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+ -167:sc= 0 (180deg=-0.0912) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 1.706 -0.202 -0.704 1.00 13.00 N ATOM 2 CA GLY A 26 1.987 -0.362 -2.158 1.00 45.03 C ATOM 3 C GLY A 26 2.617 -1.703 -2.483 1.00 2.14 C ATOM 4 O GLY A 26 3.669 -2.049 -1.945 1.00 25.21 O ATOM 0 HA2 GLY A 26 1.058 -0.255 -2.718 1.00 45.03 H new ATOM 0 HA3 GLY A 26 2.651 0.437 -2.487 1.00 45.03 H new ATOM 10 N GLY A 27 1.969 -2.459 -3.364 1.00 34.41 N ATOM 11 CA GLY A 27 2.487 -3.760 -3.744 1.00 41.13 C ATOM 12 C GLY A 27 3.653 -3.666 -4.710 1.00 55.21 C ATOM 13 O GLY A 27 4.448 -4.599 -4.820 1.00 55.24 O ATOM 0 H GLY A 27 1.096 -2.194 -3.821 1.00 34.41 H new ATOM 0 HA2 GLY A 27 2.804 -4.296 -2.849 1.00 41.13 H new ATOM 0 HA3 GLY A 27 1.689 -4.345 -4.200 1.00 41.13 H new ATOM 17 N LEU A 28 3.757 -2.538 -5.411 1.00 51.21 N ATOM 18 CA LEU A 28 4.839 -2.328 -6.372 1.00 65.24 C ATOM 19 C LEU A 28 6.181 -2.727 -5.774 1.00 60.22 C ATOM 20 O LEU A 28 6.849 -3.637 -6.266 1.00 23.24 O ATOM 21 CB LEU A 28 4.885 -0.861 -6.804 1.00 12.24 C ATOM 22 CG LEU A 28 6.039 -0.486 -7.741 1.00 74.41 C ATOM 23 CD1 LEU A 28 7.287 -0.152 -6.938 1.00 5.53 C ATOM 24 CD2 LEU A 28 6.324 -1.612 -8.725 1.00 43.31 C ATOM 0 H LEU A 28 3.106 -1.756 -5.332 1.00 51.21 H new ATOM 0 HA LEU A 28 4.644 -2.955 -7.242 1.00 65.24 H new ATOM 0 HB2 LEU A 28 3.945 -0.616 -7.298 1.00 12.24 H new ATOM 0 HB3 LEU A 28 4.948 -0.239 -5.911 1.00 12.24 H new ATOM 0 HG LEU A 28 5.745 0.396 -8.309 1.00 74.41 H new ATOM 0 HD11 LEU A 28 8.097 0.112 -7.618 1.00 5.53 H new ATOM 0 HD12 LEU A 28 7.080 0.689 -6.276 1.00 5.53 H new ATOM 0 HD13 LEU A 28 7.580 -1.018 -6.344 1.00 5.53 H new ATOM 0 HD21 LEU A 28 7.146 -1.324 -9.380 1.00 43.31 H new ATOM 0 HD22 LEU A 28 6.596 -2.514 -8.177 1.00 43.31 H new ATOM 0 HD23 LEU A 28 5.434 -1.806 -9.324 1.00 43.31 H new ATOM 36 N LYS A 29 6.560 -2.047 -4.701 1.00 34.14 N ATOM 37 CA LYS A 29 7.815 -2.336 -4.018 1.00 55.42 C ATOM 38 C LYS A 29 7.826 -3.775 -3.512 1.00 33.14 C ATOM 39 O LYS A 29 8.886 -4.366 -3.307 1.00 33.10 O ATOM 40 CB LYS A 29 8.022 -1.366 -2.851 1.00 63.04 C ATOM 41 CG LYS A 29 9.432 -0.803 -2.771 1.00 1.12 C ATOM 42 CD LYS A 29 9.466 0.674 -3.131 1.00 21.15 C ATOM 43 CE LYS A 29 10.891 1.170 -3.314 1.00 52.45 C ATOM 44 NZ LYS A 29 11.394 1.877 -2.103 1.00 3.30 N ATOM 0 H LYS A 29 6.017 -1.291 -4.284 1.00 34.14 H new ATOM 0 HA LYS A 29 8.632 -2.209 -4.729 1.00 55.42 H new ATOM 0 HB2 LYS A 29 7.315 -0.542 -2.945 1.00 63.04 H new ATOM 0 HB3 LYS A 29 7.791 -1.879 -1.917 1.00 63.04 H new ATOM 0 HG2 LYS A 29 9.823 -0.942 -1.763 1.00 1.12 H new ATOM 0 HG3 LYS A 29 10.085 -1.358 -3.445 1.00 1.12 H new ATOM 0 HD2 LYS A 29 8.902 0.839 -4.049 1.00 21.15 H new ATOM 0 HD3 LYS A 29 8.976 1.252 -2.347 1.00 21.15 H new ATOM 0 HE2 LYS A 29 11.543 0.326 -3.538 1.00 52.45 H new ATOM 0 HE3 LYS A 29 10.934 1.842 -4.171 1.00 52.45 H new ATOM 0 HZ1 LYS A 29 12.369 2.199 -2.269 1.00 3.30 H new ATOM 0 HZ2 LYS A 29 10.787 2.698 -1.903 1.00 3.30 H new ATOM 0 HZ3 LYS