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+ 177:sc= 0 (180deg=-0.0115) 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+ 179:sc= 0.00309 (180deg=0.00142) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 3.201 0.175 0.134 1.00 13.00 N ATOM 2 CA GLY A 26 3.125 -1.083 0.927 1.00 45.03 C ATOM 3 C GLY A 26 3.397 -2.314 0.086 1.00 22.24 C ATOM 4 O GLY A 26 4.350 -3.051 0.341 1.00 62.14 O ATOM 0 HA2 GLY A 26 3.845 -1.038 1.744 1.00 45.03 H new ATOM 0 HA3 GLY A 26 2.136 -1.166 1.378 1.00 45.03 H new ATOM 10 N GLY A 27 2.556 -2.538 -0.920 1.00 20.34 N ATOM 11 CA GLY A 27 2.725 -3.689 -1.786 1.00 0.40 C ATOM 12 C GLY A 27 3.683 -3.422 -2.929 1.00 51.24 C ATOM 13 O GLY A 27 4.323 -4.343 -3.439 1.00 74.31 O ATOM 0 H GLY A 27 1.761 -1.942 -1.150 1.00 20.34 H new ATOM 0 HA2 GLY A 27 3.092 -4.531 -1.198 1.00 0.40 H new ATOM 0 HA3 GLY A 27 1.756 -3.981 -2.190 1.00 0.40 H new ATOM 17 N LEU A 28 3.785 -2.158 -3.338 1.00 51.44 N ATOM 18 CA LEU A 28 4.675 -1.776 -4.434 1.00 52.24 C ATOM 19 C LEU A 28 6.070 -2.331 -4.209 1.00 45.10 C ATOM 20 O LEU A 28 6.562 -3.152 -4.984 1.00 42.41 O ATOM 21 CB LEU A 28 4.752 -0.253 -4.551 1.00 32.32 C ATOM 22 CG LEU A 28 4.625 0.518 -3.233 1.00 53.14 C ATOM 23 CD1 LEU A 28 5.597 1.688 -3.199 1.00 64.44 C ATOM 24 CD2 LEU A 28 3.199 1.004 -3.036 1.00 2.03 C ATOM 0 H LEU A 28 3.264 -1.383 -2.928 1.00 51.44 H new ATOM 0 HA LEU A 28 4.270 -2.191 -5.357 1.00 52.24 H new ATOM 0 HB2 LEU A 28 5.702 0.010 -5.016 1.00 32.32 H new ATOM 0 HB3 LEU A 28 3.964 0.082 -5.225 1.00 32.32 H new ATOM 0 HG LEU A 28 4.875 -0.158 -2.415 1.00 53.14 H new ATOM 0 HD11 LEU A 28 5.491 2.222 -2.255 1.00 64.44 H new ATOM 0 HD12 LEU A 28 6.617 1.316 -3.293 1.00 64.44 H new ATOM 0 HD13 LEU A 28 5.380 2.365 -4.025 1.00 64.44 H new ATOM 0 HD21 LEU A 28 3.127 1.549 -2.095 1.00 2.03 H new ATOM 0 HD22 LEU A 28 2.922 1.663 -3.859 1.00 2.03 H new ATOM 0 HD23 LEU A 28 2.523 0.149 -3.012 1.00 2.03 H new ATOM 36 N LYS A 29 6.686 -1.892 -3.127 1.00 73.22 N ATOM 37 CA LYS A 29 8.016 -2.356 -2.766 1.00 24.32 C ATOM 38 C LYS A 29 7.971 -3.844 -2.440 1.00 3.52 C ATOM 39 O LYS A 29 8.977 -4.546 -2.539 1.00 43.54 O ATOM 40 CB LYS A 29 8.551 -1.570 -1.567 1.00 11.31 C ATOM 41 CG LYS A 29 9.076 -0.190 -1.929 1.00 22.22 C ATOM 42 CD LYS A 29 8.755 0.829 -0.846 1.00 34.43 C ATOM 43 CE LYS A 29 9.476 0.508 0.452 1.00 52.14 C ATOM 44 NZ LYS A 29 10.932 0.812 0.370 1.00 1.41 N ATOM 0 H LYS A 29 6.286 -1.212 -2.480 1.00 73.22 H new ATOM 0 HA LYS A 29 8.686 -2.194 -3.610 1.00 24.32 H new ATOM 0 HB2 LYS A 29 7.756 -1.465 -0.828 1.00 11.31 H new ATOM 0 HB3 LYS A 29 9.351 -2.142 -1.096 1.00 11.31 H new ATOM 0 HG2 LYS A 29 10.155 -0.237 -2.078 1.00 22.22 H new ATOM 0 HG3 LYS A 29 8.638 0.131 -2.874 1.00 22.22 H new ATOM 0 HD2 LYS A 29 9.041 1.825 -1.186 1.00 34.43 H new ATOM 0 HD3 LYS A 29 7.679 0.849 -0.671 1.00 34.43 H new ATOM 0 HE2 LYS A 29 9.031 1.081 1.265 1.00 52.14 H new ATOM 0 HE3 LYS A 29 9.338 -0.546 0.692 1.00 52.14 H new ATOM 0 HZ1 LYS A 29 11.378 0.627 1.291 1.00 1.41 H new ATOM 0 HZ2 LYS A 29 11.372 0.210 -0.355 1.00 1.41 H new ATOM 0 HZ3 LYS A 29 11.064 1.812 0.116 1.00 1.41 H new ATOM 58 N LYS A 30 6.787 -4.317 -2.055 1.00 24.44 N ATOM 59 CA LYS A 30 6.594 -5.721 -1.718 1.00 42.12 C ATOM 60 C LYS A 30 6.711 -6.596 -2.961 1.00 31.00 C ATOM 61 O LYS A 30 7.292 -7.681 -2.916 1.00 42.15 O ATOM 62 CB LYS A 30 5.225 -5.924 -1.065 1.00 32.12 C ATOM 63 CG LYS A 30 5.230 -6.947 0.058 1.00 63.50 C ATOM 64 CD LYS A 30 4.293 -6.543 1.185 1.00 61.22 C ATOM 65 CE LYS A 30 3.423 -7.707 1.632 1.00 1.42 C ATOM 66 NZ LYS A 30 2.274 -7.928 0.711 1.00 53.40 N ATOM 0 H LYS A 30 5.947 -3.745 -1.969 1.00 24.44 H new ATOM 0 HA LYS A 30 7.373 -6.013 -1.014 1.00 42.12 H new ATOM 0 HB2 LYS A 30 4.874 -4.969 -0.673 1.00 32.12 H new ATOM 0 HB3 LYS A 30 4.512 -6.238 -1.827 1.00 32.12 H new ATOM 0 HG2 LYS A 30 4.932 -7.920 -0.333 1.00 63.50 H new ATOM 0 HG3 LYS A 30 6.242 -7.057 0.447 1.00 63.50 H new ATOM 0 HD2 LYS A 30 4.876 -6.178 2.031 1.00 61.22 H new ATOM 0 HD3 LYS A 30 3.659 -5.720 0.855 1.00 61.22 H new ATOM 0 