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+ -145:sc= 0.135 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.347 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 2.065 -0.013 0.113 1.00 13.00 N ATOM 2 CA GLY A 26 2.524 -0.022 -1.303 1.00 45.03 C ATOM 3 C GLY A 26 3.028 -1.383 -1.740 1.00 32.13 C ATOM 4 O GLY A 26 4.136 -1.786 -1.384 1.00 44.45 O ATOM 0 HA2 GLY A 26 1.702 0.283 -1.950 1.00 45.03 H new ATOM 0 HA3 GLY A 26 3.318 0.714 -1.429 1.00 45.03 H new ATOM 10 N GLY A 27 2.215 -2.093 -2.515 1.00 41.44 N ATOM 11 CA GLY A 27 2.602 -3.409 -2.988 1.00 74.30 C ATOM 12 C GLY A 27 3.708 -3.354 -4.023 1.00 44.54 C ATOM 13 O GLY A 27 4.420 -4.337 -4.229 1.00 33.34 O ATOM 0 H GLY A 27 1.295 -1.780 -2.824 1.00 41.44 H new ATOM 0 HA2 GLY A 27 2.931 -4.013 -2.142 1.00 74.30 H new ATOM 0 HA3 GLY A 27 1.733 -3.907 -3.417 1.00 74.30 H new ATOM 17 N LEU A 28 3.856 -2.204 -4.679 1.00 13.33 N ATOM 18 CA LEU A 28 4.888 -2.027 -5.698 1.00 63.00 C ATOM 19 C LEU A 28 6.234 -2.532 -5.196 1.00 74.33 C ATOM 20 O LEU A 28 6.811 -3.463 -5.756 1.00 42.31 O ATOM 21 CB LEU A 28 5.005 -0.552 -6.085 1.00 73.14 C ATOM 22 CG LEU A 28 6.121 -0.219 -7.081 1.00 23.32 C ATOM 23 CD1 LEU A 28 7.436 0.004 -6.351 1.00 20.25 C ATOM 24 CD2 LEU A 28 6.267 -1.326 -8.117 1.00 10.55 C ATOM 0 H LEU A 28 3.274 -1.381 -4.523 1.00 13.33 H new ATOM 0 HA LEU A 28 4.600 -2.607 -6.575 1.00 63.00 H new ATOM 0 HB2 LEU A 28 4.054 -0.229 -6.509 1.00 73.14 H new ATOM 0 HB3 LEU A 28 5.164 0.032 -5.179 1.00 73.14 H new ATOM 0 HG LEU A 28 5.853 0.701 -7.600 1.00 23.32 H new ATOM 0 HD11 LEU A 28 8.218 0.239 -7.073 1.00 20.25 H new ATOM 0 HD12 LEU A 28 7.328 0.832 -5.651 1.00 20.25 H new ATOM 0 HD13 LEU A 28 7.707 -0.900 -5.805 1.00 20.25 H new ATOM 0 HD21 LEU A 28 7.065 -1.069 -8.814 1.00 10.55 H new ATOM 0 HD22 LEU A 28 6.510 -2.263 -7.616 1.00 10.55 H new ATOM 0 HD23 LEU A 28 5.330 -1.439 -8.663 1.00 10.55 H new ATOM 36 N LYS A 29 6.718 -1.917 -4.125 1.00 22.24 N ATOM 37 CA LYS A 29 7.988 -2.308 -3.530 1.00 73.13 C ATOM 38 C LYS A 29 7.932 -3.761 -3.070 1.00 41.55 C ATOM 39 O LYS A 29 8.960 -4.427 -2.949 1.00 44.14 O ATOM 40 CB LYS A 29 8.326 -1.396 -2.349 1.00 15.12 C ATOM 41 CG LYS A 29 9.802 -1.046 -2.253 1.00 11.23 C ATOM 42 CD LYS A 29 10.064 0.393 -2.671 1.00 50.35 C ATOM 43 CE LYS A 29 9.906 1.350 -1.502 1.00 53.42 C ATOM 44 NZ LYS A 29 9.215 2.608 -1.902 1.00 44.54 N ATOM 0 H LYS A 29 6.250 -1.145 -3.651 1.00 22.24 H new ATOM 0 HA LYS A 29 8.769 -2.208 -4.284 1.00 73.13 H new ATOM 0 HB2 LYS A 29 7.748 -0.476 -2.434 1.00 15.12 H new ATOM 0 HB3 LYS A 29 8.016 -1.883 -1.424 1.00 15.12 H new ATOM 0 HG2 LYS A 29 10.147 -1.197 -1.230 1.00 11.23 H new ATOM 0 HG3 LYS A 29 10.378 -1.720 -2.886 1.00 11.23 H new ATOM 0 HD2 LYS A 29 11.072 0.477 -3.078 1.00 50.35 H new ATOM 0 HD3 LYS A 29 9.374 0.673 -3.467 1.00 50.35 H new ATOM 0 HE2 LYS A 29 9.341 0.862 -0.708 1.00 53.42 H new ATOM 0 HE3 LYS A 29 10.888 1.589 -1.094 1.00 53.42 H new ATOM 0 HZ1 LYS A 29 9.127 3.234 -1.076 1.00 44.54 H new ATOM 0 HZ2 LYS A 29 9.767 3.087 -2.642 1.00 44.54 H new ATOM 0 HZ3 LYS A 29 8.268 2.383 -2.268 1.00 44.54 H new ATOM 58 N LYS A 30 6.719 -4.245 -2.817 1.00 3.35 N ATOM 59 CA LYS A 30 6.515 -5.618 -2.373 1.00 53.02 C ATOM 60 C LYS A 30 6.855 -6.602 -3.487 1.00 63.44 C ATOM 61 O LYS A 30 7.492 -7.628 -3.251 1.00 20.33 O ATOM 62 CB LYS A 30 5.066 -5.819 -1.924 1.00 2.21 C ATOM 63 CG LYS A 30 4.909 -6.847 -0.815 1.00 15.23 C ATOM 64 CD LYS A 30 4.157 -8.079 -1.297 1.00 75.34 C ATOM 65 CE LYS A 30 3.497 -8.814 -0.142 1.00 23.54 C ATOM 66 NZ LYS A 30 4.491 -9.550 0.688 1.00 43.02 N ATOM 0 H LYS A 30 5.860 -3.703 -2.913 1.00 3.35 H new ATOM 0 HA LYS A 30 7.179 -5.806 -1.529 1.00 53.02 H new ATOM 0 HB2 LYS A 30 4.665 -4.865 -1.583 1.00 2.21 H new ATOM 0 HB3 LYS A 30 4.468 -6.128 -2.782 1.00 2.21 H new ATOM 0 HG2 LYS A 30 5.893 -7.141 -0.448 1.00 15.23 H new ATOM 0 HG3 LYS A 30 4.376 -6.400 0.024 1.00 15.23 H new ATOM 0 HD2 LYS A 30 3.399 -7.784 -2.023 1.00 75.34 H new ATOM 0 HD3 LYS A 30 4.846 -8.750 -1.811 1.00 75.34 H new ATOM 0 HE2 LYS A 