USER MOD reduce.3.24.130724 H: found=0, std=0, add=305, rem=0, adj=2 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -150:sc=0.000769 (180deg=-0.00961) USER MOD Single : A 46 SER OG : rot 180:sc= -0.36 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 2.835 -0.278 0.845 1.00 13.00 N ATOM 2 CA GLY A 26 2.541 -0.425 -0.606 1.00 45.03 C ATOM 3 C GLY A 26 2.987 -1.766 -1.155 1.00 62.42 C ATOM 4 O GLY A 26 4.043 -2.278 -0.782 1.00 72.41 O ATOM 0 HA2 GLY A 26 1.470 -0.307 -0.770 1.00 45.03 H new ATOM 0 HA3 GLY A 26 3.038 0.373 -1.157 1.00 45.03 H new ATOM 10 N GLY A 27 2.182 -2.336 -2.045 1.00 53.44 N ATOM 11 CA GLY A 27 2.517 -3.620 -2.631 1.00 42.13 C ATOM 12 C GLY A 27 3.574 -3.511 -3.713 1.00 74.31 C ATOM 13 O GLY A 27 4.253 -4.490 -4.024 1.00 4.13 O ATOM 0 H GLY A 27 1.304 -1.932 -2.371 1.00 53.44 H new ATOM 0 HA2 GLY A 27 2.872 -4.291 -1.848 1.00 42.13 H new ATOM 0 HA3 GLY A 27 1.617 -4.069 -3.052 1.00 42.13 H new ATOM 17 N LEU A 28 3.718 -2.318 -4.288 1.00 3.30 N ATOM 18 CA LEU A 28 4.704 -2.089 -5.342 1.00 25.01 C ATOM 19 C LEU A 28 6.059 -2.663 -4.949 1.00 51.10 C ATOM 20 O LEU A 28 6.582 -3.562 -5.607 1.00 11.31 O ATOM 21 CB LEU A 28 4.843 -0.591 -5.621 1.00 73.02 C ATOM 22 CG LEU A 28 5.917 -0.209 -6.646 1.00 3.21 C ATOM 23 CD1 LEU A 28 7.272 -0.068 -5.969 1.00 24.51 C ATOM 24 CD2 LEU A 28 5.985 -1.239 -7.765 1.00 71.55 C ATOM 0 H LEU A 28 3.165 -1.497 -4.042 1.00 3.30 H new ATOM 0 HA LEU A 28 4.358 -2.593 -6.244 1.00 25.01 H new ATOM 0 HB2 LEU A 28 3.882 -0.213 -5.969 1.00 73.02 H new ATOM 0 HB3 LEU A 28 5.064 -0.083 -4.682 1.00 73.02 H new ATOM 0 HG LEU A 28 5.646 0.752 -7.083 1.00 3.21 H new ATOM 0 HD11 LEU A 28 8.023 0.203 -6.711 1.00 24.51 H new ATOM 0 HD12 LEU A 28 7.218 0.709 -5.206 1.00 24.51 H new ATOM 0 HD13 LEU A 28 7.547 -1.015 -5.504 1.00 24.51 H new ATOM 0 HD21 LEU A 28 6.754 -0.948 -8.481 1.00 71.55 H new ATOM 0 HD22 LEU A 28 6.230 -2.215 -7.347 1.00 71.55 H new ATOM 0 HD23 LEU A 28 5.020 -1.292 -8.270 1.00 71.55 H new ATOM 36 N LYS A 29 6.612 -2.144 -3.862 1.00 75.51 N ATOM 37 CA LYS A 29 7.899 -2.611 -3.364 1.00 3.42 C ATOM 38 C LYS A 29 7.824 -4.094 -3.009 1.00 73.30 C ATOM 39 O LYS A 29 8.837 -4.793 -2.992 1.00 2.43 O ATOM 40 CB LYS A 29 8.324 -1.796 -2.139 1.00 52.20 C ATOM 41 CG LYS A 29 9.665 -1.100 -2.307 1.00 51.25 C ATOM 42 CD LYS A 29 9.746 0.162 -1.465 1.00 61.44 C ATOM 43 CE LYS A 29 11.060 0.895 -1.685 1.00 20.41 C ATOM 44 NZ LYS A 29 11.263 1.981 -0.687 1.00 40.04 N ATOM 0 H LYS A 29 6.190 -1.399 -3.308 1.00 75.51 H new ATOM 0 HA LYS A 29 8.643 -2.476 -4.149 1.00 3.42 H new ATOM 0 HB2 LYS A 29 7.560 -1.048 -1.928 1.00 52.20 H new ATOM 0 HB3 LYS A 29 8.372 -2.456 -1.273 1.00 52.20 H new ATOM 0 HG2 LYS A 29 10.468 -1.781 -2.023 1.00 51.25 H new ATOM 0 HG3 LYS A 29 9.817 -0.849 -3.357 1.00 51.25 H new ATOM 0 HD2 LYS A 29 8.914 0.821 -1.714 1.00 61.44 H new ATOM 0 HD3 LYS A 29 9.644 -0.095 -0.411 1.00 61.44 H new ATOM 0 HE2 LYS A 29 11.886 0.186 -1.624 1.00 20.41 H new ATOM 0 HE3 LYS A 29 11.076 1.317 -2.690 1.00 20.41 H new ATOM 0 HZ1 LYS A 29 12.170 2.456 -0.871 1.00 40.04 H new ATOM 0 HZ2 LYS A 29 10.489 2.671 -0.762 1.00 40.04 H new ATOM 0 HZ3 LYS A 29 11.273 1.575 0.270 1.00 40.04 H new ATOM 58 N LYS A 30 6.611 -4.565 -2.730 1.00 3.42 N ATOM 59 CA LYS A 30 6.391 -5.963 -2.378 1.00 14.01 C ATOM 60 C LYS A 30 6.628 -6.871 -3.580 1.00 65.03 C ATOM 61 O LYS A 30 7.212 -7.946 -3.453 1.00 13.11 O ATOM 62 CB LYS A 30 4.967 -6.156 -1.852 1.00 31.22 C ATOM 63 CG LYS A 30 4.851 -7.240 -0.792 1.00 61.14 C ATOM 64 CD LYS A 30 4.256 -6.700 0.500 1.00 61.14 C ATOM 65 CE LYS A 30 2.775 -7.029 0.611 1.00 54.32 C ATOM 66 NZ LYS A 30 1.995 -5.890 1.171 1.00 15.44 N ATOM 0 H LYS A 30 5.764 -3.996 -2.741 1.00 3.42 H new ATOM 0 HA LYS A 30 7.102 -6.233 -1.597 1.00 14.01 H new ATOM 0 HB2 LYS A 30 4.611 -5.213 -1.436 1.00 31.22 H new ATOM 0 HB3 LYS A 30 4.311 -6.404 -2.686 1.00 31.22 H new ATOM 0 HG2 LYS A 30 4.229 -8.052 -1.168 1.00 61.14 H new ATOM 0 HG3 LYS A 30 5.837 -7.660 -0.591 1.00 61.14 H new ATOM 0 HD2 LYS A 30 4.789 -7.123 1.352 1.00 61.14 H new ATOM 0 