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+ -169:sc= 0 (180deg=-0.0725) 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= -0.213 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 2.945 0.020 0.735 1.00 13.00 N ATOM 2 CA GLY A 26 3.746 -0.030 -0.519 1.00 45.03 C ATOM 3 C GLY A 26 3.926 -1.443 -1.036 1.00 54.33 C ATOM 4 O GLY A 26 4.928 -2.096 -0.743 1.00 12.11 O ATOM 0 HA2 GLY A 26 3.257 0.574 -1.283 1.00 45.03 H new ATOM 0 HA3 GLY A 26 4.725 0.415 -0.339 1.00 45.03 H new ATOM 10 N GLY A 27 2.953 -1.917 -1.808 1.00 21.34 N ATOM 11 CA GLY A 27 3.028 -3.259 -2.355 1.00 63.43 C ATOM 12 C GLY A 27 3.859 -3.326 -3.622 1.00 62.34 C ATOM 13 O GLY A 27 4.425 -4.369 -3.945 1.00 75.24 O ATOM 0 H GLY A 27 2.114 -1.396 -2.064 1.00 21.34 H new ATOM 0 HA2 GLY A 27 3.456 -3.928 -1.609 1.00 63.43 H new ATOM 0 HA3 GLY A 27 2.021 -3.618 -2.566 1.00 63.43 H new ATOM 17 N LEU A 28 3.930 -2.208 -4.343 1.00 61.42 N ATOM 18 CA LEU A 28 4.699 -2.144 -5.586 1.00 41.11 C ATOM 19 C LEU A 28 6.087 -2.731 -5.396 1.00 64.20 C ATOM 20 O LEU A 28 6.447 -3.731 -6.016 1.00 44.32 O ATOM 21 CB LEU A 28 4.826 -0.692 -6.051 1.00 33.11 C ATOM 22 CG LEU A 28 4.914 0.352 -4.931 1.00 64.52 C ATOM 23 CD1 LEU A 28 5.928 1.430 -5.281 1.00 21.23 C ATOM 24 CD2 LEU A 28 3.547 0.965 -4.667 1.00 75.24 C ATOM 0 H LEU A 28 3.466 -1.336 -4.089 1.00 61.42 H new ATOM 0 HA LEU A 28 4.170 -2.727 -6.340 1.00 41.11 H new ATOM 0 HB2 LEU A 28 5.715 -0.605 -6.676 1.00 33.11 H new ATOM 0 HB3 LEU A 28 3.969 -0.454 -6.680 1.00 33.11 H new ATOM 0 HG LEU A 28 5.248 -0.146 -4.021 1.00 64.52 H new ATOM 0 HD11 LEU A 28 5.975 2.161 -4.474 1.00 21.23 H new ATOM 0 HD12 LEU A 28 6.909 0.976 -5.417 1.00 21.23 H new ATOM 0 HD13 LEU A 28 5.627 1.927 -6.203 1.00 21.23 H new ATOM 0 HD21 LEU A 28 3.627 1.704 -3.869 1.00 75.24 H new ATOM 0 HD22 LEU A 28 3.184 1.448 -5.574 1.00 75.24 H new ATOM 0 HD23 LEU A 28 2.849 0.183 -4.368 1.00 75.24 H new ATOM 36 N LYS A 29 6.851 -2.106 -4.517 1.00 30.50 N ATOM 37 CA LYS A 29 8.197 -2.567 -4.213 1.00 41.32 C ATOM 38 C LYS A 29 8.139 -3.945 -3.566 1.00 54.33 C ATOM 39 O LYS A 29 9.099 -4.713 -3.621 1.00 44.31 O ATOM 40 CB LYS A 29 8.903 -1.575 -3.286 1.00 72.23 C ATOM 41 CG LYS A 29 10.232 -1.074 -3.830 1.00 75.04 C ATOM 42 CD LYS A 29 11.145 -0.586 -2.716 1.00 15.43 C ATOM 43 CE LYS A 29 11.764 0.762 -3.051 1.00 74.42 C ATOM 44 NZ LYS A 29 12.577 0.705 -4.297 1.00 40.14 N ATOM 0 H LYS A 29 6.562 -1.276 -3.999 1.00 30.50 H new ATOM 0 HA LYS A 29 8.764 -2.635 -5.141 1.00 41.32 H new ATOM 0 HB2 LYS A 29 8.246 -0.722 -3.112 1.00 72.23 H new ATOM 0 HB3 LYS A 29 9.071 -2.050 -2.320 1.00 72.23 H new ATOM 0 HG2 LYS A 29 10.725 -1.875 -4.381 1.00 75.04 H new ATOM 0 HG3 LYS A 29 10.054 -0.263 -4.537 1.00 75.04 H new ATOM 0 HD2 LYS A 29 10.578 -0.506 -1.788 1.00 15.43 H new ATOM 0 HD3 LYS A 29 11.935 -1.318 -2.545 1.00 15.43 H new ATOM 0 HE2 LYS A 29 10.975 1.505 -3.166 1.00 74.42 H new ATOM 0 HE3 LYS A 29 12.392 1.089 -2.222 1.00 74.42 H new ATOM 0 HZ1 LYS A 29 13.129 1.581 -4.392 1.00 40.14 H new ATOM 0 HZ2 LYS A 29 13.224 -0.108 -4.253 1.00 40.14 H new ATOM 0 HZ3 LYS A 29 11.947 0.602 -5.118 1.00 40.14 H new ATOM 58 N LYS A 30 6.996 -4.253 -2.955 1.00 54.53 N ATOM 59 CA LYS A 30 6.800 -5.539 -2.300 1.00 42.32 C ATOM 60 C LYS A 30 6.736 -6.663 -3.330 1.00 72.31 C ATOM 61 O LYS A 30 7.212 -7.771 -3.084 1.00 10.10 O ATOM 62 CB LYS A 30 5.514 -5.521 -1.469 1.00 42.33 C ATOM 63 CG LYS A 30 5.619 -6.304 -0.170 1.00 2.54 C ATOM 64 CD LYS A 30 6.163 -5.442 0.958 1.00 43.11 C ATOM 65 CE LYS A 30 7.627 -5.741 1.233 1.00 24.01 C ATOM 66 NZ LYS A 30 8.281 -4.654 2.013 1.00 1.20 N ATOM 0 H LYS A 30 6.193 -3.627 -2.902 1.00 54.53 H new ATOM 0 HA LYS A 30 7.648 -5.718 -1.639 1.00 42.32 H new ATOM 0 HB2 LYS A 30 5.253 -4.488 -1.241 1.00 42.33 H new ATOM 0 HB3 LYS A 30 4.699 -5.931 -2.066 1.00 42.33 H new ATOM 0 HG2 LYS A 30 4.637 -6.688 0.105 1.00 2.54 H new ATOM 0 HG3 LYS A 30 6.269 -7.167 -0.316 1.00 2.54 H new ATOM 0 HD2 LYS A 30 6.048 -4.389 0.700 1.00 43.11 H new ATOM 0 HD3 LYS A 30 5.580 -5.614 1.862 1.00 43.11 H