A 29 11.378 1.228 -1.290 1.00 3.30 H new ATOM 58 N LYS A 30 6.634 -4.333 -3.313 1.00 44.31 N ATOM 59 CA LYS A 30 6.493 -5.701 -2.832 1.00 21.23 C ATOM 60 C LYS A 30 6.933 -6.703 -3.896 1.00 72.41 C ATOM 61 O LYS A 30 7.591 -7.697 -3.592 1.00 30.54 O ATOM 62 CB LYS A 30 5.041 -5.972 -2.431 1.00 15.45 C ATOM 63 CG LYS A 30 4.901 -6.941 -1.269 1.00 62.45 C ATOM 64 CD LYS A 30 3.457 -7.374 -1.075 1.00 63.23 C ATOM 65 CE LYS A 30 3.224 -8.787 -1.586 1.00 1.15 C ATOM 66 NZ LYS A 30 2.243 -9.528 -0.746 1.00 20.21 N ATOM 0 H LYS A 30 5.749 -3.854 -3.479 1.00 44.31 H new ATOM 0 HA LYS A 30 7.135 -5.821 -1.960 1.00 21.23 H new ATOM 0 HB2 LYS A 30 4.564 -5.028 -2.166 1.00 15.45 H new ATOM 0 HB3 LYS A 30 4.503 -6.370 -3.292 1.00 15.45 H new ATOM 0 HG2 LYS A 30 5.524 -7.818 -1.448 1.00 62.45 H new ATOM 0 HG3 LYS A 30 5.267 -6.471 -0.356 1.00 62.45 H new ATOM 0 HD2 LYS A 30 3.200 -7.322 -0.017 1.00 63.23 H new ATOM 0 HD3 LYS A 30 2.796 -6.683 -1.598 1.00 63.23 H new ATOM 0 HE2 LYS A 30 2.864 -8.746 -2.614 1.00 1.15 H new ATOM 0 HE3 LYS A 30 4.170 -9.328 -1.601 1.00 1.15 H new ATOM 0 HZ1 LYS A 30 2.113 -10.486 -1.128 1.00 20.21 H new ATOM 0 HZ2 LYS A 30 2.598 -9.590 0.230 1.00 20.21 H new ATOM 0 HZ3 LYS A 30 1.332 -9.026 -0.752 1.00 20.21 H new ATOM 80 N LEU A 31 6.562 -6.434 -5.144 1.00 34.53 N ATOM 81 CA LEU A 31 6.915 -7.313 -6.253 1.00 73.01 C ATOM 82 C LEU A 31 8.352 -7.072 -6.707 1.00 33.51 C ATOM 83 O LEU A 31 9.053 -8.003 -7.104 1.00 54.22 O ATOM 84 CB LEU A 31 5.955 -7.099 -7.426 1.00 4.10 C ATOM 85 CG LEU A 31 6.286 -7.898 -8.688 1.00 74.34 C ATOM 86 CD1 LEU A 31 6.246 -9.390 -8.399 1.00 32.42 C ATOM 87 CD2 LEU A 31 5.321 -7.543 -9.809 1.00 55.24 C ATOM 0 H LEU A 31 6.017 -5.615 -5.412 1.00 34.53 H new ATOM 0 HA LEU A 31 6.832 -8.343 -5.906 1.00 73.01 H new ATOM 0 HB2 LEU A 31 4.947 -7.360 -7.103 1.00 4.10 H new ATOM 0 HB3 LEU A 31 5.944 -6.039 -7.678 1.00 4.10 H new ATOM 0 HG LEU A 31 7.295 -7.638 -9.008 1.00 74.34 H new ATOM 0 HD11 LEU A 31 6.484 -9.943 -9.308 1.00 32.42 H new ATOM 0 HD12 LEU A 31 6.976 -9.631 -7.626 1.00 32.42 H new ATOM 0 HD13 LEU A 31 5.249 -9.668 -8.056 1.00 32.42 H new ATOM 0 HD21 LEU A 31 5.570 -8.120 -10.700 1.00 55.24 H new ATOM 0 HD22 LEU A 31 4.302 -7.775 -9.499 1.00 55.24 H new ATOM 0 HD23 LEU A 31 5.399 -6.479 -10.032 1.00 55.24 H new ATOM 99 N GLY A 32 8.782 -5.817 -6.648 1.00 60.32 N ATOM 100 CA GLY A 32 10.131 -5.472 -7.060 1.00 14.44 C ATOM 101 C GLY A 32 11.191 -6.007 -6.114 1.00 70.01 C ATOM 102 O GLY A 32 12.350 -6.158 -6.496 1.00 31.33 O ATOM 0 H GLY A 32 8.220 -5.031 -6.322 1.00 60.32 H new ATOM 0 HA2 GLY A 32 10.312 -5.865 -8.060 1.00 14.44 H new ATOM 0 HA3 GLY A 32 10.221 -4.387 -7.123 1.00 14.44 H new ATOM 106 N LYS A 33 10.797 -6.289 -4.876 1.00 73.15 N ATOM 107 CA LYS A 33 11.728 -6.805 -3.878 1.00 31.34 C ATOM 108 C LYS A 33 11.703 -8.331 -3.838 1.00 45.52 C ATOM 109 O LYS A 33 12.749 -8.976 -3.762 1.00 22.25 O ATOM 110 CB LYS A 33 11.388 -6.240 -2.496 1.00 11.20 C ATOM 111 CG LYS A 33 12.608 -5.833 -1.687 1.00 11.11 C ATOM 112 