HD3 LYS A 30 4.394 -5.620 0.542 1.00 61.14 H new ATOM 0 HE2 LYS A 30 2.385 -7.287 -0.374 1.00 54.32 H new ATOM 0 HE3 LYS A 30 2.644 -7.906 1.245 1.00 54.32 H new ATOM 0 HZ1 LYS A 30 0.991 -6.153 1.231 1.00 15.44 H new ATOM 0 HZ2 LYS A 30 2.350 -5.660 2.121 1.00 15.44 H new ATOM 0 HZ3 LYS A 30 2.099 -5.060 0.552 1.00 15.44 H new ATOM 80 N LEU A 31 6.170 -6.428 -4.746 1.00 23.51 N ATOM 81 CA LEU A 31 6.331 -7.199 -5.973 1.00 74.30 C ATOM 82 C LEU A 31 7.772 -7.139 -6.470 1.00 73.41 C ATOM 83 O LEU A 31 8.322 -8.139 -6.931 1.00 62.14 O ATOM 84 CB LEU A 31 5.383 -6.679 -7.056 1.00 35.11 C ATOM 85 CG LEU A 31 5.506 -7.373 -8.413 1.00 63.22 C ATOM 86 CD1 LEU A 31 5.138 -8.844 -8.294 1.00 2.11 C ATOM 87 CD2 LEU A 31 4.626 -6.684 -9.445 1.00 53.45 C ATOM 0 H LEU A 31 5.684 -5.539 -4.867 1.00 23.51 H new ATOM 0 HA LEU A 31 6.085 -8.238 -5.753 1.00 74.30 H new ATOM 0 HB2 LEU A 31 4.358 -6.787 -6.702 1.00 35.11 H new ATOM 0 HB3 LEU A 31 5.563 -5.613 -7.193 1.00 35.11 H new ATOM 0 HG LEU A 31 6.542 -7.304 -8.743 1.00 63.22 H new ATOM 0 HD11 LEU A 31 5.231 -9.322 -9.269 1.00 2.11 H new ATOM 0 HD12 LEU A 31 5.808 -9.331 -7.586 1.00 2.11 H new ATOM 0 HD13 LEU A 31 4.110 -8.935 -7.942 1.00 2.11 H new ATOM 0 HD21 LEU A 31 4.726 -7.191 -10.405 1.00 53.45 H new ATOM 0 HD22 LEU A 31 3.586 -6.723 -9.121 1.00 53.45 H new ATOM 0 HD23 LEU A 31 4.935 -5.644 -9.550 1.00 53.45 H new ATOM 99 N GLY A 32 8.378 -5.959 -6.372 1.00 24.45 N ATOM 100 CA GLY A 32 9.749 -5.792 -6.815 1.00 60.11 C ATOM 101 C GLY A 32 10.731 -6.590 -5.982 1.00 0.41 C ATOM 102 O GLY A 32 11.509 -7.381 -6.515 1.00 34.42 O ATOM 0 H GLY A 32 7.944 -5.117 -5.994 1.00 24.45 H new ATOM 0 HA2 GLY A 32 9.830 -6.098 -7.858 1.00 60.11 H new ATOM 0 HA3 GLY A 32 10.015 -4.736 -6.771 1.00 60.11 H new ATOM 106 N LYS A 33 10.697 -6.381 -4.669 1.00 24.43 N ATOM 107 CA LYS A 33 11.591 -7.087 -3.757 1.00 72.43 C ATOM 108 C LYS A 33 11.421 -8.599 -3.881 1.00 75.11 C ATOM 109 O LYS A 33 12.349 -9.361 -3.611 1.00 3.41 O ATOM 110 CB LYS A 33 11.331 -6.649 -2.315 1.00 40.24 C ATOM 111 CG LYS A 33 12.228 -5.510 -1.854 1.00 31.30 C ATOM 112 CD LYS A 33 13.010 -5.882 -0.603 1.00 42.32 C ATOM 113 CE LYS A 33 14.297 -6.614 -0.949 1.00 50.14 C ATOM 114 NZ LYS A 33 14.613 -7.679 0.043 1.00 15.33 N ATOM 0 H LYS A 33 10.060 -5.728 -4.213 1.00 24.43 H new ATOM 0 HA LYS A 33 12.616 -6.834 -4.028 1.00 72.43 H new ATOM 0 HB2 LYS A 33 10.290 -6.342 -2.219 1.00 40.24 H new ATOM 0 HB3 LYS A 33 11.473 -7.503 -1.653 1.00 40.24 H new ATOM 0 HG2 LYS A 33 12.922 -5.247 -2.652 1.00 31.30 H new ATOM 0 HG3 LYS A 33 11.621 -4.627 -1.655 1.00 31.30 H new ATOM 0 HD2 LYS A 33 13.244 -4.980 -0.037 1.00 42.32 H new ATOM 0 HD3 LYS A 33 12.394 -6.511 0.039 1.00 42.32 H new ATOM 0 HE2 LYS A 33 14.208 -7.057 -1.941 1.00 50.14 H new ATOM 0 HE3 LYS A 33 15.120 -5.901 -0.991 1.00 50.14 H new ATOM 0 HZ1 LYS A 33 15.497 -8.155 -0.228 1.00 15.33 H new ATOM 0 HZ2 LYS A 33 14.723 -7.254 0.986 1.00 15.33 H new ATOM 0 HZ3 LYS A 33 13.839 -8.373 0.065 1.00 15.33 H new ATOM 128 N LYS A 34 10.230 -9.027 -4.291 1.00 73.42 N ATOM 129 CA LYS A 34 9.943 -10.448 -4.450 1.00 12.41 C ATOM 130 C LYS A 34 10.807 -11.058 -5.547 1.00 14.15 C ATOM 131 O LYS A 34 11.553 -12.007 -5.310 1.00 34.31 O ATOM 132 CB LYS A 34 8.463 -10.655 -4.776 1.00 54.42 C ATOM 133 CG LYS A 34 8.033 -12.113 -4.751 1.00 64.33 C ATOM 134 CD LYS A 34 6.526 -12.247 -4.606 1.00 32.22 C ATOM 135 CE LYS A 34 6.009 -13.495 -5.303 1.00 21.54 C ATOM 136 NZ LYS A 34 4.521 -13.563 -5.290 1.00 13.22 N ATOM 0 H LYS A 34 9.450 -8.411 -4.519 1.00 73.42 H new ATOM 0 HA LYS A 34 10.175 -10.948 -3.510 1.00 12.41 H new ATOM 0 HB2 LYS A 34 7.860 -10.095 -4.061 1.00 54.42 H new ATOM 0 HB3 LYS A 34 8.255 -10.240 -5.762 1.00 54.42 H new ATOM 0 HG2 LYS A 34 8.356 -12.605 -5.669 1.00 64.33 H new ATOM 0 HG3 LYS A 34 8.526 -12.625 -3.924 1.00 64.33 H new ATOM 0 HD2 LYS A 34 6.263 -12.284 -3.549 1.00 32.22 H new ATOM 0 HD3 LYS A 34 6.039 -11.366 -5.025 1.00 32.22 H new ATOM 0 HE2 LYS A 34 6.364 -13.509 -6.334 1.00 21.54 H new ATOM 0 HE3 LYS A 34 6.417 -14.379 -4.814 1.00 