30 2.960 -8.101 0.483 1.00 23.54 H new ATOM 0 HE3 LYS A 30 2.759 -9.515 -0.532 1.00 23.54 H new ATOM 0 HZ1 LYS A 30 4.001 -10.038 1.465 1.00 43.02 H new ATOM 0 HZ2 LYS A 30 4.986 -10.249 0.098 1.00 43.02 H new ATOM 0 HZ3 LYS A 30 5.180 -8.878 1.081 1.00 43.02 H new ATOM 80 N LEU A 31 6.422 -6.281 -4.702 1.00 0.12 N ATOM 81 CA LEU A 31 6.678 -7.135 -5.856 1.00 54.11 C ATOM 82 C LEU A 31 8.075 -6.888 -6.417 1.00 64.23 C ATOM 83 O LEU A 31 8.733 -7.809 -6.904 1.00 24.35 O ATOM 84 CB LEU A 31 5.628 -6.887 -6.941 1.00 62.33 C ATOM 85 CG LEU A 31 5.857 -7.641 -8.253 1.00 3.24 C ATOM 86 CD1 LEU A 31 5.848 -9.143 -8.015 1.00 32.20 C ATOM 87 CD2 LEU A 31 4.800 -7.256 -9.277 1.00 72.32 C ATOM 0 H LEU A 31 5.892 -5.435 -4.913 1.00 0.12 H new ATOM 0 HA LEU A 31 6.616 -8.173 -5.530 1.00 54.11 H new ATOM 0 HB2 LEU A 31 4.650 -7.163 -6.548 1.00 62.33 H new ATOM 0 HB3 LEU A 31 5.595 -5.819 -7.155 1.00 62.33 H new ATOM 0 HG LEU A 31 6.835 -7.363 -8.645 1.00 3.24 H new ATOM 0 HD11 LEU A 31 6.012 -9.662 -8.959 1.00 32.20 H new ATOM 0 HD12 LEU A 31 6.641 -9.405 -7.314 1.00 32.20 H new ATOM 0 HD13 LEU A 31 4.885 -9.440 -7.601 1.00 32.20 H new ATOM 0 HD21 LEU A 31 4.977 -7.801 -10.205 1.00 72.32 H new ATOM 0 HD22 LEU A 31 3.812 -7.507 -8.892 1.00 72.32 H new ATOM 0 HD23 LEU A 31 4.853 -6.184 -9.470 1.00 72.32 H new ATOM 99 N GLY A 32 8.521 -5.639 -6.348 1.00 33.14 N ATOM 100 CA GLY A 32 9.835 -5.289 -6.855 1.00 21.25 C ATOM 101 C GLY A 32 10.962 -5.920 -6.059 1.00 13.44 C ATOM 102 O GLY A 32 12.077 -6.058 -6.559 1.00 25.04 O ATOM 0 H GLY A 32 7.995 -4.861 -5.949 1.00 33.14 H new ATOM 0 HA2 GLY A 32 9.913 -5.602 -7.896 1.00 21.25 H new ATOM 0 HA3 GLY A 32 9.948 -4.205 -6.839 1.00 21.25 H new ATOM 106 N LYS A 33 10.675 -6.296 -4.816 1.00 61.11 N ATOM 107 CA LYS A 33 11.681 -6.908 -3.954 1.00 12.00 C ATOM 108 C LYS A 33 11.448 -8.411 -3.805 1.00 11.12 C ATOM 109 O LYS A 33 12.377 -9.165 -3.517 1.00 11.24 O ATOM 110 CB LYS A 33 11.675 -6.238 -2.576 1.00 34.51 C ATOM 111 CG LYS A 33 12.954 -5.477 -2.264 1.00 72.35 C ATOM 112 CD LYS A 33 13.077 -4.223 -3.114 1.00 20.14 C ATOM 113 CE LYS A 33 14.195 -3.321 -2.618 1.00 51.41 C ATOM 114 NZ LYS A 33 14.154 -1.979 -3.260 1.00 62.32 N ATOM 0 H LYS A 33 9.757 -6.188 -4.384 1.00 61.11 H new ATOM 0 HA LYS A 33 12.655 -6.762 -4.422 1.00 12.00 H new ATOM 0 HB2 LYS A 33 10.830 -5.551 -2.519 1.00 34.51 H new ATOM 0 HB3 LYS A 33 11.519 -6.999 -1.812 1.00 34.51 H new ATOM 0 HG2 LYS A 33 12.969 -5.205 -1.208 1.00 72.35 H new ATOM 0 HG3 LYS A 33 13.815 -6.122 -2.439 1.00 72.35 H new ATOM 0 HD2 LYS A 33 13.266 -4.502 -4.151 1.00 20.14 H new ATOM 0 HD3 LYS A 33 12.134 -3.677 -3.098 1.00 20.14 H new ATOM 0 HE2 LYS A 33 14.117 -3.208 -1.537 1.00 51.41 H new ATOM 0 HE3 LYS A 33 15.157 -3.791 -2.821 1.00 51.41 H new ATOM 0 HZ1 LYS A 33 14.933 -1.395 -2.894 1.00 62.32 H new ATOM 0 HZ2 LYS A 33 14.254 -2.084 -4.290 1.00 62.32 H new ATOM 0 HZ3 LYS A 33 13.246 -1.519 -3.045 1.00 62.32 H new ATOM 128 N LYS A 34 10.205 -8.840 -4.001 1.00 60.25 N ATOM 129 CA LYS A 34 9.860 -10.253 -3.885 1.00 75.34 C ATOM 130 C LYS A 34 10.527 -11.068 -4.986 1.00 2.02 C ATOM 131 O LYS A 34 11.316 -11.973 -4.713 1.00 23.40 O ATOM 132 CB LYS A 34 8.343 -10.435 -3.951 1.00 34.34 C ATOM 133 CG LYS A 34 7.894 -11.872 -3.737 1.00 2.41 C ATOM 134 CD LYS A 34 8.174 -12.336 -2.318 1.00 74.04 C ATOM 135 CE LYS A 34 7.237 -11.674 -1.320 1.00 54.44 C ATOM 136 NZ LYS A 34 7.943 -11.289 -0.067 1.00 75.12 N ATOM 0 H LYS A 34 9.422 -8.232 -4.240 1.00 60.25 H new ATOM 0 HA LYS A 34 10.222 -10.611 -2.921 1.00 75.34 H new ATOM 0 HB2 LYS A 34 7.876 -9.801 -3.197 1.00 34.34 H new ATOM 0 HB3 LYS A 34 7.986 -10.092 -4.922 1.00 34.34 H new ATOM 0 HG2 LYS A 34 6.827 -11.956 -3.945 1.00 2.41 H new ATOM 0 HG3 LYS A 34 8.409 -12.524 -4.443 1.00 2.41 H new ATOM 0 HD2 LYS A 34 8.063 -13.419 -2.260 1.00 74.04 H new ATOM 0 HD3 LYS A 34 9.207 -12.107 -2.056 1.00 74.04 H new ATOM 0 HE2 LYS A 34 6.792 -10.788 -1.773 1.00 54.44 H new ATOM 0 HE3 LYS A 34 6.420 -12.355 -1.082 1.00 54.44 H new ATOM 0 HZ1 LYS A 34 7.270 -10.841 0.587 1.00 