new ATOM 0 HE2 LYS A 30 7.709 -6.680 1.781 1.00 24.01 H new ATOM 0 HE3 LYS A 30 8.153 -5.876 0.288 1.00 24.01 H new ATOM 0 HZ1 LYS A 30 9.278 -4.898 2.179 1.00 1.20 H new ATOM 0 HZ2 LYS A 30 8.226 -3.763 1.480 1.00 1.20 H new ATOM 0 HZ3 LYS A 30 7.796 -4.541 2.926 1.00 1.20 H new ATOM 80 N LEU A 31 6.143 -6.368 -4.484 1.00 13.12 N ATOM 81 CA LEU A 31 6.018 -7.354 -5.551 1.00 32.35 C ATOM 82 C LEU A 31 7.304 -7.440 -6.366 1.00 72.41 C ATOM 83 O LEU A 31 7.692 -8.515 -6.821 1.00 54.31 O ATOM 84 CB LEU A 31 4.842 -6.999 -6.465 1.00 42.32 C ATOM 85 CG LEU A 31 4.658 -7.921 -7.671 1.00 2.22 C ATOM 86 CD1 LEU A 31 4.419 -9.352 -7.215 1.00 34.51 C ATOM 87 CD2 LEU A 31 3.508 -7.437 -8.540 1.00 42.21 C ATOM 0 H LEU A 31 5.743 -5.456 -4.703 1.00 13.12 H new ATOM 0 HA LEU A 31 5.834 -8.327 -5.095 1.00 32.35 H new ATOM 0 HB2 LEU A 31 3.926 -7.011 -5.874 1.00 42.32 H new ATOM 0 HB3 LEU A 31 4.976 -5.979 -6.824 1.00 42.32 H new ATOM 0 HG LEU A 31 5.571 -7.898 -8.266 1.00 2.22 H new ATOM 0 HD11 LEU A 31 4.290 -9.995 -8.086 1.00 34.51 H new ATOM 0 HD12 LEU A 31 5.274 -9.696 -6.633 1.00 34.51 H new ATOM 0 HD13 LEU A 31 3.521 -9.392 -6.598 1.00 34.51 H new ATOM 0 HD21 LEU A 31 3.391 -8.105 -9.394 1.00 42.21 H new ATOM 0 HD22 LEU A 31 2.588 -7.431 -7.956 1.00 42.21 H new ATOM 0 HD23 LEU A 31 3.719 -6.428 -8.895 1.00 42.21 H new ATOM 99 N GLY A 32 7.960 -6.298 -6.547 1.00 42.24 N ATOM 100 CA GLY A 32 9.195 -6.264 -7.307 1.00 12.24 C ATOM 101 C GLY A 32 10.335 -6.967 -6.598 1.00 42.40 C ATOM 102 O GLY A 32 10.930 -7.900 -7.138 1.00 41.50 O ATOM 0 H GLY A 32 7.658 -5.395 -6.180 1.00 42.24 H new ATOM 0 HA2 GLY A 32 9.033 -6.731 -8.278 1.00 12.24 H new ATOM 0 HA3 GLY A 32 9.473 -5.227 -7.495 1.00 12.24 H new ATOM 106 N LYS A 33 10.642 -6.518 -5.384 1.00 63.13 N ATOM 107 CA LYS A 33 11.722 -7.110 -4.600 1.00 44.23 C ATOM 108 C LYS A 33 11.484 -8.602 -4.379 1.00 33.21 C ATOM 109 O LYS A 33 12.430 -9.369 -4.195 1.00 41.11 O ATOM 110 CB LYS A 33 11.854 -6.394 -3.254 1.00 55.40 C ATOM 111 CG LYS A 33 13.036 -5.441 -3.188 1.00 44.30 C ATOM 112 CD LYS A 33 12.913 -4.481 -2.015 1.00 21.11 C ATOM 113 CE LYS A 33 14.158 -3.622 -1.867 1.00 4.43 C ATOM 114 NZ LYS A 33 14.172 -2.881 -0.575 1.00 44.20 N ATOM 0 H LYS A 33 10.159 -5.747 -4.922 1.00 63.13 H new ATOM 0 HA LYS A 33 12.650 -6.991 -5.159 1.00 44.23 H new ATOM 0 HB2 LYS A 33 10.938 -5.838 -3.056 1.00 55.40 H new ATOM 0 HB3 LYS A 33 11.953 -7.138 -2.464 1.00 55.40 H new ATOM 0 HG2 LYS A 33 13.960 -6.012 -3.097 1.00 44.30 H new ATOM 0 HG3 LYS A 33 13.101 -4.875 -4.117 1.00 44.30 H new ATOM 0 HD2 LYS A 33 12.042 -3.841 -2.157 1.00 21.11 H new ATOM 0 HD3 LYS A 33 12.747 -5.045 -1.097 1.00 21.11 H new ATOM 0 HE2 LYS A 33 15.044 -4.253 -1.933 1.00 4.43 H new ATOM 0 HE3 LYS A 33 14.210 -2.913 -2.693 1.00 4.43 H new ATOM 0 HZ1 LYS A 33 15.037 -2.307 -0.513 1.00 44.20 H new ATOM 0 HZ2 LYS A 33 13.340 -2.259 -0.522 1.00 44.20 H new ATOM 0 HZ3 LYS A 33 14.149 -3.558 0.214 1.00 44.20 H new ATOM 128 N LYS A 34 10.219 -9.008 -4.400 1.00 63.23 N ATOM 129 CA LYS A 34 9.865 -10.409 -4.205 1.00 42.22 C ATOM 130 C LYS A 34 10.466 -11.273 -5.306 1.00 43.32 C ATOM 131 O LYS A 34 11.205 -12.219 -5.036 1.00 53.34 O ATOM 132 CB LYS A 34 8.344 -10.574 -4.186 1.00 65.22 C ATOM 133 CG LYS A 34 7.889 -11.963 -3.771 1.00 34.34 C ATOM 134 CD LYS A 34 6.464 -11.947 -3.240 1.00 12.03 C ATOM 135 CE LYS A 34 5.945 -13.354 -2.998 1.00 2.41 C ATOM 136 NZ LYS A 34 4.670 -13.352 -2.230 1.00 44.21 N ATOM 0 H LYS A 34 9.423 -8.388 -4.550 1.00 63.23 H new ATOM 0 HA LYS A 34 10.270 -10.733 -3.246 1.00 42.22 H new ATOM 0 HB2 LYS A 34 7.916 -9.841 -3.502 1.00 65.22 H new ATOM 0 HB3 LYS A 34 7.950 -10.353 -5.178 1.00 65.22 H new ATOM 0 HG2 LYS A 34 7.953 -12.638 -4.624 1.00 34.34 H new ATOM 0 HG3 LYS A 34 8.559 -12.353 -3.005 1.00 34.34 H new ATOM 0 HD2 LYS A 34 6.427 -11.379 -2.310 1.00 12.03 H new ATOM 0 HD3 LYS A 34 5.815 -11.436 -3.951 1.00 12.03 H new ATOM 0 HE2 LYS A 34 5.792 -13.854 -3.955 1.00 2.41 H new ATOM 0 HE3 LYS A 34 6.695 -13.929 -2.455 1.00 2.41 H new ATOM 0 HZ1 LYS A 34 4.350 -14.331 -2.086 1.00 44.21 H new ATOM 0 HZ2 LYS A 34 4.822 -12.898 -1.307 1.00 44.21 H new ATOM 0 HZ3 LYS A 34 3.946 -12.825 -2.760 1.00 44.21 H new ATOM 150 N LEU A 35 10.146 -10.935 -6.550 1.00 11.23 N ATOM 151 CA LEU A 35 10.655 -11.674 -7.699 1.00 51.04 C ATOM 152 C LEU A 35 12.133 -11.371 -7.925 1.00 62.41 C ATOM 153 O LEU A 35 12.954 -12.281 -8.034 1.00 33.54 O ATOM 154 CB LEU A 35 9.856 -11.320 -8.956 1.00 34.55 C ATOM 155 CG LEU A 35 9.835 -12.396 -10.047 1.00 4.25 C ATOM 156 CD1 LEU A 35 9.294 -11.821 -11.347 1.00 2.50 C ATOM 157 CD2 LEU A 35 11.227 -12.976 -10.262 1.00 53.34 C ATOM 0 H LEU A 35 9.536 -10.153 -6.789 1.00 11.23 H new ATOM 0 HA LEU A 35 10.544 -12.739 -7.493 1.00 51.04 H new ATOM 0 HB2 LEU A 35 8.829 -11.103 -8.664 1.00 34.55 H new ATOM 0 HB3 LEU A 35 10.267 -10.404 -9.381 1.00 34.55 H new ATOM 0 HG LEU A 35 9.177 -13.201 -9.720 1.00 4.25 H new ATOM 0 HD11 LEU A 35 9.285 -12.597 -12.112 1.00 2.50 H new ATOM 0 HD12 LEU A 35 8.279 -11.456 -11.189 1.00 2.50 H new ATOM 0 HD13 LEU A 35 9.929 -10.997 -11.673 1.00 2.50 H new ATOM 0 HD21 LEU A 35 11.188 -13.738 -11.041 1.00 53.34 H new ATOM 0 HD22 LEU A 35 11.909 -12.182 -10.565 1.00 53.34 H new ATOM 0 HD23 LEU A 35 11.582 -13.424 -9.334 1.00 53.34 H new ATOM 169 N GLU A 36 12.462 -10.085 -7.997 1.00 22.41 N ATOM 170 CA GLU A 36 13.839 -9.657 -8.212 1.00 61.40 C ATOM 171 C GLU A 36 14.762 -10.226 -7.138 1.00 52.45 C ATOM 172 O GLU A 36 15.930 -10.512 -7.397 1.00 22.21 O ATOM 173 CB GLU A 36 13.925 -8.130 -8.218 1.00 72.30 C ATOM 174 CG GLU A 36 13.753 -7.516 -9.598 1.00 34.02 C ATOM 175 CD GLU A 36 15.061 -7.026 -10.186 1.00 43.34 C ATOM 176 OE1 GLU A 36 15.909 -7.872 -10.536 1.00 33.15 O ATOM 177 OE2 GLU A 36 15.238 -5.794 -10.295 1.00 22.13 O ATOM 0 H GLU A 36 11.792 -9.321 -7.909 1.00 22.41 H new ATOM 0 HA GLU A 36 14.163 -10.037 -9.181 1.00 61.40 H new ATOM 0 HB2 GLU A 36 13.160 -7.729 -7.553 1.00 72.30 H new ATOM 0 HB3 GLU A 36 14.890 -7.827 -7.813 1.00 72.30 H new ATOM 0 HG2 GLU A 36 13.312 -8.255 -10.268 1.00 34.02 H new ATOM 0 HG3 GLU A 36 13.052 -6.683 -9.536 1.00 34.02 H new ATOM 184 N GLY A 37 14.227 -10.387 -5.931 1.00 60.31 N ATOM 185 CA GLY A 37 15.016 -10.922 -4.837 1.00 63.31 C ATOM 186 C GLY A 37 15.578 -12.295 -5.146 1.00 42.25 C ATOM 187 O GLY A 37 16.711 -12.606 -4.779 1.00 45.14 O ATOM 0 H GLY A 37 13.263 -10.157 -5.692 1.00 60.31 H new ATOM 0 HA2 GLY A 37 15.836 -10.238 -4.616 1.00 63.31 H new ATOM 0 HA3 GLY A 37 14.398 -10.979 -3.941 1.00 63.31 H new ATOM 191 N ALA A 38 14.784 -13.116 -5.826 1.00 73.33 N ATOM 192 CA ALA A 38 15.210 -14.462 -6.188 1.00 72.13 C ATOM 193 C ALA A 38 16.293 -14.422 -7.258 1.00 0.34 C ATOM 194 O ALA A 38 17.269 -15.169 -7.198 1.00 40.55 O ATOM 195 CB ALA A 38 14.020 -15.281 -6.667 1.00 24.41 C ATOM 0 H ALA A 38 13.843 -12.873 -6.137 1.00 73.33 H new ATOM 0 HA ALA A 38 15.629 -14.937 -5.301 1.00 72.13 H new ATOM 0 HB1 ALA A 38 14.353 -16.284 -6.934 1.00 24.41 H new ATOM 0 HB2 ALA A 38 13.278 -15.345 -5.871 1.00 24.41 H new ATOM 0 HB3 ALA A 38 13.576 -14.802 -7.539 1.00 24.41 H new ATOM 201 N GLY A 39 16.118 -13.543 -8.238 1.00 13.10 N ATOM 202 CA GLY A 39 17.091 -13.422 -9.308 1.00 71.10 C ATOM 203 C GLY A 39 18.489 -13.130 -8.794 1.00 34.12 C ATOM 204 O GLY A 39 19.475 -13.386 -9.486 1.00 62.33 O ATOM 0 H GLY A 39 15.320 -12.912 -8.311 1.00 13.10 H new ATOM 0 HA2 GLY A 39 17.106 -14.345 -9.887 1.00 71.10 H new ATOM 0 HA3 GLY A 39 16.783 -12.626 -9.986 1.00 71.10 H new ATOM 208 N LYS A 40 18.576 -12.593 -7.581 1.00 61.21 N ATOM 209 CA LYS A 40 19.868 -12.267 -6.984 1.00 24.03 C ATOM 210 C LYS A 40 20.517 -13.506 -6.377 1.00 71.44 C ATOM 211 O LYS A 40 21.722 -13.701 -6.502 1.00 14.51 O ATOM 212 CB LYS A 40 19.719 -11.184 -5.910 1.00 31.11 C ATOM 213 CG LYS A 40 18.524 -10.265 -6.117 1.00 72.10 C ATOM 214 CD LYS A 40 18.840 -8.836 -5.702 1.00 45.35 C ATOM 215 CE LYS A 40 17.809 -7.858 -6.244 1.00 53.24 C ATOM 216 NZ LYS A 40 18.291 -7.164 -7.470 1.00 23.23 N ATOM 0 H LYS A 40 17.771 -12.375 -6.994 1.00 61.21 H new ATOM 0 HA LYS A 40 20.509 -11.888 -7.779 1.00 24.03 H new