21.54 H new ATOM 0 HZ1 LYS A 34 4.209 -14.428 -5.775 1.00 13.22 H new ATOM 0 HZ2 LYS A 34 4.183 -13.576 -4.307 1.00 13.22 H new ATOM 0 HZ3 LYS A 34 4.131 -12.732 -5.779 1.00 13.22 H new ATOM 150 N LEU A 35 10.697 -10.505 -6.750 1.00 61.55 N ATOM 151 CA LEU A 35 11.466 -10.992 -7.889 1.00 10.24 C ATOM 152 C LEU A 35 12.954 -10.716 -7.702 1.00 34.21 C ATOM 153 O LEU A 35 13.791 -11.592 -7.925 1.00 13.54 O ATOM 154 CB LEU A 35 10.977 -10.331 -9.182 1.00 13.43 C ATOM 155 CG LEU A 35 11.213 -11.137 -10.464 1.00 21.01 C ATOM 156 CD1 LEU A 35 11.035 -10.249 -11.685 1.00 3.43 C ATOM 157 CD2 LEU A 35 12.599 -11.766 -10.462 1.00 11.12 C ATOM 0 H LEU A 35 10.082 -9.719 -6.961 1.00 61.55 H new ATOM 0 HA LEU A 35 11.319 -12.070 -7.957 1.00 10.24 H new ATOM 0 HB2 LEU A 35 9.909 -10.135 -9.088 1.00 13.43 H new ATOM 0 HB3 LEU A 35 11.471 -9.365 -9.285 1.00 13.43 H new ATOM 0 HG LEU A 35 10.476 -11.939 -10.504 1.00 21.01 H new ATOM 0 HD11 LEU A 35 11.206 -10.834 -12.589 1.00 3.43 H new ATOM 0 HD12 LEU A 35 10.022 -9.848 -11.698 1.00 3.43 H new ATOM 0 HD13 LEU A 35 11.750 -9.427 -11.645 1.00 3.43 H new ATOM 0 HD21 LEU A 35 12.743 -12.333 -11.382 1.00 11.12 H new ATOM 0 HD22 LEU A 35 13.354 -10.983 -10.397 1.00 11.12 H new ATOM 0 HD23 LEU A 35 12.694 -12.434 -9.606 1.00 11.12 H new ATOM 169 N GLU A 36 13.277 -9.493 -7.297 1.00 41.14 N ATOM 170 CA GLU A 36 14.665 -9.100 -7.087 1.00 32.22 C ATOM 171 C GLU A 36 15.345 -10.014 -6.072 1.00 12.43 C ATOM 172 O GLU A 36 16.456 -10.491 -6.299 1.00 40.55 O ATOM 173 CB GLU A 36 14.739 -7.645 -6.614 1.00 40.02 C ATOM 174 CG GLU A 36 15.344 -6.702 -7.641 1.00 65.32 C ATOM 175 CD GLU A 36 16.818 -6.444 -7.396 1.00 52.00 C ATOM 176 OE1 GLU A 36 17.631 -7.358 -7.651 1.00 45.43 O ATOM 177 OE2 GLU A 36 17.160 -5.329 -6.951 1.00 73.11 O ATOM 0 H GLU A 36 12.597 -8.757 -7.108 1.00 41.14 H new ATOM 0 HA GLU A 36 15.190 -9.193 -8.038 1.00 32.22 H new ATOM 0 HB2 GLU A 36 13.735 -7.301 -6.364 1.00 40.02 H new ATOM 0 HB3 GLU A 36 15.329 -7.599 -5.699 1.00 40.02 H new ATOM 0 HG2 GLU A 36 15.213 -7.123 -8.638 1.00 65.32 H new ATOM 0 HG3 GLU A 36 14.805 -5.755 -7.622 1.00 65.32 H new ATOM 184 N GLY A 37 14.670 -10.254 -4.953 1.00 32.23 N ATOM 185 CA GLY A 37 15.224 -11.110 -3.919 1.00 34.34 C ATOM 186 C GLY A 37 15.623 -12.475 -4.446 1.00 24.21 C ATOM 187 O GLY A 37 16.724 -12.955 -4.176 1.00 35.24 O ATOM 0 H GLY A 37 13.748 -9.871 -4.743 1.00 32.23 H new ATOM 0 HA2 GLY A 37 16.095 -10.625 -3.479 1.00 34.34 H new ATOM 0 HA3 GLY A 37 14.491 -11.232 -3.122 1.00 34.34 H new ATOM 191 N ALA A 38 14.726 -13.101 -5.202 1.00 52.12 N ATOM 192 CA ALA A 38 14.993 -14.417 -5.768 1.00 42.41 C ATOM 193 C ALA A 38 16.136 -14.353 -6.773 1.00 72.43 C ATOM 194 O ALA A 38 17.029 -15.200 -6.770 1.00 71.44 O ATOM 195 CB ALA A 38 13.739 -14.973 -6.425 1.00 33.30 C ATOM 0 H ALA A 38 13.810 -12.718 -5.436 1.00 52.12 H new ATOM 0 HA ALA A 38 15.289 -15.084 -4.958 1.00 42.41 H new ATOM 0 HB1 ALA A 38 13.953 -15.956 -6.844 1.00 33.30 H new ATOM 0 HB2 ALA A 38 12.947 -15.060 -5.682 1.00 33.30 H new ATOM 0 HB3 ALA A 38 13.417 -14.302 -7.221 1.00 33.30 H new ATOM 201 N GLY A 39 16.102 -13.341 -7.634 1.00 53.44 N ATOM 202 CA GLY A 39 17.137 -13.177 -8.636 1.00 61.31 C ATOM 203 C GLY A 39 18.528 -13.130 -8.034 1.00 65.31 C ATOM 204 O GLY A 39 19.476 -13.665 -8.609 1.00 43.33 O ATOM 0 H GLY A 39 15.372 -12.629 -7.655 1.00 53.44 H new ATOM 0 HA2 GLY A 39 17.081 -14.000 -9.349 1.00 61.31 H new ATOM 0 HA3 GLY A 39 16.955 -12.259 -9.194 1.00 61.31 H new ATOM 208 N LYS A 40 18.654 -12.491 -6.873 1.00 53.12 N ATOM 209 CA LYS A 40 19.947 -12.388 -6.203 1.00 4.35 C ATOM 210 C LYS A 40 20.467 -13.770 -5.837 1.00 33.44 C ATOM 211 O LYS A 40 21.664 -14.028 -5.909 1.00 12.13 O ATOM 212 CB LYS A 40 19.850 -11.520 -4.946 1.00 11.43 C ATOM 213 CG LYS A 40 18.899 -10.340 -5.081 1.00 51.35 C ATOM 214 CD LYS A 40 19.448 -9.099 -4.395 1.00 2.55 C ATOM 215 CE LYS A 40 19.284 -7.862 -5.263 1.00 30.05 C ATOM 216 NZ LYS A 40 20.421 -6.914 -5.100 1.00 21.35 N ATOM 0 H LYS A 40 17.883 -12.040 -6.380 1.00 53.12 H new ATOM 0 HA LYS A 40 20.644 -11.915 -6.895 1.00 4.35 H new ATOM 0 HB2 LYS A 40 19.525 -12.142 -4.112 1.00 11.43 H new ATOM 0 HB3 LYS A 40 20.843 -11.146 -4.697 1.00 11.43 H new ATOM 0 HG2 LYS A 40 18.729 -10.128 -6.136 1.00 51.35 H new ATOM 0 HG3 LYS A 40 17.933 -10.599 -4.648 1.00 51.35 H new ATOM 0 HD2 LYS A 40 18.933 -8.949 -3.446 1.00 2.55 H new ATOM 0 HD3 LYS A 40 20.503 -9.246 -4.166 1.00 2.55 H new ATOM 0 HE2 LYS A 40 19.207 -8.160 -6.309 1.00 30.05 H new ATOM 0 HE3 LYS A 40 18.352 -7.359 -5.005 1.00 30.05 H new ATOM 0 HZ1 LYS A 40 20.271 -6.084 -5.709 1.00 21.35 H new ATOM 0 HZ2 LYS A 40 20.479 -6.609 -4.107 1.00 21.35 H new ATOM 0 HZ3 LYS A 40 21.308 -7.386 -5.370 1.00 21.35 H new ATOM 230 N ARG A 41 19.557 -14.658 -5.450 1.00 13.22 N ATOM 231 CA ARG A 41 19.924 -16.021 -5.087 1.00 73.31 C ATOM 232 C ARG A 41 20.078 -16.877 -6.337 1.00 23.33 C ATOM 233 O ARG A 41 21.102 -17.529 -6.544 1.00 43.54 O ATOM 234 CB ARG A 41 18.862 -16.633 -4.166 1.00 74.14 C ATOM 235 CG ARG A 41 19.054 -18.123 -3.909 1.00 43.35 C ATOM 236 CD ARG A 41 18.443 -18.970 -5.018 1.00 14.10 C ATOM 237 NE ARG A 41 18.077 -20.304 -4.547 1.00 22.50 N ATOM 238 CZ ARG A 41 18.947 -21.298 -4.386 1.00 34.13 C ATOM 239 NH1 ARG A 41 20.234 -21.113 -4.653 1.00 44.13 N ATOM 240 NH2 ARG A 41 18.530 -22.481 -3.956 1.00 42.23 N ATOM 0 H ARG A 41 18.559 -14.457 -5.380 1.00 13.22 H new ATOM 0 HA ARG A 41 20.876 -15.992 -4.557 1.00 73.31 H new ATOM 0 HB2 ARG A 41 18.874 -16.105 -3.212 1.00 74.14 H new ATOM 0 HB3 ARG A 41 17.878 -16.474 -4.606 1.00 74.14 H new ATOM 0 HG2 ARG A 41 20.118 -18.344 -3.827 1.00 43.35 H new ATOM 0 HG3 ARG A 41 18.599 -18.389 -2.955 1.00 43.35 H new ATOM 0 HD2 ARG A 41 17.559 -18.469 -5.412 1.00 14.10 H new ATOM 0 HD3 ARG A 41 19.153 -19.058 -5.841 1.00 14.10 H new ATOM 0 HE ARG A 41 17.097 -20.484 -4.329 1.00 22.50 H new ATOM 0 HH11 ARG A 41 20.561 -20.205 -4.984 1.00 44.13 H new ATOM 0 HH12 ARG A 41 20.896 -21.879 -4.528 1.00 44.13 H new ATOM 0 HH21 ARG A 41 17.542 -22.629 -3.749 1.00 42.23 H new ATOM 0 HH22 ARG A 41 19.197 -23.243 -3.833 1.00 42.23 H new ATOM 254 N VAL A 42 19.036 -16.871 -7.160 1.00 31.21 N ATOM 255 CA VAL A 42 19.014 -17.645 -8.395 1.00 73.44 C ATOM 256 C VAL A 42 20.199 -17.317 -9.289 1.00 55.34 C ATOM 257 O VAL A 42 20.597 -18.129 -10.124 1.00 51.32 O ATOM 258 CB VAL A 42 17.719 -17.389 -9.179 1.00 62.33 C ATOM 259 CG1 VAL A 42 17.587 -18.366 -10.337 1.00 34.24 C ATOM 260 CG2 VAL A 42 16.519 -17.474 -8.253 1.00 5.20 C ATOM 0 H VAL A 42 18.187 -16.332 -6.991 1.00 31.21 H new ATOM 0 HA VAL A 42 19.070 -18.695 -8.106 1.00 73.44 H new ATOM 0 HB VAL A 42 17.758 -16.383 -9.597 1.00 62.33 H new ATOM 0 HG11 VAL A 42 16.662 -18.166 -10.878 1.00 34.24 H new ATOM 0 HG12 VAL A 42 18.435 -18.248 -11.011 1.00 34.24 H new ATOM 0 HG13 VAL A 42 17.569 -19.386 -9.952 1.00 34.24 H new ATOM 0 HG21 VAL A 42 15.607 -17.291 -8.821 1.00 5.20 H new ATOM 0 HG22 VAL A 42 16.474 -18.467 -7.806 1.00 5.20 H new ATOM 0 HG23 VAL A 42 16.613 -16.726 -7.466 1.00 5.20 H new ATOM 270 N PHE A 43 20.762 -16.127 -9.116 1.00 21.12 N ATOM 271 CA PHE A 43 21.904 -15.710 -9.917 1.00 4.41 C ATOM 272 C PHE A 43 22.982 -16.794 -9.915 1.00 52.42 C ATOM 273 O PHE A 43 23.745 -16.925 -10.869 1.00 50.13 O ATOM 274 CB PHE A 43 22.458 -14.379 -9.396 1.00 4.21 C ATOM 275 CG PHE A 43 23.545 -14.524 -8.368 1.00 64.23 C ATOM 276 CD1 PHE A 43 23.362 -15.322 -7.254 1.00 44.24 C ATOM 277 CD2 PHE A 43 24.744 -13.855 -8.522 1.00 12.52 C ATOM 278 CE1 PHE A 43 24.358 -15.451 -6.306 1.00 34.52 C ATOM 279 CE2 PHE A 43 25.747 -13.978 -7.580 1.00 31.14 C ATOM 280 CZ PHE A 43 25.554 -14.777 -6.469 1.00 10.45 C ATOM 0 H PHE A 43 20.448 -15.438 -8.432 1.00 21.12 H new ATOM 0 HA PHE A 43 21.578 -15.563 -10.947 1.00 4.41 H new ATOM 0 HB2 PHE A 43 22.844 -13.805 -10.238 1.00 4.21 H new ATOM 0 HB3 PHE A 43 21.640 -13.802 -8.965 1.00 4.21 H new ATOM 0 HD1 PHE A 43 22.429 -15.851 -7.124 1.00 44.24 H new ATOM 0 HD2 PHE A 43 24.899 -13.229 -9.388 1.00 12.52 H new ATOM 0 HE1 PHE A 43 24.203 -16.077 -5.440 1.00 34.52 H new ATOM 0 HE2 PHE A 43 26.680 -13.451 -7.712 1.00 31.14 H