATOM 488 CA LYS A 57 22.843 -18.743 -28.258 1.00 13.41 C ATOM 489 C LYS A 57 24.107 -18.277 -28.970 1.00 71.43 C ATOM 490 O LYS A 57 24.051 -17.467 -29.896 1.00 15.34 O ATOM 491 CB LYS A 57 22.397 -17.701 -27.229 1.00 3.35 C ATOM 492 CG LYS A 57 20.893 -17.477 -27.204 1.00 34.23 C ATOM 493 CD LYS A 57 20.551 -16.019 -26.937 1.00 24.10 C ATOM 494 CE LYS A 57 20.513 -15.719 -25.448 1.00 3.33 C ATOM 495 NZ LYS A 57 19.412 -14.778 -25.098 1.00 65.04 N ATOM 0 H LYS A 57 23.235 -19.967 -26.605 1.00 62.41 H new ATOM 0 HA LYS A 57 22.043 -18.863 -28.989 1.00 13.41 H new ATOM 0 HB2 LYS A 57 22.726 -18.016 -26.239 1.00 3.35 H new ATOM 0 HB3 LYS A 57 22.894 -16.755 -27.443 1.00 3.35 H new ATOM 0 HG2 LYS A 57 20.462 -17.784 -28.157 1.00 34.23 H new ATOM 0 HG3 LYS A 57 20.443 -18.104 -26.434 1.00 34.23 H new ATOM 0 HD2 LYS A 57 21.288 -15.377 -27.420 1.00 24.10 H new ATOM 0 HD3 LYS A 57 19.584 -15.784 -27.381 1.00 24.10 H new ATOM 0 HE2 LYS A 57 20.386 -16.649 -24.894 1.00 3.33 H new ATOM 0 HE3 LYS A 57 21.467 -15.292 -25.139 1.00 3.33 H new ATOM 0 HZ1 LYS A 57 19.421 -14.599 -24.074 1.00 65.04 H new ATOM 0 HZ2 LYS A 57 19.547 -13.881 -25.607 1.00 65.04 H new ATOM 0 HZ3 LYS A 57 18.499 -15.196 -25.369 1.00 65.04 H new ATOM 509 N ALA A 58 25.248 -18.810 -28.535 1.00 14.23 N ATOM 510 CA ALA A 58 26.529 -18.470 -29.131 1.00 32.33 C ATOM 511 C ALA A 58 26.794 -19.345 -30.351 1.00 22.33 C ATOM 512 O ALA A 58 27.480 -18.934 -31.289 1.00 14.33 O ATOM 513 CB ALA A 58 27.642 -18.618 -28.103 1.00 43.21 C ATOM 0 H ALA A 58 25.306 -19.481 -27.769 1.00 14.23 H new ATOM 0 HA ALA A 58 26.502 -17.431 -29.458 1.00 32.33 H new ATOM 0 HB1 ALA A 58 28.597 -18.361 -28.561 1.00 43.21 H new ATOM 0 HB2 ALA A 58 27.452 -17.951 -27.262 1.00 43.21 H new ATOM 0 HB3 ALA A 58 27.676 -19.648 -27.749 1.00 43.21 H new ATOM 519 N ILE A 59 26.230 -20.551 -30.337 1.00 13.13 N ATOM 520 CA ILE A 59 26.384 -21.486 -31.446 1.00 34.41 C ATOM 521 C ILE A 59 25.277 -21.286 -32.466 1.00 14.41 C ATOM 522 O ILE A 59 25.526 -21.223 -33.669 1.00 52.35 O ATOM 523 CB ILE A 59 26.379 -22.947 -30.962 1.00 63.30 C ATOM 524 CG1 ILE A 59 25.073 -23.289 -30.247 1.00 51.40 C ATOM 525 CG2 ILE A 59 27.565 -23.184 -30.052 1.00 73.02 C ATOM 526 CD1 ILE A 59 24.007 -23.844 -31.165 1.00 35.22 C ATOM 0 H ILE A 59 25.661 -20.903 -29.567 1.00 13.13 H new ATOM 0 HA ILE A 59 