ATOM 0 HB2 LYS A 40 19.630 -11.664 -4.935 1.00 31.11 H new ATOM 0 HB3 LYS A 40 20.627 -10.582 -5.888 1.00 31.11 H new ATOM 0 HG2 LYS A 40 18.227 -10.283 -7.166 1.00 72.10 H new ATOM 0 HG3 LYS A 40 17.676 -10.633 -5.540 1.00 72.10 H new ATOM 0 HD2 LYS A 40 18.869 -8.770 -4.614 1.00 45.35 H new ATOM 0 HD3 LYS A 40 19.830 -8.561 -6.065 1.00 45.35 H new ATOM 0 HE2 LYS A 40 16.886 -8.392 -6.469 1.00 53.24 H new ATOM 0 HE3 LYS A 40 17.572 -7.119 -5.478 1.00 53.24 H new ATOM 0 HZ1 LYS A 40 17.559 -6.507 -7.807 1.00 23.23 H new ATOM 0 HZ2 LYS A 40 19.158 -6.634 -7.250 1.00 23.23 H new ATOM 0 HZ3 LYS A 40 18.493 -7.866 -8.210 1.00 23.23 H new ATOM 230 N ARG A 41 19.716 -14.340 -5.720 1.00 32.22 N ATOM 231 CA ARG A 41 20.230 -15.561 -5.104 1.00 23.10 C ATOM 232 C ARG A 41 20.372 -16.669 -6.142 1.00 21.30 C ATOM 233 O ARG A 41 21.344 -17.423 -6.137 1.00 52.04 O ATOM 234 CB ARG A 41 19.316 -16.019 -3.959 1.00 41.11 C ATOM 235 CG ARG A 41 18.024 -16.686 -4.416 1.00 4.23 C ATOM 236 CD ARG A 41 18.212 -18.180 -4.654 1.00 73.35 C ATOM 237 NE ARG A 41 17.935 -18.964 -3.452 1.00 21.42 N ATOM 238 CZ ARG A 41 17.909 -20.294 -3.425 1.00 54.14 C ATOM 239 NH1 ARG A 41 18.139 -20.992 -4.531 1.00 44.51 N ATOM 240 NH2 ARG A 41 17.651 -20.929 -2.290 1.00 31.31 N ATOM 0 H ARG A 41 18.714 -14.195 -5.600 1.00 32.22 H new ATOM 0 HA ARG A 41 21.216 -15.343 -4.693 1.00 23.10 H new ATOM 0 HB2 ARG A 41 19.867 -16.715 -3.327 1.00 41.11 H new ATOM 0 HB3 ARG A 41 19.067 -15.156 -3.341 1.00 41.11 H new ATOM 0 HG2 ARG A 41 17.250 -16.532 -3.664 1.00 4.23 H new ATOM 0 HG3 ARG A 41 17.675 -16.213 -5.334 1.00 4.23 H new ATOM 0 HD2 ARG A 41 17.553 -18.505 -5.459 1.00 73.35 H new ATOM 0 HD3 ARG A 41 19.234 -18.369 -4.983 1.00 73.35 H new ATOM 0 HE ARG A 41 17.751 -18.462 -2.583 1.00 21.42 H new ATOM 0 HH11 ARG A 41 18.337 -20.509 -5.407 1.00 44.51 H new ATOM 0 HH12 ARG A 41 18.118 -22.011 -4.504 1.00 44.51 H new ATOM 0 HH21 ARG A 41 17.472 -20.398 -1.438 1.00 31.31 H new ATOM 0 HH22 ARG A 41 17.631 -21.949 -2.269 1.00 31.31 H new ATOM 254 N VAL A 42 19.387 -16.757 -7.028 1.00 4.23 N ATOM 255 CA VAL A 42 19.380 -17.768 -8.077 1.00 70.13 C ATOM 256 C VAL A 42 20.515 -17.552 -9.063 1.00 41.34 C ATOM 257 O VAL A 42 20.930 -18.479 -9.756 1.00 51.11 O ATOM 258 CB VAL A 42 18.048 -17.769 -8.839 1.00 12.11 C ATOM 259 CG1 VAL A 42 18.010 -18.891 -9.866 1.00 35.24 C ATOM 260 CG2 VAL A 42 16.893 -17.890 -7.865 1.00 31.30 C ATOM 0 H VAL A 42 18.578 -16.136 -7.040 1.00 4.23 H new ATOM 0 HA VAL A 42 19.514 -18.732 -7.586 1.00 70.13 H new ATOM 0 HB VAL A 42 17.954 -16.825 -9.376 1.00 12.11 H new ATOM 0 HG11 VAL A 42 17.056 -18.870 -10.393 1.00 35.24 H new ATOM 0 HG12 VAL A 42 18.822 -18.758 -10.581 1.00 35.24 H new ATOM 0 HG13 VAL A 42 18.125 -19.850 -9.361 1.00 35.24 H new ATOM 0 HG21 VAL A 42 15.952 -17.890 -8.415 1.00 31.30 H new ATOM 0 HG22 VAL A 42 16.986 -18.820 -7.304 1.00 31.30 H new ATOM 0 HG23 VAL A 42 16.910 -17.047 -7.174 1.00 31.30 H new ATOM 270 N PHE A 43 21.016 -16.322 -9.125 1.00 42.40 N ATOM 271 CA PHE A 43 22.108 -15.984 -10.028 1.00 31.23 C ATOM 272 C PHE A 43 23.204 -17.051 -9.980 1.00 41.24 C ATOM 273 O PHE A 43 23.906 -17.275 -10.960 1.00 43.22 O ATOM 274 CB PHE A 43 22.673 -14.605 -9.672 1.00 44.11 C ATOM 275 CG PHE A 43 23.732 -14.632 -8.609 1.00 13.24 C ATOM 276 CD1 PHE A 43 23.519 -15.298 -7.414 1.00 2.20 C ATOM 277 CD2 PHE A 43 24.938 -13.987 -8.806 1.00 14.43 C ATOM 278 CE1 PHE A 43 24.492 -15.319 -6.434 1.00 1.23 C ATOM 279 CE2 PHE A 43 25.918 -14.002 -7.832 1.00 53.44 C ATOM 280 CZ PHE A 43 25.693 -14.670 -6.642 1.00 23.15 C ATOM 0 H PHE A 43 20.681 -15.542 -8.559 1.00 42.40 H new ATOM 0 HA PHE A 43 21.721 -15.950 -11.047 1.00 31.23 H new ATOM 0 HB2 PHE A 43 23.088 -14.151 -10.572 1.00 44.11 H new ATOM 0 HB3 PHE A 43 21.856 -13.964 -9.340 1.00 44.11 H new ATOM 0 HD1 PHE A 43 22.581 -15.807 -7.246 1.00 2.20 H new ATOM 0 HD2 PHE A 43 25.117 -13.464 -9.734 1.00 14.43 H new ATOM 0 HE1 PHE A 43 24.314 -15.842 -5.506 1.00 1.23 H new ATOM 0 HE2 PHE A 43 26.856 -13.494 -7.999 1.00 53.44 H new ATOM 0 HZ PHE A 43 