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+ 154:sc= -0.664 (180deg=-2.01!) 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+ 178:sc= -0.0151 (180deg=-0.0245) 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 3.591 -0.199 1.510 1.00 13.00 N ATOM 2 CA GLY A 26 3.369 -0.177 0.038 1.00 45.03 C ATOM 3 C GLY A 26 3.618 -1.527 -0.607 1.00 70.02 C ATOM 4 O GLY A 26 4.761 -1.973 -0.705 1.00 0.31 O ATOM 0 HA2 GLY A 26 2.346 0.137 -0.167 1.00 45.03 H new ATOM 0 HA3 GLY A 26 4.027 0.565 -0.414 1.00 45.03 H new ATOM 10 N GLY A 27 2.546 -2.178 -1.045 1.00 51.53 N ATOM 11 CA GLY A 27 2.676 -3.478 -1.677 1.00 2.04 C ATOM 12 C GLY A 27 3.404 -3.411 -3.006 1.00 12.20 C ATOM 13 O GLY A 27 3.950 -4.412 -3.470 1.00 32.12 O ATOM 0 H GLY A 27 1.590 -1.829 -0.974 1.00 51.53 H new ATOM 0 HA2 GLY A 27 3.211 -4.151 -1.007 1.00 2.04 H new ATOM 0 HA3 GLY A 27 1.684 -3.904 -1.831 1.00 2.04 H new ATOM 17 N LEU A 28 3.416 -2.230 -3.621 1.00 61.10 N ATOM 18 CA LEU A 28 4.088 -2.045 -4.904 1.00 74.41 C ATOM 19 C LEU A 28 5.550 -2.447 -4.791 1.00 20.54 C ATOM 20 O LEU A 28 6.003 -3.381 -5.453 1.00 21.41 O ATOM 21 CB LEU A 28 3.975 -0.589 -5.369 1.00 21.12 C ATOM 22 CG LEU A 28 2.602 0.069 -5.166 1.00 65.42 C ATOM 23 CD1 LEU A 28 1.488 -0.969 -5.173 1.00 71.40 C ATOM 24 CD2 LEU A 28 2.582 0.869 -3.871 1.00 71.24 C ATOM 0 H LEU A 28 2.970 -1.390 -3.253 1.00 61.10 H new ATOM 0 HA LEU A 28 3.601 -2.681 -5.643 1.00 74.41 H new ATOM 0 HB2 LEU A 28 4.723 0.002 -4.839 1.00 21.12 H new ATOM 0 HB3 LEU A 28 4.226 -0.545 -6.429 1.00 21.12 H new ATOM 0 HG LEU A 28 2.428 0.751 -5.999 1.00 65.42 H new ATOM 0 HD11 LEU A 28 0.528 -0.474 -5.027 1.00 71.40 H new ATOM 0 HD12 LEU A 28 1.485 -1.493 -6.129 1.00 71.40 H new ATOM 0 HD13 LEU A 28 1.653 -1.685 -4.368 1.00 71.40 H new ATOM 0 HD21 LEU A 28 1.602 1.329 -3.742 1.00 71.24 H new ATOM 0 HD22 LEU A 28 2.785 0.206 -3.030 1.00 71.24 H new ATOM 0 HD23 LEU A 28 3.345 1.646 -3.912 1.00 71.24 H new ATOM 36 N LYS A 29 6.277 -1.754 -3.925 1.00 72.33 N ATOM 37 CA LYS A 29 7.679 -2.061 -3.698 1.00 41.41 C ATOM 38 C LYS A 29 7.811 -3.460 -3.106 1.00 31.54 C ATOM 39 O LYS A 29 8.854 -4.103 -3.222 1.00 43.31 O ATOM 40 CB LYS A 29 8.309 -1.027 -2.760 1.00 60.12 C ATOM 41 CG LYS A 29 9.112 0.041 -3.485 1.00 61.43 C ATOM 42 CD LYS A 29 10.568 -0.365 -3.638 1.00 43.13 C ATOM 43 CE LYS A 29 11.444 0.286 -2.579 1.00 61.20 C ATOM 44 NZ LYS A 29 12.823 -0.273 -2.578 1.00 34.32 N ATOM 0 H LYS A 29 5.918 -0.977 -3.370 1.00 72.33 H new ATOM 0 HA LYS A 29 8.206 -2.026 -4.651 1.00 41.41 H new ATOM 0 HB2 LYS A 29 7.521 -0.547 -2.180 1.00 60.12 H new ATOM 0 HB3 LYS A 29 8.959 -1.540 -2.051 1.00 60.12 H new ATOM 0 HG2 LYS A 29 8.678 0.219 -4.469 1.00 61.43 H new ATOM 0 HG3 LYS A 29 9.051 0.980 -2.935 1.00 61.43 H new ATOM 0 HD2 LYS A 29 10.654 -1.449 -3.566 1.00 43.13 H new ATOM 0 HD3 LYS A 29 10.923 -0.082 -4.629 1.00 43.13 H new ATOM 0 HE2 LYS A 29 11.488 1.361 -2.755 1.00 61.20 H new ATOM 0 HE3 LYS A 29 10.993 0.142 -1.597 1.00 61.20 H new ATOM 0 HZ1 LYS A 29 13.388 0.197 -1.842 1.00 34.32 H new ATOM 0 HZ2 LYS A 29 12.784 -1.294 -2.385 1.00 34.32 H new ATOM 0 HZ3 LYS A 29 13.263 -0.113 -3.507 1.00 34.32 H new ATOM 58 N LYS A 30 6.735 -3.924 -2.470 1.00 30.10 N ATOM 59 CA LYS A 30 6.715 -5.245 -1.858 1.00 13.01 C ATOM 60 C LYS A 30 6.792 -6.338 -2.919 1.00 31.13 C ATOM 61 O LYS A 30 7.470 -7.348 -2.738 1.00 12.51 O ATOM 62 CB LYS A 30 5.445 -5.418 -1.020 1.00 60.05 C ATOM 63 CG LYS A 30 5.650 -6.259 0.230 1.00 42.03 C ATOM 64 CD LYS A 30 5.680 -5.397 1.483 1.00 43.24 C ATOM 65 CE LYS A 30 4.306 -4.829 1.801 1.00 51.02 C ATOM 66 NZ LYS A 30 3.509 -5.747 2.661 1.00 21.15 N ATOM 0 H LYS A 30 5.866 -3.400 -2.367 1.00 30.10 H new ATOM 0 HA LYS A 30 7.587 -5.334 -1.210 1.00 13.01 H new ATOM 0 HB2 LYS A 30 5.075 -4.435 -0.730 1.00 60.05 H new ATOM 0 HB3 LYS A 30 4.673 -5.880 -1.636 1.00 60.05 H new ATOM 0 HG2 LYS A 30 4.848 -6.993 0.311 1.00 42.03 H new ATOM 0 HG3 LYS A 30 6.584 -6.815 0.147 1.00 42.03 H new ATOM 0 HD2 LYS A 30 6.034 -5.991 2.326 1.00 43.24 H new ATOM 0 HD3 LYS A 30 6.390 -4.581 1.348 