CD LYS A 33 12.230 -4.918 -0.532 1.00 34.31 C ATOM 113 CE LYS A 33 13.404 -4.055 -0.097 1.00 71.24 C ATOM 114 NZ LYS A 33 13.377 -3.778 1.365 1.00 32.12 N ATOM 0 H LYS A 33 9.841 -6.169 -4.540 1.00 73.15 H new ATOM 0 HA LYS A 33 12.732 -6.488 -4.158 1.00 31.34 H new ATOM 0 HB2 LYS A 33 10.738 -5.374 -2.617 1.00 11.20 H new ATOM 0 HB3 LYS A 33 10.824 -6.986 -1.936 1.00 11.20 H new ATOM 0 HG2 LYS A 33 13.103 -6.724 -1.300 1.00 11.11 H new ATOM 0 HG3 LYS A 33 13.323 -5.327 -2.335 1.00 11.11 H new ATOM 0 HD2 LYS A 33 11.398 -4.279 -0.830 1.00 34.31 H new ATOM 0 HD3 LYS A 33 11.886 -5.517 0.311 1.00 34.31 H new ATOM 0 HE2 LYS A 33 14.338 -4.555 -0.355 1.00 71.24 H new ATOM 0 HE3 LYS A 33 13.385 -3.113 -0.645 1.00 71.24 H new ATOM 0 HZ1 LYS A 33 14.193 -3.187 1.622 1.00 32.12 H new ATOM 0 HZ2 LYS A 33 12.498 -3.278 1.607 1.00 32.12 H new ATOM 0 HZ3 LYS A 33 13.421 -4.675 1.889 1.00 32.12 H new ATOM 128 N LYS A 34 10.503 -8.902 -3.886 1.00 4.41 N ATOM 129 CA LYS A 34 10.345 -10.352 -3.851 1.00 22.33 C ATOM 130 C LYS A 34 11.084 -11.011 -5.011 1.00 14.12 C ATOM 131 O LYS A 34 11.857 -11.950 -4.818 1.00 2.24 O ATOM 132 CB LYS A 34 8.859 -10.724 -3.892 1.00 25.24 C ATOM 133 CG LYS A 34 8.195 -10.508 -5.244 1.00 20.43 C ATOM 134 CD LYS A 34 6.693 -10.735 -5.172 1.00 1.20 C ATOM 135 CE LYS A 34 6.350 -12.215 -5.233 1.00 11.54 C ATOM 136 NZ LYS A 34 5.966 -12.751 -3.898 1.00 34.34 N ATOM 0 H LYS A 34 9.627 -8.383 -3.949 1.00 4.41 H new ATOM 0 HA LYS A 34 10.778 -10.718 -2.920 1.00 22.33 H new ATOM 0 HB2 LYS A 34 8.751 -11.772 -3.611 1.00 25.24 H new ATOM 0 HB3 LYS A 34 8.329 -10.137 -3.142 1.00 25.24 H new ATOM 0 HG2 LYS A 34 8.394 -9.494 -5.590 1.00 20.43 H new ATOM 0 HG3 LYS A 34 8.631 -11.186 -5.977 1.00 20.43 H new ATOM 0 HD2 LYS A 34 6.303 -10.308 -4.248 1.00 1.20 H new ATOM 0 HD3 LYS A 34 6.205 -10.213 -5.995 1.00 1.20 H new ATOM 0 HE2 LYS A 34 5.531 -12.369 -5.935 1.00 11.54 H new ATOM 0 HE3 LYS A 34 7.206 -12.771 -5.615 1.00 11.54 H new ATOM 0 HZ1 LYS A 34 5.740 -13.763 -3.982 1.00 34.34 H new ATOM 0 HZ2 LYS A 34 6.757 -12.627 -3.234 1.00 34.34 H new ATOM 0 HZ3 LYS A 34 5.133 -12.238 -3.544 1.00 34.34 H new ATOM 150 N LEU A 35 10.833 -10.514 -6.212 1.00 61.42 N ATOM 151 CA LEU A 35 11.464 -11.047 -7.413 1.00 13.04 C ATOM 152 C LEU A 35 12.981 -10.902 -7.346 1.00 2.23 C ATOM 153 O LEU A 35 13.717 -11.854 -7.603 1.00 71.34 O ATOM 154 CB LEU A 35 10.932 -10.327 -8.655 1.00 63.12 C ATOM 155 CG LEU A 35 10.990 -11.132 -9.958 1.00 42.30 C ATOM 156 CD1 LEU A 35 10.757 -10.222 -11.152 1.00 3.25 C ATOM 157 CD2 LEU A 35 12.326 -11.850 -10.090 1.00 42.04 C ATOM 0 H LEU A 35 10.193 -9.738 -6.383 1.00 61.42 H new ATOM 0 HA LEU A 35 11.220 -12.107 -7.478 1.00 13.04 H new ATOM 0 HB2 LEU A 35 9.897 -10.039 -8.472 1.00 63.12 H new ATOM 0 HB3 LEU A 35 11.499 -9.406 -8.791 1.00 63.12 H new ATOM 0 HG LEU A 35 10.200 -11.883 -9.932 1.00 42.30 H new ATOM 0 HD11 LEU A 35 10.801 -10.808 -12.070 1.00 3.25 H new ATOM 0 HD12 LEU A 35 9.776 -9.754 -11.067 1.00 3.25 H new ATOM 0 HD13 LEU A 35 11.526 -9.450 -11.177 1.00 3.25 H new ATOM 0 HD21 LEU A 35 12.345 -12.415 -11.022 1.00 42.04 H new ATOM 0 HD22 LEU A 35 13.134 -11.118 -10.093 1.00 42.04 H new ATOM 0 HD23 LEU A 35 12.457 -12.532 -9.250 1.00 42.04 H new ATOM 169 N GLU A 36 13.439 -9.702 -7.005 1.00 33.40 N ATOM 170 CA GLU A 36 14.868 -9.428 -6.912 1.00 5.54 C ATOM 171 C GLU A 36 15.550 -10.381 -5.934 1.00 54.13 C ATOM 172 O GLU A 36 16.615 -10.925 -6.224 1.00 33.22 O ATOM 173 CB GLU A 36 15.100 -7.978 -6.479 1.00 34.52 C ATOM 174 CG GLU A 36 15.982 -7.192 -7.433 1.00 54.23 C ATOM 175 CD GLU A 36 17.456 -7.496 -7.250 1.00 41.15 C ATOM 176 OE1 GLU A 36 18.103 -6.820 -6.423 1.00 10.23 O ATOM 177 OE2 GLU A 36 17.963 -8.411 -7.933 1.00 40.14 O ATOM 0 H GLU A 36 12.841 -8.904 -6.789 1.00 33.40 H new ATOM 0 HA GLU A 36 15.306 -9.583 -7.898 1.00 5.54 H new ATOM 0 HB2 GLU A 36 14.137 -7.476 -6.391 1.00 34.52 H new ATOM 0 HB3 GLU A 36 15.555 -7.972 -5.488 1.00 34.52 H new ATOM 0 HG2 GLU A 36 15.693 -7.419 -8.459 1.00 54.23 H new ATOM 0 HG3 GLU A 36 15.813 -6.126 -7.282 1.00 54.23 H new ATOM 184 N GLY A 37 14.930 -10.575 -4.774 1.00 11.05 N ATOM 185 CA GLY A 37 15.492 -11.460 -3.768 1.00 30.20 C ATOM 186 C GLY A 37 15.852 -12.824 -4.323 1.00 60.14 C ATOM 187 O GLY A 37 16.922 -13.358 -4.029 1.00 60.41 O ATOM 0 H GLY A 37 14.048 -10.135 -4.512 1.00 11.05 H new ATOM 0 HA2 GLY A 37 16.383 -10.999 -3.342 1.00 30.20 H new ATOM 0 HA3 GLY A 37 14.776 -11.581 -2.955 1.00 30.20 H new ATOM 191 N ALA A 38 14.958 -13.389 -5.126 1.00 23.13 N ATOM 192 CA ALA A 38 15.189 -14.698 -5.724 1.00 12.15 C ATOM 193 C ALA A 38 16.353 -14.649 -6.708 1.00 21.11 C ATOM 194 O ALA A 38 17.253 -15.488 -6.666 1.00 34.14 O ATOM 195 CB ALA A 38 13.929 -15.193 -6.416 1.00 51.15 C ATOM 0 H ALA A 38 14.067 -12.961 -5.378 1.00 23.13 H new ATOM 0 HA ALA A 38 15.447 -15.396 -4.928 1.00 12.15 H new ATOM 0 HB1 ALA A 38 14.117 -16.172 -6.858 1.00 51.15 H new ATOM 0 HB2 ALA A 38 13.121 -15.273 -5.688 1.00 51.15 H new ATOM 0 HB3 ALA A 38 13.644 -14.490 -7.199 1.00 51.15 H new ATOM 201 N GLY A 39 16.326 -13.659 -7.594 1.00 13.34 N ATOM 202 CA GLY A 39 17.380 -13.510 -8.580 1.00 63.23 C ATOM 203 C GLY A 39 18.760 -13.453 -7.955 1.00 30.42 C ATOM 204 O GLY A 39 19.722 -13.969 -8.520 1.00 12.43 O ATOM 0 H GLY A 39 15.590 -12.955 -7.647 1.00 13.34 H new ATOM 0 HA2 GLY A 39 17.337 -14.344 -9.281 1.00 63.23 H new ATOM 0 HA3 GLY A 39 17.208 -12.600 -9.155 1.00 63.23 H new ATOM 208 N LYS A 40 18.858 -12.828 -6.785 1.00 44.01 N ATOM 209 CA LYS A 40 20.139 -12.717 -6.092 1.00 20.55 C ATOM 210 C LYS A 40 20.664 -14.097 -5.722 1.00 13.13 C ATOM 211 O LYS A 40 21.861 -14.350 -5.789 1.00 65.21 O ATOM 212 CB LYS A 40 20.014 -11.856 -4.832 1.00 13.50 C ATOM 213 CG LYS A 40 19.028 -10.705 -4.963 1.00 73.44 C ATOM 214 CD LYS A 40 19.557 -9.439 -4.307 1.00 21.50 C ATOM 215 CE LYS A 40 20.484 -8.674 -5.237 1.00 23.34 C ATOM 216 NZ LYS A 40 20.995 -7.425 -4.608 1.00 1.21 N ATOM 0 H LYS A 40 18.073 -12.394 -6.300 1.00 44.01 H new ATOM 0 HA LYS A 40 20.843 -12.235 -6.770 1.00 20.55 