75.12 H new ATOM 0 HZ2 LYS A 34 8.347 -12.138 0.379 1.00 75.12 H new ATOM 0 HZ3 LYS A 34 8.706 -10.619 -0.290 1.00 75.12 H new ATOM 150 N LEU A 35 10.202 -10.741 -6.230 1.00 23.32 N ATOM 151 CA LEU A 35 10.766 -11.440 -7.379 1.00 5.31 C ATOM 152 C LEU A 35 12.277 -11.257 -7.441 1.00 74.33 C ATOM 153 O LEU A 35 13.029 -12.227 -7.531 1.00 25.14 O ATOM 154 CB LEU A 35 10.129 -10.930 -8.673 1.00 32.23 C ATOM 155 CG LEU A 35 10.422 -11.768 -9.919 1.00 24.40 C ATOM 156 CD1 LEU A 35 11.850 -11.544 -10.391 1.00 62.43 C ATOM 157 CD2 LEU A 35 10.175 -13.244 -9.641 1.00 62.12 C ATOM 0 H LEU A 35 9.549 -9.995 -6.470 1.00 23.32 H new ATOM 0 HA LEU A 35 10.551 -12.503 -7.267 1.00 5.31 H new ATOM 0 HB2 LEU A 35 9.049 -10.882 -8.533 1.00 32.23 H new ATOM 0 HB3 LEU A 35 10.473 -9.911 -8.851 1.00 32.23 H new ATOM 0 HG LEU A 35 9.746 -11.451 -10.713 1.00 24.40 H new ATOM 0 HD11 LEU A 35 12.039 -12.149 -11.278 1.00 62.43 H new ATOM 0 HD12 LEU A 35 11.992 -10.491 -10.633 1.00 62.43 H new ATOM 0 HD13 LEU A 35 12.544 -11.832 -9.601 1.00 62.43 H new ATOM 0 HD21 LEU A 35 10.389 -13.824 -10.539 1.00 62.12 H new ATOM 0 HD22 LEU A 35 10.825 -13.576 -8.831 1.00 62.12 H new ATOM 0 HD23 LEU A 35 9.134 -13.391 -9.353 1.00 62.12 H new ATOM 169 N GLU A 36 12.714 -10.002 -7.399 1.00 3.30 N ATOM 170 CA GLU A 36 14.137 -9.681 -7.455 1.00 22.54 C ATOM 171 C GLU A 36 14.922 -10.462 -6.405 1.00 42.01 C ATOM 172 O GLU A 36 16.069 -10.844 -6.633 1.00 63.01 O ATOM 173 CB GLU A 36 14.345 -8.177 -7.252 1.00 13.33 C ATOM 174 CG GLU A 36 14.573 -7.415 -8.547 1.00 0.04 C ATOM 175 CD GLU A 36 16.001 -6.930 -8.695 1.00 73.01 C ATOM 176 OE1 GLU A 36 16.893 -7.772 -8.936 1.00 3.22 O ATOM 177 OE2 GLU A 36 16.230 -5.709 -8.570 1.00 74.35 O ATOM 0 H GLU A 36 12.102 -9.189 -7.326 1.00 3.30 H new ATOM 0 HA GLU A 36 14.509 -9.968 -8.439 1.00 22.54 H new ATOM 0 HB2 GLU A 36 13.473 -7.763 -6.745 1.00 13.33 H new ATOM 0 HB3 GLU A 36 15.200 -8.022 -6.594 1.00 13.33 H new ATOM 0 HG2 GLU A 36 14.322 -8.057 -9.391 1.00 0.04 H new ATOM 0 HG3 GLU A 36 13.897 -6.561 -8.585 1.00 0.04 H new ATOM 184 N GLY A 37 14.296 -10.697 -5.256 1.00 31.12 N ATOM 185 CA GLY A 37 14.954 -11.432 -4.191 1.00 12.33 C ATOM 186 C GLY A 37 15.435 -12.797 -4.642 1.00 42.24 C ATOM 187 O GLY A 37 16.495 -13.260 -4.220 1.00 2.11 O ATOM 0 H GLY A 37 13.346 -10.392 -5.044 1.00 31.12 H new ATOM 0 HA2 GLY A 37 15.802 -10.854 -3.825 1.00 12.33 H new ATOM 0 HA3 GLY A 37 14.264 -11.551 -3.355 1.00 12.33 H new ATOM 191 N ALA A 38 14.657 -13.441 -5.505 1.00 2.01 N ATOM 192 CA ALA A 38 15.011 -14.759 -6.014 1.00 43.32 C ATOM 193 C ALA A 38 16.166 -14.666 -7.005 1.00 4.21 C ATOM 194 O ALA A 38 17.114 -15.446 -6.945 1.00 51.12 O ATOM 195 CB ALA A 38 13.803 -15.416 -6.666 1.00 2.53 C ATOM 0 H ALA A 38 13.778 -13.071 -5.866 1.00 2.01 H new ATOM 0 HA ALA A 38 15.333 -15.375 -5.174 1.00 43.32 H new ATOM 0 HB1 ALA A 38 14.083 -16.400 -7.042 1.00 2.53 H new ATOM 0 HB2 ALA A 38 13.005 -15.521 -5.931 1.00 2.53 H new ATOM 0 HB3 ALA A 38 13.455 -14.797 -7.493 1.00 2.53 H new ATOM 201 N GLY A 39 16.080 -13.702 -7.914 1.00 33.44 N ATOM 202 CA GLY A 39 17.125 -13.522 -8.903 1.00 33.02 C ATOM 203 C GLY A 39 18.496 -13.336 -8.281 1.00 24.53 C ATOM 204 O GLY A 39 19.514 -13.566 -8.933 1.00 21.51 O ATOM 0 H GLY A 39 15.305 -13.042 -7.984 1.00 33.44 H new ATOM 0 HA2 GLY A 39 17.146 -14.388 -9.565 1.00 33.02 H new ATOM 0 HA3 GLY A 39 16.890 -12.655 -9.520 1.00 33.02 H new ATOM 208 N LYS A 40 18.527 -12.915 -7.018 1.00 31.35 N ATOM 209 CA LYS A 40 19.792 -12.697 -6.322 1.00 14.31 C ATOM 210 C LYS A 40 20.384 -14.015 -5.836 1.00 63.13 C ATOM 211 O LYS A 40 21.590 -14.222 -5.918 1.00 2.14 O ATOM 212 CB LYS A 40 19.605 -11.746 -5.138 1.00 43.44 C ATOM 213 CG LYS A 40 18.608 -10.626 -5.400 1.00 23.22 C ATOM 214 CD LYS A 40 19.217 -9.259 -5.128 1.00 21.52 C ATOM 215 CE LYS A 40 18.235 -8.139 -5.432 1.00 5.32 C ATOM 216 NZ LYS A 40 18.897 -6.985 -6.102 1.00 25.52 N ATOM 0 H LYS A 40 17.696 -12.719 -6.459 1.00 31.35 H new ATOM 0 HA LYS A 40 20.484 -12.245 -7.032 1.00 14.31 H new ATOM 0 HB2 LYS A 40 19.273 -12.320 -4.272 1.00 43.44 H new ATOM 0 HB3 LYS A 40 20.569 -11.308 -4.880 1.00 43.44 H new ATOM 0 HG2 LYS A 40 18.269 -10.675 -6.435 1.00 23.22 H new ATOM 0 HG3 LYS A 40 17.729 -10.765 -4.770 1.00 23.22 H new ATOM 0 HD2 LYS A 40 19.527 -9.199 -4.085 1.00 21.52 H new ATOM 0 HD3 LYS A 40 20.114 -9.132 -5.735 1.00 21.52 H new ATOM 0 HE2 LYS A 40 17.437 -8.519 -6.069 1.00 5.32 H new ATOM 0 HE3 LYS A 40 17.770 -7.803 -4.505 1.00 5.32 H new ATOM 0 HZ1 LYS A 40 18.193 -6.243 -6.292 1.00 25.52 H new ATOM 0 HZ2 LYS A 40 19.642 -6.605 -5.484 1.00 25.52 H new ATOM 0 HZ3 LYS A 40 19.319 -7.300 -6.999 1.00 25.52 H new ATOM 230 N ARG A 41 19.535 -14.903 -5.327 1.00 5.31 N ATOM 231 CA ARG A 41 19.998 -16.199 -4.837 1.00 42.33 C ATOM 232 C ARG A 41 20.172 -17.182 -5.991 1.00 35.22 C ATOM 233 O ARG A 41 21.113 -17.974 -6.014 1.00 4.31 O ATOM 234 CB ARG A 41 19.020 -16.769 -3.798 1.00 43.14 C ATOM 235 CG ARG A 41 17.749 -17.362 -4.394 1.00 44.13 C ATOM 236 CD ARG A 41 17.937 -18.819 -4.798 1.00 31.00 C ATOM 237 NE ARG A 41 17.573 -19.740 -3.719 1.00 43.14 N ATOM 238 CZ ARG A 41 18.447 -20.283 -2.873 1.00 70.15 C ATOM 239 NH1 ARG A 41 19.743 -20.006 -2.968 1.00 23.22 N ATOM 240 NH2 ARG A 41 18.024 -21.109 -1.926 1.00 24.31 N ATOM 0 H ARG A 41 18.530 -14.752 -5.243 1.00 5.31 H new ATOM 0 HA ARG A 41 20.966 -16.051 -4.358 1.00 42.33 H new ATOM 0 HB2 ARG A 41 19.530 -17.539 -3.220 1.00 43.14 H new ATOM 0 HB3 ARG A 41 18.746 -15.977 -3.101 1.00 43.14 H new ATOM 0 HG2 ARG A 41 16.939 -17.288 -3.668 1.00 44.13 H new ATOM 0 HG3 ARG A 41 17.450 -16.779 -5.265 1.00 44.13 H new ATOM 0 HD2 ARG A 41 17.329 -19.033 -5.677 1.00 31.00 H new ATOM 0 HD3 ARG A 41 18.976 -18.985 -5.081 1.00 31.00 H new ATOM 0 HE ARG A 41 16.588 -19.981 -3.608 1.00 43.14 H new ATOM 0 HH11 ARG A 41 20.077 -19.372 -3.694 1.00 23.22 H new ATOM 0 HH12 ARG A 41 20.404 -20.427 -2.315 1.00 23.22 H new ATOM 0 HH21 ARG A 41 17.031 -21.328 -1.846 1.00 24.31 H new ATOM 0 HH22 ARG A 41 18.692 -21.526 -1.277 1.00 24.31 H new ATOM 254 N VAL A 42 19.245 -17.124 -6.939 1.00 64.25 N ATOM 255 CA VAL A 42 19.267 -18.007 -8.099 1.00 3.44 C ATOM 256 C VAL A 42 20.411 -17.668 -9.042 1.00 55.04 C ATOM 257 O VAL A 42 20.840 -18.507 -9.832 1.00 54.05 O ATOM 258 CB VAL A 42 17.943 -17.932 -8.874 1.00 62.32 C ATOM 259 CG1 VAL A 42 17.921 -18.950 -10.006 1.00 74.02 C ATOM 260 CG2 VAL A 42 16.775 -18.145 -7.932 1.00 63.01 C ATOM 0 H VAL A 42 18.463 -16.469 -6.927 1.00 64.25 H new ATOM 0 HA VAL A 42 19.411 -19.019 -7.720 1.00 3.44 H new ATOM 0 HB VAL A 42 17.854 -16.940 -9.316 1.00 62.32 H new ATOM 0 HG11 VAL A 42 16.974 -18.879 -10.541 1.00 74.02 H new ATOM 0 HG12 VAL A 42 18.742 -18.747 -10.693 1.00 74.02 H new ATOM 0 HG13 VAL A 42 18.031 -19.954 -9.595 1.00 74.02 H new ATOM 0 HG21 VAL A 42 15.841 -18.090 -8.492 1.00 63.01 H new ATOM 0 HG22 VAL A 42 16.860 -19.125 -7.463 1.00 63.01 H new ATOM 0 HG23 VAL A 42 16.783 -17.373 -7.162 1.00 63.01 H new ATOM 270 N PHE A 43 20.901 -16.435 -8.964 1.00 53.12 N ATOM 271 CA PHE A 43 21.996 -15.996 -9.820 1.00 63.32 C ATOM 272 C PHE A 43 23.123 -17.032 -9.843 1.00 2.34 C ATOM 273 O PHE A 43 23.860 -17.135 -10.821 1.00 3.24 O ATOM 274 CB PHE A 43 22.515 -14.633 -9.352 1.00 61.03 C ATOM 275 CG PHE A 43 23.556 -14.708 -8.271 1.00 12.45 C ATOM 276 CD1 PHE A 43 23.366 -15.513 -7.162 1.00 2.52 C ATOM 277 CD2 PHE A 43 24.718 -13.967 -8.367 1.00 33.15 C ATOM 278 CE1 PHE A 43 24.320 -15.580 -6.166 1.00 32.30 C ATOM 279 CE2 PHE A 43 25.678 -14.027 -7.374 1.00 43.52 C ATOM 280 CZ PHE A 43 25.479 -14.835 -6.271 1.00 70.42 C ATOM 0 H PHE A 43 20.558 -15.724 -8.318 1.00 53.12 H new ATOM 0 HA PHE A 43 21.621 -15.894 -10.838 1.00 63.32 H new ATOM 0 HB2 PHE A 43 22.933 -14.103 -10.208 1.00 61.03 H new ATOM 0 HB3 PHE A 43 21.674 -14.041 -8.991 1.00 61.03 H new ATOM 0 HD1 PHE A 43 22.461 -16.096 -7.074 1.00 2.52 H new ATOM 0 HD2 PHE A 43 24.878 -13.334 -9.227 1.00 33.15 H new ATOM 0 HE1 PHE A 43 24.161 -16.214 -5.306 1.00 32.30 H new ATOM 0 HE2 PHE A 43 26.582 -13.443 -7.460 1.00 43.52 H new ATOM 0 HZ PHE A 43 26.227 -14.884 -5.493 1.00 