HE2 LYS A 30 4.027 -8.613 1.683 1.00 1.42 H new ATOM 0 HE3 LYS A 30 3.050 -7.516 2.638 1.00 1.42 H new ATOM 0 HZ1 LYS A 30 1.706 -8.730 1.051 1.00 53.40 H new ATOM 0 HZ2 LYS A 30 1.683 -7.073 0.682 1.00 53.40 H new ATOM 0 HZ3 LYS A 30 2.630 -8.136 -0.244 1.00 53.40 H new ATOM 80 N LEU A 31 6.154 -6.120 -4.071 1.00 72.50 N ATOM 81 CA LEU A 31 6.197 -6.860 -5.326 1.00 70.50 C ATOM 82 C LEU A 31 7.528 -6.644 -6.039 1.00 33.03 C ATOM 83 O LEU A 31 8.057 -7.555 -6.675 1.00 4.03 O ATOM 84 CB LEU A 31 5.042 -6.431 -6.234 1.00 73.25 C ATOM 85 CG LEU A 31 5.061 -7.038 -7.639 1.00 72.14 C ATOM 86 CD1 LEU A 31 4.915 -8.551 -7.567 1.00 25.20 C ATOM 87 CD2 LEU A 31 3.959 -6.434 -8.495 1.00 60.34 C ATOM 0 H LEU A 31 5.668 -5.225 -4.126 1.00 72.50 H new ATOM 0 HA LEU A 31 6.096 -7.921 -5.098 1.00 70.50 H new ATOM 0 HB2 LEU A 31 4.102 -6.699 -5.752 1.00 73.25 H new ATOM 0 HB3 LEU A 31 5.055 -5.345 -6.324 1.00 73.25 H new ATOM 0 HG LEU A 31 6.020 -6.807 -8.102 1.00 72.14 H new ATOM 0 HD11 LEU A 31 4.930 -8.966 -8.575 1.00 25.20 H new ATOM 0 HD12 LEU A 31 5.740 -8.969 -6.989 1.00 25.20 H new ATOM 0 HD13 LEU A 31 3.970 -8.803 -7.085 1.00 25.20 H new ATOM 0 HD21 LEU A 31 3.987 -6.877 -9.490 1.00 60.34 H new ATOM 0 HD22 LEU A 31 2.991 -6.634 -8.036 1.00 60.34 H new ATOM 0 HD23 LEU A 31 4.108 -5.357 -8.573 1.00 60.34 H new ATOM 99 N GLY A 32 8.061 -5.433 -5.929 1.00 22.53 N ATOM 100 CA GLY A 32 9.324 -5.116 -6.569 1.00 42.30 C ATOM 101 C GLY A 32 10.507 -5.794 -5.905 1.00 13.33 C ATOM 102 O GLY A 32 11.554 -5.973 -6.525 1.00 71.00 O ATOM 0 H GLY A 32 7.641 -4.664 -5.407 1.00 22.53 H new ATOM 0 HA2 GLY A 32 9.280 -5.415 -7.616 1.00 42.30 H new ATOM 0 HA3 GLY A 32 9.474 -4.036 -6.552 1.00 42.30 H new ATOM 106 N LYS A 33 10.343 -6.171 -4.640 1.00 51.32 N ATOM 107 CA LYS A 33 11.410 -6.830 -3.896 1.00 70.34 C ATOM 108 C LYS A 33 11.228 -8.345 -3.899 1.00 15.14 C ATOM 109 O LYS A 33 12.198 -9.096 -3.791 1.00 71.30 O ATOM 110 CB LYS A 33 11.450 -6.313 -2.456 1.00 61.15 C ATOM 111 CG LYS A 33 12.167 -4.981 -2.308 1.00 23.23 C ATOM 112 CD LYS A 33 12.960 -4.916 -1.013 1.00 62.41 C ATOM 113 CE LYS A 33 14.277 -4.180 -1.204 1.00 73.31 C ATOM 114 NZ LYS A 33 15.209 -4.404 -0.066 1.00 24.22 N ATOM 0 H LYS A 33 9.483 -6.031 -4.110 1.00 51.32 H new ATOM 0 HA LYS A 33 12.355 -6.597 -4.387 1.00 70.34 H new ATOM 0 HB2 LYS A 33 10.429 -6.210 -2.087 1.00 61.15 H new ATOM 0 HB3 LYS A 33 11.943 -7.054 -1.826 1.00 61.15 H new ATOM 0 HG2 LYS A 33 12.837 -4.832 -3.154 1.00 23.23 H new ATOM 0 HG3 LYS A 33 11.439 -4.170 -2.331 1.00 23.23 H new ATOM 0 HD2 LYS A 33 12.369 -4.414 -0.248 1.00 62.41 H new ATOM 0 HD3 LYS A 33 13.155 -5.926 -0.653 1.00 62.41 H new ATOM 0 HE2 LYS A 33 14.748 -4.512 -2.129 1.00 73.31 H new ATOM 0 HE3 LYS A 33 14.084 -3.112 -1.310 1.00 73.31 H new ATOM 0 HZ1 LYS A 33 16.094 -3.885 -0.235 1.00 24.22 H new ATOM 0 HZ2 LYS A 33 14.771 -4.064 0.814 1.00 24.22 H new ATOM 0 HZ3 LYS A 33 15.414 -5.420 0.020 1.00 24.22 H new ATOM 128 N LYS A 34 9.982 -8.791 -4.025 1.00 33.34 N ATOM 129 CA LYS A 34 9.677 -10.216 -4.042 1.00 33.22 C ATOM 130 C LYS A 34 10.342 -10.896 -5.234 1.00 71.22 C ATOM 131 O LYS A 34 11.106 -11.847 -5.076 1.00 1.42 O ATOM 132 CB LYS A 34 8.166 -10.434 -4.097 1.00 31.34 C ATOM 133 CG LYS A 34 7.753 -11.883 -3.902 1.00 32.23 C ATOM 134 CD LYS A 34 6.310 -11.994 -3.436 1.00 22.21 C ATOM 135 CE LYS A 34 5.857 -13.442 -3.367 1.00 70.12 C ATOM 136 NZ LYS A 34 4.888 -13.669 -2.259 1.00 74.51 N ATOM 0 H LYS A 34 9.167 -8.185 -4.117 1.00 33.34 H new ATOM 0 HA LYS A 34 10.068 -10.658 -3.126 1.00 33.22 H new ATOM 0 HB2 LYS A 34 7.691 -9.823 -3.329 1.00 31.34 H new ATOM 0 HB3 LYS A 34 7.792 -10.085 -5.059 1.00 31.34 H new ATOM 0 HG2 LYS A 34 7.877 -12.427 -4.839 1.00 32.23 H new ATOM 0 HG3 LYS A 34 8.410 -12.354 -3.171 1.00 32.23 H new ATOM 0 HD2 LYS A 34 6.207 -11.532 -2.454 1.00 22.21 H new ATOM 0 HD3 LYS A 34 5.663 -11.441 -4.117 1.00 22.21 H new ATOM 0 HE2 LYS A 34 5.398 -13.724 -4.314 1.00 70.12 H new ATOM 0 HE3 LYS A 34 6.724 -14.087 -3.229 1.00 70.12 H new ATOM 0 HZ1 LYS A 34 4.604 -14.669 -2.246 