1.00 43.24 H new ATOM 0 HE2 LYS A 30 4.418 -3.868 2.303 1.00 51.02 H new ATOM 0 HE3 LYS A 30 3.767 -4.643 0.872 1.00 51.02 H new ATOM 0 HZ1 LYS A 30 2.580 -5.322 2.854 1.00 21.15 H new ATOM 0 HZ2 LYS A 30 3.380 -6.656 2.172 1.00 21.15 H new ATOM 0 HZ3 LYS A 30 4.011 -5.905 3.558 1.00 21.15 H new ATOM 80 N LEU A 31 6.089 -6.126 -4.028 1.00 40.34 N ATOM 81 CA LEU A 31 6.076 -7.091 -5.122 1.00 55.31 C ATOM 82 C LEU A 31 7.339 -6.970 -5.969 1.00 11.41 C ATOM 83 O LEU A 31 7.891 -7.971 -6.424 1.00 23.44 O ATOM 84 CB LEU A 31 4.840 -6.884 -5.997 1.00 13.13 C ATOM 85 CG LEU A 31 4.726 -7.833 -7.192 1.00 1.11 C ATOM 86 CD1 LEU A 31 4.683 -9.279 -6.722 1.00 31.44 C ATOM 87 CD2 LEU A 31 3.492 -7.502 -8.019 1.00 61.15 C ATOM 0 H LEU A 31 5.521 -5.295 -4.192 1.00 40.34 H new ATOM 0 HA LEU A 31 6.044 -8.091 -4.691 1.00 55.31 H new ATOM 0 HB2 LEU A 31 3.951 -6.997 -5.376 1.00 13.13 H new ATOM 0 HB3 LEU A 31 4.842 -5.858 -6.366 1.00 13.13 H new ATOM 0 HG LEU A 31 5.606 -7.703 -7.821 1.00 1.11 H new ATOM 0 HD11 LEU A 31 4.602 -9.940 -7.585 1.00 31.44 H new ATOM 0 HD12 LEU A 31 5.595 -9.510 -6.172 1.00 31.44 H new ATOM 0 HD13 LEU A 31 3.821 -9.425 -6.071 1.00 31.44 H new ATOM 0 HD21 LEU A 31 3.426 -8.187 -8.865 1.00 61.15 H new ATOM 0 HD22 LEU A 31 2.601 -7.604 -7.400 1.00 61.15 H new ATOM 0 HD23 LEU A 31 3.564 -6.478 -8.386 1.00 61.15 H new ATOM 99 N GLY A 32 7.789 -5.737 -6.177 1.00 1.20 N ATOM 100 CA GLY A 32 8.982 -5.506 -6.969 1.00 33.44 C ATOM 101 C GLY A 32 10.249 -5.941 -6.257 1.00 23.02 C ATOM 102 O GLY A 32 11.269 -6.197 -6.897 1.00 73.11 O ATOM 0 H GLY A 32 7.348 -4.893 -5.811 1.00 1.20 H new ATOM 0 HA2 GLY A 32 8.897 -6.045 -7.913 1.00 33.44 H new ATOM 0 HA3 GLY A 32 9.052 -4.446 -7.212 1.00 33.44 H new ATOM 106 N LYS A 33 10.187 -6.020 -4.931 1.00 21.44 N ATOM 107 CA LYS A 33 11.341 -6.424 -4.135 1.00 31.32 C ATOM 108 C LYS A 33 11.276 -7.909 -3.789 1.00 24.12 C ATOM 109 O LYS A 33 12.305 -8.549 -3.568 1.00 22.31 O ATOM 110 CB LYS A 33 11.416 -5.593 -2.853 1.00 61.15 C ATOM 111 CG LYS A 33 12.823 -5.475 -2.285 1.00 52.24 C ATOM 112 CD LYS A 33 12.936 -6.151 -0.927 1.00 35.43 C ATOM 113 CE LYS A 33 14.316 -6.755 -0.719 1.00 51.03 C ATOM 114 NZ LYS A 33 14.617 -6.968 0.723 1.00 54.32 N ATOM 0 H LYS A 33 9.351 -5.810 -4.386 1.00 21.44 H new ATOM 0 HA LYS A 33 12.238 -6.249 -4.729 1.00 31.32 H new ATOM 0 HB2 LYS A 33 11.030 -4.594 -3.054 1.00 61.15 H new ATOM 0 HB3 LYS A 33 10.766 -6.041 -2.101 1.00 61.15 H new ATOM 0 HG2 LYS A 33 13.535 -5.926 -2.977 1.00 52.24 H new ATOM 0 HG3 LYS A 33 13.092 -4.423 -2.192 1.00 52.24 H new ATOM 0 HD2 LYS A 33 12.733 -5.425 -0.140 1.00 35.43 H new ATOM 0 HD3 LYS A 33 12.180 -6.931 -0.844 1.00 35.43 H new ATOM 0 HE2 LYS A 33 14.379 -7.706 -1.247 1.00 51.03 H new ATOM 0 HE3 LYS A 33 15.069 -6.098 -1.154 1.00 51.03 H new ATOM 0 HZ1 LYS A 33 15.566 -7.381 0.822 1.00 54.32 H new ATOM 0 HZ2 LYS A 33 14.582 -6.057 1.223 1.00 54.32 H new ATOM 0 HZ3 LYS A 33 13.913 -7.615 1.133 1.00 54.32 H new ATOM 128 N LYS A 34 10.064 -8.452 -3.744 1.00 63.45 N ATOM 129 CA LYS A 34 9.869 -9.862 -3.425 1.00 62.14 C ATOM 130 C LYS A 34 10.453 -10.749 -4.517 1.00 52.15 C ATOM 131 O LYS A 34 11.351 -11.554 -4.267 1.00 41.10 O ATOM 132 CB LYS A 34 8.380 -10.164 -3.252 1.00 64.12 C ATOM 133 CG LYS A 34 8.091 -11.604 -2.860 1.00 2.34 C ATOM 134 CD LYS A 34 8.621 -11.920 -1.471 1.00 40.22 C ATOM 135 CE LYS A 34 7.524 -11.826 -0.422 1.00 35.22 C ATOM 136 NZ LYS A 34 8.079 -11.790 0.959 1.00 11.20 N ATOM 0 H LYS A 34 9.202 -7.937 -3.924 1.00 63.45 H new ATOM 0 HA LYS A 34 10.388 -10.074 -2.490 1.00 62.14 H new ATOM 0 HB2 LYS A 34 7.970 -9.500 -2.491 1.00 64.12 H new ATOM 0 HB3 LYS A 34 7.862 -9.939 -4.184 1.00 64.12 H new ATOM 0 HG2 LYS A 34 7.016 -11.781 -2.889 1.00 2.34 H new ATOM 0 HG3 LYS A 34 8.545 -12.278 -3.586 1.00 2.34 H new ATOM 0 HD2 LYS A 34 9.049 -12.922 -1.463 1.00 40.22 H new ATOM 0 HD3 LYS A 34 9.425 -11.228 -1.221 1.00 40.22 H new ATOM 0 HE2 LYS A 34 6.929 -10.930 -0.598 1.00 35.22 H new ATOM 0 HE3 LYS A 34 6.852 -12.679 -0.521 1.00 35.22 H new ATOM 0 HZ1 LYS A 34 7.300 -11.726 1.645 1.00 11.20 H new ATOM 0 HZ2 LYS A 34 8.626 -12.657 1.136 1.00 11.20 H new ATOM 0 HZ3 LYS A 34 8.700 -10.962 1.062 1.00 11.20 H new ATOM 150 N LEU A 35 9.933 -10.595 -5.728 1.00 2.11 N ATOM 151 CA LEU A 35 10.395 -11.379 -6.868 1.00 40.24 C ATOM 152 C LEU A 35 11.885 -11.170 -7.102 1.00 10.25 C ATOM 153 O LEU A 35 12.650 -12.129 -7.206 1.00 74.41 O ATOM 154 CB LEU A 35 9.615 -10.991 -8.125 1.00 60.34 C ATOM 155 CG LEU A 35 9.803 -11.926 -9.324 1.00 20.24 C ATOM 156 CD1 LEU A 35 11.165 -11.706 -9.961 1.00 72.52 C ATOM 157 CD2 LEU A 35 9.636 -13.378 -8.903 1.00 25.45 C ATOM 0 H LEU A 35 9.189 -9.933 -5.947 1.00 2.11 H new ATOM 0 HA LEU A 35 10.223 -12.433 -6.648 1.00 40.24 H new ATOM 0 HB2 LEU A 35 8.554 -10.953 -7.877 1.00 60.34 H new ATOM 0 HB3 LEU A 35 9.910 -9.984 -8.420 1.00 60.34 H new ATOM 0 HG LEU A 35 9.036 -11.695 -10.064 1.00 20.24 H new ATOM 0 HD11 LEU A 35 11.282 -12.378 -10.811 1.00 72.52 H new ATOM 0 HD12 LEU A 35 11.245 -10.674 -10.301 1.00 72.52 H new ATOM 0 HD13 LEU A 35 11.946 -11.908 -9.228 1.00 72.52 H new ATOM 0 HD21 LEU A 35 9.773 -14.026 -9.769 1.00 25.45 H new ATOM 0 HD22 LEU A 35 10.378 -13.624 -8.144 1.00 25.45 H new ATOM 0 HD23 LEU A 35 8.636 -13.526 -8.494 1.00 25.45 H new ATOM 169 N GLU A 36 12.289 -9.908 -7.187 1.00 11.45 N ATOM 170 CA GLU A 36 13.688 -9.562 -7.413 1.00 64.53 C ATOM 171 C GLU A 36 14.592 -10.227 -6.376 1.00 31.15 C ATOM 172 O GLU A 36 15.721 -10.610 -6.679 1.00 31.11 O ATOM 173 CB GLU A 36 13.873 -8.043 -7.369 1.00 33.43 C ATOM 174 CG GLU A 36 14.057 -7.414 -8.739 1.00 25.34 C ATOM 175 CD GLU A 36 15.478 -7.544 -9.253 1.00 62.21 C ATOM 176 OE1 GLU A 36 16.414 -7.176 -8.513 1.00 5.34 O ATOM 177 OE2 GLU A 36 15.654 -8.016 -10.397 1.00 71.33 O ATOM 0 H GLU A 36 11.666 -9.105 -7.103 1.00 11.45 H new ATOM 0 HA GLU A 36 13.970 -9.928 -8.400 1.00 64.53 H new ATOM 0 HB2 GLU A 36 13.006 -7.593 -6.885 1.00 33.43 H new ATOM 0 HB3 GLU A 36 14.740 -7.808 -6.751 1.00 33.43 H new ATOM 0 HG2 GLU A 36 13.374 -7.885 -9.446 1.00 25.34 H new ATOM 0 HG3 GLU A 36 13.787 -6.359 -8.690 1.00 25.34 H new ATOM 184 N GLY A 37 14.086 -10.362 -5.155 1.00 72.32 N ATOM 185 CA GLY A 37 14.861 -10.979 -4.094 1.00 53.44 C ATOM 186 C GLY A 37 15.335 -12.373 -4.458 1.00 71.52 C ATOM 187 O GLY A 37 16.447 -12.768 -4.107 1.00 31.12 O ATOM 0 H GLY A 37 13.153 -10.055 -4.881 1.00 72.32 H new ATOM 0 HA2 GLY A 37 15.724 -10.353 -3.867 1.00 53.44 H new ATOM 0 HA3 GLY A 37 14.256 -11.029 -3.188 1.00 53.44 H new ATOM 191 N ALA A 38 14.492 -13.118 -5.165 1.00 12.05 N ATOM 192 CA ALA A 38 14.834 -14.474 -5.577 1.00 12.00 C ATOM 193 C ALA A 38 15.879 -14.457 -6.686 1.00 5.33 C ATOM 194 O ALA A 38 16.857 -15.203 -6.644 1.00 22.44 O ATOM 195 CB ALA A 38 13.588 -15.218 -6.032 1.00 74.02 C ATOM 0 H ALA A 38 13.568 -12.806 -5.464 1.00 12.05 H new ATOM 0 HA ALA A 38 15.258 -14.995 -4.719 1.00 12.00 H new ATOM 0 HB1 ALA A 38 13.859 -16.229 -6.337 1.00 74.02 H new ATOM 0 HB2 ALA A 38 12.873 -15.266 -5.211 1.00 74.02 H new ATOM 0 HB3 ALA A 38 13.138 -14.693 -6.875 1.00 74.02 H new ATOM 201 N GLY A 39 15.669 -13.601 -7.678 1.00 72.25 N ATOM 202 CA GLY A 39 16.602 -13.501 -8.783 1.00 20.41 C ATOM 203 C GLY A 39 18.020 -13.203 -8.329 1.00 55.43 C ATOM 204 O GLY A 39 18.976 -13.469 -9.056 1.00 15.41 O ATOM 0 H GLY A 39 14.867 -12.973 -7.737 1.00 72.25 H new ATOM 0 HA2 GLY A 39 16.594 -14.435 -9.345 1.00 20.41 H new ATOM 0 HA3 GLY A 39 16.270 -12.716 -9.463 1.00 20.41 H new ATOM 208 N LYS A 40 18.156 -12.645 -7.129 1.00 21.03 N ATOM 209 CA LYS A 40 19.473 -12.308 -6.592 1.00 55.50 C ATOM 210 C LYS A 40 20.234 -13.560 -6.168 1.00 44.40 C ATOM 211 O LYS A 40 21.426 -13.676 -6.426 1.00 31.41 O ATOM 212 CB LYS A 40 19.350 -11.352 -5.402 1.00 53.44 C ATOM 213 CG LYS A 40 18.177 -10.390 -5.500 1.00 2.24 C ATOM 214 CD LYS A 40 18.508 -9.042 -4.881 1.00 41.44 C ATOM 215 CE LYS A 40 18.305 -9.057 -3.374 1.00 11.22 C ATOM 216 NZ LYS A 40 19.175 -10.062 -2.706 1.00 54.23 N ATOM 0 H LYS A 40 17.376 -12.417 -6.512 1.00 21.03 H new ATOM 0 HA LYS A 40 20.031 -11.814 -7.387 1.00 55.50 H new ATOM 0 HB2 