70.42 H new ATOM 290 N LYS A 44 23.238 -17.805 -8.764 1.00 54.20 N ATOM 291 CA LYS A 44 24.260 -18.838 -8.668 1.00 62.42 C ATOM 292 C LYS A 44 23.872 -20.035 -9.525 1.00 31.34 C ATOM 293 O LYS A 44 24.723 -20.693 -10.123 1.00 40.53 O ATOM 294 CB LYS A 44 24.445 -19.273 -7.212 1.00 34.10 C ATOM 295 CG LYS A 44 25.895 -19.518 -6.830 1.00 53.31 C ATOM 296 CD LYS A 44 26.138 -19.232 -5.357 1.00 43.11 C ATOM 297 CE LYS A 44 27.564 -18.765 -5.109 1.00 53.02 C ATOM 298 NZ LYS A 44 27.651 -17.285 -4.984 1.00 64.00 N ATOM 0 H LYS A 44 22.634 -17.733 -7.945 1.00 54.20 H new ATOM 0 HA LYS A 44 25.203 -18.431 -9.032 1.00 62.42 H new ATOM 0 HB2 LYS A 44 24.030 -18.507 -6.557 1.00 34.10 H new ATOM 0 HB3 LYS A 44 23.873 -20.185 -7.038 1.00 34.10 H new ATOM 0 HG2 LYS A 44 26.161 -20.552 -7.050 1.00 53.31 H new ATOM 0 HG3 LYS A 44 26.544 -18.886 -7.436 1.00 53.31 H new ATOM 0 HD2 LYS A 44 25.439 -18.470 -5.013 1.00 43.11 H new ATOM 0 HD3 LYS A 44 25.942 -20.131 -4.773 1.00 43.11 H new ATOM 0 HE2 LYS A 44 27.944 -19.229 -4.199 1.00 53.02 H new ATOM 0 HE3 LYS A 44 28.202 -19.098 -5.927 1.00 53.02 H new ATOM 0 HZ1 LYS A 44 28.547 -16.954 -5.396 1.00 64.00 H new ATOM 0 HZ2 LYS A 44 26.855 -16.847 -5.489 1.00 64.00 H new ATOM 0 HZ3 LYS A 44 27.612 -17.019 -3.979 1.00 64.00 H new ATOM 312 N ALA A 45 22.571 -20.298 -9.585 1.00 52.14 N ATOM 313 CA ALA A 45 22.045 -21.399 -10.374 1.00 54.14 C ATOM 314 C ALA A 45 22.122 -21.072 -11.861 1.00 44.20 C ATOM 315 O ALA A 45 22.345 -21.951 -12.693 1.00 30.04 O ATOM 316 CB ALA A 45 20.607 -21.692 -9.966 1.00 75.21 C ATOM 0 H ALA A 45 21.860 -19.758 -9.092 1.00 52.14 H new ATOM 0 HA ALA A 45 22.650 -22.286 -10.187 1.00 54.14 H new ATOM 0 HB1 ALA A 45 20.221 -22.519 -10.562 1.00 75.21 H new ATOM 0 HB2 ALA A 45 20.576 -21.961 -8.910 1.00 75.21 H new ATOM 0 HB3 ALA A 45 19.994 -20.806 -10.133 1.00 75.21 H new ATOM 322 N SER A 46 21.934 -19.795 -12.183 1.00 63.43 N ATOM 323 CA SER A 46 21.983 -19.336 -13.567 1.00 20.33 C ATOM 324 C SER A 46 23.415 -19.037 -13.998 1.00 31.24 C ATOM 325 O SER A 46 23.863 -19.490 -15.051 1.00 22.13 O ATOM 326 CB SER A 46 21.115 -18.089 -13.743 1.00 75.30 C ATOM 327 OG SER A 46 21.778 -16.933 -13.264 1.00 12.45 O ATOM 0 H SER A 46 21.746 -19.059 -11.502 1.00 63.43 H new ATOM 0 HA SER A 46 21.595 -20.135 -14.199 1.00 20.33 H new ATOM 0 HB2 SER A 46 20.868 -17.960 -14.797 1.00 75.30 H new ATOM 0 HB3 SER A 46 20.174 -18.219 -13.209 1.00 75.30 H new ATOM 0 HG SER A 46 21.202 -16.150 -13.390 1.00 12.45 H new ATOM 333 N GLU A 47 24.132 -18.264 -13.182 1.00 64.11 N ATOM 334 CA GLU A 47 25.514 -17.903 -13.490 1.00 23.41 C ATOM 335 C GLU A 47 26.344 -19.139 -13.822 1.00 45.54 C ATOM 336 O GLU A 47 27.243 -19.091 -14.662 1.00 21.41 O ATOM 337 CB GLU A 47 26.150 -17.147 -12.319 1.00 71.31 C ATOM 338 CG GLU A 47 26.420 -18.015 -11.101 1.00 13.52 C ATOM 339 CD GLU A 47 27.746 -18.744 -11.185 1.00 13.53 C ATOM 340 OE1 GLU A 47 28.789 -18.067 -11.308 1.00 64.21 O ATOM 341 OE2 GLU A 47 27.743 -19.992 -11.128 1.00 31.11 O ATOM 0 H GLU A 47 23.780 -17.878 -12.306 1.00 64.11 H new ATOM 0 HA GLU A 47 25.498 -17.252 -14.364 1.00 23.41 H new ATOM 0 HB2 GLU A 47 27.088 -16.703 -12.652 1.00 71.31 H new ATOM 0 HB3 GLU A 47 25.494 -16.326 -12.030 1.00 71.31 H new ATOM 0 HG2 GLU A 47 26.408 -17.392 -10.206 1.00 13.52 H new ATOM 0 HG3 GLU A 47 25.616 -18.743 -10.993 1.00 13.52 H new ATOM 348 N LYS A 48 26.038 -20.247 -13.153 1.00 25.22 N ATOM 349 CA LYS A 48 26.756 -21.497 -13.373 1.00 73.20 C ATOM 350 C LYS A 48 26.478 -22.051 -14.766 1.00 71.33 C ATOM 351 O LYS A 48 27.370 -22.592 -15.419 1.00 63.50 O ATOM 352 CB LYS A 48 26.361 -22.528 -12.312 1.00 52.35 C ATOM 353 CG LYS A 48 27.521 -23.388 -11.840 1.00 42.05 C ATOM 354 CD LYS A 48 27.324 -23.844 -10.403 1.00 15.03 C ATOM 355 CE LYS A 48 28.647 -23.924 -9.658 1.00 44.51 C ATOM 356 NZ LYS A 48 28.513 -23.481 -8.242 1.00 43.24 N ATOM 0 H LYS A 48 25.297 -20.304 -12.454 1.00 25.22 H new ATOM 0 HA LYS A 48 27.823 -21.292 -13.293 1.00 73.20 H new ATOM 0 HB2 LYS A 48 25.932 -22.009 -11.455 1.00 52.35 H new ATOM 