27.349 -21.283 -31.910 1.00 34.41 H new ATOM 0 HB ILE A 59 26.457 -23.601 -31.830 1.00 63.30 H new ATOM 0 HG12 ILE A 59 25.278 -24.016 -29.461 1.00 51.40 H new ATOM 0 HG13 ILE A 59 24.690 -22.392 -29.760 1.00 51.40 H new ATOM 0 HG21 ILE A 59 27.560 -24.219 -29.710 1.00 73.02 H new ATOM 0 HG22 ILE A 59 28.488 -22.987 -30.598 1.00 73.02 H new ATOM 0 HG23 ILE A 59 27.503 -22.517 -29.192 1.00 73.02 H new ATOM 0 HD11 ILE A 59 23.109 -24.064 -30.588 1.00 35.22 H new ATOM 0 HD12 ILE A 59 23.773 -23.110 -31.936 1.00 35.22 H new ATOM 0 HD13 ILE A 59 24.370 -24.759 -31.633 1.00 35.22 H new ATOM 538 N GLY A 60 24.054 -21.157 -31.970 1.00 23.32 N ATOM 539 CA GLY A 60 22.924 -20.930 -32.843 1.00 13.22 C ATOM 540 C GLY A 60 22.727 -19.453 -33.112 1.00 23.43 C ATOM 541 O GLY A 60 21.847 -19.064 -33.879 1.00 24.01 O ATOM 0 H GLY A 60 23.826 -21.206 -30.977 1.00 23.32 H new ATOM 0 HA2 GLY A 60 23.078 -21.456 -33.785 1.00 13.22 H new ATOM 0 HA3 GLY A 60 22.023 -21.343 -32.390 1.00 13.22 H new ATOM 545 N LYS A 61 23.558 -18.628 -32.475 1.00 1.33 N ATOM 546 CA LYS A 61 23.479 -17.182 -32.644 1.00 64.43 C ATOM 547 C LYS A 61 22.100 -16.661 -32.251 1.00 42.13 C ATOM 548 O LYS A 61 21.812 -15.478 -32.534 1.00 61.34 O ATOM 549 CB LYS A 61 23.787 -16.798 -34.092 1.00 64.04 C ATOM 550 CG LYS A 61 24.214 -15.348 -34.261 1.00 65.12 C ATOM 551 CD LYS A 61 25.422 -15.223 -35.176 1.00 3.45 C ATOM 552 CE LYS A 61 26.713 -15.545 -34.441 1.00 3.02 C ATOM 553 NZ LYS A 61 27.044 -14.512 -33.421 1.00 51.12 N ATOM 554 OXT LYS A 61 21.319 -17.439 -31.666 1.00 36.85 O ATOM 0 H LYS A 61 24.292 -18.939 -31.838 1.00 1.33 H new ATOM 0 HA LYS A 61 24.220 -16.725 -31.988 1.00 64.43 H new ATOM 0 HB2 LYS A 61 24.577 -17.447 -34.471 1.00 64.04 H new ATOM 0 HB3 LYS A 61 22.903 -16.981 -34.703 1.00 64.04 H new ATOM 0 HG2 LYS A 61 23.386 -14.770 -34.670 1.00 65.12 H new ATOM 0 HG3 LYS A 61 24.450 -14.922 -33.286 1.00 65.12 H new ATOM 0 HD2 LYS A 61 25.308 -15.897 -36.025 1.00 3.45 H new ATOM 0 HD3 LYS A 61 25.473 -14.211 -35.577 1.00 3.45 H new ATOM 0 HE2 LYS A 61 26.622 -16.517 -33.957 1.00 3.02 H new ATOM 0 HE3 LYS A 61 27.530 -15.621 -35.159 1.00 3.02 H new ATOM 0 HZ1 LYS A 61 28.052 -14.578 -33.174 1.00 51.12 H new ATOM 0 HZ2 LYS A 61 26.843 -13.567 -33.806 1.00 51.12 H new ATOM 0 HZ3 LYS A 61 26.468 -14.668 -32.569 1.00 51.12 H new TER 568 LYS A 61