H new ATOM 0 HB2 LYS A 40 19.708 -12.490 -4.000 1.00 13.50 H new ATOM 0 HB3 LYS A 40 20.995 -11.453 -4.581 1.00 13.50 H new ATOM 0 HG2 LYS A 40 18.829 -10.514 -6.017 1.00 73.44 H new ATOM 0 HG3 LYS A 40 18.079 -10.984 -4.505 1.00 73.44 H new ATOM 0 HD2 LYS A 40 18.721 -8.801 -4.019 1.00 21.50 H new ATOM 0 HD3 LYS A 40 20.090 -9.698 -3.392 1.00 21.50 H new ATOM 0 HE2 LYS A 40 21.324 -9.310 -5.516 1.00 23.34 H new ATOM 0 HE3 LYS A 40 19.953 -8.427 -6.156 1.00 23.34 H new ATOM 0 HZ1 LYS A 40 21.623 -6.933 -5.275 1.00 1.21 H new ATOM 0 HZ2 LYS A 40 20.195 -6.806 -4.365 1.00 1.21 H new ATOM 0 HZ3 LYS A 40 21.524 -7.662 -3.745 1.00 1.21 H new ATOM 230 N ARG A 41 19.755 -14.986 -5.337 1.00 61.42 N ATOM 231 CA ARG A 41 20.126 -16.348 -4.970 1.00 31.44 C ATOM 232 C ARG A 41 20.289 -17.207 -6.219 1.00 74.51 C ATOM 233 O ARG A 41 21.311 -17.863 -6.414 1.00 24.22 O ATOM 234 CB ARG A 41 19.062 -16.962 -4.054 1.00 32.04 C ATOM 235 CG ARG A 41 19.260 -18.450 -3.790 1.00 30.14 C ATOM 236 CD ARG A 41 18.652 -19.303 -4.896 1.00 72.23 C ATOM 237 NE ARG A 41 18.308 -20.642 -4.423 1.00 73.21 N ATOM 238 CZ ARG A 41 18.134 -21.691 -5.226 1.00 74.42 C ATOM 239 NH1 ARG A 41 18.266 -21.560 -6.540 1.00 12.31 N ATOM 240 NH2 ARG A 41 17.827 -22.873 -4.712 1.00 73.32 N ATOM 0 H ARG A 41 18.757 -14.788 -5.271 1.00 61.42 H new ATOM 0 HA ARG A 41 21.076 -16.314 -4.436 1.00 31.44 H new ATOM 0 HB2 ARG A 41 19.065 -16.430 -3.102 1.00 32.04 H new ATOM 0 HB3 ARG A 41 18.080 -16.810 -4.501 1.00 32.04 H new ATOM 0 HG2 ARG A 41 20.325 -18.667 -3.707 1.00 30.14 H new ATOM 0 HG3 ARG A 41 18.806 -18.714 -2.835 1.00 30.14 H new ATOM 0 HD2 ARG A 41 17.758 -18.813 -5.282 1.00 72.23 H new ATOM 0 HD3 ARG A 41 19.356 -19.380 -5.724 1.00 72.23 H new ATOM 0 HE ARG A 41 18.194 -20.782 -3.419 1.00 73.21 H new ATOM 0 HH11 ARG A 41 18.502 -20.652 -6.941 1.00 12.31 H new ATOM 0 HH12 ARG A 41 18.131 -22.367 -7.149 1.00 12.31 H new ATOM 0 HH21 ARG A 41 17.724 -22.979 -3.703 1.00 73.32 H new ATOM 0 HH22 ARG A 41 17.694 -23.677 -5.326 1.00 73.32 H new ATOM 254 N VAL A 42 19.256 -17.199 -7.052 1.00 20.15 N ATOM 255 CA VAL A 42 19.244 -17.975 -8.286 1.00 24.14 C ATOM 256 C VAL A 42 20.436 -17.643 -9.170 1.00 40.10 C ATOM 257 O VAL A 42 20.838 -18.447 -10.010 1.00 10.43 O ATOM 258 CB VAL A 42 17.952 -17.728 -9.079 1.00 75.02 C ATOM 259 CG1 VAL A 42 17.819 -18.724 -10.222 1.00 31.15 C ATOM 260 CG2 VAL A 42 16.748 -17.793 -8.156 1.00 72.44 C ATOM 0 H VAL A 42 18.407 -16.657 -6.893 1.00 20.15 H new ATOM 0 HA VAL A 42 19.301 -19.024 -7.997 1.00 24.14 H new ATOM 0 HB VAL A 42 17.998 -16.729 -9.513 1.00 75.02 H new ATOM 0 HG11 VAL A 42 16.897 -18.529 -10.769 1.00 31.15 H new ATOM 0 HG12 VAL A 42 18.669 -18.620 -10.896 1.00 31.15 H new ATOM 0 HG13 VAL A 42 17.796 -19.737 -9.821 1.00 31.15 H new ATOM 0 HG21 VAL A 42 15.839 -17.616 -8.731 1.00 72.44 H new ATOM 0 HG22 VAL A 42 16.698 -18.778 -7.692 1.00 72.44 H new ATOM 0 HG23 VAL A 42 16.842 -17.031 -7.382 1.00 72.44 H new ATOM 270 N PHE A 43 21.004 -16.457 -8.981 1.00 71.55 N ATOM 271 