26.455 -14.684 -5.877 1.00 23.15 H new ATOM 290 N LYS A 44 23.323 -17.719 -8.834 1.00 45.02 N ATOM 291 CA LYS A 44 24.310 -18.775 -8.659 1.00 52.15 C ATOM 292 C LYS A 44 23.893 -20.002 -9.447 1.00 65.22 C ATOM 293 O LYS A 44 24.700 -20.642 -10.121 1.00 42.32 O ATOM 294 CB LYS A 44 24.437 -19.129 -7.178 1.00 43.54 C ATOM 295 CG LYS A 44 23.175 -19.719 -6.566 1.00 54.34 C ATOM 296 CD LYS A 44 23.158 -21.238 -6.664 1.00 24.12 C ATOM 297 CE LYS A 44 22.774 -21.880 -5.340 1.00 32.30 C ATOM 298 NZ LYS A 44 23.649 -23.039 -5.010 1.00 2.13 N ATOM 0 H LYS A 44 22.745 -17.544 -8.012 1.00 45.02 H new ATOM 0 HA LYS A 44 25.275 -18.425 -9.025 1.00 52.15 H new ATOM 0 HB2 LYS A 44 25.254 -19.840 -7.055 1.00 43.54 H new ATOM 0 HB3 LYS A 44 24.710 -18.231 -6.624 1.00 43.54 H new ATOM 0 HG2 LYS A 44 23.104 -19.421 -5.520 1.00 54.34 H new ATOM 0 HG3 LYS A 44 22.300 -19.312 -7.073 1.00 54.34 H new ATOM 0 HD2 LYS A 44 22.453 -21.545 -7.436 1.00 24.12 H new ATOM 0 HD3 LYS A 44 24.141 -21.594 -6.970 1.00 24.12 H new ATOM 0 HE2 LYS A 44 22.839 -21.138 -4.544 1.00 32.30 H new ATOM 0 HE3 LYS A 44 21.736 -22.210 -5.384 1.00 32.30 H new ATOM 0 HZ1 LYS A 44 23.355 -23.448 -4.100 1.00 2.13 H new ATOM 0 HZ2 LYS A 44 23.568 -23.759 -5.756 1.00 2.13 H new ATOM 0 HZ3 LYS A 44 24.637 -22.720 -4.943 1.00 2.13 H new ATOM 312 N ALA A 45 22.613 -20.307 -9.351 1.00 53.12 N ATOM 313 CA ALA A 45 22.029 -21.443 -10.046 1.00 25.52 C ATOM 314 C ALA A 45 22.059 -21.222 -11.554 1.00 32.52 C ATOM 315 O ALA A 45 22.231 -22.163 -12.328 1.00 40.32 O ATOM 316 CB ALA A 45 20.602 -21.669 -9.569 1.00 3.34 C ATOM 0 H ALA A 45 21.947 -19.776 -8.790 1.00 53.12 H new ATOM 0 HA ALA A 45 22.619 -22.331 -9.820 1.00 25.52 H new ATOM 0 HB1 ALA A 45 20.173 -22.522 -10.095 1.00 3.34 H new ATOM 0 HB2 ALA A 45 20.604 -21.867 -8.497 1.00 3.34 H new ATOM 0 HB3 ALA A 45 20.005 -20.780 -9.772 1.00 3.34 H new ATOM 322 N SER A 46 21.889 -19.968 -11.963 1.00 12.12 N ATOM 323 CA SER A 46 21.895 -19.614 -13.377 1.00 65.21 C ATOM 324 C SER A 46 23.319 -19.387 -13.879 1.00 4.14 C ATOM 325 O SER A 46 23.695 -19.880 -14.942 1.00 12.43 O ATOM 326 CB SER A 46 21.049 -18.361 -13.617 1.00 32.53 C ATOM 327 OG SER A 46 21.804 -17.182 -13.402 1.00 35.25 O ATOM 0 H SER A 46 21.745 -19.179 -11.333 1.00 12.12 H new ATOM 0 HA SER A 46 21.463 -20.446 -13.933 1.00 65.21 H new ATOM 0 HB2 SER A 46 20.665 -18.369 -14.637 1.00 32.53 H new ATOM 0 HB3 SER A 46 20.186 -18.369 -12.951 1.00 32.53 H new ATOM 0 HG SER A 46 21.239 -16.398 -13.564 1.00 35.25 H new ATOM 333 N GLU A 47 24.108 -18.638 -13.110 1.00 21.31 N ATOM 334 CA GLU A 47 25.488 -18.357 -13.490 1.00 3.12 C ATOM 335 C GLU A 47 26.281 -19.651 -13.655 1.00 14.25 C ATOM 336 O GLU A 47 27.313 -19.675 -14.320 1.00 5.21 O ATOM 337 CB GLU A 47 26.168 -17.449 -12.458 1.00 54.42 C ATOM 338 CG GLU A 47 26.479 -18.141 -11.141 1.00 20.41 C ATOM 339 CD GLU A 47 27.793 -18.897 -11.175 1.00 21.50 C ATOM 340 OE1 GLU A 47 28.736 -18.419 -11.841 1.00 24.13 O ATOM 341 OE2 GLU A 47 27.879 -19.966 -10.536 1.00 44.11 O ATOM 0 H GLU A 47 23.817 -18.219 -12.227 1.00 21.31 H new ATOM 0 HA GLU A 47 25.469 -17.837 -14.448 1.00 3.12 H new ATOM 0 HB2 GLU A 47 27.095 -17.063 -12.882 1.00 54.42 H new ATOM 0 HB3 GLU A 47 25.525 -16.591 -12.264 1.00 54.42 H new ATOM 0 HG2 GLU A 47 26.512 -17.398 -10.344 1.00 20.41 H new ATOM 0 HG3 GLU A 47 25.672 -18.833 -10.899 1.00 20.41 H new ATOM 348 N LYS A 48 25.791 -20.732 -13.055 1.00 23.14 N ATOM 349 CA LYS A 48 26.466 -22.018 -13.169 1.00 53.42 C ATOM 350 C LYS A 48 26.253 -22.588 -14.562 1.00 51.03 C ATOM 351 O LYS A 48 27.132 -23.245 -15.119 1.00 50.34 O ATOM 352 CB LYS A 48 25.955 -22.996 -12.109 1.00 20.31 C ATOM 353 CG LYS A 48 26.939 -24.109 -11.784 1.00 64.43 C ATOM 354 CD LYS A 48 27.681 -23.837 -10.485 1.00 63.11 C ATOM 355 CE LYS A 48 29.162 -24.155 -10.612 1.00 41.25 C ATOM 356 NZ LYS A 48 29.812 -24.315 -9.282 1.00 60.43 N ATOM 0 H LYS A 48 24.940 -20.743 -12.492 1.00 23.14 H new ATOM 0 HA LYS A 48 27.533 -21.868 -13.004 1.00 53.42 H new ATOM 0 HB2 LYS A 48 25.729 -22.444 -11.197 1.00 20.31 