new ATOM 0 HZ PHE A 43 26.336 -14.875 -5.730 1.00 10.45 H new ATOM 290 N LYS A 44 23.022 -17.579 -8.840 1.00 3.50 N ATOM 291 CA LYS A 44 23.986 -18.662 -8.718 1.00 51.42 C ATOM 292 C LYS A 44 23.533 -19.852 -9.551 1.00 71.32 C ATOM 293 O LYS A 44 24.347 -20.575 -10.124 1.00 42.14 O ATOM 294 CB LYS A 44 24.147 -19.072 -7.251 1.00 42.54 C ATOM 295 CG LYS A 44 25.506 -18.721 -6.668 1.00 3.13 C ATOM 296 CD LYS A 44 25.699 -19.336 -5.290 1.00 13.33 C ATOM 297 CE LYS A 44 25.645 -18.281 -4.195 1.00 61.13 C ATOM 298 NZ LYS A 44 26.866 -17.429 -4.184 1.00 43.31 N ATOM 0 H LYS A 44 22.395 -17.482 -8.041 1.00 3.50 H new ATOM 0 HA LYS A 44 24.952 -18.317 -9.087 1.00 51.42 H new ATOM 0 HB2 LYS A 44 23.371 -18.587 -6.659 1.00 42.54 H new ATOM 0 HB3 LYS A 44 23.990 -20.147 -7.163 1.00 42.54 H new ATOM 0 HG2 LYS A 44 26.291 -19.072 -7.337 1.00 3.13 H new ATOM 0 HG3 LYS A 44 25.605 -17.638 -6.601 1.00 3.13 H new ATOM 0 HD2 LYS A 44 24.927 -20.085 -5.113 1.00 13.33 H new ATOM 0 HD3 LYS A 44 26.658 -19.852 -5.252 1.00 13.33 H new ATOM 0 HE2 LYS A 44 24.766 -17.653 -4.339 1.00 61.13 H new ATOM 0 HE3 LYS A 44 25.534 -18.768 -3.226 1.00 61.13 H new ATOM 0 HZ1 LYS A 44 27.053 -17.103 -3.214 1.00 43.31 H new ATOM 0 HZ2 LYS A 44 27.678 -17.981 -4.526 1.00 43.31 H new ATOM 0 HZ3 LYS A 44 26.721 -16.606 -4.804 1.00 43.31 H new ATOM 312 N ALA A 45 22.219 -20.035 -9.624 1.00 33.15 N ATOM 313 CA ALA A 45 21.637 -21.120 -10.397 1.00 4.24 C ATOM 314 C ALA A 45 21.744 -20.823 -11.887 1.00 32.10 C ATOM 315 O ALA A 45 21.918 -21.727 -12.705 1.00 55.21 O ATOM 316 CB ALA A 45 20.184 -21.326 -9.995 1.00 73.03 C ATOM 0 H ALA A 45 21.536 -19.441 -9.154 1.00 33.15 H new ATOM 0 HA ALA A 45 22.188 -22.037 -10.189 1.00 4.24 H new ATOM 0 HB1 ALA A 45 19.757 -22.141 -10.580 1.00 73.03 H new ATOM 0 HB2 ALA A 45 20.131 -21.574 -8.935 1.00 73.03 H new ATOM 0 HB3 ALA A 45 19.621 -20.411 -10.182 1.00 73.03 H new ATOM 322 N SER A 46 21.642 -19.541 -12.230 1.00 24.43 N ATOM 323 CA SER A 46 21.728 -19.106 -13.620 1.00 73.30 C ATOM 324 C SER A 46 23.180 -18.903 -14.045 1.00 42.33 C ATOM 325 O SER A 46 23.608 -19.412 -15.081 1.00 32.13 O ATOM 326 CB SER A 46 20.943 -17.809 -13.818 1.00 53.12 C ATOM 327 OG SER A 46 21.690 -16.687 -13.381 1.00 41.42 O ATOM 0 H SER A 46 21.499 -18.784 -11.561 1.00 24.43 H new ATOM 0 HA SER A 46 21.294 -19.888 -14.244 1.00 73.30 H new ATOM 0 HB2 SER A 46 20.688 -17.692 -14.871 1.00 53.12 H new ATOM 0 HB3 SER A 46 20.004 -17.861 -13.267 1.00 53.12 H new ATOM 0 HG SER A 46 21.166 -15.871 -13.520 1.00 41.42 H new ATOM 333 N GLU A 47 23.935 -18.152 -13.243 1.00 72.33 N ATOM 334 CA GLU A 47 25.338 -17.880 -13.548 1.00 15.44 C ATOM 335 C GLU A 47 26.097 -19.172 -13.841 1.00 4.43 C ATOM 336 O GLU A 47 27.006 -19.197 -14.670 1.00 25.31 O ATOM 337 CB GLU A 47 26.009 -17.133 -12.391 1.00 32.32 C ATOM 338 CG GLU A 47 26.226 -17.986 -11.152 1.00 20.45 C ATOM 339 CD GLU A 47 27.543 -18.737 -11.184 1.00 42.31 C ATOM 340 OE1 GLU A 47 28.577 -18.110 -11.498 1.00 62.23 O ATOM 341 OE2 GLU A 47 27.541 -19.952 -10.896 1.00 5.34 O ATOM 0 H GLU A 47 23.599 -17.723 -12.381 1.00 72.33 H new ATOM 0 HA GLU A 47 25.367 -17.252 -14.438 1.00 15.44 H new ATOM 0 HB2 GLU A 47 26.971 -16.749 -12.729 1.00 32.32 H new ATOM 0 HB3 GLU A 47 25.397 -16.271 -12.124 1.00 32.32 H new ATOM 0 HG2 GLU A 47 26.196 -17.350 -10.268 1.00 20.45 H new ATOM 0 HG3 GLU A 47 25.407 -18.700 -11.059 1.00 20.45 H new ATOM 348 N LYS A 48 25.716 -20.243 -13.151 1.00 23.02 N ATOM 349 CA LYS A 48 26.360 -21.538 -13.331 1.00 10.54 C ATOM 350 C LYS A 48 26.078 -22.103 -14.720 1.00 23.11 C ATOM 351 O LYS A 48 26.941 -22.735 -15.330 1.00 0.52 O ATOM 352 CB LYS A 48 25.883 -22.521 -12.258 1.00 4.42 C ATOM 353 CG LYS A 48 27.000 -23.033 -11.362 1.00 40.24 C ATOM 354 CD LYS A 48 28.000 -23.870 -12.143 1.00 52.44 C ATOM 355 CE LYS A 48 29.415 -23.677 -11.624 1.00 2.01 C ATOM 356 NZ LYS A 48 30.187 -22.714 -12.458 1.00 22.23 N ATOM 0 H LYS A 48 24.964 -20.239 -12.462 1.00 23.02 H new ATOM 0 HA LYS A 48 27.436 -21.396 -13.232 1.00 10.54 H new ATOM 0 HB2 LYS A 48 25.128 -22.034 -11.641 