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+ 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+ -173:sc= 0.0917 (180deg=0.0751) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 1.447 0.788 -0.514 1.00 13.00 N ATOM 2 CA GLY A 26 2.626 0.701 -1.421 1.00 45.03 C ATOM 3 C GLY A 26 3.081 -0.727 -1.645 1.00 42.53 C ATOM 4 O GLY A 26 4.103 -1.151 -1.108 1.00 44.12 O ATOM 0 HA2 GLY A 26 2.377 1.154 -2.380 1.00 45.03 H new ATOM 0 HA3 GLY A 26 3.448 1.279 -0.999 1.00 45.03 H new ATOM 10 N GLY A 27 2.319 -1.470 -2.441 1.00 42.31 N ATOM 11 CA GLY A 27 2.666 -2.851 -2.721 1.00 25.44 C ATOM 12 C GLY A 27 3.837 -2.977 -3.677 1.00 32.23 C ATOM 13 O GLY A 27 4.508 -4.008 -3.711 1.00 62.32 O ATOM 0 H GLY A 27 1.468 -1.141 -2.897 1.00 42.31 H new ATOM 0 HA2 GLY A 27 2.909 -3.357 -1.787 1.00 25.44 H new ATOM 0 HA3 GLY A 27 1.800 -3.361 -3.144 1.00 25.44 H new ATOM 17 N LEU A 28 4.085 -1.926 -4.457 1.00 30.42 N ATOM 18 CA LEU A 28 5.187 -1.926 -5.418 1.00 33.32 C ATOM 19 C LEU A 28 6.469 -2.436 -4.772 1.00 0.13 C ATOM 20 O LEU A 28 7.026 -3.452 -5.186 1.00 15.23 O ATOM 21 CB LEU A 28 5.409 -0.517 -5.975 1.00 4.14 C ATOM 22 CG LEU A 28 6.519 -0.387 -7.025 1.00 45.31 C ATOM 23 CD1 LEU A 28 7.838 -0.012 -6.365 1.00 23.22 C ATOM 24 CD2 LEU A 28 6.667 -1.677 -7.824 1.00 23.14 C ATOM 0 H LEU A 28 3.539 -1.065 -4.443 1.00 30.42 H new ATOM 0 HA LEU A 28 4.921 -2.594 -6.237 1.00 33.32 H new ATOM 0 HB2 LEU A 28 4.475 -0.168 -6.415 1.00 4.14 H new ATOM 0 HB3 LEU A 28 5.639 0.151 -5.145 1.00 4.14 H new ATOM 0 HG LEU A 28 6.240 0.409 -7.716 1.00 45.31 H new ATOM 0 HD11 LEU A 28 8.614 0.076 -7.126 1.00 23.22 H new ATOM 0 HD12 LEU A 28 7.728 0.941 -5.848 1.00 23.22 H new ATOM 0 HD13 LEU A 28 8.119 -0.784 -5.648 1.00 23.22 H new ATOM 0 HD21 LEU A 28 7.460 -1.559 -8.562 1.00 23.14 H new ATOM 0 HD22 LEU A 28 6.918 -2.496 -7.150 1.00 23.14 H new ATOM 0 HD23 LEU A 28 5.729 -1.900 -8.332 1.00 23.14 H new ATOM 36 N LYS A 29 6.925 -1.728 -3.746 1.00 45.22 N ATOM 37 CA LYS A 29 8.132 -2.114 -3.031 1.00 64.45 C ATOM 38 C LYS A 29 7.954 -3.489 -2.390 1.00 21.12 C ATOM 39 O LYS A 29 8.927 -4.195 -2.127 1.00 13.23 O ATOM 40 CB LYS A 29 8.474 -1.074 -1.960 1.00 44.21 C ATOM 41 CG LYS A 29 9.855 -0.459 -2.130 1.00 1.34 C ATOM 42 CD LYS A 29 10.952 -1.419 -1.696 1.00 52.14 C ATOM 43 CE LYS A 29 11.809 -0.827 -0.588 1.00 1.15 C ATOM 44 NZ LYS A 29 11.212 -1.055 0.757 1.00 4.41 N ATOM 0 H LYS A 29 6.476 -0.884 -3.391 1.00 45.22 H new ATOM 0 HA LYS A 29 8.954 -2.164 -3.745 1.00 64.45 H new ATOM 0 HB2 LYS A 29 7.727 -0.281 -1.983 1.00 44.21 H new ATOM 0 HB3 LYS A 29 8.412 -1.542 -0.978 1.00 44.21 H new ATOM 0 HG2 LYS A 29 10.005 -0.182 -3.174 1.00 1.34 H new ATOM 0 HG3 LYS A 29 9.920 0.458 -1.544 1.00 1.34 H new ATOM 0 HD2 LYS A 29 10.505 -2.352 -1.352 1.00 52.14 H new ATOM 0 HD3 LYS A 29 11.581 -1.664 -2.552 1.00 52.14 H new ATOM 0 HE2 LYS A 29 12.805 -1.270 -0.623 1.00 1.15 H new ATOM 0 HE3 LYS A 29 11.930 0.243 -0.755 1.00 1.15 H new ATOM 0 HZ1 LYS A 29 11.826 -0.637 1.485 1.00 4.41 H new ATOM 0 HZ2 LYS A 29 10.272 -0.611 0.800 1.00 4.41 H new ATOM 0 HZ3 LYS A 29 11.120 -2.077 0.927 1.00 4.41 H new ATOM 58 N LYS A 30 6.699 -3.860 -2.148 1.00 3.33 N ATOM 59 CA LYS A 30 6.382 -5.148 -1.545 1.00 15.04 C ATOM 60 C LYS A 30 6.689 -6.286 -2.512 1.00 70.15 C ATOM 61 O LYS A 30 7.262 -7.305 -2.126 1.00 72.30 O ATOM 62 CB LYS A 30 4.907 -5.191 -1.138 1.00 0.23 C ATOM 63 CG LYS A 30 4.647 -6.001 0.122 1.00 52.20 C ATOM 64 CD LYS A 30 4.246 -5.109 1.286 1.00 41.42 C ATOM 65 CE LYS A 30 2.879 -4.483 1.062 1.00 35.33 C ATOM 66 NZ LYS A 30 2.630 -3.345 1.990 1.00 31.53 N ATOM 0 H LYS A 30 5.885 -3.284 -2.362 1.00 3.33 H new ATOM 0 HA LYS A 30 7.001 -5.272 -0.656 1.00 15.04 H new ATOM 0 HB2 LYS A 30 4.551 -4.172 -0.985 1.00 0.23 H new ATOM 0 HB3 LYS A 30 4.325 -5.612 -1.957 1.00 0.23 H new ATOM 0 HG2 LYS A 30 3.858 -6.729 -0.069 1.00 52.20 H new ATOM 0 HG3 LYS A 30 5.543 -6.564 0.385 1.00 52.20 H new ATOM 0 HD2 LYS A 30 4.234 -5.693 2.206 1.00 41.42 H new ATOM 0 HD3 LYS A 30 4.990 -4.323 1.417 1.00 41.42 H new ATOM 0 HE2 LYS