0 HB3 LYS A 48 25.582 -23.174 -12.717 1.00 52.35 H new ATOM 0 HG2 LYS A 48 27.619 -24.258 -12.489 1.00 42.05 H new ATOM 0 HG3 LYS A 48 28.450 -22.824 -11.920 1.00 42.05 H new ATOM 0 HD2 LYS A 48 26.657 -23.152 -9.889 1.00 15.03 H new ATOM 0 HD3 LYS A 48 26.840 -24.821 -10.393 1.00 15.03 H new ATOM 0 HE2 LYS A 48 29.018 -24.949 -9.685 1.00 44.51 H new ATOM 0 HE3 LYS A 48 29.387 -23.304 -10.164 1.00 44.51 H new ATOM 0 HZ1 LYS A 48 29.436 -23.550 -7.768 1.00 43.24 H new ATOM 0 HZ2 LYS A 48 28.184 -22.495 -8.216 1.00 43.24 H new ATOM 0 HZ3 LYS A 48 27.826 -24.088 -7.752 1.00 43.24 H new ATOM 370 N ALA A 49 25.235 -21.914 -15.217 1.00 33.04 N ATOM 371 CA ALA A 49 24.844 -22.404 -16.534 1.00 54.22 C ATOM 372 C ALA A 49 24.880 -21.302 -17.580 1.00 33.33 C ATOM 373 O ALA A 49 24.368 -21.486 -18.679 1.00 21.34 O ATOM 374 CB ALA A 49 23.461 -23.017 -16.487 1.00 41.12 C ATOM 0 H ALA A 49 24.483 -21.469 -14.691 1.00 33.04 H new ATOM 0 HA ALA A 49 25.568 -23.167 -16.820 1.00 54.22 H new ATOM 0 HB1 ALA A 49 23.188 -23.376 -17.479 1.00 41.12 H new ATOM 0 HB2 ALA A 49 23.456 -23.851 -15.785 1.00 41.12 H new ATOM 0 HB3 ALA A 49 22.741 -22.266 -16.163 1.00 41.12 H new ATOM 380 N LEU A 50 25.493 -20.163 -17.261 1.00 5.14 N ATOM 381 CA LEU A 50 25.577 -19.079 -18.233 1.00 72.44 C ATOM 382 C LEU A 50 26.236 -19.573 -19.511 1.00 23.33 C ATOM 383 O LEU A 50 25.759 -19.320 -20.608 1.00 24.42 O ATOM 384 CB LEU A 50 26.321 -17.863 -17.671 1.00 12.15 C ATOM 385 CG LEU A 50 26.524 -16.705 -18.649 1.00 74.24 C ATOM 386 CD1 LEU A 50 26.303 -15.370 -17.949 1.00 33.33 C ATOM 387 CD2 LEU A 50 27.916 -16.762 -19.260 1.00 62.41 C ATOM 0 H LEU A 50 25.929 -19.971 -16.359 1.00 5.14 H new ATOM 0 HA LEU A 50 24.561 -18.755 -18.460 1.00 72.44 H new ATOM 0 HB2 LEU A 50 25.773 -17.492 -16.805 1.00 12.15 H new ATOM 0 HB3 LEU A 50 27.298 -18.190 -17.314 1.00 12.15 H new ATOM 0 HG LEU A 50 25.791 -16.799 -19.451 1.00 74.24 H new ATOM 0 HD11 LEU A 50 26.452 -14.557 -18.660 1.00 33.33 H new ATOM 0 HD12 LEU A 50 25.287 -15.328 -17.558 1.00 33.33 H new ATOM 0 HD13 LEU A 50 27.012 -15.268 -17.128 1.00 33.33 H new ATOM 0 HD21 LEU A 50 28.043 -15.931 -19.953 1.00 62.41 H new ATOM 0 HD22 LEU A 50 28.663 -16.693 -18.470 1.00 62.41 H new ATOM 0 HD23 LEU A 50 28.040 -17.703 -19.795 1.00 62.41 H new ATOM 399 N PRO A 51 27.310 -20.345 -19.368 1.00 62.43 N ATOM 400 CA PRO A 51 28.010 -20.945 -20.497 1.00 54.13 C ATOM 401 C PRO A 51 27.119 -21.977 -21.178 1.00 3.11 C ATOM 402 O PRO A 51 27.309 -22.320 -22.346 1.00 60.21 O ATOM 403 CB PRO A 51 29.235 -21.629 -19.871 1.00 72.23 C ATOM 404 CG PRO A 51 29.238 -21.256 -18.421 1.00 71.05 C ATOM 405 CD PRO A 51 27.863 -20.746 -18.085 1.00 21.13 C ATOM 0 HA PRO A 51 28.286 -20.212 -21.255 1.00 54.13 H new ATOM 0 HB2 PRO A 51 29.179 -22.711 -19.993 1.00 72.23 H new ATOM 0 HB3 PRO A 51 30.153 -21.300 -20.358 1.00 72.23 H new ATOM 0 HG2 PRO A 51 29.489 -22.118 -17.803 1.00 71.05 H new ATOM 0 HG3 PRO A 51 29.990 -20.492 -18.223 1.00 71.05 H new ATOM 0 HD2 PRO A 51 27.256 -21.518 -17.613 1.00 21.13 H new ATOM 0 HD3 PRO A 51 27.908 -19.907 -17.391 1.00 21.13 H new ATOM 413 N VAL A 52 26.141 -22.462 -20.416 1.00 71.25 N ATOM 414 CA VAL A 52 25.191 -23.455 -20.890 1.00 21.14 C ATOM 415 C VAL A 52 23.894 -22.802 -21.348 1.00 61.45 C ATOM 416 O VAL A 52 23.114 -23.411 -22.075 1.00 63.41 O ATOM 417 CB VAL A 52 24.893 -24.484 -19.779 1.00 51.45 C ATOM 418 CG1 VAL A 52 23.757 -25.412 -20.167 1.00 32.52 C ATOM 419 CG2 VAL A 52 26.146 -25.277 -19.441 1.00 4.14 C ATOM 0 H VAL A 52 25.988 -22.174 -19.450 1.00 71.25 H new ATOM 0 HA VAL A 52 25.639 -23.965 -21.743 1.00 21.14 H new ATOM 0 HB VAL A 52 24.577 -23.935 -18.892 1.00 51.45 H new ATOM 0 HG11 VAL A 52 23.576 -26.122 -19.360 1.00 32.52 H new ATOM 0 HG12 VAL A 52 22.854 -24.827 -20.345 1.00 32.52 H new ATOM 0 HG13 VAL A 52 24.023 -25.954 -21.075 1.00 32.52 H new ATOM 0 HG21 VAL A 52 25.919 -25.998 -18.656 1.00 4.14 H new ATOM 0 HG22 VAL A 52 26.493 -25.805 -20.329 1.00 4.14 H new ATOM 0 HG23 VAL A 52 26.925 -24.597 -19.095 1.00 4.14 H new ATOM 429 N VAL