H new ATOM 0 HB3 LYS A 48 25.020 -23.438 -12.455 1.00 20.31 H new ATOM 0 HG2 LYS A 48 26.406 -25.056 -11.708 1.00 64.43 H new ATOM 0 HG3 LYS A 48 27.656 -24.211 -12.599 1.00 64.43 H new ATOM 0 HD2 LYS A 48 27.555 -22.791 -10.205 1.00 63.11 H new ATOM 0 HD3 LYS A 48 27.247 -24.436 -9.684 1.00 63.11 H new ATOM 0 HE2 LYS A 48 29.288 -25.070 -11.190 1.00 41.25 H new ATOM 0 HE3 LYS A 48 29.658 -23.358 -11.165 1.00 41.25 H new ATOM 0 HZ1 LYS A 48 30.821 -24.531 -9.412 1.00 60.43 H new ATOM 0 HZ2 LYS A 48 29.714 -23.433 -8.739 1.00 60.43 H new ATOM 0 HZ3 LYS A 48 29.356 -25.093 -8.764 1.00 60.43 H new ATOM 370 N ALA A 49 25.089 -22.302 -15.129 1.00 21.21 N ATOM 371 CA ALA A 49 24.767 -22.755 -16.469 1.00 13.30 C ATOM 372 C ALA A 49 24.730 -21.583 -17.432 1.00 51.53 C ATOM 373 O ALA A 49 24.177 -21.698 -18.522 1.00 2.24 O ATOM 374 CB ALA A 49 23.441 -23.491 -16.497 1.00 3.01 C ATOM 0 H ALA A 49 24.353 -21.758 -14.679 1.00 21.21 H new ATOM 0 HA ALA A 49 25.549 -23.447 -16.782 1.00 13.30 H new ATOM 0 HB1 ALA A 49 23.228 -23.818 -17.515 1.00 3.01 H new ATOM 0 HB2 ALA A 49 23.493 -24.359 -15.840 1.00 3.01 H new ATOM 0 HB3 ALA A 49 22.648 -22.825 -16.156 1.00 3.01 H new ATOM 380 N LEU A 50 25.337 -20.455 -17.050 1.00 4.21 N ATOM 381 CA LEU A 50 25.360 -19.309 -17.939 1.00 1.10 C ATOM 382 C LEU A 50 26.113 -19.643 -19.216 1.00 2.14 C ATOM 383 O LEU A 50 25.717 -19.233 -20.299 1.00 2.12 O ATOM 384 CB LEU A 50 25.931 -18.046 -17.285 1.00 72.42 C ATOM 385 CG LEU A 50 27.323 -18.149 -16.662 1.00 45.53 C ATOM 386 CD1 LEU A 50 28.400 -18.015 -17.734 1.00 45.43 C ATOM 387 CD2 LEU A 50 27.507 -17.084 -15.588 1.00 62.34 C ATOM 0 H LEU A 50 25.805 -20.320 -16.154 1.00 4.21 H new ATOM 0 HA LEU A 50 24.322 -19.083 -18.182 1.00 1.10 H new ATOM 0 HB2 LEU A 50 25.955 -17.258 -18.037 1.00 72.42 H new ATOM 0 HB3 LEU A 50 25.237 -17.724 -16.509 1.00 72.42 H new ATOM 0 HG LEU A 50 27.419 -19.130 -16.196 1.00 45.53 H new ATOM 0 HD11 LEU A 50 29.384 -18.091 -17.272 1.00 45.43 H new ATOM 0 HD12 LEU A 50 28.282 -18.811 -18.470 1.00 45.43 H new ATOM 0 HD13 LEU A 50 28.304 -17.048 -18.227 1.00 45.43 H new ATOM 0 HD21 LEU A 50 28.503 -17.172 -15.155 1.00 62.34 H new ATOM 0 HD22 LEU A 50 27.390 -16.095 -16.032 1.00 62.34 H new ATOM 0 HD23 LEU A 50 26.759 -17.222 -14.807 1.00 62.34 H new ATOM 399 N PRO A 51 27.175 -20.443 -19.105 1.00 40.33 N ATOM 400 CA PRO A 51 27.952 -20.884 -20.252 1.00 44.42 C ATOM 401 C PRO A 51 27.220 -22.005 -20.979 1.00 34.52 C ATOM 402 O PRO A 51 27.569 -22.384 -22.096 1.00 10.04 O ATOM 403 CB PRO A 51 29.257 -21.382 -19.632 1.00 33.31 C ATOM 404 CG PRO A 51 28.914 -21.767 -18.228 1.00 42.45 C ATOM 405 CD PRO A 51 27.651 -21.028 -17.853 1.00 20.43 C ATOM 0 HA PRO A 51 28.118 -20.101 -20.992 1.00 44.42 H new ATOM 0 HB2 PRO A 51 29.654 -22.233 -20.186 1.00 33.31 H new ATOM 0 HB3 PRO A 51 30.021 -20.605 -19.650 1.00 33.31 H new ATOM 0 HG2 PRO A 51 28.766 -22.844 -18.151 1.00 42.45 H new ATOM 0 HG3 PRO A 51 29.727 -21.507 -17.549 1.00 42.45 H new ATOM 0 HD2 PRO A 51 26.910 -21.703 -17.425 1.00 20.43 H new ATOM 0 HD3 PRO A 51 27.850 -20.258 -17.107 1.00 20.43 H new ATOM 413 N VAL A 52 26.180 -22.511 -20.318 1.00 1.23 N ATOM 414 CA VAL A 52 25.348 -23.570 -20.856 1.00 13.33 C ATOM 415 C VAL A 52 23.989 -23.018 -21.268 1.00 70.50 C ATOM 416 O VAL A 52 23.216 -23.691 -21.944 1.00 61.31 O ATOM 417 CB VAL A 52 25.166 -24.701 -19.822 1.00 70.52 C ATOM 418 CG1 VAL A 52 24.116 -25.702 -20.271 1.00 75.43 C ATOM 419 CG2 VAL A 52 26.492 -25.395 -19.553 1.00 71.14 C ATOM 0 H VAL A 52 25.895 -22.193 -19.392 1.00 1.23 H new ATOM 0 HA VAL A 52 25.845 -23.980 -21.735 1.00 13.33 H new ATOM 0 HB VAL A 52 24.815 -24.251 -18.894 1.00 70.52 H new ATOM 0 HG11 VAL A 52 24.014 -26.484 -19.519 1.00 75.43 H new ATOM 0 HG12 VAL A 52 23.160 -25.194 -20.398 1.00 75.43 H new ATOM 0 HG13 VAL A 52 24.419 -26.147 -21.219 1.00 75.43 H new ATOM 0 HG21 VAL A 52 26.345 -26.190 -18.822 1.00 71.14 H new ATOM 0 HG22 VAL A 52 26.874 -25.822 -20.480 1.00 71.14 H new ATOM 0 HG23 VAL A 52 27.209 -24.672 -19.164 1.00 71.14 H new ATOM 429 N