A 30 2.804 -4.134 0.032 1.00 35.33 H new ATOM 0 HE3 LYS A 30 2.106 -5.239 1.200 1.00 35.33 H new ATOM 0 HZ1 LYS A 30 1.688 -2.946 1.805 1.00 31.53 H new ATOM 0 HZ2 LYS A 30 2.676 -3.682 2.973 1.00 31.53 H new ATOM 0 HZ3 LYS A 30 3.352 -2.611 1.841 1.00 31.53 H new ATOM 80 N LEU A 31 6.304 -6.104 -3.770 1.00 1.12 N ATOM 81 CA LEU A 31 6.538 -7.113 -4.796 1.00 13.11 C ATOM 82 C LEU A 31 7.959 -7.014 -5.341 1.00 74.21 C ATOM 83 O LEU A 31 8.604 -8.029 -5.607 1.00 52.21 O ATOM 84 CB LEU A 31 5.530 -6.955 -5.936 1.00 72.32 C ATOM 85 CG LEU A 31 5.704 -7.938 -7.094 1.00 1.05 C ATOM 86 CD1 LEU A 31 5.537 -9.369 -6.610 1.00 73.23 C ATOM 87 CD2 LEU A 31 4.712 -7.630 -8.206 1.00 34.15 C ATOM 0 H LEU A 31 5.828 -5.266 -4.104 1.00 1.12 H new ATOM 0 HA LEU A 31 6.410 -8.095 -4.341 1.00 13.11 H new ATOM 0 HB2 LEU A 31 4.525 -7.069 -5.530 1.00 72.32 H new ATOM 0 HB3 LEU A 31 5.603 -5.940 -6.327 1.00 72.32 H new ATOM 0 HG LEU A 31 6.713 -7.827 -7.492 1.00 1.05 H new ATOM 0 HD11 LEU A 31 5.664 -10.054 -7.448 1.00 73.23 H new ATOM 0 HD12 LEU A 31 6.286 -9.585 -5.848 1.00 73.23 H new ATOM 0 HD13 LEU A 31 4.541 -9.496 -6.186 1.00 73.23 H new ATOM 0 HD21 LEU A 31 4.849 -8.339 -9.023 1.00 34.15 H new ATOM 0 HD22 LEU A 31 3.696 -7.713 -7.820 1.00 34.15 H new ATOM 0 HD23 LEU A 31 4.879 -6.617 -8.573 1.00 34.15 H new ATOM 99 N GLY A 32 8.439 -5.787 -5.507 1.00 32.23 N ATOM 100 CA GLY A 32 9.780 -5.578 -6.020 1.00 54.23 C ATOM 101 C GLY A 32 10.844 -6.213 -5.148 1.00 10.12 C ATOM 102 O GLY A 32 11.902 -6.608 -5.636 1.00 75.14 O ATOM 0 H GLY A 32 7.923 -4.933 -5.295 1.00 32.23 H new ATOM 0 HA2 GLY A 32 9.848 -5.990 -7.027 1.00 54.23 H new ATOM 0 HA3 GLY A 32 9.972 -4.508 -6.099 1.00 54.23 H new ATOM 106 N LYS A 33 10.563 -6.311 -3.852 1.00 70.24 N ATOM 107 CA LYS A 33 11.506 -6.903 -2.908 1.00 3.44 C ATOM 108 C LYS A 33 11.378 -8.423 -2.888 1.00 2.23 C ATOM 109 O LYS A 33 12.333 -9.130 -2.566 1.00 21.23 O ATOM 110 CB LYS A 33 11.272 -6.342 -1.504 1.00 31.30 C ATOM 111 CG LYS A 33 12.511 -6.370 -0.623 1.00 24.13 C ATOM 112 CD LYS A 33 13.158 -4.997 -0.525 1.00 32.50 C ATOM 113 CE LYS A 33 14.328 -4.861 -1.487 1.00 75.04 C ATOM 114 NZ LYS A 33 14.375 -3.513 -2.119 1.00 61.33 N ATOM 0 H LYS A 33 9.691 -5.989 -3.432 1.00 70.24 H new ATOM 0 HA LYS A 33 12.515 -6.647 -3.233 1.00 3.44 H new ATOM 0 HB2 LYS A 33 10.918 -5.314 -1.587 1.00 31.30 H new ATOM 0 HB3 LYS A 33 10.480 -6.914 -1.021 1.00 31.30 H new ATOM 0 HG2 LYS A 33 12.242 -6.718 0.374 1.00 24.13 H new ATOM 0 HG3 LYS A 33 13.229 -7.084 -1.027 1.00 24.13 H new ATOM 0 HD2 LYS A 33 12.416 -4.228 -0.742 1.00 32.50 H new ATOM 0 HD3 LYS A 33 13.503 -4.828 0.495 1.00 32.50 H new ATOM 0 HE2 LYS A 33 15.260 -5.044 -0.953 1.00 75.04 H new ATOM 0 HE3 LYS A 33 14.250 -5.623 -2.263 1.00 75.04 H new ATOM 0 HZ1 LYS A 33 15.187 -3.462 -2.767 1.00 61.33 H new ATOM 0 HZ2 LYS A 33 13.496 -3.348 -2.650 1.00 61.33 H new ATOM 0 HZ3 LYS A 33 14.475 -2.787 -1.381 1.00 61.33 H new ATOM 128 N LYS A 34 10.195 -8.921 -3.236 1.00 42.14 N ATOM 129 CA LYS A 34 9.948 -10.358 -3.260 1.00 31.43 C ATOM 130 C LYS A 34 10.761 -11.020 -4.360 1.00 50.33 C ATOM 131 O LYS A 34 11.648 -11.832 -4.098 1.00 4.53 O ATOM 132 CB LYS A 34 8.464 -10.630 -3.492 1.00 73.30 C ATOM 133 CG LYS A 34 7.601 -10.375 -2.273 1.00 31.14 C ATOM 134 CD LYS A 34 7.642 -11.552 -1.314 1.00 43.53 C ATOM 135 CE LYS A 34 7.981 -11.113 0.103 1.00 41.42 C ATOM 136 NZ LYS A 34 9.025 -11.979 0.718 1.00 73.14 N ATOM 0 H LYS A 34 9.393 -8.351 -3.505 1.00 42.14 H new ATOM 0 HA LYS A 34 10.248 -10.774 -2.298 1.00 31.43 H new ATOM 0 HB2 LYS A 34 8.113 -10.004 -4.312 1.00 73.30 H new ATOM 0 HB3 LYS A 34 8.338 -11.666 -3.805 1.00 73.30 H new ATOM 0 HG2 LYS A 34 7.945 -9.475 -1.763 1.00 31.14 H new ATOM 0 HG3 LYS A 34 6.573 -10.192 -2.584 1.00 31.14 H new ATOM 0 HD2 LYS A 34 6.676 -12.057 -1.317 1.00 43.53 H new ATOM 0 HD3 LYS A 34 8.381 -12.275 -1.657 1.00 43.53 H new ATOM 0 HE2 LYS A 34 8.328 -10.080 0.090 1.00 41.42 H new ATOM 0 HE3 LYS A 34 7.080 -11.139 0.716 1.00 41.42 H new ATOM 0 HZ1 LYS A 34 9.228 -11.647 1.683 1.00 73.14 