CA PHE A 43 22.153 -16.038 -9.769 1.00 45.33 C ATOM 272 C PHE A 43 23.229 -17.124 -9.764 1.00 32.44 C ATOM 273 O PHE A 43 23.999 -17.252 -10.713 1.00 12.34 O ATOM 274 CB PHE A 43 22.708 -14.712 -9.235 1.00 23.11 C ATOM 275 CG PHE A 43 23.780 -14.864 -8.196 1.00 12.52 C ATOM 276 CD1 PHE A 43 23.579 -15.666 -7.086 1.00 0.25 C ATOM 277 CD2 PHE A 43 24.985 -14.199 -8.330 1.00 33.15 C ATOM 278 CE1 PHE A 43 24.563 -15.803 -6.127 1.00 1.32 C ATOM 279 CE2 PHE A 43 25.974 -14.331 -7.376 1.00 23.15 C ATOM 280 CZ PHE A 43 25.763 -15.134 -6.271 1.00 55.23 C ATOM 0 H PHE A 43 20.689 -15.774 -8.293 1.00 71.55 H new ATOM 0 HA PHE A 43 21.834 -15.884 -10.800 1.00 45.33 H new ATOM 0 HB2 PHE A 43 23.107 -14.136 -10.070 1.00 23.11 H new ATOM 0 HB3 PHE A 43 21.888 -14.133 -8.811 1.00 23.11 H new ATOM 0 HD1 PHE A 43 22.642 -16.190 -6.969 1.00 0.25 H new ATOM 0 HD2 PHE A 43 25.154 -13.569 -9.191 1.00 33.15 H new ATOM 0 HE1 PHE A 43 24.395 -16.432 -5.266 1.00 1.32 H new ATOM 0 HE2 PHE A 43 26.911 -13.808 -7.493 1.00 23.15 H new ATOM 0 HZ PHE A 43 26.534 -15.238 -5.522 1.00 55.23 H new ATOM 290 N LYS A 44 23.257 -17.917 -8.694 1.00 3.44 N ATOM 291 CA LYS A 44 24.219 -19.003 -8.571 1.00 53.22 C ATOM 292 C LYS A 44 23.764 -20.192 -9.406 1.00 34.11 C ATOM 293 O LYS A 44 24.579 -20.929 -9.960 1.00 52.14 O ATOM 294 CB LYS A 44 24.377 -19.415 -7.105 1.00 51.21 C ATOM 295 CG LYS A 44 25.714 -19.014 -6.501 1.00 45.31 C ATOM 296 CD LYS A 44 25.852 -19.514 -5.072 1.00 61.02 C ATOM 297 CE LYS A 44 26.547 -18.489 -4.189 1.00 11.43 C ATOM 298 NZ LYS A 44 28.024 -18.501 -4.381 1.00 34.10 N ATOM 0 H LYS A 44 22.622 -17.825 -7.901 1.00 3.44 H new ATOM 0 HA LYS A 44 25.186 -18.659 -8.938 1.00 53.22 H new ATOM 0 HB2 LYS A 44 23.574 -18.965 -6.521 1.00 51.21 H new ATOM 0 HB3 LYS A 44 24.261 -20.496 -7.025 1.00 51.21 H new ATOM 0 HG2 LYS A 44 26.524 -19.417 -7.108 1.00 45.31 H new ATOM 0 HG3 LYS A 44 25.812 -17.929 -6.519 1.00 45.31 H new ATOM 0 HD2 LYS A 44 24.865 -19.736 -4.666 1.00 61.02 H new ATOM 0 HD3 LYS A 44 26.417 -20.446 -5.064 1.00 61.02 H new ATOM 0 HE2 LYS A 44 26.160 -17.495 -4.413 1.00 11.43 H new ATOM 0 HE3 LYS A 44 26.315 -18.693 -3.144 1.00 11.43 H new ATOM 0 HZ1 LYS A 44 28.460 -17.789 -3.762 1.00 34.10 H new ATOM 0 HZ2 LYS A 44 28.397 -19.442 -4.143 1.00 34.10 H new ATOM 0 HZ3 LYS A 44 28.247 -18.281 -5.373 1.00 34.10 H new ATOM 312 N ALA A 45 22.448 -20.358 -9.501 1.00 71.31 N ATOM 313 CA ALA A 45 21.865 -21.438 -10.278 1.00 74.11 C ATOM 314 C ALA A 45 21.940 -21.119 -11.766 1.00 34.02 C ATOM 315 O ALA A 45 22.091 -22.012 -12.601 1.00 21.14 O ATOM 316 CB ALA A 45 20.422 -21.668 -9.852 1.00 32.43 C ATOM 0 H ALA A 45 21.765 -19.753 -9.045 1.00 71.31 H new ATOM 0 HA ALA A 45 22.431 -22.351 -10.094 1.00 74.11 H new ATOM 0 HB1 ALA A 45 19.994 -22.480 -10.440 1.00 32.43 H new ATOM 0 HB2 ALA A 45 20.392 -21.931 -8.795 1.00 32.43 H new ATOM 0 HB3 ALA A 45 19.845 -20.758 -10.015 1.00 32.43 H new ATOM 322 N SER A 46 21.837 -19.831 -12.087 1.00 62.31 N ATOM 323 CA SER A 46 21.895 -19.377 -13.470 1.00 