1.00 74.51 H new ATOM 0 HZ2 LYS A 34 5.334 -13.424 -1.352 1.00 74.51 H new ATOM 0 HZ3 LYS A 34 4.049 -13.072 -2.404 1.00 74.51 H new ATOM 150 N LEU A 35 10.044 -10.395 -6.428 1.00 70.22 N ATOM 151 CA LEU A 35 10.611 -10.947 -7.653 1.00 24.31 C ATOM 152 C LEU A 35 12.122 -10.764 -7.681 1.00 54.45 C ATOM 153 O LEU A 35 12.873 -11.722 -7.860 1.00 13.42 O ATOM 154 CB LEU A 35 9.989 -10.269 -8.874 1.00 51.24 C ATOM 155 CG LEU A 35 10.362 -10.892 -10.220 1.00 44.21 C ATOM 156 CD1 LEU A 35 9.999 -12.369 -10.244 1.00 2.13 C ATOM 157 CD2 LEU A 35 9.675 -10.154 -11.359 1.00 43.52 C ATOM 0 H LEU A 35 9.413 -9.607 -6.574 1.00 70.22 H new ATOM 0 HA LEU A 35 10.388 -12.014 -7.679 1.00 24.31 H new ATOM 0 HB2 LEU A 35 8.904 -10.290 -8.769 1.00 51.24 H new ATOM 0 HB3 LEU A 35 10.288 -9.221 -8.881 1.00 51.24 H new ATOM 0 HG LEU A 35 11.440 -10.801 -10.353 1.00 44.21 H new ATOM 0 HD11 LEU A 35 10.272 -12.795 -11.209 1.00 2.13 H new ATOM 0 HD12 LEU A 35 10.538 -12.889 -9.452 1.00 2.13 H new ATOM 0 HD13 LEU A 35 8.926 -12.483 -10.087 1.00 2.13 H new ATOM 0 HD21 LEU A 35 9.952 -10.611 -12.309 1.00 43.52 H new ATOM 0 HD22 LEU A 35 8.594 -10.212 -11.230 1.00 43.52 H new ATOM 0 HD23 LEU A 35 9.986 -9.109 -11.355 1.00 43.52 H new ATOM 169 N GLU A 36 12.559 -9.522 -7.506 1.00 74.41 N ATOM 170 CA GLU A 36 13.981 -9.199 -7.512 1.00 74.55 C ATOM 171 C GLU A 36 14.736 -10.026 -6.476 1.00 43.43 C ATOM 172 O GLU A 36 15.806 -10.565 -6.757 1.00 74.01 O ATOM 173 CB GLU A 36 14.186 -7.707 -7.241 1.00 53.12 C ATOM 174 CG GLU A 36 14.442 -6.889 -8.497 1.00 34.43 C ATOM 175 CD GLU A 36 15.848 -6.322 -8.550 1.00 3.31 C ATOM 176 OE1 GLU A 36 16.765 -7.052 -8.981 1.00 61.03 O ATOM 177 OE2 GLU A 36 16.030 -5.149 -8.161 1.00 15.14 O ATOM 0 H GLU A 36 11.947 -8.720 -7.358 1.00 74.41 H new ATOM 0 HA GLU A 36 14.378 -9.441 -8.498 1.00 74.55 H new ATOM 0 HB2 GLU A 36 13.304 -7.314 -6.735 1.00 53.12 H new ATOM 0 HB3 GLU A 36 15.027 -7.582 -6.559 1.00 53.12 H new ATOM 0 HG2 GLU A 36 14.274 -7.515 -9.374 1.00 34.43 H new ATOM 0 HG3 GLU A 36 13.723 -6.071 -8.546 1.00 34.43 H new ATOM 184 N GLY A 37 14.172 -10.118 -5.276 1.00 64.23 N ATOM 185 CA GLY A 37 14.806 -10.879 -4.212 1.00 51.52 C ATOM 186 C GLY A 37 15.203 -12.276 -4.648 1.00 22.43 C ATOM 187 O GLY A 37 16.303 -12.739 -4.344 1.00 51.41 O ATOM 0 H GLY A 37 13.287 -9.680 -5.020 1.00 64.23 H new ATOM 0 HA2 GLY A 37 15.691 -10.345 -3.867 1.00 51.52 H new ATOM 0 HA3 GLY A 37 14.125 -10.947 -3.364 1.00 51.52 H new ATOM 191 N ALA A 38 14.309 -12.947 -5.366 1.00 11.50 N ATOM 192 CA ALA A 38 14.576 -14.297 -5.847 1.00 44.24 C ATOM 193 C ALA A 38 15.683 -14.291 -6.894 1.00 33.42 C ATOM 194 O ALA A 38 16.629 -15.075 -6.818 1.00 62.43 O ATOM 195 CB ALA A 38 13.309 -14.916 -6.417 1.00 63.22 C ATOM 0 H ALA A 38 13.394 -12.579 -5.627 1.00 11.50 H new ATOM 0 HA ALA A 38 14.910 -14.900 -5.003 1.00 44.24 H new ATOM 0 HB1 ALA A 38 13.524 -15.924 -6.772 1.00 63.22 H new ATOM 0 HB2 ALA A 38 12.545 -14.960 -5.641 1.00 63.22 H new ATOM 0 HB3 ALA A 38 12.949 -14.308 -7.247 1.00 63.22 H new ATOM 201 N GLY A 39 15.559 -13.397 -7.871 1.00 32.35 N ATOM 202 CA GLY A 39 16.551 -13.298 -8.923 1.00 73.43 C ATOM 203 C GLY A 39 17.957 -13.119 -8.385 1.00 64.11 C ATOM 204 O GLY A 39 18.918 -13.617 -8.972 1.00 31.14 O ATOM 0 H GLY A 39 14.785 -12.737 -7.951 1.00 32.35 H new ATOM 0 HA2 GLY A 39 16.513 -14.197 -9.538 1.00 73.43 H new ATOM 0 HA3 GLY A 39 16.305 -12.457 -9.572 1.00 73.43 H new ATOM 208 N LYS A 40 18.082 -12.412 -7.265 1.00 23.44 N ATOM 209 CA LYS A 40 19.390 -12.182 -6.658 1.00 71.03 C ATOM 210 C LYS A 40 20.050 -13.506 -6.298 1.00 0.42 C ATOM 211 O LYS A 40 21.257 -13.663 -6.442 1.00 55.45 O ATOM 212 CB LYS A 40 19.272 -11.306 -5.408 1.00 32.42 C ATOM 213 CG LYS A 40 18.222 -10.210 -5.517 1.00 21.15 C ATOM 214 CD LYS A 40 18.689 -8.924 -4.854 1.00 52.00 C ATOM 215 CE LYS A 40 17.568 -7.900 -4.772 1.00 22.35 C ATOM 216 NZ LYS A 40 17.645 -6.902 -5.874 1.00 4.30 N ATOM 0 H LYS A 40 17.300 -11.991 -6.763 1.00 23.44 H new ATOM 0 HA LYS A 40 20.008 -11.660 -7.389 1.00 71.03 H new ATOM 0 HB2 LYS A 