LYS A 40 19.251 -11.937 -4.488 1.00 53.44 H new ATOM 0 HB3 LYS A 40 20.272 -10.777 -5.314 1.00 53.44 H new ATOM 0 HG2 LYS A 40 17.904 -10.254 -6.546 1.00 2.24 H new ATOM 0 HG3 LYS A 40 17.310 -10.819 -4.997 1.00 2.24 H new ATOM 0 HD2 LYS A 40 19.542 -8.780 -5.108 1.00 41.44 H new ATOM 0 HD3 LYS A 40 17.879 -8.271 -5.326 1.00 41.44 H new ATOM 0 HE2 LYS A 40 18.517 -8.067 -2.969 1.00 11.22 H new ATOM 0 HE3 LYS A 40 17.261 -9.275 -3.151 1.00 11.22 H new ATOM 0 HZ1 LYS A 40 19.352 -9.770 -1.724 1.00 54.23 H new ATOM 0 HZ2 LYS A 40 18.703 -10.989 -2.712 1.00 54.23 H new ATOM 0 HZ3 LYS A 40 20.079 -10.131 -3.215 1.00 54.23 H new ATOM 230 N ARG A 41 19.544 -14.490 -5.514 1.00 14.13 N ATOM 231 CA ARG A 41 20.180 -15.728 -5.065 1.00 74.40 C ATOM 232 C ARG A 41 20.264 -16.736 -6.207 1.00 3.31 C ATOM 233 O ARG A 41 21.258 -17.449 -6.352 1.00 74.53 O ATOM 234 CB ARG A 41 19.415 -16.334 -3.881 1.00 22.31 C ATOM 235 CG ARG A 41 18.098 -16.998 -4.261 1.00 74.01 C ATOM 236 CD ARG A 41 18.297 -18.453 -4.666 1.00 71.23 C ATOM 237 NE ARG A 41 18.120 -19.364 -3.539 1.00 11.13 N ATOM 238 CZ ARG A 41 16.932 -19.747 -3.073 1.00 22.02 C ATOM 239 NH1 ARG A 41 15.816 -19.298 -3.633 1.00 12.53 N ATOM 240 NH2 ARG A 41 16.861 -20.580 -2.044 1.00 51.22 N ATOM 0 H ARG A 41 18.553 -14.413 -5.284 1.00 14.13 H new ATOM 0 HA ARG A 41 21.192 -15.487 -4.738 1.00 74.40 H new ATOM 0 HB2 ARG A 41 20.052 -17.070 -3.390 1.00 22.31 H new ATOM 0 HB3 ARG A 41 19.216 -15.549 -3.152 1.00 22.31 H new ATOM 0 HG2 ARG A 41 17.408 -16.946 -3.419 1.00 74.01 H new ATOM 0 HG3 ARG A 41 17.639 -16.451 -5.084 1.00 74.01 H new ATOM 0 HD2 ARG A 41 17.589 -18.710 -5.454 1.00 71.23 H new ATOM 0 HD3 ARG A 41 19.297 -18.580 -5.081 1.00 71.23 H new ATOM 0 HE ARG A 41 18.955 -19.729 -3.081 1.00 11.13 H new ATOM 0 HH11 ARG A 41 15.865 -18.656 -4.424 1.00 12.53 H new ATOM 0 HH12 ARG A 41 14.909 -19.595 -3.272 1.00 12.53 H new ATOM 0 HH21 ARG A 41 17.716 -20.928 -1.609 1.00 51.22 H new ATOM 0 HH22 ARG A 41 15.952 -20.873 -1.687 1.00 51.22 H new ATOM 254 N VAL A 42 19.208 -16.788 -7.009 1.00 44.44 N ATOM 255 CA VAL A 42 19.137 -17.707 -8.138 1.00 31.53 C ATOM 256 C VAL A 42 20.137 -17.335 -9.224 1.00 64.24 C ATOM 257 O VAL A 42 20.520 -18.172 -10.040 1.00 20.53 O ATOM 258 CB VAL A 42 17.726 -17.727 -8.742 1.00 25.05 C ATOM 259 CG1 VAL A 42 17.623 -18.766 -9.849 1.00 72.33 C ATOM 260 CG2 VAL A 42 16.700 -17.991 -7.658 1.00 71.42 C ATOM 0 H VAL A 42 18.383 -16.199 -6.897 1.00 44.44 H new ATOM 0 HA VAL A 42 19.383 -18.698 -7.756 1.00 31.53 H new ATOM 0 HB VAL A 42 17.524 -16.751 -9.183 1.00 25.05 H new ATOM 0 HG11 VAL A 42 16.614 -18.760 -10.261 1.00 72.33 H new ATOM 0 HG12 VAL A 42 18.338 -18.530 -10.637 1.00 72.33 H new ATOM 0 HG13 VAL A 42 17.844 -19.753 -9.443 1.00 72.33 H new ATOM 0 HG21 VAL A 42 15.702 -18.003 -8.097 1.00 71.42 H new ATOM 0 HG22 VAL A 42 16.903 -18.955 -7.192 1.00 71.42 H new ATOM 0 HG23 VAL A 42 16.756 -17.205 -6.905 1.00 71.42 H new ATOM 270 N PHE A 43 20.551 -16.074 -9.233 1.00 0.20 N ATOM 271 CA PHE A 43 21.504 -15.589 -10.224 1.00 52.14 C ATOM 272 C PHE A 43 22.688 -16.548 -10.370 1.00 42.40 C ATOM 273 O PHE A 43 23.307 -16.622 -11.429 1.00 64.22 O ATOM 274 CB PHE A 43 21.986 -14.185 -9.838 1.00 72.45 C ATOM 275 CG PHE A 43 23.155 -14.171 -8.895 1.00 31.31 C ATOM 276 CD1 PHE A 43 23.157 -14.961 -7.757 1.00 50.51 C ATOM 277 CD2 PHE A 43 24.249 -13.364 -9.148 1.00 73.14 C ATOM 278 CE1 PHE A 43 24.231 -14.946 -6.887 1.00 13.32 C ATOM 279 CE2 PHE A 43 25.327 -13.343 -8.283 1.00 51.22 C ATOM 280 CZ PHE A 43 25.318 -14.135 -7.151 1.00 12.24 C ATOM 0 H PHE A 43 20.242 -15.368 -8.565 1.00 0.20 H new ATOM 0 HA PHE A 43 21.002 -15.538 -11.190 1.00 52.14 H new ATOM 0 HB2 PHE A 43 22.259 -13.645 -10.745 1.00 72.45 H new ATOM 0 HB3 PHE A 43 21.159 -13.642 -9.381 1.00 72.45 H new ATOM 0 HD1 PHE A 43 22.309 -15.596 -7.547 1.00 50.51 H new ATOM 0 HD2 PHE A 43 24.261 -12.743 -10.032 1.00 73.14 H new ATOM 0 HE1 PHE A 43 24.221 -15.567 -6.003 1.00 13.32 H new ATOM 0 HE2 PHE A 43 26.175 -12.708 -8.492 1.00 51.22 H new ATOM 0 HZ PHE A 43 26.159 -14.120 -6.474 1.00 12.24 H new ATOM 290 N LYS A 44 22.986 -17.289 -9.304 1.00 21.32 N ATOM 291 CA LYS A 44 24.083 -18.246 -9.319 1.00 40.20 C ATOM 292 C LYS A 44 23.658 -19.519 -10.041 1.00 62.21 C ATOM 293 O LYS A 44 24.454 -20.150 -10.736 1.00 12.23 O ATOM 294 CB LYS A 44 24.526 -18.573 -7.891 1.00 51.31 C ATOM 295 CG LYS A 44 25.918 -18.061 -7.555 1.00 11.33 C ATOM 296 CD LYS A 44 26.738 -19.110 -6.820 1.00 11.43 C ATOM 297 CE LYS A 44 28.229 -18.846 -6.952 1.00 71.44 C ATOM 298 NZ LYS A 44 28.989 -19.358 -5.780 1.00 15.40 N ATOM 0 H LYS A 44 22.480 -17.242 -8.419 1.00 21.32 H new ATOM 0 HA LYS A 44 24.925 -17.802 -9.851 1.00 40.20 H new ATOM 0 HB2 LYS A 44 23.811 -18.143 -7.190 1.00 51.31 H new ATOM 0 HB3 LYS A 44 24.501 -19.654 -7.750 1.00 51.31 H new ATOM 0 HG2 LYS A 44 26.432 -17.774 -8.472 1.00 11.33 H new ATOM 0 HG3 LYS A 44 25.838 -17.164 -6.940 1.00 11.33 H new ATOM 0 HD2 LYS A 44 26.461 -19.117 -5.766 1.00 11.43 H new ATOM 0 HD3 LYS A 44 26.506 -20.098 -7.217 1.00 11.43 H new ATOM 0 HE2 LYS A 44 28.602 -19.318 -7.861 1.00 71.44 H new ATOM 0 HE3 LYS A 44 28.400 -17.775 -7.056 1.00 71.44 H new ATOM 0 HZ1 LYS A 44 30.002 -19.158 -5.909 1.00 15.40 H new ATOM 0 HZ2 LYS A 44 28.651 -18.889 -4.915 1.00 15.40 H new ATOM 0 HZ3 LYS A 44 28.847 -20.385 -5.696 1.00 15.40 H new ATOM 312 N ALA A 45 22.389 -19.882 -9.876 1.00 5.54 N ATOM 313 CA ALA A 45 21.841 -21.069 -10.516 1.00 45.50 C ATOM 314 C ALA A 45 21.980 -20.965 -12.030 1.00 72.05 C ATOM 315 O ALA A 45 22.320 -21.937 -12.704 1.00 3.45 O ATOM 316 CB ALA A 45 20.383 -21.257 -10.119 1.00 35.44 C ATOM 0 H ALA A 45 21.721 -19.368 -9.302 1.00 5.54 H new ATOM 0 HA ALA A 45 22.403 -21.941 -10.180 1.00 45.50 H new ATOM 0 HB1 ALA A 45 19.986 -22.148 -10.605 1.00 35.44 H new ATOM 0 HB2 ALA A 45 20.312 -21.371 -9.037 1.00 35.44 H new ATOM 0 HB3 ALA A 45 19.806 -20.386 -10.430 1.00 35.44 H new ATOM 322 N SER A 46 21.727 -19.769 -12.556 1.00 62.14 N ATOM 323 CA SER A 46 21.839 -19.526 -13.988 1.00 51.31 C ATOM 324 C SER A 46 23.280 -19.190 -14.354 1.00 42.52 C ATOM 325 O SER A 46 23.755 -19.532 -15.437 1.00 5.02 O ATOM 326 CB SER A 46 20.912 -18.383 -14.409 1.00 5.32 C ATOM 327 OG SER A 46 20.617 -18.450 -15.793 1.00 43.04 O ATOM 0 H SER A 46 21.443 -18.955 -12.011 1.00 62.14 H new ATOM 0 HA SER A 46 21.542 -20.431 -14.517 1.00 51.31 H new ATOM 0 HB2 SER A 46 19.987 -18.430 -13.834 1.00 5.32 H new ATOM 0 HB3 SER A 46 21.382 -17.426 -14.180 1.00 5.32 H new ATOM 0 HG SER A 46 20.022 -17.710 -16.037 1.00 43.04 H new ATOM 333 N GLU A 47 23.973 -18.525 -13.432 1.00 33.21 N ATOM 334 CA GLU A 47 25.366 -18.147 -13.642 1.00 34.33 C ATOM 335 C GLU A 47 26.213 -19.379 -13.935 1.00 22.10 C ATOM 336 O GLU A 47 27.107 -19.347 -14.782 1.00 20.31 O ATOM 337 CB GLU A 47 25.909 -17.426 -12.405 1.00 15.10 C ATOM 338 CG GLU A 47 26.097 -15.928 -12.592 1.00 53.24 C ATOM 339 CD GLU A 47 24.897 -15.253 -13.229 1.00 70.55 C ATOM 340 OE1 GLU A 47 24.710 -15.404 -14.455 1.00 5.53 O ATOM 341 OE2 GLU A 47 24.145 -14.568 -12.503 1.00 22.13 O ATOM 0 H GLU A 47 23.591 -18.237 -12.531 1.00 33.21 H new ATOM 0 HA GLU A 47 25.416 -17.474 -14.498 1.00 34.33 H new ATOM 0 HB2 GLU A 47 25.228 -17.595 -11.571 1.00 15.10 H new ATOM 0 HB3 GLU A 47 26.866 -17.870 -12.130 1.00 15.10 H new ATOM 0 HG2 GLU A 47 26.293 -15.469 -11.623 1.00 53.24 H new ATOM 0 HG3 GLU A 47 26.976 -15.753 -13.212 1.00 53.24 H new ATOM 348 N LYS A 48 25.926 -20.463 -13.223 1.00 33.31 N ATOM 349 CA LYS A 48 26.659 -21.711 -13.399 1.00 33.10 C ATOM 350 C LYS A 48 26.394 -22.311 -14.776 1.00 32.55 C ATOM 351 O LYS A 48 27.245 -23.004 -15.334 1.00 61.44 O ATOM 352 CB LYS A 48 26.271 -22.712 -12.310 1.00 31.02 C ATOM 353 CG LYS A 48 24.791 -23.058 -12.298 1.00 64.24 C ATOM 354 CD LYS A 48 24.551 -24.460 -11.762 1.00 41.11 C ATOM 355 CE LYS A 48 23.194 -24.572 -11.084 1.00 25.22 C ATOM 356 NZ LYS A 48 23.295 -24.393 -9.609 1.00 65.30 N ATOM 0 H LYS A 48 25.190 -20.503 -12.518 1.00 33.31 H new ATOM 0 HA LYS A 48 27.724 -21.491 -13.319 1.00 33.10 H new ATOM 0 HB2 LYS A 48 26.848 -23.627 -12.447 1.00 31.02 H new ATOM 