40.20 C ATOM 324 C SER A 46 23.340 -19.176 -13.921 1.00 3.02 C ATOM 325 O SER A 46 23.734 -19.638 -14.992 1.00 54.12 O ATOM 326 CB SER A 46 21.111 -18.071 -13.632 1.00 63.35 C ATOM 327 OG SER A 46 19.969 -18.260 -14.449 1.00 32.43 O ATOM 0 H SER A 46 21.713 -19.083 -11.404 1.00 62.31 H new ATOM 0 HA SER A 46 21.444 -20.146 -14.097 1.00 40.20 H new ATOM 0 HB2 SER A 46 20.805 -17.703 -12.653 1.00 63.35 H new ATOM 0 HB3 SER A 46 21.755 -17.309 -14.072 1.00 63.35 H new ATOM 0 HG SER A 46 19.485 -17.412 -14.536 1.00 32.43 H new ATOM 333 N GLU A 47 24.128 -18.482 -13.100 1.00 32.01 N ATOM 334 CA GLU A 47 25.529 -18.222 -13.423 1.00 64.33 C ATOM 335 C GLU A 47 26.255 -19.516 -13.780 1.00 42.22 C ATOM 336 O GLU A 47 27.153 -19.524 -14.623 1.00 62.02 O ATOM 337 CB GLU A 47 26.240 -17.535 -12.254 1.00 2.35 C ATOM 338 CG GLU A 47 26.426 -18.430 -11.039 1.00 13.01 C ATOM 339 CD GLU A 47 27.667 -19.295 -11.138 1.00 15.32 C ATOM 340 OE1 GLU A 47 28.667 -18.832 -11.726 1.00 25.44 O ATOM 341 OE2 GLU A 47 27.638 -20.434 -10.629 1.00 24.51 O ATOM 0 H GLU A 47 23.821 -18.091 -12.209 1.00 32.01 H new ATOM 0 HA GLU A 47 25.551 -17.558 -14.287 1.00 64.33 H new ATOM 0 HB2 GLU A 47 27.216 -17.185 -12.589 1.00 2.35 H new ATOM 0 HB3 GLU A 47 25.669 -16.654 -11.961 1.00 2.35 H new ATOM 0 HG2 GLU A 47 26.489 -17.812 -10.143 1.00 13.01 H new ATOM 0 HG3 GLU A 47 25.550 -19.069 -10.925 1.00 13.01 H new ATOM 348 N LYS A 48 25.860 -20.606 -13.130 1.00 52.05 N ATOM 349 CA LYS A 48 26.474 -21.906 -13.374 1.00 11.14 C ATOM 350 C LYS A 48 26.178 -22.395 -14.788 1.00 13.33 C ATOM 351 O LYS A 48 27.036 -22.991 -15.439 1.00 32.32 O ATOM 352 CB LYS A 48 25.974 -22.929 -12.353 1.00 65.21 C ATOM 353 CG LYS A 48 27.067 -23.844 -11.824 1.00 21.22 C ATOM 354 CD LYS A 48 26.881 -24.138 -10.345 1.00 42.20 C ATOM 355 CE LYS A 48 28.061 -24.912 -9.779 1.00 33.15 C ATOM 356 NZ LYS A 48 27.798 -25.392 -8.394 1.00 25.23 N ATOM 0 H LYS A 48 25.118 -20.615 -12.431 1.00 52.05 H new ATOM 0 HA LYS A 48 27.553 -21.794 -13.268 1.00 11.14 H new ATOM 0 HB2 LYS A 48 25.517 -22.401 -11.516 1.00 65.21 H new ATOM 0 HB3 LYS A 48 25.194 -23.536 -12.812 1.00 65.21 H new ATOM 0 HG2 LYS A 48 27.063 -24.779 -12.385 1.00 21.22 H new ATOM 0 HG3 LYS A 48 28.040 -23.380 -11.984 1.00 21.22 H new ATOM 0 HD2 LYS A 48 26.762 -23.202 -9.799 1.00 42.20 H new ATOM 0 HD3 LYS A 48 25.965 -24.710 -10.199 1.00 42.20 H new ATOM 0 HE2 LYS A 48 28.279 -25.764 -10.423 1.00 33.15 H new ATOM 0 HE3 LYS A 48 28.946 -24.276 -9.781 1.00 33.15 H new ATOM 0 HZ1 LYS A 48 28.626 -25.915 -8.045 1.00 25.23 H new ATOM 0 HZ2 LYS A 48 27.615 -24.578 -7.773 1.00 25.23 H new ATOM 0 HZ3 LYS A 48 26.968 -26.019 -8.396 1.00 25.23 H new ATOM 370 N ALA A 49 24.961 -22.142 -15.258 1.00 33.43 N ATOM 371 CA ALA A 49 24.562 -22.562 -16.596 1.00 34.31 C ATOM 372 C ALA A 49 24.627 -21.415 -17.591 1.00 2.33 C ATOM 373 O ALA A 49 24.120 -21.538 -18.701 1.00 32.13 O ATOM 374 CB ALA A 49 23.165 -23.146 -16.583 1.00 4.03 C ATOM 0 H ALA A 49 24.237 -21.650 -14.735 1.00 33.43 H new ATOM 0 