1.00 4.42 H new ATOM 0 HB3 LYS A 48 25.400 -23.369 -12.743 1.00 4.42 H new ATOM 0 HG2 LYS A 48 27.512 -22.190 -10.899 1.00 40.24 H new ATOM 0 HG3 LYS A 48 26.576 -23.630 -10.555 1.00 40.24 H new ATOM 0 HD2 LYS A 48 27.727 -24.923 -12.074 1.00 52.44 H new ATOM 0 HD3 LYS A 48 27.958 -23.598 -13.198 1.00 52.44 H new ATOM 0 HE2 LYS A 48 29.378 -23.318 -10.595 1.00 2.01 H new ATOM 0 HE3 LYS A 48 29.930 -24.638 -11.608 1.00 2.01 H new ATOM 0 HZ1 LYS A 48 31.147 -22.611 -12.070 1.00 22.23 H new ATOM 0 HZ2 LYS A 48 30.244 -23.068 -13.434 1.00 22.23 H new ATOM 0 HZ3 LYS A 48 29.710 -21.790 -12.453 1.00 22.23 H new ATOM 370 N ALA A 49 24.866 -21.874 -15.216 1.00 33.45 N ATOM 371 CA ALA A 49 24.478 -22.364 -16.533 1.00 32.42 C ATOM 372 C ALA A 49 24.570 -21.278 -17.592 1.00 60.33 C ATOM 373 O ALA A 49 24.055 -21.451 -18.692 1.00 50.23 O ATOM 374 CB ALA A 49 23.073 -22.931 -16.503 1.00 24.23 C ATOM 0 H ALA A 49 24.138 -21.354 -14.727 1.00 33.45 H new ATOM 0 HA ALA A 49 25.180 -23.155 -16.798 1.00 32.42 H new ATOM 0 HB1 ALA A 49 22.805 -23.291 -17.496 1.00 24.23 H new ATOM 0 HB2 ALA A 49 23.029 -23.757 -15.794 1.00 24.23 H new ATOM 0 HB3 ALA A 49 22.373 -22.153 -16.197 1.00 24.23 H new ATOM 380 N LEU A 50 25.236 -20.167 -17.285 1.00 51.34 N ATOM 381 CA LEU A 50 25.377 -19.103 -18.272 1.00 30.23 C ATOM 382 C LEU A 50 26.056 -19.643 -19.520 1.00 13.35 C ATOM 383 O LEU A 50 25.624 -19.390 -20.635 1.00 21.35 O ATOM 384 CB LEU A 50 26.140 -17.899 -17.712 1.00 61.12 C ATOM 385 CG LEU A 50 26.426 -16.777 -18.710 1.00 22.00 C ATOM 386 CD1 LEU A 50 26.206 -15.418 -18.063 1.00 0.12 C ATOM 387 CD2 LEU A 50 27.847 -16.889 -19.245 1.00 15.42 C ATOM 0 H LEU A 50 25.676 -19.983 -16.383 1.00 51.34 H new ATOM 0 HA LEU A 50 24.379 -18.751 -18.533 1.00 30.23 H new ATOM 0 HB2 LEU A 50 25.570 -17.485 -16.880 1.00 61.12 H new ATOM 0 HB3 LEU A 50 27.088 -18.250 -17.305 1.00 61.12 H new ATOM 0 HG LEU A 50 25.734 -16.876 -19.546 1.00 22.00 H new ATOM 0 HD11 LEU A 50 26.414 -14.632 -18.788 1.00 0.12 H new ATOM 0 HD12 LEU A 50 25.172 -15.338 -17.728 1.00 0.12 H new ATOM 0 HD13 LEU A 50 26.874 -15.309 -17.208 1.00 0.12 H new ATOM 0 HD21 LEU A 50 28.033 -16.082 -19.954 1.00 15.42 H new ATOM 0 HD22 LEU A 50 28.554 -16.816 -18.418 1.00 15.42 H new ATOM 0 HD23 LEU A 50 27.973 -17.849 -19.746 1.00 15.42 H new ATOM 399 N PRO A 51 27.092 -20.456 -19.328 1.00 14.32 N ATOM 400 CA PRO A 51 27.803 -21.104 -20.423 1.00 64.45 C ATOM 401 C PRO A 51 26.884 -22.100 -21.120 1.00 70.01 C ATOM 402 O PRO A 51 27.070 -22.439 -22.290 1.00 4.11 O ATOM 403 CB PRO A 51 28.969 -21.839 -19.743 1.00 14.23 C ATOM 404 CG PRO A 51 28.953 -21.422 -18.306 1.00 1.42 C ATOM 405 CD PRO A 51 27.589 -20.855 -18.021 1.00 24.42 C ATOM 0 HA PRO A 51 28.144 -20.398 -21.180 1.00 64.45 H new ATOM 0 HB2 PRO A 51 28.853 -22.919 -19.835 1.00 14.23 H new ATOM 0 HB3 PRO A 51 29.918 -21.579 -20.212 1.00 14.23 H new ATOM 0 HG2 PRO A 51 29.159 -22.273 -17.656 1.00 1.42 H new ATOM 0 HG3 PRO A 51 29.726 -20.679 -18.113 1.00 1.42 H new ATOM 0 HD2 PRO A 51 26.938 -21.596 -17.556 1.00 24.42 H new ATOM 0 HD3 PRO A 51 27.644 -20.006 -17.339 1.00 24.42 H new ATOM 413 N VAL A 52 25.885 -22.558 -20.368 1.00 34.23 N ATOM 414 CA VAL A 52 24.902 -23.512 -20.857 1.00 25.24 C ATOM 415 C VAL A 52 23.654 -22.803 -21.367 1.00 62.32 C ATOM 416 O VAL A 52 22.850 -23.392 -22.083 1.00 32.40 O ATOM 417 CB VAL A 52 24.520 -24.507 -19.741 1.00 34.01 C ATOM 418 CG1 VAL A 52 23.348 -25.380 -20.149 1.00 11.30 C ATOM 419 CG2 VAL A 52 25.719 -25.360 -19.358 1.00 42.01 C ATOM 0 H VAL A 52 25.737 -22.274 -19.399 1.00 34.23 H new ATOM 0 HA VAL A 52 25.350 -24.058 -21.687 1.00 25.24 H new ATOM 0 HB VAL A 52 24.210 -23.929 -18.871 1.00 34.01 H new ATOM 0 HG11 VAL A 52 23.107 -26.068 -19.339 1.00 11.30 H new ATOM 0 HG12 VAL A 52 22.483 -24.752 -20.361 1.00 11.30 H new ATOM 0 HG13 VAL A 52 23.611 -25.948 -21.041 1.00 11.30 H new ATOM 0 HG21 VAL A 52 25.433 -26.057 -18.570 1.00 42.01 H new ATOM 0 HG22 VAL A 52 26.061 -25.918 -20.229 1.00 42.01 H new ATOM 0 HG23 VAL A 52 26.523 -24.717 -19.000 1.00 42.01 H new