A 53 23.684 -21.557 -20.937 1.00 13.34 N ATOM 430 CA VAL A 53 22.502 -20.809 -21.329 1.00 53.24 C ATOM 431 C VAL A 53 22.863 -19.881 -22.481 1.00 55.11 C ATOM 432 O VAL A 53 22.027 -19.545 -23.321 1.00 72.53 O ATOM 433 CB VAL A 53 21.919 -19.996 -20.148 1.00 25.52 C ATOM 434 CG1 VAL A 53 22.640 -18.666 -19.975 1.00 34.10 C ATOM 435 CG2 VAL A 53 20.426 -19.777 -20.342 1.00 73.45 C ATOM 0 H VAL A 53 24.323 -21.044 -20.329 1.00 13.34 H new ATOM 0 HA VAL A 53 21.734 -21.515 -21.644 1.00 53.24 H new ATOM 0 HB VAL A 53 22.073 -20.573 -19.236 1.00 25.52 H new ATOM 0 HG11 VAL A 53 22.204 -18.122 -19.137 1.00 34.10 H new ATOM 0 HG12 VAL A 53 23.697 -18.848 -19.779 1.00 34.10 H new ATOM 0 HG13 VAL A 53 22.536 -18.075 -20.885 1.00 34.10 H new ATOM 0 HG21 VAL A 53 20.030 -19.204 -19.504 1.00 73.45 H new ATOM 0 HG22 VAL A 53 20.256 -19.229 -21.269 1.00 73.45 H new ATOM 0 HG23 VAL A 53 19.920 -20.741 -20.393 1.00 73.45 H new ATOM 445 N VAL A 54 24.136 -19.490 -22.514 1.00 30.33 N ATOM 446 CA VAL A 54 24.653 -18.624 -23.557 1.00 1.11 C ATOM 447 C VAL A 54 24.996 -19.425 -24.791 1.00 23.43 C ATOM 448 O VAL A 54 24.710 -19.010 -25.906 1.00 74.11 O ATOM 449 CB VAL A 54 25.915 -17.864 -23.097 1.00 30.30 C ATOM 450 CG1 VAL A 54 25.655 -17.092 -21.810 1.00 0.50 C ATOM 451 CG2 VAL A 54 27.093 -18.816 -22.919 1.00 75.02 C ATOM 0 H VAL A 54 24.830 -19.766 -21.819 1.00 30.33 H new ATOM 0 HA VAL A 54 23.869 -17.901 -23.785 1.00 1.11 H new ATOM 0 HB VAL A 54 26.169 -17.147 -23.877 1.00 30.30 H new ATOM 0 HG11 VAL A 54 26.562 -16.567 -21.511 1.00 0.50 H new ATOM 0 HG12 VAL A 54 24.855 -16.370 -21.974 1.00 0.50 H new ATOM 0 HG13 VAL A 54 25.361 -17.786 -21.022 1.00 0.50 H new ATOM 0 HG21 VAL A 54 27.969 -18.254 -22.595 1.00 75.02 H new ATOM 0 HG22 VAL A 54 26.844 -19.566 -22.168 1.00 75.02 H new ATOM 0 HG23 VAL A 54 27.309 -19.309 -23.867 1.00 75.02 H new ATOM 461 N GLY A 55 25.612 -20.579 -24.583 1.00 74.22 N ATOM 462 CA GLY A 55 25.985 -21.427 -25.694 1.00 51.50 C ATOM 463 C GLY A 55 24.873 -21.557 -26.706 1.00 32.13 C ATOM 464 O GLY A 55 25.124 -21.723 -27.895 1.00 74.22 O ATOM 0 H GLY A 55 25.860 -20.943 -23.663 1.00 74.22 H new ATOM 0 HA2 GLY A 55 26.871 -21.019 -26.180 1.00 51.50 H new ATOM 0 HA3 GLY A 55 26.253 -22.416 -25.321 1.00 51.50 H new ATOM 468 N ILE A 56 23.638 -21.459 -26.232 1.00 14.32 N ATOM 469 CA ILE A 56 22.480 -21.545 -27.121 1.00 40.23 C ATOM 470 C ILE A 56 22.207 -20.187 -27.745 1.00 3.41 C ATOM 471 O ILE A 56 21.906 -20.081 -28.934 1.00 24.03 O ATOM 472 CB ILE A 56 21.209 -22.023 -26.391 1.00 65.42 C ATOM 473 CG1 ILE A 56 21.564 -22.999 -25.273 1.00 34.10 C ATOM 474 CG2 ILE A 56 20.242 -22.665 -27.375 1.00 32.11 C ATOM 475 CD1 ILE A 56 21.602 -22.343 -23.914 1.00 50.13 C ATOM 0 H ILE A 56 23.410 -21.321 -25.247 1.00 14.32 H new ATOM 0 HA ILE A 56 22.723 -22.280 -27.888 1.00 40.23 H new ATOM 0 HB ILE A 56 20.723 -21.156 -25.944 1.00 65.42 H new ATOM 0 HG12 ILE A 56 20.836 -23.810 -25.260 1.00 34.10 H new ATOM 0 HG13 ILE A 56 22.535 -23.447 -25.483 1.00 34.10 H new ATOM 0 HG21 ILE A 56 19.350 -22.997 -26.844 1.00 32.11 H new ATOM 0 HG22 ILE A 56 19.961 -21.937 -28.137 1.00 32.11 H new ATOM 0 HG23 ILE A 56 20.721 -23.521 -27.850 1.00 32.11 H new ATOM 0 HD11 ILE A 56 21.860 -23.085 -23.159 1.00 50.13 H new ATOM 0 HD12 ILE A 56 22.350 -21.550 -23.913 1.00 50.13 H new ATOM 0 HD13 ILE A 56 20.624 -21.919 -23.687 1.00 50.13 H new ATOM 487 N LYS A 57 22.344 -19.144 -26.937 1.00 2.34 N ATOM 488 CA LYS A 57 22.147 -17.786 -27.413 1.00 5.15 C ATOM 489 C LYS A 57 23.361 -17.351 -28.225 1.00 42.01 C ATOM 490 O LYS A 57 23.279 -16.444 -29.052 1.00 2.43 O ATOM 491 CB LYS A 57 21.924 -16.832 -26.237 1.00 41.52 C ATOM 492 CG LYS A 57 20.460 -16.508 -25.985 1.00 51.04 C ATOM 493 CD LYS A 57 20.184 -15.018 -26.109 1.00 55.23 C ATOM 494 CE LYS A 57 20.479 -14.288 -24.809 1.00 60.34 C ATOM 495 NZ LYS A 57 19.524 -13.170 -24.570 1.00 32.11 N ATOM 0 H LYS A 57 22.591 -19.215 -25.950 1.00 2.34 H new ATOM 0 HA LYS A 57 21.261 -17.756 -28.047 1.00 5.15 H new ATOM 0 HB2 LYS A 57 22.350 -17.273 -25.336 1.00 