40 19.033 -11.940 -4.554 1.00 32.42 H new ATOM 0 HB3 LYS A 40 20.240 -10.848 -5.205 1.00 32.42 H new ATOM 0 HG2 LYS A 40 18.001 -10.020 -6.567 1.00 21.15 H new ATOM 0 HG3 LYS A 40 17.295 -10.545 -5.051 1.00 21.15 H new ATOM 0 HD2 LYS A 40 19.057 -9.143 -3.852 1.00 52.00 H new ATOM 0 HD3 LYS A 40 19.524 -8.506 -5.416 1.00 52.00 H new ATOM 0 HE2 LYS A 40 16.606 -8.411 -4.812 1.00 22.35 H new ATOM 0 HE3 LYS A 40 17.616 -7.385 -3.812 1.00 22.35 H new ATOM 0 HZ1 LYS A 40 16.854 -6.232 -5.792 1.00 4.30 H new ATOM 0 HZ2 LYS A 40 18.545 -6.384 -5.811 1.00 4.30 H new ATOM 0 HZ3 LYS A 40 17.590 -7.391 -6.790 1.00 4.30 H new ATOM 230 N ARG A 41 19.244 -14.457 -5.836 1.00 23.43 N ATOM 231 CA ARG A 41 19.748 -15.775 -5.470 1.00 53.32 C ATOM 232 C ARG A 41 19.896 -16.646 -6.712 1.00 73.43 C ATOM 233 O ARG A 41 20.950 -17.234 -6.957 1.00 22.53 O ATOM 234 CB ARG A 41 18.800 -16.448 -4.470 1.00 4.44 C ATOM 235 CG ARG A 41 19.127 -17.911 -4.202 1.00 12.53 C ATOM 236 CD ARG A 41 18.501 -18.827 -5.246 1.00 15.44 C ATOM 237 NE ARG A 41 18.284 -20.177 -4.729 1.00 44.34 N ATOM 238 CZ ARG A 41 18.124 -21.250 -5.501 1.00 74.53 C ATOM 239 NH1 ARG A 41 18.154 -21.137 -6.823 1.00 62.33 N ATOM 240 NH2 ARG A 41 17.933 -22.440 -4.948 1.00 22.12 N ATOM 0 H ARG A 41 18.239 -14.339 -5.706 1.00 23.43 H new ATOM 0 HA ARG A 41 20.726 -15.655 -5.003 1.00 53.32 H new ATOM 0 HB2 ARG A 41 18.832 -15.900 -3.528 1.00 4.44 H new ATOM 0 HB3 ARG A 41 17.780 -16.377 -4.846 1.00 4.44 H new ATOM 0 HG2 ARG A 41 20.208 -18.048 -4.199 1.00 12.53 H new ATOM 0 HG3 ARG A 41 18.768 -18.189 -3.211 1.00 12.53 H new ATOM 0 HD2 ARG A 41 17.550 -18.407 -5.574 1.00 15.44 H new ATOM 0 HD3 ARG A 41 19.148 -18.874 -6.122 1.00 15.44 H new ATOM 0 HE ARG A 41 18.253 -20.305 -3.717 1.00 44.34 H new ATOM 0 HH11 ARG A 41 18.300 -20.224 -7.254 1.00 62.33 H new ATOM 0 HH12 ARG A 41 18.031 -21.963 -7.408 1.00 62.33 H new ATOM 0 HH21 ARG A 41 17.909 -22.532 -3.932 1.00 22.12 H new ATOM 0 HH22 ARG A 41 17.810 -23.263 -5.538 1.00 22.12 H new ATOM 254 N VAL A 42 18.818 -16.728 -7.482 1.00 61.44 N ATOM 255 CA VAL A 42 18.789 -17.528 -8.700 1.00 2.43 C ATOM 256 C VAL A 42 19.905 -17.137 -9.658 1.00 64.20 C ATOM 257 O VAL A 42 20.338 -17.943 -10.481 1.00 50.14 O ATOM 258 CB VAL A 42 17.441 -17.376 -9.421 1.00 63.53 C ATOM 259 CG1 VAL A 42 17.332 -18.362 -10.574 1.00 22.43 C ATOM 260 CG2 VAL A 42 16.299 -17.555 -8.438 1.00 34.32 C ATOM 0 H VAL A 42 17.943 -16.244 -7.281 1.00 61.44 H new ATOM 0 HA VAL A 42 18.932 -18.566 -8.398 1.00 2.43 H new ATOM 0 HB VAL A 42 17.379 -16.371 -9.838 1.00 63.53 H new ATOM 0 HG11 VAL A 42 16.370 -18.237 -11.070 1.00 22.43 H new ATOM 0 HG12 VAL A 42 18.135 -18.178 -11.288 1.00 22.43 H new ATOM 0 HG13 VAL A 42 17.413 -19.379 -10.192 1.00 22.43 H new ATOM 0 HG21 VAL A 42 15.349 -17.445 -8.960 1.00 34.32 H new ATOM 0 HG22 VAL A 42 16.355 -18.548 -7.992 1.00 34.32 H new ATOM 0 HG23 VAL A 42 16.372 -16.801 -7.655 1.00 34.32 H new ATOM 270 N PHE A 43 20.369 -15.898 -9.549 1.00 51.13 N ATOM 271 CA PHE A 43 21.436 -15.407 -10.409 1.00 70.02 C ATOM 272 C PHE A 43 22.601 -16.399 -10.448 1.00 74.44 C ATOM 273 O PHE A 43 23.341 -16.461 -11.428 1.00 3.10 O ATOM 274 CB PHE A 43 21.906 -14.028 -9.931 1.00 21.14 C ATOM 275 CG PHE A 43 23.043 -14.067 -8.951 1.00 33.33 C ATOM 276 CD1 PHE A 43 22.987 -14.882 -7.833 1.00 21.41 C ATOM 277 CD2 PHE A 43 24.165 -13.286 -9.150 1.00 71.41 C ATOM 278 CE1 PHE A 43 24.031 -14.916 -6.929 1.00 74.45 C ATOM 279 CE2 PHE A 43 25.215 -13.314 -8.252 1.00 71.44 C ATOM 280 CZ PHE A 43 25.147 -14.130 -7.140 1.00 3.12 C ATOM 0 H PHE A 43 20.023 -15.216 -8.874 1.00 51.13 H new ATOM 0 HA PHE A 43 21.049 -15.308 -11.423 1.00 70.02 H new ATOM 0 HB2 PHE A 43 22.209 -13.440 -10.797 1.00 21.14 H new ATOM 0 HB3 PHE A 43 21.064 -13.509 -9.472 1.00 21.14 H new ATOM 0 HD1 PHE A 43 22.116 -15.499 -7.666 1.00 21.41 H new ATOM 0 HD2 PHE A 43 24.222 -12.646 -10.018 1.00 71.41 H new ATOM 0 HE1 PHE A 43 23.975 -15.555 -6.060 1.00 74.45 H new ATOM 0 HE2 PHE A 43 26.087 -12.699 -8.419 1.00 71.44 H new ATOM 0 HZ PHE A 43 25.966 -14.154 -6.436 1.00 3.12 H new ATOM 290 N LYS A 44 22.745 -17.179 -9.377 1.00 33.12 N ATOM 291 CA LYS A 44 23.803 -18.174 -9.289 1.00 51.13 C ATOM 292 C LYS A 44 23.391 -19.443 -10.025 1.00 52.12 C ATOM 293 O LYS A 44 24.215 -20.115 -10.643 1.00 33.21 O ATOM 294 CB LYS A 44 24.120 -18.490 -7.825 1.00 3.31 C ATOM 295 CG LYS A 44 25.595 -18.360 -7.483 1.00 51.43 C ATOM 296 CD LYS A 44 25.843 -18.564 -5.997 1.00 31.02 C ATOM 297 CE LYS A 44 27.293 -18.289 -5.633 1.00 14.33 C ATOM 298 NZ LYS A 44 27.442 -17.883 -4.208 1.00 53.31 N ATOM 0 H LYS A 44 22.138 -17.137 -8.558 1.00 33.12 H new ATOM 0 HA LYS A 44 24.701 -17.770 -9.758 1.00 51.13 H new ATOM 0 HB2 LYS A 44 23.546 -17.820 -7.184 1.00 3.31 H new ATOM 0 HB3 LYS A 44 23.791 -19.505 -7.601 1.00 3.31 H new ATOM 0 HG2 LYS A 44 26.167 -19.092 -8.052 1.00 51.43 H new ATOM 0 HG3 LYS A 44 25.953 -17.374 -7.781 1.00 51.43 H new ATOM 0 HD2 LYS A 44 25.191 -17.904 -5.424 1.00 31.02 H new ATOM 0 HD3 LYS A 44 25.585 -19.586 -5.721 1.00 31.02 H new ATOM 0 HE2 LYS A 44 27.890 -19.182 -5.820 1.00 14.33 H new ATOM 0 HE3 LYS A 44 27.686 -17.502 -6.277 1.00 14.33 H new ATOM 0 HZ1 LYS A 44 28.445 -17.705 -4.001 1.00 53.31 H new ATOM 0 HZ2 LYS A 44 26.894 -17.016 -4.035 1.00 53.31 H new ATOM 0 HZ3 LYS A 44 27.091 -18.644 -3.592 1.00 53.31 H new ATOM 312 N ALA A 45 22.100 -19.755 -9.960 1.00 72.42 N ATOM 313 CA ALA A 45 21.565 -20.930 -10.628 1.00 4.12 C ATOM 314 C ALA A 45 21.738 -20.802 -12.135 1.00 71.53 C ATOM 315 O ALA A 45 22.044 -21.775 -12.825 1.00 52.44 O ATOM 316 CB ALA A 45 20.097 -21.118 -10.270 1.00 35.21 C ATOM 0 H ALA A 45 21.407 -19.208 -9.450 1.00 72.42 H new ATOM 0 HA ALA A 45 22.116 -21.808 -10.291 1.00 4.12 H new ATOM 0 HB1 ALA A 45 19.709 -22.001 -10.777 1.00 35.21 H new ATOM 0 HB2 ALA A 45 19.999 -21.246 -9.192 1.00 35.21 H new ATOM 0 HB3 ALA A 45 19.531 -20.241 -10.584 1.00 35.21 H new ATOM 322 N SER A 46 21.551 -19.584 -12.636 1.00 2.22 N ATOM 323 CA SER A 46 21.698 -19.310 -14.059 1.00 65.42 C ATOM 324 C SER A 46 23.158 -19.032 -14.397 1.00 61.41 C ATOM 325 O SER A 46 23.638 -19.393 -15.473 1.00 52.32 O ATOM 326 CB SER A 46 20.832 -18.117 -14.465 1.00 61.22 C ATOM 327 OG SER A 46 20.317 -18.282 -15.775 1.00 51.31 O ATOM 0 H SER A 46 21.297 -18.771 -12.075 1.00 2.22 H new ATOM 0 HA SER A 46 21.368 -20.188 -14.614 1.00 65.42 H new ATOM 0 HB2 SER A 46 20.009 -18.004 -13.759 1.00 61.22 H new ATOM 0 HB3 SER A 46 21.422 -17.202 -14.416 1.00 61.22 H new ATOM 0 HG SER A 46 19.766 -17.507 -16.010 1.00 51.31 H new ATOM 333 N GLU A 47 23.863 -18.392 -13.467 1.00 24.31 N ATOM 334 CA GLU A 47 25.273 -18.071 -13.662 1.00 23.14 C ATOM 335 C GLU A 47 26.078 -19.338 -13.925 1.00 51.54 C ATOM 336 O GLU A 47 26.996 -19.346 -14.745 1.00 73.31 O ATOM 337 CB GLU A 47 25.833 -17.348 -12.435 1.00 42.22 C ATOM 338 CG GLU A 47 25.912 -15.840 -12.601 1.00 0.31 C ATOM 339 CD GLU A 47 27.315 -15.363 -12.923 1.00 73.20 C ATOM 340 OE1 GLU A 47 28.172 -15.383 -12.014 1.00 24.00 O ATOM 341 OE2 GLU A 47 27.557 -14.969 -14.083 1.00 72.53 O ATOM 0 H GLU A 47 23.481 -18.086 -12.572 1.00 24.31 H new ATOM 0 HA GLU A 47 25.355 -17.414 -14.528 1.00 23.14 H new ATOM 0 HB2 GLU A 47 25.208 -17.578 -11.572 1.00 42.22 H new ATOM 0 HB3 GLU A 47 26.829 -17.734 -12.219 1.00 42.22 H new ATOM 0 HG2 GLU A 47 25.235 -15.530 -13.397 1.00 0.31 H new ATOM 0 HG3 GLU A 47 25.570 -15.359 -11.685 1.00 0.31 H new ATOM 348 N LYS A 48 25.723 -20.408 -13.221 1.00 44.14 N ATOM 349 CA LYS A 48 26.409 -21.685 -13.373 1.00 34.21 C ATOM 350 C LYS A 48 26.166 -22.278 -14.757 1.00 33.40 C ATOM 351 O LYS A 48 27.008 -23.000 -15.289 1.00 12.41 O ATOM 352 CB LYS A 48 25.944 -22.667 -12.297 1.00 55.32 C ATOM 353 CG LYS A 48 26.497 -22.361 -10.914 1.00 23.10 C ATOM 354 CD LYS A 48 26.373 -23.559 -9.986 1.00 61.22 C ATOM 355 CE LYS A 48 24.922 -23.842 -9.633 1.00 71.42 C ATOM 356 NZ LYS A 48 24.779 -24.357 -8.244 1.00 0.01 N ATOM 0 H LYS A 48 24.964 -20.416 -12.540 1.00 44.14 H new ATOM 0 HA LYS A 48 27.478 -21.508 -13.259 1.00 34.21 H new ATOM 0 HB2 LYS A 48 24.855 -22.657 -12.254 1.00 55.32 H new ATOM 0 HB3 