H new ATOM 0 HZ2 LYS A 34 8.684 -12.961 0.754 1.00 73.14 H new ATOM 0 HZ3 LYS A 34 9.893 -11.935 0.147 1.00 73.14 H new ATOM 150 N LEU A 35 10.446 -10.657 -5.594 1.00 30.43 N ATOM 151 CA LEU A 35 11.137 -11.200 -6.759 1.00 13.40 C ATOM 152 C LEU A 35 12.642 -11.010 -6.633 1.00 2.51 C ATOM 153 O LEU A 35 13.421 -11.937 -6.851 1.00 44.24 O ATOM 154 CB LEU A 35 10.630 -10.524 -8.035 1.00 61.54 C ATOM 155 CG LEU A 35 11.016 -9.052 -8.208 1.00 63.33 C ATOM 156 CD1 LEU A 35 12.385 -8.927 -8.862 1.00 20.11 C ATOM 157 CD2 LEU A 35 9.963 -8.325 -9.031 1.00 20.22 C ATOM 0 H LEU A 35 9.712 -9.985 -5.818 1.00 30.43 H new ATOM 0 HA LEU A 35 10.928 -12.268 -6.813 1.00 13.40 H new ATOM 0 HB2 LEU A 35 11.006 -11.082 -8.893 1.00 61.54 H new ATOM 0 HB3 LEU A 35 9.543 -10.600 -8.057 1.00 61.54 H new ATOM 0 HG LEU A 35 11.068 -8.591 -7.222 1.00 63.33 H new ATOM 0 HD11 LEU A 35 12.639 -7.873 -8.975 1.00 20.11 H new ATOM 0 HD12 LEU A 35 13.133 -9.416 -8.237 1.00 20.11 H new ATOM 0 HD13 LEU A 35 12.365 -9.403 -9.842 1.00 20.11 H new ATOM 0 HD21 LEU A 35 10.249 -7.280 -9.147 1.00 20.22 H new ATOM 0 HD22 LEU A 35 9.884 -8.790 -10.013 1.00 20.22 H new ATOM 0 HD23 LEU A 35 9.000 -8.383 -8.523 1.00 20.22 H new ATOM 169 N GLU A 36 13.033 -9.798 -6.279 1.00 2.34 N ATOM 170 CA GLU A 36 14.443 -9.455 -6.114 1.00 23.21 C ATOM 171 C GLU A 36 15.145 -10.449 -5.191 1.00 23.31 C ATOM 172 O GLU A 36 16.299 -10.810 -5.415 1.00 60.41 O ATOM 173 CB GLU A 36 14.580 -8.038 -5.553 1.00 51.44 C ATOM 174 CG GLU A 36 14.808 -6.981 -6.622 1.00 12.22 C ATOM 175 CD GLU A 36 16.196 -6.372 -6.554 1.00 44.14 C ATOM 176 OE1 GLU A 36 17.176 -7.093 -6.834 1.00 12.52 O ATOM 177 OE2 GLU A 36 16.302 -5.172 -6.221 1.00 63.12 O ATOM 0 H GLU A 36 12.391 -9.026 -6.098 1.00 2.34 H new ATOM 0 HA GLU A 36 14.918 -9.501 -7.094 1.00 23.21 H new ATOM 0 HB2 GLU A 36 13.678 -7.789 -4.993 1.00 51.44 H new ATOM 0 HB3 GLU A 36 15.410 -8.014 -4.847 1.00 51.44 H new ATOM 0 HG2 GLU A 36 14.658 -7.426 -7.606 1.00 12.22 H new ATOM 0 HG3 GLU A 36 14.064 -6.192 -6.513 1.00 12.22 H new ATOM 184 N GLY A 37 14.437 -10.888 -4.156 1.00 42.10 N ATOM 185 CA GLY A 37 15.007 -11.836 -3.217 1.00 51.44 C ATOM 186 C GLY A 37 15.204 -13.208 -3.829 1.00 60.32 C ATOM 187 O GLY A 37 16.250 -13.832 -3.648 1.00 60.03 O ATOM 0 H GLY A 37 13.479 -10.604 -3.951 1.00 42.10 H new ATOM 0 HA2 GLY A 37 15.966 -11.459 -2.861 1.00 51.44 H new ATOM 0 HA3 GLY A 37 14.355 -11.919 -2.348 1.00 51.44 H new ATOM 191 N ALA A 38 14.197 -13.677 -4.558 1.00 42.22 N ATOM 192 CA ALA A 38 14.263 -14.984 -5.200 1.00 73.23 C ATOM 193 C ALA A 38 15.192 -14.950 -6.410 1.00 2.00 C ATOM 194 O ALA A 38 15.878 -15.924 -6.705 1.00 31.14 O ATOM 195 CB ALA A 38 12.870 -15.441 -5.610 1.00 71.33 C ATOM 0 H ALA A 38 13.326 -13.171 -4.719 1.00 42.22 H new ATOM 0 HA ALA A 38 14.668 -15.698 -4.483 1.00 73.23 H new ATOM 0 HB1 ALA A 38 12.934 -16.418 -6.088 1.00 71.33 H new ATOM 0 HB2 ALA A 38 12.235 -15.510 -4.727 1.00 71.33 H new ATOM 0 HB3 ALA A 38 12.442 -14.722 -6.309 1.00 71.33 H new ATOM 201 N GLY A 39 15.208 -13.820 -7.104 1.00 1.33 N ATOM 202 CA GLY A 39 16.054 -13.673 -8.270 1.00 1.04 C ATOM 203 C GLY A 39 17.528 -13.751 -7.931 1.00 41.54 C ATOM 204 O GLY A 39 18.353 -14.042 -8.795 1.00 21.25 O ATOM 0 H GLY A 39 14.647 -12.999 -6.878 1.00 1.33 H new ATOM 0 HA2 GLY A 39 15.809 -14.451 -8.993 1.00 1.04 H new ATOM 0 HA3 GLY A 39 15.845 -12.716 -8.748 1.00 1.04 H new ATOM 208 N LYS A 40 17.865 -13.489 -6.671 1.00 53.55 N ATOM 209 CA LYS A 40 19.253 -13.533 -6.234 1.00 12.24 C ATOM 210 C LYS A 40 19.801 -14.953 -6.336 1.00 74.31 C ATOM 211 O LYS A 40 20.780 -15.204 -7.035 1.00 51.43 O ATOM 212 CB LYS A 40 19.381 -13.023 -4.798 1.00 10.13 C ATOM 213 CG LYS A 40 20.806 -12.667 -4.405 1.00 23.44 C ATOM 214 CD LYS A 40 20.843 -11.484 -3.448 1.00 73.20 C ATOM 215 CE LYS A 40 21.829 -10.423 -3.910 1.00 61.22 C ATOM 216 NZ LYS A 40 22.372 -9.635 -2.769 1.00 72.12 N ATOM 0 H LYS A 40 17.198 -13.245 -5.939 1.00 53.55 H new ATOM 0 HA LYS A 40 19.836 -12.885 -6.888 1.00 12.24 H new ATOM 0 HB2 LYS A 40 18.748 -12.144 -4.675 