VAL A 53 23.726 -21.778 -20.872 1.00 25.14 N ATOM 430 CA VAL A 53 22.489 -21.100 -21.216 1.00 42.14 C ATOM 431 C VAL A 53 22.781 -20.074 -22.301 1.00 71.21 C ATOM 432 O VAL A 53 21.940 -19.790 -23.154 1.00 32.11 O ATOM 433 CB VAL A 53 21.863 -20.400 -19.991 1.00 64.13 C ATOM 434 CG1 VAL A 53 20.640 -19.589 -20.393 1.00 55.35 C ATOM 435 CG2 VAL A 53 21.502 -21.422 -18.923 1.00 53.01 C ATOM 0 H VAL A 53 24.364 -21.219 -20.306 1.00 25.14 H new ATOM 0 HA VAL A 53 21.773 -21.841 -21.572 1.00 42.14 H new ATOM 0 HB VAL A 53 22.601 -19.712 -19.578 1.00 64.13 H new ATOM 0 HG11 VAL A 53 20.218 -19.106 -19.512 1.00 55.35 H new ATOM 0 HG12 VAL A 53 20.930 -18.830 -21.119 1.00 55.35 H new ATOM 0 HG13 VAL A 53 19.895 -20.250 -20.836 1.00 55.35 H new ATOM 0 HG21 VAL A 53 21.062 -20.912 -18.066 1.00 53.01 H new ATOM 0 HG22 VAL A 53 20.784 -22.135 -19.329 1.00 53.01 H new ATOM 0 HG23 VAL A 53 22.401 -21.952 -18.608 1.00 53.01 H new ATOM 445 N VAL A 54 24.000 -19.538 -22.268 1.00 34.01 N ATOM 446 CA VAL A 54 24.434 -18.564 -23.252 1.00 0.54 C ATOM 447 C VAL A 54 24.902 -19.259 -24.511 1.00 43.33 C ATOM 448 O VAL A 54 24.626 -18.809 -25.613 1.00 1.35 O ATOM 449 CB VAL A 54 25.577 -17.676 -22.724 1.00 63.30 C ATOM 450 CG1 VAL A 54 25.171 -16.971 -21.436 1.00 4.20 C ATOM 451 CG2 VAL A 54 26.854 -18.484 -22.521 1.00 42.25 C ATOM 0 H VAL A 54 24.703 -19.767 -21.565 1.00 34.01 H new ATOM 0 HA VAL A 54 23.574 -17.930 -23.467 1.00 0.54 H new ATOM 0 HB VAL A 54 25.779 -16.914 -23.477 1.00 63.30 H new ATOM 0 HG11 VAL A 54 25.996 -16.351 -21.085 1.00 4.20 H new ATOM 0 HG12 VAL A 54 24.300 -16.344 -21.624 1.00 4.20 H new ATOM 0 HG13 VAL A 54 24.926 -17.713 -20.676 1.00 4.20 H new ATOM 0 HG21 VAL A 54 27.643 -17.831 -22.148 1.00 42.25 H new ATOM 0 HG22 VAL A 54 26.670 -19.280 -21.799 1.00 42.25 H new ATOM 0 HG23 VAL A 54 27.163 -18.920 -23.471 1.00 42.25 H new ATOM 461 N GLY A 55 25.610 -20.364 -24.335 1.00 4.41 N ATOM 462 CA GLY A 55 26.104 -21.110 -25.473 1.00 40.35 C ATOM 463 C GLY A 55 25.043 -21.300 -26.531 1.00 74.25 C ATOM 464 O GLY A 55 25.347 -21.384 -27.716 1.00 33.24 O ATOM 0 H GLY A 55 25.851 -20.757 -23.425 1.00 4.41 H new ATOM 0 HA2 GLY A 55 26.957 -20.588 -25.906 1.00 40.35 H new ATOM 0 HA3 GLY A 55 26.462 -22.084 -25.140 1.00 40.35 H new ATOM 468 N ILE A 56 23.788 -21.348 -26.098 1.00 65.23 N ATOM 469 CA ILE A 56 22.674 -21.507 -27.031 1.00 63.11 C ATOM 470 C ILE A 56 22.265 -20.149 -27.576 1.00 25.35 C ATOM 471 O ILE A 56 21.946 -20.007 -28.757 1.00 64.43 O ATOM 472 CB ILE A 56 21.449 -22.175 -26.374 1.00 4.04 C ATOM 473 CG1 ILE A 56 21.888 -23.179 -25.311 1.00 64.43 C ATOM 474 CG2 ILE A 56 20.588 -22.855 -27.428 1.00 0.44 C ATOM 475 CD1 ILE A 56 21.861 -22.606 -23.914 1.00 42.32 C ATOM 0 H ILE A 56 23.516 -21.280 -25.117 1.00 65.23 H new ATOM 0 HA ILE A 56 23.018 -22.157 -27.836 1.00 63.11 H new ATOM 0 HB ILE A 56 20.855 -21.402 -25.887 1.00 4.04 H new ATOM 0 HG12 ILE A 56 21.237 -24.052 -25.353 1.00 64.43 H new ATOM 0 HG13 ILE A 56 22.897 -23.523 -25.538 1.00 64.43 H new ATOM 0 HG21 ILE A 56 19.727 -23.322 -26.949 1.00 0.44 H new ATOM 0 HG22 ILE A 56 20.244 -22.114 -28.150 1.00 0.44 H new ATOM 0 HG23 ILE A 56 21.175 -23.617 -27.941 1.00 0.44 H new ATOM 0 HD11 ILE A 56 22.183 -23.366 -23.203 1.00 42.32 H new ATOM 0 HD12 ILE A 56 22.533 -21.750 -23.859 1.00 42.32 H new ATOM 0 HD13 ILE A 56 20.847 -22.288 -23.671 1.00 42.32 H new ATOM 487 N LYS A 57 22.302 -19.146 -26.709 1.00 60.12 N ATOM 488 CA LYS A 57 21.968 -17.788 -27.105 1.00 4.11 C ATOM 489 C LYS A 57 23.142 -17.175 -27.858 1.00 14.31 C ATOM 490 O LYS A 57 22.976 -16.229 -28.628 1.00 22.14 O ATOM 491 CB LYS A 57 21.623 -16.940 -25.878 1.00 5.51 C ATOM 492 CG LYS A 57 20.129 -16.784 -25.647 1.00 14.43 C ATOM 493 CD LYS A 57 19.835 -15.728 -24.594 1.00 62.30 C ATOM 494 CE LYS A 57 20.165 -16.228 -23.196 1.00 53.11 C ATOM 495 NZ LYS A 57 19.202 -15.719 -22.181 1.00 61.42 N ATOM 0 H LYS A 57 22.560 -19.249 -25.728 1.00 60.12 H new ATOM 0 HA LYS A 57 21.095 -17.813 -27.758 1.00 4.11 H new ATOM 0 HB2 LYS A 57 22.073 -17.393 -24.995 1.00 5.51 