LYS A 48 26.243 -23.675 -12.584 1.00 55.32 H new ATOM 0 HG2 LYS A 48 27.544 -22.070 -10.996 1.00 23.10 H new ATOM 0 HG3 LYS A 48 25.963 -21.512 -10.487 1.00 23.10 H new ATOM 0 HD2 LYS A 48 26.810 -24.436 -10.462 1.00 61.22 H new ATOM 0 HD3 LYS A 48 26.941 -23.375 -9.074 1.00 61.22 H new ATOM 0 HE2 LYS A 48 24.337 -22.929 -9.744 1.00 71.42 H new ATOM 0 HE3 LYS A 48 24.513 -24.570 -10.334 1.00 71.42 H new ATOM 0 HZ1 LYS A 48 23.775 -24.538 -8.042 1.00 0.01 H new ATOM 0 HZ2 LYS A 48 25.317 -25.242 -8.145 1.00 0.01 H new ATOM 0 HZ3 LYS A 48 25.146 -23.652 -7.573 1.00 0.01 H new ATOM 370 N ALA A 49 25.010 -21.968 -15.338 1.00 63.32 N ATOM 371 CA ALA A 49 24.666 -22.475 -16.662 1.00 14.12 C ATOM 372 C ALA A 49 24.790 -21.402 -17.730 1.00 42.02 C ATOM 373 O ALA A 49 24.347 -21.606 -18.855 1.00 2.12 O ATOM 374 CB ALA A 49 23.262 -23.046 -16.671 1.00 44.44 C ATOM 0 H ALA A 49 24.299 -21.371 -14.915 1.00 63.32 H new ATOM 0 HA ALA A 49 25.378 -23.267 -16.894 1.00 14.12 H new ATOM 0 HB1 ALA A 49 23.027 -23.418 -17.668 1.00 44.44 H new ATOM 0 HB2 ALA A 49 23.197 -23.864 -15.954 1.00 44.44 H new ATOM 0 HB3 ALA A 49 22.551 -22.267 -16.397 1.00 44.44 H new ATOM 380 N LEU A 50 25.405 -20.266 -17.402 1.00 35.11 N ATOM 381 CA LEU A 50 25.572 -19.213 -18.397 1.00 73.11 C ATOM 382 C LEU A 50 26.311 -19.759 -19.607 1.00 11.30 C ATOM 383 O LEU A 50 25.920 -19.530 -20.744 1.00 3.12 O ATOM 384 CB LEU A 50 26.294 -17.991 -17.822 1.00 44.54 C ATOM 385 CG LEU A 50 26.614 -16.883 -18.824 1.00 53.40 C ATOM 386 CD1 LEU A 50 26.342 -15.516 -18.214 1.00 42.14 C ATOM 387 CD2 LEU A 50 28.062 -16.982 -19.283 1.00 70.24 C ATOM 0 H LEU A 50 25.786 -20.056 -16.480 1.00 35.11 H new ATOM 0 HA LEU A 50 24.581 -18.880 -18.704 1.00 73.11 H new ATOM 0 HB2 LEU A 50 25.681 -17.570 -17.025 1.00 44.54 H new ATOM 0 HB3 LEU A 50 27.226 -18.323 -17.365 1.00 44.54 H new ATOM 0 HG LEU A 50 25.967 -17.007 -19.692 1.00 53.40 H new ATOM 0 HD11 LEU A 50 26.576 -14.740 -18.942 1.00 42.14 H new ATOM 0 HD12 LEU A 50 25.291 -15.446 -17.933 1.00 42.14 H new ATOM 0 HD13 LEU A 50 26.964 -15.382 -17.329 1.00 42.14 H new ATOM 0 HD21 LEU A 50 28.273 -16.185 -19.996 1.00 70.24 H new ATOM 0 HD22 LEU A 50 28.724 -16.883 -18.423 1.00 70.24 H new ATOM 0 HD23 LEU A 50 28.227 -17.948 -19.759 1.00 70.24 H new ATOM 399 N PRO A 51 27.352 -20.551 -19.362 1.00 32.52 N ATOM 400 CA PRO A 51 28.115 -21.202 -20.419 1.00 1.44 C ATOM 401 C PRO A 51 27.235 -22.214 -21.143 1.00 22.12 C ATOM 402 O PRO A 51 27.457 -22.542 -22.310 1.00 44.24 O ATOM 403 CB PRO A 51 29.256 -21.920 -19.681 1.00 73.22 C ATOM 404 CG PRO A 51 29.184 -21.472 -18.255 1.00 24.42 C ATOM 405 CD PRO A 51 27.803 -20.923 -18.031 1.00 64.03 C ATOM 0 HA PRO A 51 28.483 -20.500 -21.168 1.00 1.44 H new ATOM 0 HB2 PRO A 51 29.146 -23.002 -19.754 1.00 73.22 H new ATOM 0 HB3 PRO A 51 30.222 -21.668 -20.119 1.00 73.22 H new ATOM 0 HG2 PRO A 51 29.381 -22.305 -17.580 1.00 24.42 H new ATOM 0 HG3 PRO A 51 29.938 -20.711 -18.052 1.00 24.42 H new ATOM 0 HD2 PRO A 51 27.146 -21.667 -17.580 1.00 64.03 H new ATOM 0 HD3 PRO A 51 27.819 -20.064 -17.360 1.00 64.03 H new ATOM 413 N VAL A 52 26.226 -22.696 -20.421 1.00 44.12 N ATOM 414 CA VAL A 52 25.275 -23.667 -20.941 1.00 55.31 C ATOM 415 C VAL A 52 24.038 -22.980 -21.506 1.00 34.54 C ATOM 416 O VAL A 52 23.254 -23.596 -22.222 1.00 54.41 O ATOM 417 CB VAL A 52 24.863 -24.660 -19.835 1.00 31.31 C ATOM 418 CG1 VAL A 52 23.724 -25.556 -20.288 1.00 22.13 C ATOM 419 CG2 VAL A 52 26.057 -25.491 -19.393 1.00 53.42 C ATOM 0 H VAL A 52 26.047 -22.421 -19.455 1.00 44.12 H new ATOM 0 HA VAL A 52 25.764 -24.212 -21.749 1.00 55.31 H new ATOM 0 HB VAL A 52 24.508 -24.080 -18.983 1.00 31.31 H new ATOM 0 HG11 VAL A 52 23.460 -26.243 -19.484 1.00 22.13 H new ATOM 0 HG12 VAL A 52 22.858 -24.944 -20.542 1.00 22.13 H new ATOM 0 HG13 VAL A 52 24.035 -26.125 -21.164 1.00 22.13 H new ATOM 0 HG21 VAL A 52 25.748 -26.186 -18.612 1.00 53.42 H new ATOM 0 HG22 VAL A 52 26.446 -26.051 -20.244 1.00 53.42 H new ATOM 0 HG23 VAL A 52 26.835 -24.833 -19.006 1.00 53.42 H new ATOM 429 N VAL A 53 