1.00 10.13 H new ATOM 0 HB3 LYS A 40 19.004 -13.785 -4.115 1.00 10.13 H new ATOM 0 HG2 LYS A 40 21.282 -13.529 -3.938 1.00 23.44 H new ATOM 0 HG3 LYS A 40 21.383 -12.431 -5.299 1.00 23.44 H new ATOM 0 HD2 LYS A 40 19.847 -11.047 -3.369 1.00 73.20 H new ATOM 0 HD3 LYS A 40 21.119 -11.829 -2.452 1.00 73.20 H new ATOM 0 HE2 LYS A 40 22.650 -10.899 -4.446 1.00 61.22 H new ATOM 0 HE3 LYS A 40 21.337 -9.751 -4.613 1.00 61.22 H new ATOM 0 HZ1 LYS A 40 23.040 -8.922 -3.126 1.00 72.12 H new ATOM 0 HZ2 LYS A 40 21.591 -9.160 -2.273 1.00 72.12 H new ATOM 0 HZ3 LYS A 40 22.864 -10.272 -2.110 1.00 72.12 H new ATOM 230 N ARG A 41 19.156 -15.885 -5.646 1.00 24.41 N ATOM 231 CA ARG A 41 19.586 -17.278 -5.685 1.00 55.45 C ATOM 232 C ARG A 41 19.455 -17.832 -7.102 1.00 62.24 C ATOM 233 O ARG A 41 20.080 -18.834 -7.451 1.00 75.34 O ATOM 234 CB ARG A 41 18.775 -18.128 -4.703 1.00 52.34 C ATOM 235 CG ARG A 41 17.280 -18.115 -4.971 1.00 4.04 C ATOM 236 CD ARG A 41 16.863 -19.274 -5.861 1.00 12.25 C ATOM 237 NE ARG A 41 16.621 -20.494 -5.094 1.00 72.43 N ATOM 238 CZ ARG A 41 16.587 -21.712 -5.630 1.00 0.14 C ATOM 239 NH1 ARG A 41 16.777 -21.878 -6.933 1.00 34.04 N ATOM 240 NH2 ARG A 41 16.361 -22.769 -4.860 1.00 13.53 N ATOM 0 H ARG A 41 18.342 -15.705 -5.058 1.00 24.41 H new ATOM 0 HA ARG A 41 20.633 -17.321 -5.386 1.00 55.45 H new ATOM 0 HB2 ARG A 41 19.133 -19.157 -4.745 1.00 52.34 H new ATOM 0 HB3 ARG A 41 18.956 -17.769 -3.690 1.00 52.34 H new ATOM 0 HG2 ARG A 41 16.740 -18.168 -4.026 1.00 4.04 H new ATOM 0 HG3 ARG A 41 17.002 -17.173 -5.445 1.00 4.04 H new ATOM 0 HD2 ARG A 41 15.959 -19.004 -6.408 1.00 12.25 H new ATOM 0 HD3 ARG A 41 17.640 -19.460 -6.602 1.00 12.25 H new ATOM 0 HE ARG A 41 16.469 -20.407 -4.089 1.00 72.43 H new ATOM 0 HH11 ARG A 41 16.950 -21.069 -7.530 1.00 34.04 H new ATOM 0 HH12 ARG A 41 16.750 -22.814 -7.337 1.00 34.04 H new ATOM 0 HH21 ARG A 41 16.213 -22.648 -3.858 1.00 13.53 H new ATOM 0 HH22 ARG A 41 16.335 -23.703 -5.270 1.00 13.53 H new ATOM 254 N VAL A 42 18.635 -17.167 -7.914 1.00 73.41 N ATOM 255 CA VAL A 42 18.414 -17.577 -9.294 1.00 61.50 C ATOM 256 C VAL A 42 19.493 -17.021 -10.208 1.00 52.53 C ATOM 257 O VAL A 42 20.024 -17.730 -11.063 1.00 3.41 O ATOM 258 CB VAL A 42 17.045 -17.099 -9.798 1.00 60.21 C ATOM 259 CG1 VAL A 42 16.765 -17.628 -11.197 1.00 30.14 C ATOM 260 CG2 VAL A 42 15.960 -17.525 -8.832 1.00 44.43 C ATOM 0 H VAL A 42 18.111 -16.337 -7.635 1.00 73.41 H new ATOM 0 HA VAL A 42 18.448 -18.666 -9.314 1.00 61.50 H new ATOM 0 HB VAL A 42 17.055 -16.010 -9.852 1.00 60.21 H new ATOM 0 HG11 VAL A 42 15.789 -17.275 -11.531 1.00 30.14 H new ATOM 0 HG12 VAL A 42 17.534 -17.271 -11.882 1.00 30.14 H new ATOM 0 HG13 VAL A 42 16.771 -18.718 -11.182 1.00 30.14 H new ATOM 0 HG21 VAL A 42 14.992 -17.182 -9.197 1.00 44.43 H new ATOM 0 HG22 VAL A 42 15.952 -18.612 -8.750 1.00 44.43 H new ATOM 0 HG23 VAL A 42 16.153 -17.089 -7.852 1.00 44.43 H new ATOM 270 N PHE A 43 19.818 -15.746 -10.023 1.00 54.30 N ATOM 271 CA PHE A 43 20.841 -15.097 -10.830 1.00 11.14 C ATOM 272 C PHE A 43 22.096 -15.964 -10.869 1.00 64.43 C ATOM 273 O PHE A 43 22.737 -16.105 -11.910 1.00 12.23 O ATOM 274 CB PHE A 43 21.136 -13.691 -10.279 1.00 0.13 C ATOM 275 CG PHE A 43 22.415 -13.572 -9.493 1.00 45.31 C ATOM 276 CD1 PHE A 43 23.642 -13.685 -10.121 1.00 54.33 C ATOM 277 CD2 PHE A 43 22.381 -13.338 -8.130 1.00 14.54 C ATOM 278 CE1 PHE A 43 24.817 -13.570 -9.402 1.00 21.21 C ATOM 279 CE2 PHE A 43 23.551 -13.219 -7.404 1.00 55.31 C ATOM 280 CZ PHE A 43 24.770 -13.335 -8.041 1.00 30.32 C ATOM 0 H PHE A 43 19.387 -15.143 -9.322 1.00 54.30 H new ATOM 0 HA PHE A 43 20.482 -14.981 -11.853 1.00 11.14 H new ATOM 0 HB2 PHE A 43 21.173 -12.990 -11.113 1.00 0.13 H new ATOM 0 HB3 PHE A 43 20.306 -13.385 -9.642 1.00 0.13 H new ATOM 0 HD1 PHE A 43 23.683 -13.865 -11.185 1.00 54.33 H new ATOM 0 HD2 PHE A 43 21.429 -13.247 -7.627 1.00 14.54 H new ATOM 0 HE1 PHE A 43 25.769 -13.664 -9.903 1.00 21.21 H new ATOM 0 HE2 PHE A 43 23.512 -13.036 -6.340 1.00 55.31 H new ATOM 0 HZ PHE A 43 25.686 -13.242 -7.476 1.00 