0 HB3 LYS A 48 26.548 -22.304 -11.338 1.00 31.02 H new ATOM 0 HG2 LYS A 48 24.252 -22.336 -11.685 1.00 64.24 H new ATOM 0 HG3 LYS A 48 24.390 -22.980 -13.308 1.00 64.24 H new ATOM 0 HD2 LYS A 48 24.611 -25.179 -12.579 1.00 41.11 H new ATOM 0 HD3 LYS A 48 25.336 -24.719 -11.052 1.00 41.11 H new ATOM 0 HE2 LYS A 48 22.519 -23.821 -11.496 1.00 25.22 H new ATOM 0 HE3 LYS A 48 22.758 -25.547 -11.303 1.00 25.22 H new ATOM 0 HZ1 LYS A 48 22.346 -24.443 -9.187 1.00 65.30 H new ATOM 0 HZ2 LYS A 48 23.891 -25.145 -9.208 1.00 65.30 H new ATOM 0 HZ3 LYS A 48 23.719 -23.466 -9.400 1.00 65.30 H new ATOM 370 N ALA A 49 25.211 -22.042 -15.321 1.00 1.51 N ATOM 371 CA ALA A 49 24.847 -22.560 -16.634 1.00 0.14 C ATOM 372 C ALA A 49 24.887 -21.478 -17.699 1.00 43.32 C ATOM 373 O ALA A 49 24.425 -21.698 -18.813 1.00 54.41 O ATOM 374 CB ALA A 49 23.471 -23.194 -16.602 1.00 43.24 C ATOM 0 H ALA A 49 24.492 -21.471 -14.876 1.00 1.51 H new ATOM 0 HA ALA A 49 25.586 -23.319 -16.892 1.00 0.14 H new ATOM 0 HB1 ALA A 49 23.222 -23.573 -17.593 1.00 43.24 H new ATOM 0 HB2 ALA A 49 23.466 -24.017 -15.887 1.00 43.24 H new ATOM 0 HB3 ALA A 49 22.734 -22.449 -16.303 1.00 43.24 H new ATOM 380 N LEU A 50 25.452 -20.313 -17.380 1.00 11.20 N ATOM 381 CA LEU A 50 25.540 -19.247 -18.369 1.00 22.52 C ATOM 382 C LEU A 50 26.256 -19.750 -19.613 1.00 21.01 C ATOM 383 O LEU A 50 25.811 -19.531 -20.731 1.00 71.24 O ATOM 384 CB LEU A 50 26.232 -18.002 -17.808 1.00 11.14 C ATOM 385 CG LEU A 50 26.431 -16.855 -18.799 1.00 64.41 C ATOM 386 CD1 LEU A 50 26.153 -15.517 -18.132 1.00 13.40 C ATOM 387 CD2 LEU A 50 27.842 -16.883 -19.370 1.00 40.00 C ATOM 0 H LEU A 50 25.846 -20.089 -16.466 1.00 11.20 H new ATOM 0 HA LEU A 50 24.525 -18.954 -18.637 1.00 22.52 H new ATOM 0 HB2 LEU A 50 25.649 -17.633 -16.965 1.00 11.14 H new ATOM 0 HB3 LEU A 50 27.207 -18.295 -17.418 1.00 11.14 H new ATOM 0 HG LEU A 50 25.724 -16.983 -19.619 1.00 64.41 H new ATOM 0 HD11 LEU A 50 26.300 -14.713 -18.853 1.00 13.40 H new ATOM 0 HD12 LEU A 50 25.125 -15.497 -17.771 1.00 13.40 H new ATOM 0 HD13 LEU A 50 26.835 -15.380 -17.293 1.00 13.40 H new ATOM 0 HD21 LEU A 50 27.966 -16.060 -20.074 1.00 40.00 H new ATOM 0 HD22 LEU A 50 28.564 -16.780 -18.560 1.00 40.00 H new ATOM 0 HD23 LEU A 50 28.007 -17.829 -19.886 1.00 40.00 H new ATOM 399 N PRO A 51 27.341 -20.494 -19.416 1.00 33.42 N ATOM 400 CA PRO A 51 28.093 -21.097 -20.509 1.00 52.12 C ATOM 401 C PRO A 51 27.252 -22.172 -21.191 1.00 72.41 C ATOM 402 O PRO A 51 27.489 -22.535 -22.343 1.00 70.42 O ATOM 403 CB PRO A 51 29.318 -21.730 -19.829 1.00 43.51 C ATOM 404 CG PRO A 51 29.255 -21.341 -18.385 1.00 63.04 C ATOM 405 CD PRO A 51 27.859 -20.856 -18.107 1.00 62.13 C ATOM 0 HA PRO A 51 28.371 -20.374 -21.276 1.00 52.12 H new ATOM 0 HB2 PRO A 51 29.305 -22.814 -19.939 1.00 43.51 H new ATOM 0 HB3 PRO A 51 30.242 -21.374 -20.286 1.00 43.51 H new ATOM 0 HG2 PRO A 51 29.499 -22.191 -17.748 1.00 63.04 H new ATOM 0 HG3 PRO A 51 29.983 -20.560 -18.167 1.00 63.04 H new ATOM 0 HD2 PRO A 51 27.253 -21.632 -17.640 1.00 62.13 H new ATOM 0 HD3 PRO A 51 27.861 -20.002 -17.429 1.00 62.13 H new ATOM 413 N VAL A 52 26.266 -22.671 -20.448 1.00 64.25 N ATOM 414 CA VAL A 52 25.361 -23.702 -20.932 1.00 62.41 C ATOM 415 C VAL A 52 24.054 -23.103 -21.436 1.00 41.43 C ATOM 416 O VAL A 52 23.290 -23.770 -22.126 1.00 60.25 O ATOM 417 CB VAL A 52 25.071 -24.732 -19.821 1.00 4.41 C ATOM 418 CG1 VAL A 52 23.977 -25.701 -20.233 1.00 21.12 C ATOM 419 CG2 VAL A 52 26.341 -25.481 -19.446 1.00 74.43 C ATOM 0 H VAL A 52 26.075 -22.369 -19.493 1.00 64.25 H new ATOM 0 HA VAL A 52 25.851 -24.204 -21.767 1.00 62.41 H new ATOM 0 HB VAL A 52 24.716 -24.188 -18.946 1.00 4.41 H new ATOM 0 HG11 VAL A 52 23.799 -26.412 -19.427 1.00 21.12 H new ATOM 0 HG12 VAL A 52 23.060 -25.149 -20.439 1.00 21.12 H new ATOM 0 HG13 VAL A 52 24.286 -26.239 -21.130 1.00 21.12 H new ATOM 0 HG21 VAL A 52 26.119 -26.204 -18.661 1.00 74.43 H new ATOM 0 HG22 VAL A 52 26.727 -26.003 -20.321 1.00 74.43 H new ATOM 0 HG23 VAL A 52 27.088 -24.773 -19.087 1.00 74.43 H new ATOM 429 N VAL A 53 