23.886 -21.699 -21.194 1.00 43.44 N ATOM 430 CA VAL A 53 22.771 -20.909 -21.687 1.00 73.44 C ATOM 431 C VAL A 53 23.254 -20.041 -22.839 1.00 54.41 C ATOM 432 O VAL A 53 22.500 -19.711 -23.755 1.00 30.24 O ATOM 433 CB VAL A 53 22.180 -20.014 -20.576 1.00 11.34 C ATOM 434 CG1 VAL A 53 21.007 -19.199 -21.103 1.00 14.01 C ATOM 435 CG2 VAL A 53 21.762 -20.857 -19.378 1.00 33.32 C ATOM 0 H VAL A 53 24.530 -21.183 -20.595 1.00 43.44 H new ATOM 0 HA VAL A 53 21.986 -21.586 -22.024 1.00 73.44 H new ATOM 0 HB VAL A 53 22.952 -19.317 -20.250 1.00 11.34 H new ATOM 0 HG11 VAL A 53 20.608 -18.577 -20.302 1.00 14.01 H new ATOM 0 HG12 VAL A 53 21.344 -18.564 -21.922 1.00 14.01 H new ATOM 0 HG13 VAL A 53 20.228 -19.872 -21.462 1.00 14.01 H new ATOM 0 HG21 VAL A 53 21.348 -20.210 -18.605 1.00 33.32 H new ATOM 0 HG22 VAL A 53 21.008 -21.581 -19.688 1.00 33.32 H new ATOM 0 HG23 VAL A 53 22.631 -21.384 -18.983 1.00 33.32 H new ATOM 445 N VAL A 54 24.536 -19.694 -22.783 1.00 22.12 N ATOM 446 CA VAL A 54 25.168 -18.887 -23.808 1.00 61.30 C ATOM 447 C VAL A 54 25.578 -19.750 -24.980 1.00 73.34 C ATOM 448 O VAL A 54 25.401 -19.370 -26.129 1.00 31.40 O ATOM 449 CB VAL A 54 26.416 -18.158 -23.270 1.00 4.43 C ATOM 450 CG1 VAL A 54 26.078 -17.334 -22.033 1.00 34.23 C ATOM 451 CG2 VAL A 54 27.533 -19.148 -22.961 1.00 73.12 C ATOM 0 H VAL A 54 25.161 -19.967 -22.024 1.00 22.12 H new ATOM 0 HA VAL A 54 24.437 -18.144 -24.127 1.00 61.30 H new ATOM 0 HB VAL A 54 26.764 -17.478 -24.048 1.00 4.43 H new ATOM 0 HG11 VAL A 54 26.976 -16.831 -21.675 1.00 34.23 H new ATOM 0 HG12 VAL A 54 25.322 -16.591 -22.286 1.00 34.23 H new ATOM 0 HG13 VAL A 54 25.694 -17.991 -21.252 1.00 34.23 H new ATOM 0 HG21 VAL A 54 28.402 -18.610 -22.583 1.00 73.12 H new ATOM 0 HG22 VAL A 54 27.191 -19.859 -22.209 1.00 73.12 H new ATOM 0 HG23 VAL A 54 27.805 -19.684 -23.870 1.00 73.12 H new ATOM 461 N GLY A 55 26.124 -20.917 -24.677 1.00 24.35 N ATOM 462 CA GLY A 55 26.550 -21.825 -25.721 1.00 25.54 C ATOM 463 C GLY A 55 25.515 -21.957 -26.811 1.00 33.10 C ATOM 464 O GLY A 55 25.848 -22.188 -27.967 1.00 51.32 O ATOM 0 H GLY A 55 26.280 -21.252 -23.726 1.00 24.35 H new ATOM 0 HA2 GLY A 55 27.486 -21.470 -26.151 1.00 25.54 H new ATOM 0 HA3 GLY A 55 26.749 -22.806 -25.290 1.00 25.54 H new ATOM 468 N ILE A 56 24.252 -21.788 -26.444 1.00 41.02 N ATOM 469 CA ILE A 56 23.168 -21.869 -27.419 1.00 43.12 C ATOM 470 C ILE A 56 22.986 -20.521 -28.092 1.00 34.42 C ATOM 471 O ILE A 56 22.770 -20.437 -29.302 1.00 53.52 O ATOM 472 CB ILE A 56 21.831 -22.297 -26.781 1.00 14.50 C ATOM 473 CG1 ILE A 56 22.070 -23.234 -25.600 1.00 62.21 C ATOM 474 CG2 ILE A 56 20.935 -22.959 -27.818 1.00 40.45 C ATOM 475 CD1 ILE A 56 22.032 -22.522 -24.270 1.00 52.33 C ATOM 0 H ILE A 56 23.952 -21.596 -25.488 1.00 41.02 H new ATOM 0 HA ILE A 56 23.447 -22.630 -28.148 1.00 43.12 H new ATOM 0 HB ILE A 56 21.328 -21.405 -26.409 1.00 14.50 H new ATOM 0 HG12 ILE A 56 21.315 -24.020 -25.608 1.00 62.21 H new ATOM 0 HG13 ILE A 56 23.038 -23.721 -25.719 1.00 62.21 H new ATOM 0 HG21 ILE A 56 19.996 -23.255 -27.351 1.00 40.45 H new ATOM 0 HG22 ILE A 56 20.733 -22.256 -28.626 1.00 40.45 H new ATOM 0 HG23 ILE A 56 21.434 -23.841 -28.220 1.00 40.45 H new ATOM 0 HD11 ILE A 56 22.208 -23.239 -23.468 1.00 52.33 H new ATOM 0 HD12 ILE A 56 22.805 -21.754 -24.246 1.00 52.33 H new ATOM 0 HD13 ILE A 56 21.055 -22.058 -24.133 1.00 52.33 H new ATOM 487 N LYS A 57 23.101 -19.464 -27.301 1.00 42.01 N ATOM 488 CA LYS A 57 22.981 -18.112 -27.820 1.00 44.35 C ATOM 489 C LYS A 57 24.261 -17.732 -28.560 1.00 22.01 C ATOM 490 O LYS A 57 24.271 -16.825 -29.391 1.00 13.30 O ATOM 491 CB LYS A 57 22.711 -17.123 -26.685 1.00 63.12 C ATOM 492 CG LYS A 57 21.251 -16.719 -26.565 1.00 2.43 C ATOM 493 CD LYS A 57 21.106 -15.307 -26.018 1.00 0.41 C ATOM 494 CE LYS A 57 21.230 -15.282 -24.503 1.00 14.44 C ATOM 495 NZ LYS A 57 19.899 -15.244 -23.837 1.00 33.04 N ATOM 0 H LYS A 57 23.277 -19.518 -26.298 1.00 42.01 H new ATOM 0 HA LYS A 57 22.141 -18.073 -28.513 1.00 44.35 H new ATOM 0 HB2 LYS A 57 23.035 -17.566 -25.743 1.00 