30.32 H new ATOM 290 N LYS A 44 22.420 -16.562 -9.726 1.00 22.53 N ATOM 291 CA LYS A 44 23.576 -17.441 -9.624 1.00 24.23 C ATOM 292 C LYS A 44 23.267 -18.778 -10.286 1.00 52.15 C ATOM 293 O LYS A 44 24.151 -19.435 -10.835 1.00 24.21 O ATOM 294 CB LYS A 44 23.959 -17.652 -8.157 1.00 52.35 C ATOM 295 CG LYS A 44 25.189 -16.869 -7.731 1.00 63.25 C ATOM 296 CD LYS A 44 25.575 -17.178 -6.293 1.00 41.12 C ATOM 297 CE LYS A 44 26.356 -16.033 -5.665 1.00 2.13 C ATOM 298 NZ LYS A 44 27.784 -16.392 -5.442 1.00 55.25 N ATOM 0 H LYS A 44 21.896 -16.452 -8.858 1.00 22.53 H new ATOM 0 HA LYS A 44 24.419 -16.976 -10.136 1.00 24.23 H new ATOM 0 HB2 LYS A 44 23.118 -17.364 -7.526 1.00 52.35 H new ATOM 0 HB3 LYS A 44 24.137 -18.714 -7.986 1.00 52.35 H new ATOM 0 HG2 LYS A 44 26.022 -17.109 -8.392 1.00 63.25 H new ATOM 0 HG3 LYS A 44 24.996 -15.801 -7.836 1.00 63.25 H new ATOM 0 HD2 LYS A 44 24.676 -17.370 -5.708 1.00 41.12 H new ATOM 0 HD3 LYS A 44 26.175 -18.088 -6.264 1.00 41.12 H new ATOM 0 HE2 LYS A 44 26.298 -15.157 -6.311 1.00 2.13 H new ATOM 0 HE3 LYS A 44 25.898 -15.759 -4.715 1.00 2.13 H new ATOM 0 HZ1 LYS A 44 28.282 -15.586 -5.013 1.00 55.25 H new ATOM 0 HZ2 LYS A 44 27.840 -17.212 -4.805 1.00 55.25 H new ATOM 0 HZ3 LYS A 44 28.229 -16.629 -6.352 1.00 55.25 H new ATOM 312 N ALA A 45 21.994 -19.167 -10.238 1.00 43.40 N ATOM 313 CA ALA A 45 21.547 -20.414 -10.839 1.00 15.22 C ATOM 314 C ALA A 45 21.770 -20.392 -12.345 1.00 4.44 C ATOM 315 O ALA A 45 22.206 -21.380 -12.936 1.00 74.12 O ATOM 316 CB ALA A 45 20.076 -20.648 -10.524 1.00 73.21 C ATOM 0 H ALA A 45 21.254 -18.631 -9.786 1.00 43.40 H new ATOM 0 HA ALA A 45 22.131 -21.232 -10.418 1.00 15.22 H new ATOM 0 HB1 ALA A 45 19.751 -21.584 -10.978 1.00 73.21 H new ATOM 0 HB2 ALA A 45 19.939 -20.702 -9.444 1.00 73.21 H new ATOM 0 HB3 ALA A 45 19.483 -19.825 -10.924 1.00 73.21 H new ATOM 322 N SER A 46 21.473 -19.251 -12.960 1.00 65.24 N ATOM 323 CA SER A 46 21.645 -19.089 -14.398 1.00 43.02 C ATOM 324 C SER A 46 23.078 -18.685 -14.723 1.00 70.15 C ATOM 325 O SER A 46 23.634 -19.098 -15.740 1.00 62.55 O ATOM 326 CB SER A 46 20.671 -18.038 -14.934 1.00 71.24 C ATOM 327 OG SER A 46 20.480 -18.184 -16.330 1.00 30.14 O ATOM 0 H SER A 46 21.112 -18.425 -12.483 1.00 65.24 H new ATOM 0 HA SER A 46 21.434 -20.044 -14.879 1.00 43.02 H new ATOM 0 HB2 SER A 46 19.714 -18.130 -14.421 1.00 71.24 H new ATOM 0 HB3 SER A 46 21.053 -17.040 -14.719 1.00 71.24 H new ATOM 0 HG SER A 46 19.852 -17.502 -16.647 1.00 30.14 H new ATOM 333 N GLU A 47 23.671 -17.877 -13.849 1.00 22.41 N ATOM 334 CA GLU A 47 25.044 -17.421 -14.041 1.00 41.12 C ATOM 335 C GLU A 47 25.988 -18.610 -14.170 1.00 53.33 C ATOM 336 O GLU A 47 26.974 -18.558 -14.906 1.00 13.45 O ATOM 337 CB GLU A 47 25.480 -16.531 -12.875 1.00 53.25 C ATOM 338 CG GLU A 47 25.396 -15.045 -13.179 1.00 54.31 C ATOM 339 CD GLU A 47 26.669 -14.504 -13.800 1.00 24.40 C ATOM 340 OE1 GLU A 47 27.573 -14.096 -13.042 1.00 52.42 O ATOM 341 OE2 GLU A 47 26.761 -14.488 -15.045 1.00 23.30 O ATOM 0 H GLU A 47 23.223 -17.525 -13.003 1.00 22.41 H new ATOM 0 HA GLU A 47 25.085 -16.839 -14.962 1.00 41.12 H new ATOM 0 HB2 GLU A 47 24.857 -16.752 -12.008 1.00 53.25 H new ATOM 0 HB3 GLU A 47 26.506 -16.780 -12.603 1.00 53.25 H new ATOM 0 HG2 GLU A 47 24.561 -14.863 -13.855 1.00 54.31 H new ATOM 0 HG3 GLU A 47 25.186 -14.501 -12.258 1.00 54.31 H new ATOM 348 N LYS A 48 25.676 -19.683 -13.450 1.00 64.13 N ATOM 349 CA LYS A 48 26.493 -20.890 -13.485 1.00 30.15 C ATOM 350 C LYS A 48 26.376 -21.582 -14.839 1.00 14.42 C ATOM 351 O LYS A 48 27.329 -22.197 -15.317 1.00 1.20 O ATOM 352 CB LYS A 48 26.074 -21.846 -12.365 1.00 32.10 C ATOM 353 CG LYS A 48 27.162 -22.085 -11.332 1.00 63.40 C ATOM 354 CD LYS A 48 27.073 -23.483 -10.741 1.00 54.12 C ATOM 355 CE LYS A 48 27.991 -23.639 -9.539 1.00 21.54 C ATOM 356 NZ LYS A 48 27.851 -24.978 -8.903 1.00 12.21 N ATOM 0 H LYS A 48 24.864 -19.741 -12.836 1.00 64.13 H new ATOM 0 HA LYS A 48 27.534 -20.604 -13.334 1.00 30.15 H new ATOM 0 HB2 LYS A 48 25.192 -21.444 -11.866 1.00 32.10 H new ATOM 0 