23.819 -21.840 -21.104 1.00 24.23 N ATOM 430 CA VAL A 53 22.626 -21.137 -21.546 1.00 3.41 C ATOM 431 C VAL A 53 22.996 -20.217 -22.703 1.00 43.31 C ATOM 432 O VAL A 53 22.179 -19.921 -23.574 1.00 51.40 O ATOM 433 CB VAL A 53 21.982 -20.322 -20.397 1.00 60.53 C ATOM 434 CG1 VAL A 53 22.659 -18.970 -20.223 1.00 10.54 C ATOM 435 CG2 VAL A 53 20.491 -20.148 -20.643 1.00 33.10 C ATOM 0 H VAL A 53 24.445 -21.280 -20.526 1.00 24.23 H new ATOM 0 HA VAL A 53 21.890 -21.872 -21.872 1.00 3.41 H new ATOM 0 HB VAL A 53 22.122 -20.881 -19.472 1.00 60.53 H new ATOM 0 HG11 VAL A 53 22.181 -18.426 -19.408 1.00 10.54 H new ATOM 0 HG12 VAL A 53 23.714 -19.118 -19.991 1.00 10.54 H new ATOM 0 HG13 VAL A 53 22.568 -18.396 -21.145 1.00 10.54 H new ATOM 0 HG21 VAL A 53 20.052 -19.573 -19.827 1.00 33.10 H new ATOM 0 HG22 VAL A 53 20.337 -19.619 -21.583 1.00 33.10 H new ATOM 0 HG23 VAL A 53 20.014 -21.127 -20.695 1.00 33.10 H new ATOM 445 N VAL A 54 24.257 -19.790 -22.701 1.00 3.23 N ATOM 446 CA VAL A 54 24.784 -18.928 -23.742 1.00 75.33 C ATOM 447 C VAL A 54 25.196 -19.740 -24.948 1.00 41.44 C ATOM 448 O VAL A 54 24.947 -19.351 -26.080 1.00 20.45 O ATOM 449 CB VAL A 54 26.001 -18.120 -23.248 1.00 2.54 C ATOM 450 CG1 VAL A 54 25.670 -17.343 -21.978 1.00 41.13 C ATOM 451 CG2 VAL A 54 27.203 -19.030 -23.017 1.00 62.13 C ATOM 0 H VAL A 54 24.935 -20.034 -21.979 1.00 3.23 H new ATOM 0 HA VAL A 54 23.988 -18.236 -24.015 1.00 75.33 H new ATOM 0 HB VAL A 54 26.257 -17.402 -24.027 1.00 2.54 H new ATOM 0 HG11 VAL A 54 26.548 -16.784 -21.655 1.00 41.13 H new ATOM 0 HG12 VAL A 54 24.852 -16.651 -22.178 1.00 41.13 H new ATOM 0 HG13 VAL A 54 25.373 -18.038 -21.193 1.00 41.13 H new ATOM 0 HG21 VAL A 54 28.048 -18.436 -22.669 1.00 62.13 H new ATOM 0 HG22 VAL A 54 26.953 -19.780 -22.266 1.00 62.13 H new ATOM 0 HG23 VAL A 54 27.468 -19.526 -23.951 1.00 62.13 H new ATOM 461 N GLY A 55 25.834 -20.871 -24.695 1.00 45.52 N ATOM 462 CA GLY A 55 26.274 -21.725 -25.779 1.00 4.35 C ATOM 463 C GLY A 55 25.191 -21.948 -26.808 1.00 55.21 C ATOM 464 O GLY A 55 25.478 -22.156 -27.981 1.00 44.43 O ATOM 0 H GLY A 55 26.055 -21.214 -23.760 1.00 45.52 H new ATOM 0 HA2 GLY A 55 27.144 -21.278 -26.261 1.00 4.35 H new ATOM 0 HA3 GLY A 55 26.592 -22.686 -25.375 1.00 4.35 H new ATOM 468 N ILE A 56 23.940 -21.885 -26.370 1.00 43.42 N ATOM 469 CA ILE A 56 22.811 -22.067 -27.287 1.00 62.34 C ATOM 470 C ILE A 56 22.448 -20.741 -27.932 1.00 55.31 C ATOM 471 O ILE A 56 21.967 -20.695 -29.063 1.00 45.32 O ATOM 472 CB ILE A 56 21.562 -22.638 -26.586 1.00 43.34 C ATOM 473 CG1 ILE A 56 21.958 -23.497 -25.390 1.00 2.24 C ATOM 474 CG2 ILE A 56 20.725 -23.444 -27.568 1.00 35.44 C ATOM 475 CD1 ILE A 56 21.939 -22.729 -24.093 1.00 42.21 C ATOM 0 H ILE A 56 23.678 -21.712 -25.399 1.00 43.42 H new ATOM 0 HA ILE A 56 23.131 -22.787 -28.040 1.00 62.34 H new ATOM 0 HB ILE A 56 20.962 -21.804 -26.222 1.00 43.34 H new ATOM 0 HG12 ILE A 56 21.278 -24.345 -25.316 1.00 2.24 H new ATOM 0 HG13 ILE A 56 22.957 -23.902 -25.553 1.00 2.24 H new ATOM 0 HG21 ILE A 56 19.847 -23.840 -27.058 1.00 35.44 H new ATOM 0 HG22 ILE A 56 20.408 -22.801 -28.389 1.00 35.44 H new ATOM 0 HG23 ILE A 56 21.319 -24.269 -27.961 1.00 35.44 H new ATOM 0 HD11 ILE A 56 22.229 -23.389 -23.275 1.00 42.21 H new ATOM 0 HD12 ILE A 56 22.640 -21.896 -24.153 1.00 42.21 H new ATOM 0 HD13 ILE A 56 20.935 -22.346 -23.912 1.00 42.21 H new ATOM 487 N LYS A 57 22.700 -19.662 -27.209 1.00 54.22 N ATOM 488 CA LYS A 57 22.434 -18.330 -27.716 1.00 23.40 C ATOM 489 C LYS A 57 23.636 -17.840 -28.517 1.00 2.12 C ATOM 490 O LYS A 57 23.515 -16.973 -29.377 1.00 44.41 O ATOM 491 CB LYS A 57 22.133 -17.367 -26.564 1.00 44.31 C ATOM 492 CG LYS A 57 20.688 -16.898 -26.526 1.00 64.02 C ATOM 493 CD LYS A 57 20.567 -15.516 -25.904 1.00 71.51 C ATOM 494 CE LYS A 57 20.749 -15.565 -24.396 1.00 22.15 C ATOM 495 NZ LYS A 57 19.926 -14.536 -23.703 1.00 20.51 N ATOM 0 H LYS A 57 23.090 -19.685 -26.267 1.00 54.22 H new ATOM 0 HA LYS A 57 21.560 -18.365 -28.366 1.00 23.40 H new ATOM 0 HB2 LYS A 57 22.372 -17.857 -25.620 1.00 44.31 H new ATOM 