ATOM 429 N VAL A 53 23.515 -21.534 -21.007 1.00 50.10 N ATOM 430 CA VAL A 53 22.390 -20.723 -21.443 1.00 33.51 C ATOM 431 C VAL A 53 22.836 -19.846 -22.604 1.00 33.23 C ATOM 432 O VAL A 53 22.046 -19.495 -23.481 1.00 71.22 O ATOM 433 CB VAL A 53 21.859 -19.836 -20.299 1.00 21.02 C ATOM 434 CG1 VAL A 53 20.696 -18.978 -20.774 1.00 63.24 C ATOM 435 CG2 VAL A 53 21.447 -20.689 -19.107 1.00 53.52 C ATOM 0 H VAL A 53 24.177 -21.041 -20.407 1.00 50.10 H new ATOM 0 HA VAL A 53 21.583 -21.386 -21.755 1.00 33.51 H new ATOM 0 HB VAL A 53 22.663 -19.171 -19.983 1.00 21.02 H new ATOM 0 HG11 VAL A 53 20.338 -18.361 -19.950 1.00 63.24 H new ATOM 0 HG12 VAL A 53 21.027 -18.336 -21.590 1.00 63.24 H new ATOM 0 HG13 VAL A 53 19.888 -19.621 -21.123 1.00 63.24 H new ATOM 0 HG21 VAL A 53 21.075 -20.045 -18.310 1.00 53.52 H new ATOM 0 HG22 VAL A 53 20.662 -21.382 -19.410 1.00 53.52 H new ATOM 0 HG23 VAL A 53 22.309 -21.251 -18.747 1.00 53.52 H new ATOM 445 N VAL A 54 24.124 -19.518 -22.600 1.00 24.23 N ATOM 446 CA VAL A 54 24.720 -18.707 -23.644 1.00 73.40 C ATOM 447 C VAL A 54 25.067 -19.558 -24.843 1.00 4.24 C ATOM 448 O VAL A 54 24.845 -19.161 -25.977 1.00 14.24 O ATOM 449 CB VAL A 54 26.000 -18.000 -23.153 1.00 43.05 C ATOM 450 CG1 VAL A 54 25.730 -17.186 -21.895 1.00 21.20 C ATOM 451 CG2 VAL A 54 27.118 -19.007 -22.907 1.00 32.15 C ATOM 0 H VAL A 54 24.778 -19.808 -21.873 1.00 24.23 H new ATOM 0 HA VAL A 54 23.984 -17.953 -23.922 1.00 73.40 H new ATOM 0 HB VAL A 54 26.321 -17.315 -23.938 1.00 43.05 H new ATOM 0 HG11 VAL A 54 26.650 -16.699 -21.572 1.00 21.20 H new ATOM 0 HG12 VAL A 54 24.974 -16.430 -22.106 1.00 21.20 H new ATOM 0 HG13 VAL A 54 25.372 -17.846 -21.105 1.00 21.20 H new ATOM 0 HG21 VAL A 54 28.010 -18.484 -22.562 1.00 32.15 H new ATOM 0 HG22 VAL A 54 26.802 -19.724 -22.149 1.00 32.15 H new ATOM 0 HG23 VAL A 54 27.343 -19.534 -23.834 1.00 32.15 H new ATOM 461 N GLY A 55 25.610 -20.736 -24.577 1.00 32.01 N ATOM 462 CA GLY A 55 25.980 -21.637 -25.648 1.00 55.20 C ATOM 463 C GLY A 55 24.904 -21.739 -26.700 1.00 51.43 C ATOM 464 O GLY A 55 25.192 -21.958 -27.871 1.00 60.32 O ATOM 0 H GLY A 55 25.801 -21.084 -23.638 1.00 32.01 H new ATOM 0 HA2 GLY A 55 26.905 -21.291 -26.109 1.00 55.20 H new ATOM 0 HA3 GLY A 55 26.179 -22.626 -25.236 1.00 55.20 H new ATOM 468 N ILE A 56 23.658 -21.557 -26.280 1.00 51.25 N ATOM 469 CA ILE A 56 22.531 -21.609 -27.211 1.00 43.44 C ATOM 470 C ILE A 56 22.365 -20.261 -27.895 1.00 14.11 C ATOM 471 O ILE A 56 22.119 -20.184 -29.099 1.00 33.42 O ATOM 472 CB ILE A 56 21.209 -21.981 -26.513 1.00 20.22 C ATOM 473 CG1 ILE A 56 21.461 -22.950 -25.361 1.00 34.35 C ATOM 474 CG2 ILE A 56 20.230 -22.578 -27.513 1.00 10.23 C ATOM 475 CD1 ILE A 56 21.501 -22.266 -24.016 1.00 34.04 C ATOM 0 H ILE A 56 23.401 -21.373 -25.310 1.00 51.25 H new ATOM 0 HA ILE A 56 22.756 -22.386 -27.942 1.00 43.44 H new ATOM 0 HB ILE A 56 20.770 -21.072 -26.102 1.00 20.22 H new ATOM 0 HG12 ILE A 56 20.679 -23.709 -25.354 1.00 34.35 H new ATOM 0 HG13 ILE A 56 22.406 -23.467 -25.528 1.00 34.35 H new ATOM 0 HG21 ILE A 56 19.301 -22.835 -27.004 1.00 10.23 H new ATOM 0 HG22 ILE A 56 20.024 -21.851 -28.299 1.00 10.23 H new ATOM 0 HG23 ILE A 56 20.663 -23.476 -27.954 1.00 10.23 H new ATOM 0 HD11 ILE A 56 21.683 -23.006 -23.237 1.00 34.04 H new ATOM 0 HD12 ILE A 56 22.301 -21.526 -24.008 1.00 34.04 H new ATOM 0 HD13 ILE A 56 20.547 -21.771 -23.831 1.00 34.04 H new ATOM 487 N LYS A 57 22.527 -19.197 -27.119 1.00 3.34 N ATOM 488 CA LYS A 57 22.429 -17.851 -27.652 1.00 45.43 C ATOM 489 C LYS A 57 23.703 -17.514 -28.418 1.00 12.24 C ATOM 490 O LYS A 57 23.710 -16.639 -29.284 1.00 32.43 O ATOM 491 CB LYS A 57 22.203 -16.840 -26.524 1.00 71.22 C ATOM 492 CG LYS A 57 20.758 -16.384 -26.398 1.00 45.11 C ATOM 493 CD LYS A 57 20.659 -14.874 -26.239 1.00 10.40 C ATOM 494 CE LYS A 57 21.003 -14.439 -24.824 1.00 0.50 C ATOM 495 NZ LYS A 57 20.484 -13.076 -24.521 1.00 71.30 N ATOM 0 H LYS A 57 22.727 -19.243 -26.120 1.00 3.34 H new ATOM 0 HA LYS A 57 21.577 -17.799 -28.330 1.00 45.43 H new ATOM 0 HB2 LYS A 57 22.519 -17.284 -25.580 1.00 71.22 H new ATOM 0 HB3 LYS A 57 22.837 -15.970 -26.695 1.00 71.22 H new ATOM 0 HG2 LYS A 57 20.199 -16.695 -27.281 1.00 45.11 H new ATOM 0 HG3 LYS A 57 20.295 -16.872 -25.540 1.00 45.11 H new ATOM 0 HD2 LYS A 57 21.333 -14.388 -26.944 1.00 10.40 H new ATOM 0 HD3 LYS A 57 19.649 -14.547 -26.486 1.00 10.40 H new ATOM 0 HE2 LYS A 57 20.586 -15.153 -24.113 1.00 0.50 H new ATOM 0 HE3 LYS A 57 22.085 -14.453 -24.693 1.00 0.50 H new ATOM 0 HZ1 LYS A 57 20.739 -12.816 -23.547 1.00 71.30 H new ATOM 0 HZ2 LYS A 57 20.901 -12.391 -25.183 1.00 71.30 H new ATOM 0 HZ3 LYS A 57 19.449 -13.068 -24.621 1.00 71.30 H new ATOM 509 N ALA A 58 24.780 -18.232 -28.097 1.00 62.22 N ATOM 510 CA ALA A 58 26.058 -18.030 -28.757 1.00 1.35 C ATOM 511 C ALA A 58 26.121 -18.835 -30.052 1.00 24.02 C ATOM 512 O ALA A 58 26.807 -18.455 -31.001 1.00 63.10 O ATOM 513 CB ALA A 58 27.197 -18.410 -27.822 1.00 45.41 C ATOM 0 H ALA A 58 24.786 -18.959 -27.381 1.00 62.22 H new ATOM 0 HA ALA A 58 26.162 -16.975 -29.011 1.00 1.35 H new ATOM 0 HB1 ALA A 58 28.150 -18.254 -28.328 1.00 45.41 H new ATOM 0 HB2 ALA A 58 27.155 -17.789 -26.927 1.00 45.41 H new ATOM 0 HB3 ALA A 58 27.102 -19.459 -27.541 1.00 45.41 H new ATOM 519 N ILE A 59 25.381 -19.942 -30.086 1.00 11.13 N ATOM 520 CA ILE A 59 25.331 -20.798 -31.266 1.00 10.10 C ATOM 521 C ILE A 59 24.194 -20.373 -32.179 1.00 32.32 C ATOM 522 O ILE A 59 24.368 -20.249 -33.392 1.00 2.43 O ATOM 523 CB ILE A 59 25.156 -22.279 -30.888 1.00 40.22 C ATOM 524 CG1 ILE A 59 23.871 -22.500 -30.092 1.00 12.23 C ATOM 525 CG2 ILE A 59 26.360 -22.746 -30.098 1.00 23.44 C ATOM 526 CD1 ILE A 59 22.674 -22.834 -30.955 1.00 51.32 C ATOM 0 H ILE A 59 24.807 -20.266 -29.307 1.00 11.13 H new ATOM 0 HA ILE A 59 26.282 -20.688 -31.787 1.00 10.10 H new ATOM 0 HB ILE A 59 25.078 -22.864 -31.804 1.00 40.22 H new ATOM 0 HG12 ILE A 59 24.030 -23.308 -29.378 1.00 12.23 H new ATOM 0 HG13 ILE A 59 23.653 -21.602 -29.514 1.00 12.23 H new ATOM 0 HG21 ILE A 59 26.235 -23.795 -29.831 1.00 23.44 H new ATOM 0 HG22 ILE A 59 27.259 -22.630 -30.703 1.00 23.44 H new ATOM 0 HG23 ILE A 59 26.454 -22.149 -29.191 1.00 23.44 H new ATOM 0 HD11 ILE A 59 21.798 -22.977 -30.322 1.00 51.32 H new ATOM 0 HD12 ILE A 59 22.488 -22.017 -31.652 1.00 51.32 H new ATOM 0 HD13 ILE A 59 22.872 -23.749 -31.513 1.00 51.32 H new ATOM 538 N GLY A 60 23.038 -20.122 -31.583 1.00 44.33 N ATOM 539 CA GLY A 60 21.894 -19.681 -32.347 1.00 13.23 C ATOM 540 C GLY A 60 21.895 -18.176 -32.514 1.00 44.01 C ATOM 541 O GLY A 60 21.029 -17.615 -33.186 1.00 2.34 O ATOM 0 H GLY A 60 22.873 -20.217 -30.581 1.00 44.33 H new ATOM 0 HA2 GLY A 60 21.902 -20.158 -33.327 1.00 13.23 H new ATOM 0 HA3 GLY A 60 20.977 -19.994 -31.847 1.00 13.23 H new ATOM 545 N LYS A 61 22.878 -17.521 -31.896 1.00 34.31 N ATOM 546 CA LYS A 61 22.999 -16.069 -31.974 1.00 14.11 C ATOM 547 C LYS A 61 21.726 -15.387 -31.483 1.00 43.44 C ATOM 548 O LYS A 61 21.671 -14.140 -31.519 1.00 75.31 O ATOM 549 CB LYS A 61 23.299 -15.639 -33.412 1.00 63.51 C ATOM 550 CG LYS A 61 24.622 -16.170 -33.940 1.00 20.05 C ATOM 551 CD LYS A 61 25.407 -15.091 -34.671 1.00 13.40 C ATOM 552 CE LYS A 61 25.274 -15.228 -36.180 1.00 3.43 C ATOM 553 NZ LYS A 61 24.722 -13.994 -36.805 1.00 45.34 N ATOM 554 OXT LYS A 61 20.793 -16.106 -31.067 1.00 35.52 O ATOM 0 H LYS A 61 23.601 -17.974 -31.337 1.00 34.31 H new ATOM 0 HA LYS A 61 23.823 -15.764 -31.329 1.00 14.11 H new ATOM 0 HB2 LYS A 61 22.494 -15.983 -34.061 1.00 63.51 H new ATOM 0 HB3 LYS A 61 23.307 -14.550 -33.463 1.00 63.51 H new ATOM 0 HG2 LYS A 61 25.217 -16.555 -33.112 1.00 20.05 H new ATOM 0 HG3 LYS A 61 24.436 -17.006 -34.615 1.00 20.05 H new ATOM 0 HD2 LYS A 61 25.051 -14.108 -34.361 1.00 13.40 H new ATOM 0 HD3 LYS A 61 26.459 -15.152 -34.391 1.00 13.40 H new ATOM 0 HE2 LYS A 61 26.250 -15.448 -36.612 1.00 3.43 H new ATOM 0 HE3 LYS A 61 24.626 -16.073 -36.412 1.00 3.43 H new ATOM 0 HZ1 LYS A 61 24.647 -14.129 -37.833 1.00 45.34 H new ATOM 0 HZ2 LYS A 61 23.779 -13.798 -36.412 1.00 45.34 H new ATOM 0 HZ3 LYS A 61 25.353 -13.192 -36.606 1.00 45.34 H new