41.52 H new ATOM 0 HB3 LYS A 57 22.466 -15.905 -26.424 1.00 41.52 H new ATOM 0 HG2 LYS A 57 19.839 -17.053 -26.696 1.00 51.04 H new ATOM 0 HG3 LYS A 57 20.178 -16.849 -24.989 1.00 51.04 H new ATOM 0 HD2 LYS A 57 20.794 -14.599 -26.909 1.00 55.23 H new ATOM 0 HD3 LYS A 57 19.142 -14.862 -26.387 1.00 55.23 H new ATOM 0 HE2 LYS A 57 20.429 -14.992 -23.978 1.00 60.34 H new ATOM 0 HE3 LYS A 57 21.496 -13.897 -24.835 1.00 60.34 H new ATOM 0 HZ1 LYS A 57 19.759 -12.698 -23.674 1.00 32.11 H new ATOM 0 HZ2 LYS A 57 19.589 -12.485 -25.350 1.00 32.11 H new ATOM 0 HZ3 LYS A 57 18.555 -13.546 -24.519 1.00 32.11 H new ATOM 509 N ALA A 58 24.489 -18.021 -27.986 1.00 12.10 N ATOM 510 CA ALA A 58 25.722 -17.722 -28.696 1.00 74.42 C ATOM 511 C ALA A 58 25.771 -18.481 -30.019 1.00 52.12 C ATOM 512 O ALA A 58 26.406 -18.039 -30.978 1.00 72.44 O ATOM 513 CB ALA A 58 26.923 -18.064 -27.826 1.00 72.52 C ATOM 0 H ALA A 58 24.569 -18.775 -27.304 1.00 12.10 H new ATOM 0 HA ALA A 58 25.753 -16.655 -28.918 1.00 74.42 H new ATOM 0 HB1 ALA A 58 27.841 -17.836 -28.367 1.00 72.52 H new ATOM 0 HB2 ALA A 58 26.887 -17.476 -26.909 1.00 72.52 H new ATOM 0 HB3 ALA A 58 26.902 -19.125 -27.578 1.00 72.52 H new ATOM 519 N ILE A 59 25.081 -19.618 -30.066 1.00 1.40 N ATOM 520 CA ILE A 59 25.026 -20.437 -31.271 1.00 0.53 C ATOM 521 C ILE A 59 23.823 -20.056 -32.115 1.00 54.32 C ATOM 522 O ILE A 59 23.927 -19.889 -33.331 1.00 65.03 O ATOM 523 CB ILE A 59 24.963 -21.938 -30.936 1.00 53.33 C ATOM 524 CG1 ILE A 59 23.732 -22.265 -30.093 1.00 2.24 C ATOM 525 CG2 ILE A 59 26.229 -22.352 -30.217 1.00 74.55 C ATOM 526 CD1 ILE A 59 22.517 -22.641 -30.912 1.00 74.22 C ATOM 0 H ILE A 59 24.551 -19.993 -29.279 1.00 1.40 H new ATOM 0 HA ILE A 59 25.941 -20.250 -31.833 1.00 0.53 H new ATOM 0 HB ILE A 59 24.881 -22.499 -31.867 1.00 53.33 H new ATOM 0 HG12 ILE A 59 23.973 -23.086 -29.418 1.00 2.24 H new ATOM 0 HG13 ILE A 59 23.488 -21.403 -29.472 1.00 2.24 H new ATOM 0 HG21 ILE A 59 26.182 -23.415 -29.981 1.00 74.55 H new ATOM 0 HG22 ILE A 59 27.090 -22.160 -30.857 1.00 74.55 H new ATOM 0 HG23 ILE A 59 26.327 -21.779 -29.295 1.00 74.55 H new ATOM 0 HD11 ILE A 59 21.683 -22.860 -30.246 1.00 74.22 H new ATOM 0 HD12 ILE A 59 22.250 -21.813 -31.568 1.00 74.22 H new ATOM 0 HD13 ILE A 59 22.742 -23.522 -31.513 1.00 74.22 H new ATOM 538 N GLY A 60 22.686 -19.893 -31.454 1.00 25.42 N ATOM 539 CA GLY A 60 21.481 -19.500 -32.147 1.00 72.43 C ATOM 540 C GLY A 60 21.360 -17.994 -32.227 1.00 43.22 C ATOM 541 O GLY A 60 20.409 -17.466 -32.805 1.00 12.34 O ATOM 0 H GLY A 60 22.579 -20.027 -30.449 1.00 25.42 H new ATOM 0 HA2 GLY A 60 21.483 -19.921 -33.152 1.00 72.43 H new ATOM 0 HA3 GLY A 60 20.612 -19.910 -31.632 1.00 72.43 H new ATOM 545 N LYS A 61 22.334 -17.298 -31.639 1.00 14.01 N ATOM 546 CA LYS A 61 22.341 -15.840 -31.642 1.00 24.43 C ATOM 547 C LYS A 61 21.091 -15.289 -30.962 1.00 13.14 C ATOM 548 O LYS A 61 21.129 -15.088 -29.730 1.00 21.43 O ATOM 549 CB LYS A 61 22.432 -15.311 -33.074 1.00 42.24 C ATOM 550 CG LYS A 61 23.664 -15.794 -33.823 1.00 63.53 C ATOM 551 CD LYS A 61 23.324 -16.906 -34.803 1.00 5.34 C ATOM 552 CE LYS A 61 24.414 -17.080 -35.848 1.00 32.50 C ATOM 553 NZ LYS A 61 24.318 -18.397 -36.538 1.00 40.03 N ATOM 554 OXT LYS A 61 20.086 -15.062 -31.668 1.00 38.41 O ATOM 0 H LYS A 61 23.126 -17.722 -31.156 1.00 14.01 H new ATOM 0 HA LYS A 61 23.215 -15.505 -31.083 1.00 24.43 H new ATOM 0 HB2 LYS A 61 21.541 -15.616 -33.623 1.00 42.24 H new ATOM 0 HB3 LYS A 61 22.435 -14.221 -33.051 1.00 42.24 H new ATOM 0 HG2 LYS A 61 24.114 -14.959 -34.361 1.00 63.53 H new ATOM 0 HG3 LYS A 61 24.407 -16.151 -33.110 1.00 63.53 H new ATOM 0 HD2 LYS A 61 23.186 -17.841 -34.260 1.00 5.34 H new ATOM 0 HD3 LYS A 61 22.378 -16.681 -35.296 1.00 5.34 H new ATOM 0 HE2 LYS A 61 24.343 -16.279 -36.584 1.00 32.50 H new ATOM 0 HE3 LYS A 61 25.391 -16.990 -35.372 1.00 32.50 H new ATOM 0 HZ1 LYS A 61 25.079 -18.476 -37.243 1.00 40.03 H new ATOM 0 HZ2 LYS A 61 24.412 -19.162 -35.840 1.00 40.03 H new ATOM 0 HZ3 LYS A 61 23.396 -18.473 -37.014 1.00 40.03 H new