0 HB3 LYS A 57 22.786 -16.498 -26.647 1.00 44.31 H new ATOM 0 HG2 LYS A 57 20.284 -16.879 -27.538 1.00 64.02 H new ATOM 0 HG3 LYS A 57 20.089 -17.608 -25.956 1.00 64.02 H new ATOM 0 HD2 LYS A 57 21.314 -14.853 -26.340 1.00 71.51 H new ATOM 0 HD3 LYS A 57 19.590 -15.094 -26.140 1.00 71.51 H new ATOM 0 HE2 LYS A 57 20.476 -16.555 -24.030 1.00 22.15 H new ATOM 0 HE3 LYS A 57 21.800 -15.413 -24.152 1.00 22.15 H new ATOM 0 HZ1 LYS A 57 20.079 -14.603 -22.676 1.00 20.51 H new ATOM 0 HZ2 LYS A 57 20.203 -13.590 -24.033 1.00 20.51 H new ATOM 0 HZ3 LYS A 57 18.920 -14.696 -23.914 1.00 20.51 H new ATOM 509 N ALA A 58 24.804 -18.401 -28.215 1.00 61.40 N ATOM 510 CA ALA A 58 26.037 -18.022 -28.894 1.00 30.14 C ATOM 511 C ALA A 58 26.272 -18.838 -30.166 1.00 55.54 C ATOM 512 O ALA A 58 27.034 -18.426 -31.040 1.00 71.14 O ATOM 513 CB ALA A 58 27.218 -18.165 -27.945 1.00 63.33 C ATOM 0 H ALA A 58 24.921 -19.121 -27.502 1.00 61.40 H new ATOM 0 HA ALA A 58 25.938 -16.980 -29.197 1.00 30.14 H new ATOM 0 HB1 ALA A 58 28.135 -17.880 -28.460 1.00 63.33 H new ATOM 0 HB2 ALA A 58 27.071 -17.517 -27.081 1.00 63.33 H new ATOM 0 HB3 ALA A 58 27.295 -19.200 -27.613 1.00 63.33 H new ATOM 519 N ILE A 59 25.638 -20.004 -30.257 1.00 5.43 N ATOM 520 CA ILE A 59 25.810 -20.876 -31.414 1.00 42.44 C ATOM 521 C ILE A 59 25.342 -20.222 -32.697 1.00 24.13 C ATOM 522 O ILE A 59 26.124 -20.007 -33.625 1.00 43.43 O ATOM 523 CB ILE A 59 25.074 -22.221 -31.233 1.00 24.23 C ATOM 524 CG1 ILE A 59 23.674 -22.018 -30.652 1.00 72.21 C ATOM 525 CG2 ILE A 59 25.889 -23.136 -30.348 1.00 61.22 C ATOM 526 CD1 ILE A 59 22.564 -22.332 -31.630 1.00 54.51 C ATOM 0 H ILE A 59 25.003 -20.366 -29.546 1.00 5.43 H new ATOM 0 HA ILE A 59 26.881 -21.064 -31.489 1.00 42.44 H new ATOM 0 HB ILE A 59 24.958 -22.682 -32.214 1.00 24.23 H new ATOM 0 HG12 ILE A 59 23.560 -22.649 -29.770 1.00 72.21 H new ATOM 0 HG13 ILE A 59 23.573 -20.985 -30.320 1.00 72.21 H new ATOM 0 HG21 ILE A 59 25.365 -24.084 -30.224 1.00 61.22 H new ATOM 0 HG22 ILE A 59 26.861 -23.316 -30.808 1.00 61.22 H new ATOM 0 HG23 ILE A 59 26.030 -22.669 -29.373 1.00 61.22 H new ATOM 0 HD11 ILE A 59 21.599 -22.166 -31.151 1.00 54.51 H new ATOM 0 HD12 ILE A 59 22.653 -21.683 -32.501 1.00 54.51 H new ATOM 0 HD13 ILE A 59 22.639 -23.373 -31.944 1.00 54.51 H new ATOM 538 N GLY A 60 24.072 -19.902 -32.735 1.00 51.21 N ATOM 539 CA GLY A 60 23.498 -19.261 -33.893 1.00 24.34 C ATOM 540 C GLY A 60 22.609 -18.117 -33.488 1.00 52.32 C ATOM 541 O GLY A 60 21.904 -17.539 -34.315 1.00 45.03 O ATOM 0 H GLY A 60 23.414 -20.075 -31.975 1.00 51.21 H new ATOM 0 HA2 GLY A 60 24.293 -18.896 -34.543 1.00 24.34 H new ATOM 0 HA3 GLY A 60 22.924 -19.987 -34.468 1.00 24.34 H new ATOM 545 N LYS A 61 22.641 -17.792 -32.199 1.00 32.45 N ATOM 546 CA LYS A 61 21.818 -16.703 -31.681 1.00 24.33 C ATOM 547 C LYS A 61 22.666 -15.476 -31.358 1.00 35.11 C ATOM 548 O LYS A 61 23.780 -15.366 -31.911 1.00 55.51 O ATOM 549 CB LYS A 61 21.049 -17.162 -30.440 1.00 24.23 C ATOM 550 CG LYS A 61 19.539 -17.074 -30.593 1.00 72.02 C ATOM 551 CD LYS A 61 18.830 -18.068 -29.686 1.00 31.40 C ATOM 552 CE LYS A 61 17.611 -18.671 -30.367 1.00 53.33 C ATOM 553 NZ LYS A 61 17.335 -20.055 -29.891 1.00 22.32 N ATOM 554 OXT LYS A 61 22.209 -14.636 -30.555 1.00 39.00 O ATOM 0 H LYS A 61 23.220 -18.260 -31.501 1.00 32.45 H new ATOM 0 HA LYS A 61 21.103 -16.423 -32.455 1.00 24.33 H new ATOM 0 HB2 LYS A 61 21.323 -18.192 -30.213 1.00 24.23 H new ATOM 0 HB3 LYS A 61 21.356 -16.555 -29.588 1.00 24.23 H new ATOM 0 HG2 LYS A 61 19.206 -16.063 -30.358 1.00 72.02 H new ATOM 0 HG3 LYS A 61 19.265 -17.266 -31.630 1.00 72.02 H new ATOM 0 HD2 LYS A 61 19.521 -18.862 -29.404 1.00 31.40 H new ATOM 0 HD3 LYS A 61 18.525 -17.570 -28.766 1.00 31.40 H new ATOM 0 HE2 LYS A 61 16.741 -18.042 -30.177 1.00 53.33 H new ATOM 0 HE3 LYS A 61 17.767 -18.683 -31.446 1.00 53.33 H new ATOM 0 HZ1 LYS A 61 16.497 -20.429 -30.380 1.00 22.32 H new ATOM 0 HZ2 LYS A 61 18.154 -20.662 -30.095 1.00 22.32 H new ATOM 0 HZ3 LYS A 61 17.161 -20.041 -28.866 1.00 22.32 H new TER 568 LYS A 61