HB3 LYS A 48 25.784 -22.801 -12.803 1.00 32.10 H new ATOM 0 HG2 LYS A 48 28.140 -21.946 -11.793 1.00 63.40 H new ATOM 0 HG3 LYS A 48 27.077 -21.346 -10.535 1.00 63.40 H new ATOM 0 HD2 LYS A 48 26.045 -23.689 -10.444 1.00 54.12 H new ATOM 0 HD3 LYS A 48 27.339 -24.218 -11.501 1.00 54.12 H new ATOM 0 HE2 LYS A 48 29.025 -23.491 -9.850 1.00 21.54 H new ATOM 0 HE3 LYS A 48 27.765 -22.864 -8.807 1.00 21.54 H new ATOM 0 HZ1 LYS A 48 28.493 -25.044 -8.088 1.00 12.21 H new ATOM 0 HZ2 LYS A 48 26.870 -25.109 -8.583 1.00 12.21 H new ATOM 0 HZ3 LYS A 48 28.091 -25.717 -9.594 1.00 12.21 H new ATOM 370 N ALA A 49 25.202 -21.474 -15.455 1.00 54.43 N ATOM 371 CA ALA A 49 24.966 -22.087 -16.756 1.00 74.42 C ATOM 372 C ALA A 49 24.995 -21.057 -17.872 1.00 5.45 C ATOM 373 O ALA A 49 24.628 -21.367 -19.000 1.00 74.42 O ATOM 374 CB ALA A 49 23.642 -22.822 -16.773 1.00 2.52 C ATOM 0 H ALA A 49 24.402 -20.969 -15.074 1.00 54.43 H new ATOM 0 HA ALA A 49 25.772 -22.800 -16.927 1.00 74.42 H new ATOM 0 HB1 ALA A 49 23.488 -23.271 -17.754 1.00 2.52 H new ATOM 0 HB2 ALA A 49 23.650 -23.604 -16.013 1.00 2.52 H new ATOM 0 HB3 ALA A 49 22.834 -22.121 -16.564 1.00 2.52 H new ATOM 380 N LEU A 50 25.443 -19.837 -17.578 1.00 4.43 N ATOM 381 CA LEU A 50 25.514 -18.812 -18.612 1.00 23.23 C ATOM 382 C LEU A 50 26.333 -19.314 -19.790 1.00 25.22 C ATOM 383 O LEU A 50 25.936 -19.182 -20.939 1.00 33.33 O ATOM 384 CB LEU A 50 26.082 -17.496 -18.074 1.00 33.15 C ATOM 385 CG LEU A 50 26.259 -16.382 -19.106 1.00 72.13 C ATOM 386 CD1 LEU A 50 25.847 -15.040 -18.520 1.00 33.22 C ATOM 387 CD2 LEU A 50 27.701 -16.332 -19.591 1.00 51.03 C ATOM 0 H LEU A 50 25.755 -19.541 -16.653 1.00 4.43 H new ATOM 0 HA LEU A 50 24.498 -18.607 -18.949 1.00 23.23 H new ATOM 0 HB2 LEU A 50 25.425 -17.134 -17.284 1.00 33.15 H new ATOM 0 HB3 LEU A 50 27.050 -17.699 -17.616 1.00 33.15 H new ATOM 0 HG LEU A 50 25.614 -16.596 -19.959 1.00 72.13 H new ATOM 0 HD11 LEU A 50 25.980 -14.260 -19.269 1.00 33.22 H new ATOM 0 HD12 LEU A 50 24.800 -15.080 -18.220 1.00 33.22 H new ATOM 0 HD13 LEU A 50 26.465 -14.817 -17.651 1.00 33.22 H new ATOM 0 HD21 LEU A 50 27.810 -15.534 -20.325 1.00 51.03 H new ATOM 0 HD22 LEU A 50 28.363 -16.141 -18.746 1.00 51.03 H new ATOM 0 HD23 LEU A 50 27.964 -17.285 -20.050 1.00 51.03 H new ATOM 399 N PRO A 51 27.459 -19.959 -19.499 1.00 71.20 N ATOM 400 CA PRO A 51 28.316 -20.554 -20.518 1.00 31.21 C ATOM 401 C PRO A 51 27.589 -21.707 -21.203 1.00 53.30 C ATOM 402 O PRO A 51 27.918 -22.098 -22.323 1.00 72.14 O ATOM 403 CB PRO A 51 29.532 -21.079 -19.738 1.00 64.23 C ATOM 404 CG PRO A 51 29.374 -20.596 -18.330 1.00 71.34 C ATOM 405 CD PRO A 51 27.929 -20.217 -18.148 1.00 53.01 C ATOM 0 HA PRO A 51 28.597 -19.845 -21.297 1.00 31.21 H new ATOM 0 HB2 PRO A 51 29.574 -22.168 -19.772 1.00 64.23 H new ATOM 0 HB3 PRO A 51 30.461 -20.710 -20.173 1.00 64.23 H new ATOM 0 HG2 PRO A 51 29.660 -21.374 -17.622 1.00 71.34 H new ATOM 0 HG3 PRO A 51 30.023 -19.740 -18.142 1.00 71.34 H new ATOM 0 HD2 PRO A 51 27.363 -21.019 -17.675 1.00 53.01 H new ATOM 0 HD3 PRO A 51 27.824 -19.336 -17.514 1.00 53.01 H new ATOM 413 N VAL A 52 26.594 -22.241 -20.497 1.00 61.50 N ATOM 414 CA VAL A 52 25.788 -23.349 -20.984 1.00 34.31 C ATOM 415 C VAL A 52 24.483 -22.857 -21.598 1.00 43.24 C ATOM 416 O VAL A 52 23.834 -23.585 -22.344 1.00 23.44 O ATOM 417 CB VAL A 52 25.485 -24.335 -19.837 1.00 13.34 C ATOM 418 CG1 VAL A 52 24.490 -25.399 -20.263 1.00 14.03 C ATOM 419 CG2 VAL A 52 26.770 -24.972 -19.330 1.00 52.33 C ATOM 0 H VAL A 52 26.327 -21.913 -19.569 1.00 61.50 H new ATOM 0 HA VAL A 52 26.360 -23.860 -21.759 1.00 34.31 H new ATOM 0 HB VAL A 52 25.031 -23.769 -19.023 1.00 13.34 H new ATOM 0 HG11 VAL A 52 24.301 -26.075 -19.429 1.00 14.03 H new ATOM 0 HG12 VAL A 52 23.556 -24.924 -20.564 1.00 14.03 H new ATOM 0 HG13 VAL A 52 24.897 -25.963 -21.102 1.00 14.03 H new ATOM 0 HG21 VAL A 52 26.538 -25.665 -18.521 1.00 52.33 H new ATOM 0 HG22 VAL A 52 27.254 -25.513 -20.143 1.00 52.33 H new ATOM 0 HG23 VAL A 52 27.440 -24.195 -18.962 1.00 52.33 H new ATOM 429 N VAL A 