63.12 H new ATOM 0 HB3 LYS A 57 23.315 -16.229 -26.842 1.00 63.12 H new ATOM 0 HG2 LYS A 57 20.773 -16.782 -27.543 1.00 2.43 H new ATOM 0 HG3 LYS A 57 20.731 -17.419 -25.911 1.00 2.43 H new ATOM 0 HD2 LYS A 57 21.870 -14.665 -26.457 1.00 0.41 H new ATOM 0 HD3 LYS A 57 20.139 -14.899 -26.312 1.00 0.41 H new ATOM 0 HE2 LYS A 57 21.778 -16.163 -24.169 1.00 14.44 H new ATOM 0 HE3 LYS A 57 21.812 -14.411 -24.201 1.00 14.44 H new ATOM 0 HZ1 LYS A 57 20.027 -15.228 -22.805 1.00 33.04 H new ATOM 0 HZ2 LYS A 57 19.386 -14.390 -24.135 1.00 33.04 H new ATOM 0 HZ3 LYS A 57 19.353 -16.088 -24.105 1.00 33.04 H new ATOM 509 N ALA A 58 25.345 -18.434 -28.249 1.00 61.41 N ATOM 510 CA ALA A 58 26.627 -18.172 -28.882 1.00 71.10 C ATOM 511 C ALA A 58 26.777 -18.964 -30.179 1.00 24.40 C ATOM 512 O ALA A 58 27.586 -18.614 -31.039 1.00 21.44 O ATOM 513 CB ALA A 58 27.760 -18.488 -27.917 1.00 72.10 C ATOM 0 H ALA A 58 25.359 -19.188 -27.562 1.00 61.41 H new ATOM 0 HA ALA A 58 26.673 -17.114 -29.139 1.00 71.10 H new ATOM 0 HB1 ALA A 58 28.716 -18.288 -28.401 1.00 72.10 H new ATOM 0 HB2 ALA A 58 27.666 -17.864 -27.028 1.00 72.10 H new ATOM 0 HB3 ALA A 58 27.711 -19.538 -27.630 1.00 72.10 H new ATOM 519 N ILE A 59 26.006 -20.039 -30.308 1.00 21.44 N ATOM 520 CA ILE A 59 26.067 -20.889 -31.492 1.00 52.00 C ATOM 521 C ILE A 59 25.079 -20.457 -32.558 1.00 61.43 C ATOM 522 O ILE A 59 25.424 -20.339 -33.734 1.00 73.35 O ATOM 523 CB ILE A 59 25.800 -22.359 -31.129 1.00 64.31 C ATOM 524 CG1 ILE A 59 24.428 -22.517 -30.470 1.00 25.41 C ATOM 525 CG2 ILE A 59 26.895 -22.861 -30.215 1.00 22.33 C ATOM 526 CD1 ILE A 59 24.116 -23.935 -30.052 1.00 31.12 C ATOM 0 H ILE A 59 25.331 -20.343 -29.606 1.00 21.44 H new ATOM 0 HA ILE A 59 27.075 -20.786 -31.893 1.00 52.00 H new ATOM 0 HB ILE A 59 25.799 -22.954 -32.042 1.00 64.31 H new ATOM 0 HG12 ILE A 59 24.378 -21.870 -29.594 1.00 25.41 H new ATOM 0 HG13 ILE A 59 23.660 -22.174 -31.163 1.00 25.41 H new ATOM 0 HG21 ILE A 59 26.705 -23.903 -29.958 1.00 22.33 H new ATOM 0 HG22 ILE A 59 27.857 -22.782 -30.722 1.00 22.33 H new ATOM 0 HG23 ILE A 59 26.913 -22.261 -29.305 1.00 22.33 H new ATOM 0 HD11 ILE A 59 23.128 -23.970 -29.593 1.00 31.12 H new ATOM 0 HD12 ILE A 59 24.132 -24.584 -30.927 1.00 31.12 H new ATOM 0 HD13 ILE A 59 24.862 -24.275 -29.334 1.00 31.12 H new ATOM 538 N GLY A 60 23.855 -20.217 -32.137 1.00 15.14 N ATOM 539 CA GLY A 60 22.824 -19.793 -33.053 1.00 72.12 C ATOM 540 C GLY A 60 22.053 -18.621 -32.503 1.00 53.32 C ATOM 541 O GLY A 60 21.082 -18.163 -33.105 1.00 13.23 O ATOM 0 H GLY A 60 23.553 -20.309 -31.167 1.00 15.14 H new ATOM 0 HA2 GLY A 60 23.273 -19.520 -34.008 1.00 72.12 H new ATOM 0 HA3 GLY A 60 22.142 -20.621 -33.246 1.00 72.12 H new ATOM 545 N LYS A 61 22.489 -18.132 -31.345 1.00 11.32 N ATOM 546 CA LYS A 61 21.822 -16.996 -30.711 1.00 51.54 C ATOM 547 C LYS A 61 20.387 -17.350 -30.336 1.00 44.42 C ATOM 548 O LYS A 61 19.944 -18.467 -30.680 1.00 22.01 O ATOM 549 CB LYS A 61 21.835 -15.784 -31.648 1.00 72.43 C ATOM 550 CG LYS A 61 22.757 -14.666 -31.187 1.00 51.33 C ATOM 551 CD LYS A 61 21.979 -13.528 -30.548 1.00 31.05 C ATOM 552 CE LYS A 61 22.900 -12.571 -29.810 1.00 22.11 C ATOM 553 NZ LYS A 61 23.296 -11.414 -30.660 1.00 42.50 N ATOM 554 OXT LYS A 61 19.716 -16.508 -29.702 1.00 40.55 O ATOM 0 H LYS A 61 23.291 -18.498 -30.831 1.00 11.32 H new ATOM 0 HA LYS A 61 22.365 -16.747 -29.799 1.00 51.54 H new ATOM 0 HB2 LYS A 61 22.140 -16.108 -32.643 1.00 72.43 H new ATOM 0 HB3 LYS A 61 20.821 -15.394 -31.737 1.00 72.43 H new ATOM 0 HG2 LYS A 61 23.479 -15.060 -30.472 1.00 51.33 H new ATOM 0 HG3 LYS A 61 23.324 -14.287 -32.037 1.00 51.33 H new ATOM 0 HD2 LYS A 61 21.429 -12.985 -31.316 1.00 31.05 H new ATOM 0 HD3 LYS A 61 21.242 -13.934 -29.855 1.00 31.05 H new ATOM 0 HE2 LYS A 61 22.401 -12.207 -28.912 1.00 22.11 H new ATOM 0 HE3 LYS A 61 23.793 -13.105 -29.485 1.00 22.11 H new ATOM 0 HZ1 LYS A 61 23.924 -10.785 -30.120 1.00 42.50 H new ATOM 0 HZ2 LYS A 61 23.795 -11.759 -31.505 1.00 42.50 H new ATOM 0 HZ3 LYS A 61 22.446 -10.889 -30.950 1.00 42.50 H new