H new ATOM 0 HB3 LYS A 57 22.070 -15.952 -25.992 1.00 5.51 H new ATOM 0 HG2 LYS A 57 19.642 -16.511 -26.583 1.00 14.43 H new ATOM 0 HG3 LYS A 57 19.707 -17.739 -25.334 1.00 14.43 H new ATOM 0 HD2 LYS A 57 20.414 -14.830 -24.806 1.00 62.30 H new ATOM 0 HD3 LYS A 57 18.783 -15.447 -24.642 1.00 62.30 H new ATOM 0 HE2 LYS A 57 20.157 -17.318 -23.189 1.00 53.11 H new ATOM 0 HE3 LYS A 57 21.174 -15.915 -22.928 1.00 53.11 H new ATOM 0 HZ1 LYS A 57 19.462 -16.083 -21.242 1.00 61.42 H new ATOM 0 HZ2 LYS A 57 19.228 -14.679 -22.169 1.00 61.42 H new ATOM 0 HZ3 LYS A 57 18.242 -16.039 -22.422 1.00 61.42 H new ATOM 509 N ALA A 58 24.332 -17.733 -27.635 1.00 12.10 N ATOM 510 CA ALA A 58 25.536 -17.258 -28.296 1.00 12.42 C ATOM 511 C ALA A 58 25.692 -17.925 -29.660 1.00 14.00 C ATOM 512 O ALA A 58 26.291 -17.360 -30.575 1.00 51.54 O ATOM 513 CB ALA A 58 26.753 -17.519 -27.420 1.00 44.55 C ATOM 0 H ALA A 58 24.483 -18.516 -26.999 1.00 12.10 H new ATOM 0 HA ALA A 58 25.452 -16.183 -28.453 1.00 12.42 H new ATOM 0 HB1 ALA A 58 27.649 -17.159 -27.925 1.00 44.55 H new ATOM 0 HB2 ALA A 58 26.637 -16.996 -26.471 1.00 44.55 H new ATOM 0 HB3 ALA A 58 26.846 -18.589 -27.236 1.00 44.55 H new ATOM 519 N ILE A 59 25.133 -19.126 -29.788 1.00 14.45 N ATOM 520 CA ILE A 59 25.189 -19.871 -31.040 1.00 53.02 C ATOM 521 C ILE A 59 23.975 -19.561 -31.898 1.00 64.20 C ATOM 522 O ILE A 59 24.093 -19.308 -33.097 1.00 53.21 O ATOM 523 CB ILE A 59 25.269 -21.387 -30.790 1.00 4.23 C ATOM 524 CG1 ILE A 59 24.054 -21.884 -30.009 1.00 52.44 C ATOM 525 CG2 ILE A 59 26.549 -21.713 -30.051 1.00 54.32 C ATOM 526 CD1 ILE A 59 22.909 -22.336 -30.889 1.00 25.14 C ATOM 0 H ILE A 59 24.635 -19.604 -29.037 1.00 14.45 H new ATOM 0 HA ILE A 59 26.093 -19.560 -31.565 1.00 53.02 H new ATOM 0 HB ILE A 59 25.271 -21.898 -31.753 1.00 4.23 H new ATOM 0 HG12 ILE A 59 24.358 -22.713 -29.370 1.00 52.44 H new ATOM 0 HG13 ILE A 59 23.704 -21.087 -29.353 1.00 52.44 H new ATOM 0 HG21 ILE A 59 26.604 -22.787 -29.875 1.00 54.32 H new ATOM 0 HG22 ILE A 59 27.404 -21.399 -30.649 1.00 54.32 H new ATOM 0 HG23 ILE A 59 26.562 -21.188 -29.096 1.00 54.32 H new ATOM 0 HD11 ILE A 59 22.082 -22.675 -30.265 1.00 25.14 H new ATOM 0 HD12 ILE A 59 22.577 -21.504 -31.510 1.00 25.14 H new ATOM 0 HD13 ILE A 59 23.242 -23.155 -31.527 1.00 25.14 H new ATOM 538 N GLY A 60 22.809 -19.557 -31.266 1.00 74.43 N ATOM 539 CA GLY A 60 21.589 -19.245 -31.973 1.00 70.21 C ATOM 540 C GLY A 60 21.308 -17.757 -31.956 1.00 34.14 C ATOM 541 O GLY A 60 20.323 -17.293 -32.530 1.00 33.43 O ATOM 0 H GLY A 60 22.689 -19.765 -30.275 1.00 74.43 H new ATOM 0 HA2 GLY A 60 21.665 -19.591 -33.004 1.00 70.21 H new ATOM 0 HA3 GLY A 60 20.755 -19.780 -31.518 1.00 70.21 H new ATOM 545 N LYS A 61 22.185 -17.006 -31.288 1.00 11.20 N ATOM 546 CA LYS A 61 22.035 -15.559 -31.193 1.00 51.24 C ATOM 547 C LYS A 61 20.719 -15.192 -30.515 1.00 11.44 C ATOM 548 O LYS A 61 20.051 -16.106 -29.987 1.00 13.23 O ATOM 549 CB LYS A 61 22.101 -14.924 -32.583 1.00 44.05 C ATOM 550 CG LYS A 61 23.501 -14.486 -32.985 1.00 72.21 C ATOM 551 CD LYS A 61 23.475 -13.187 -33.774 1.00 72.22 C ATOM 552 CE LYS A 61 24.879 -12.708 -34.104 1.00 54.05 C ATOM 553 NZ LYS A 61 24.922 -11.954 -35.386 1.00 21.44 N ATOM 554 OXT LYS A 61 20.366 -13.994 -30.518 1.00 37.84 O ATOM 0 H LYS A 61 23.004 -17.378 -30.807 1.00 11.20 H new ATOM 0 HA LYS A 61 22.855 -15.174 -30.587 1.00 51.24 H new ATOM 0 HB2 LYS A 61 21.727 -15.637 -33.318 1.00 44.05 H new ATOM 0 HB3 LYS A 61 21.437 -14.060 -32.611 1.00 44.05 H new ATOM 0 HG2 LYS A 61 24.113 -14.358 -32.092 1.00 72.21 H new ATOM 0 HG3 LYS A 61 23.969 -15.267 -33.584 1.00 72.21 H new ATOM 0 HD2 LYS A 61 22.912 -13.331 -34.696 1.00 72.22 H new ATOM 0 HD3 LYS A 61 22.954 -12.421 -33.199 1.00 72.22 H new ATOM 0 HE2 LYS A 61 25.245 -12.073 -33.297 1.00 54.05 H new ATOM 0 HE3 LYS A 61 25.550 -13.565 -34.164 1.00 54.05 H new ATOM 0 HZ1 LYS A 61 25.897 -11.645 -35.574 1.00 21.44 H new ATOM 0 HZ2 LYS A 61 24.597 -12.567 -36.161 1.00 21.44 H new ATOM 0 HZ3 LYS A 61 24.302 -11.122 -35.320 1.00 21.44 H new