53 24.120 -21.618 -21.298 1.00 10.32 N ATOM 430 CA VAL A 53 22.915 -21.016 -21.843 1.00 20.02 C ATOM 431 C VAL A 53 23.294 -20.126 -23.018 1.00 2.12 C ATOM 432 O VAL A 53 22.511 -19.922 -23.947 1.00 73.34 O ATOM 433 CB VAL A 53 22.148 -20.199 -20.775 1.00 50.53 C ATOM 434 CG1 VAL A 53 22.724 -18.797 -20.627 1.00 15.03 C ATOM 435 CG2 VAL A 53 20.667 -20.140 -21.114 1.00 0.44 C ATOM 0 H VAL A 53 24.649 -21.007 -20.675 1.00 10.32 H new ATOM 0 HA VAL A 53 22.250 -21.813 -22.177 1.00 20.02 H new ATOM 0 HB VAL A 53 22.266 -20.706 -19.817 1.00 50.53 H new ATOM 0 HG11 VAL A 53 22.162 -18.251 -19.869 1.00 15.03 H new ATOM 0 HG12 VAL A 53 23.770 -18.863 -20.326 1.00 15.03 H new ATOM 0 HG13 VAL A 53 22.653 -18.272 -21.580 1.00 15.03 H new ATOM 0 HG21 VAL A 53 20.142 -19.562 -20.353 1.00 0.44 H new ATOM 0 HG22 VAL A 53 20.535 -19.665 -22.086 1.00 0.44 H new ATOM 0 HG23 VAL A 53 20.261 -21.151 -21.146 1.00 0.44 H new ATOM 445 N VAL A 54 24.522 -19.616 -22.966 1.00 62.10 N ATOM 446 CA VAL A 54 25.051 -18.765 -24.015 1.00 20.12 C ATOM 447 C VAL A 54 25.576 -19.601 -25.158 1.00 34.53 C ATOM 448 O VAL A 54 25.357 -19.284 -26.318 1.00 42.02 O ATOM 449 CB VAL A 54 26.190 -17.861 -23.501 1.00 14.22 C ATOM 450 CG1 VAL A 54 25.745 -17.046 -22.295 1.00 31.23 C ATOM 451 CG2 VAL A 54 27.429 -18.683 -23.162 1.00 55.31 C ATOM 0 H VAL A 54 25.171 -19.783 -22.197 1.00 62.10 H new ATOM 0 HA VAL A 54 24.230 -18.134 -24.356 1.00 20.12 H new ATOM 0 HB VAL A 54 26.447 -17.168 -24.302 1.00 14.22 H new ATOM 0 HG11 VAL A 54 26.569 -16.419 -21.956 1.00 31.23 H new ATOM 0 HG12 VAL A 54 24.900 -16.416 -22.573 1.00 31.23 H new ATOM 0 HG13 VAL A 54 25.446 -17.719 -21.491 1.00 31.23 H new ATOM 0 HG21 VAL A 54 28.217 -18.022 -22.802 1.00 55.31 H new ATOM 0 HG22 VAL A 54 27.183 -19.409 -22.388 1.00 55.31 H new ATOM 0 HG23 VAL A 54 27.774 -19.206 -24.054 1.00 55.31 H new ATOM 461 N GLY A 55 26.271 -20.675 -24.819 1.00 5.15 N ATOM 462 CA GLY A 55 26.819 -21.550 -25.834 1.00 73.21 C ATOM 463 C GLY A 55 25.818 -21.850 -26.922 1.00 64.40 C ATOM 464 O GLY A 55 26.187 -22.065 -28.071 1.00 74.33 O ATOM 0 H GLY A 55 26.466 -20.957 -23.858 1.00 5.15 H new ATOM 0 HA2 GLY A 55 27.703 -21.087 -26.272 1.00 73.21 H new ATOM 0 HA3 GLY A 55 27.143 -22.483 -25.372 1.00 73.21 H new ATOM 468 N ILE A 56 24.542 -21.844 -26.561 1.00 51.24 N ATOM 469 CA ILE A 56 23.485 -22.097 -27.539 1.00 42.52 C ATOM 470 C ILE A 56 23.116 -20.801 -28.239 1.00 74.24 C ATOM 471 O ILE A 56 22.876 -20.775 -29.445 1.00 33.03 O ATOM 472 CB ILE A 56 22.218 -22.698 -26.898 1.00 15.51 C ATOM 473 CG1 ILE A 56 22.574 -23.543 -25.679 1.00 63.11 C ATOM 474 CG2 ILE A 56 21.449 -23.525 -27.917 1.00 52.32 C ATOM 475 CD1 ILE A 56 22.403 -22.797 -24.379 1.00 62.23 C ATOM 0 H ILE A 56 24.213 -21.669 -25.611 1.00 51.24 H new ATOM 0 HA ILE A 56 23.875 -22.824 -28.251 1.00 42.52 H new ATOM 0 HB ILE A 56 21.581 -21.878 -26.566 1.00 15.51 H new ATOM 0 HG12 ILE A 56 21.948 -24.435 -25.666 1.00 63.11 H new ATOM 0 HG13 ILE A 56 23.607 -23.880 -25.766 1.00 63.11 H new ATOM 0 HG21 ILE A 56 20.558 -23.942 -27.449 1.00 52.32 H new ATOM 0 HG22 ILE A 56 21.156 -22.891 -28.754 1.00 52.32 H new ATOM 0 HG23 ILE A 56 22.081 -24.335 -28.280 1.00 52.32 H new ATOM 0 HD11 ILE A 56 22.671 -23.449 -23.547 1.00 62.23 H new ATOM 0 HD12 ILE A 56 23.050 -21.920 -24.375 1.00 62.23 H new ATOM 0 HD13 ILE A 56 21.365 -22.483 -24.274 1.00 62.23 H new ATOM 487 N LYS A 57 23.100 -19.719 -27.472 1.00 64.53 N ATOM 488 CA LYS A 57 22.795 -18.408 -28.017 1.00 13.12 C ATOM 489 C LYS A 57 24.007 -17.880 -28.780 1.00 54.54 C ATOM 490 O LYS A 57 23.888 -17.012 -29.643 1.00 22.50 O ATOM 491 CB LYS A 57 22.410 -17.438 -26.898 1.00 4.24 C ATOM 492 CG LYS A 57 20.909 -17.250 -26.747 1.00 12.54 C ATOM 493 CD LYS A 57 20.549 -15.793 -26.502 1.00 13.24 C ATOM 494 CE LYS A 57 20.811 -15.389 -25.060 1.00 10.43 C ATOM 495 NZ LYS A 57 20.788 -13.910 -24.885 1.00 70.11 N ATOM 0 H LYS A 57 23.295 -19.726 -26.471 1.00 64.53 H new ATOM 0 HA LYS A 57 21.949 -18.495 -28.699 1.00 13.12 H new ATOM 0 HB2 LYS A 57 22.819 -17.802 -25.956 1.00 4.24 H new ATOM 0 HB3 LYS A 57 22.872 -16.470 -27.093 1.00 4.24 H new ATOM 0 HG2 LYS A 57 20.405 -17.604 -27.647 1.00 12.54 H new ATOM 0 HG3 LYS A 57 20.547 -17.859 -25.919 1.00 12.54 H new ATOM 0 HD2 LYS A 57 21.129 -15.157 -27.170 1.00 13.24 H new ATOM 0 HD3 LYS A 57 19.498 -15.632 -26.741 1.00 13.24 H new ATOM 0 HE2 LYS A 57 20.060 -15.843 -24.414 1.00 10.43 H new ATOM 0 HE3 LYS A 57 21.780 -15.777 -24.744 1.00 10.43 H new ATOM 0 HZ1 LYS A 57 20.971 -13.675 -23.888 1.00 70.11 H new ATOM 0 HZ2 LYS A 57 21.522 -13.478 -25.482 1.00 70.11 H new ATOM 0 HZ3 LYS A 57 19.855 -13.542 -25.162 1.00 70.11 H new ATOM 509 N ALA A 58 25.177 -18.417 -28.455 1.00 63.31 N ATOM 510 CA ALA A 58 26.408 -18.010 -29.111 1.00 74.34 C ATOM 511 C ALA A 58 26.649 -18.830 -30.376 1.00 22.34 C ATOM 512 O ALA A 58 27.394 -18.415 -31.264 1.00 50.45 O ATOM 513 CB ALA A 58 27.580 -18.132 -28.148 1.00 2.13 C ATOM 0 H ALA A 58 25.296 -19.135 -27.741 1.00 63.31 H new ATOM 0 HA ALA A 58 26.314 -16.966 -29.409 1.00 74.34 H new ATOM 0 HB1 ALA A 58 28.497 -17.824 -28.650 1.00 2.13 H new ATOM 0 HB2 ALA A 58 27.408 -17.492 -27.283 1.00 2.13 H new ATOM 0 HB3 ALA A 58 27.675 -19.167 -27.820 1.00 2.13 H new ATOM 519 N ILE A 59 26.023 -20.000 -30.441 1.00 62.31 N ATOM 520 CA ILE A 59 26.175 -20.891 -31.585 1.00 11.20 C ATOM 521 C ILE A 59 25.006 -20.781 -32.548 1.00 12.31 C ATOM 522 O ILE A 59 25.186 -20.735 -33.764 1.00 31.03 O ATOM 523 CB ILE A 59 26.311 -22.349 -31.123 1.00 73.21 C ATOM 524 CG1 ILE A 59 25.054 -22.816 -30.387 1.00 10.52 C ATOM 525 CG2 ILE A 59 27.522 -22.478 -30.232 1.00 15.42 C ATOM 526 CD1 ILE A 59 24.019 -23.447 -31.292 1.00 53.14 C ATOM 0 H ILE A 59 25.404 -20.354 -29.712 1.00 62.31 H new ATOM 0 HA ILE A 59 27.082 -20.584 -32.106 1.00 11.20 H new ATOM 0 HB ILE A 59 26.434 -22.985 -32.000 1.00 73.21 H new ATOM 0 HG12 ILE A 59 25.339 -23.535 -29.619 1.00 10.52 H new ATOM 0 HG13 ILE A 59 24.606 -21.964 -29.875 1.00 10.52 H new ATOM 0 HG21 ILE A 59 27.622 -23.512 -29.902 1.00 15.42 H new ATOM 0 HG22 ILE A 59 28.414 -22.186 -30.786 1.00 15.42 H new ATOM 0 HG23 ILE A 59 27.406 -21.829 -29.364 1.00 15.42 H new ATOM 0 HD11 ILE A 59 23.156 -23.753 -30.700 1.00 53.14 H new ATOM 0 HD12 ILE A 59 23.704 -22.724 -32.045 1.00 53.14 H new ATOM 0 HD13 ILE A 59 24.449 -24.319 -31.784 1.00 53.14 H new ATOM 538 N GLY A 60 23.811 -20.740 -31.991 1.00 12.23 N ATOM 539 CA GLY A 60 22.618 -20.633 -32.801 1.00 73.22 C ATOM 540 C GLY A 60 21.768 -19.454 -32.395 1.00 21.12 C ATOM 541 O GLY A 60 20.699 -19.226 -32.960 1.00 25.40 O ATOM 0 H GLY A 60 23.643 -20.779 -30.986 1.00 12.23 H new ATOM 0 HA2 GLY A 60 22.898 -20.535 -33.850 1.00 73.22 H new ATOM 0 HA3 GLY A 60 22.035 -21.549 -32.712 1.00 73.22 H new ATOM 545 N LYS A 61 22.242 -18.698 -31.408 1.00 32.55 N ATOM 546 CA LYS A 61 21.503 -17.529 -30.932 1.00 62.13 C ATOM 547 C LYS A 61 20.069 -17.903 -30.562 1.00 12.11 C ATOM 548 O LYS A 61 19.273 -16.983 -30.282 1.00 24.03 O ATOM 549 CB LYS A 61 21.499 -16.434 -32.001 1.00 34.44 C ATOM 550 CG LYS A 61 22.481 -15.309 -31.725 1.00 34.14 C ATOM 551 CD LYS A 61 21.975 -14.385 -30.628 1.00 13.14 C ATOM 552 CE LYS A 61 20.806 -13.537 -31.105 1.00 0.41 C ATOM 553 NZ LYS A 61 19.596 -13.732 -30.260 1.00 24.42 N ATOM 554 OXT LYS A 61 19.756 -19.113 -30.556 1.00 37.43 O ATOM 0 H LYS A 61 23.124 -18.870 -30.926 1.00 32.55 H new ATOM 0 HA LYS A 61 22.002 -17.153 -30.038 1.00 62.13 H new ATOM 0 HB2 LYS A 61 21.734 -16.881 -32.967 1.00 34.44 H new ATOM 0 HB3 LYS A 61 20.495 -16.017 -32.078 1.00 34.44 H new ATOM 0 HG2 LYS A 61 23.444 -15.728 -31.434 1.00 34.14 H new ATOM 0 HG3 LYS A 61 22.646 -14.736 -32.638 1.00 34.14 H new ATOM 0 HD2 LYS A 61 21.668 -14.977 -29.766 1.00 13.14 H new ATOM 0 HD3 LYS A 61 22.785 -13.735 -30.296 1.00 13.14 H new ATOM 0 HE2 LYS A 61 21.092 -12.485 -31.092 1.00 0.41 H new ATOM 0 HE3 LYS A 61 20.571 -13.791 -32.139 1.00 0.41 H new ATOM 0 HZ1 LYS A 61 18.791 -13.230 -30.686 1.00 24.42 H new ATOM 0 HZ2 LYS A 61 19.377 -14.747 -30.196 1.00 24.42 H new ATOM 0 HZ3 LYS A 61 19.774 -13.355 -29.307 1.00 24.42 H new