HA ALA A 49 25.269 -23.329 -16.913 1.00 34.31 H new ATOM 0 HB1 ALA A 49 22.889 -23.452 -17.592 1.00 4.03 H new ATOM 0 HB2 ALA A 49 23.139 -24.012 -15.921 1.00 4.03 H new ATOM 0 HB3 ALA A 49 22.460 -22.395 -16.226 1.00 4.03 H new ATOM 380 N LEU A 50 25.263 -20.304 -17.218 1.00 62.24 N ATOM 381 CA LEU A 50 25.375 -19.182 -18.141 1.00 55.14 C ATOM 382 C LEU A 50 26.045 -19.637 -19.427 1.00 75.11 C ATOM 383 O LEU A 50 25.592 -19.327 -20.520 1.00 40.30 O ATOM 384 CB LEU A 50 26.131 -18.003 -17.520 1.00 73.34 C ATOM 385 CG LEU A 50 26.387 -16.821 -18.454 1.00 61.02 C ATOM 386 CD1 LEU A 50 26.154 -15.505 -17.726 1.00 72.42 C ATOM 387 CD2 LEU A 50 27.802 -16.879 -19.010 1.00 1.32 C ATOM 0 H LEU A 50 25.697 -20.161 -16.306 1.00 62.24 H new ATOM 0 HA LEU A 50 24.368 -18.830 -18.367 1.00 55.14 H new ATOM 0 HB2 LEU A 50 25.568 -17.647 -16.657 1.00 73.34 H new ATOM 0 HB3 LEU A 50 27.090 -18.364 -17.148 1.00 73.34 H new ATOM 0 HG LEU A 50 25.686 -16.882 -19.287 1.00 61.02 H new ATOM 0 HD11 LEU A 50 26.341 -14.675 -18.407 1.00 72.42 H new ATOM 0 HD12 LEU A 50 25.123 -15.461 -17.375 1.00 72.42 H new ATOM 0 HD13 LEU A 50 26.831 -15.436 -16.874 1.00 72.42 H new ATOM 0 HD21 LEU A 50 27.967 -16.030 -19.673 1.00 1.32 H new ATOM 0 HD22 LEU A 50 28.517 -16.843 -18.189 1.00 1.32 H new ATOM 0 HD23 LEU A 50 27.936 -17.806 -19.567 1.00 1.32 H new ATOM 399 N PRO A 51 27.098 -20.440 -19.297 1.00 35.24 N ATOM 400 CA PRO A 51 27.801 -21.010 -20.440 1.00 52.42 C ATOM 401 C PRO A 51 26.887 -21.977 -21.183 1.00 74.04 C ATOM 402 O PRO A 51 27.049 -22.224 -22.378 1.00 13.35 O ATOM 403 CB PRO A 51 28.988 -21.766 -19.821 1.00 35.14 C ATOM 404 CG PRO A 51 28.990 -21.432 -18.362 1.00 54.14 C ATOM 405 CD PRO A 51 27.622 -20.906 -18.023 1.00 40.33 C ATOM 0 HA PRO A 51 28.119 -20.254 -21.158 1.00 52.42 H new ATOM 0 HB2 PRO A 51 28.885 -22.840 -19.973 1.00 35.14 H new ATOM 0 HB3 PRO A 51 29.926 -21.466 -20.289 1.00 35.14 H new ATOM 0 HG2 PRO A 51 29.221 -22.315 -17.766 1.00 54.14 H new ATOM 0 HG3 PRO A 51 29.754 -20.688 -18.139 1.00 54.14 H new ATOM 0 HD2 PRO A 51 26.991 -21.683 -17.592 1.00 40.33 H new ATOM 0 HD3 PRO A 51 27.675 -20.098 -17.294 1.00 40.33 H new ATOM 413 N VAL A 52 25.918 -22.514 -20.443 1.00 44.43 N ATOM 414 CA VAL A 52 24.946 -23.455 -20.978 1.00 24.35 C ATOM 415 C VAL A 52 23.664 -22.745 -21.399 1.00 75.25 C ATOM 416 O VAL A 52 22.820 -23.330 -22.074 1.00 42.24 O ATOM 417 CB VAL A 52 24.622 -24.546 -19.936 1.00 65.51 C ATOM 418 CG1 VAL A 52 23.433 -25.389 -20.360 1.00 12.35 C ATOM 419 CG2 VAL A 52 25.840 -25.421 -19.685 1.00 41.40 C ATOM 0 H VAL A 52 25.788 -22.305 -19.453 1.00 44.43 H new ATOM 0 HA VAL A 52 25.386 -23.921 -21.860 1.00 24.35 H new ATOM 0 HB VAL A 52 24.354 -24.046 -19.005 1.00 65.51 H new ATOM 0 HG11 VAL A 52 23.235 -26.146 -19.602 1.00 12.35 H new ATOM 0 HG12 VAL A 52 22.557 -24.751 -20.473 1.00 12.35 H new ATOM 0 HG13 VAL A 52 23.653 -25.876 -21.310 1.00 12.35 H new ATOM 0 HG21 VAL A 52 25.593 -26.185 -18.948 1.00 41.40 H new ATOM 0 HG22 VAL A 52 26.142 -25.900 -20.616 1.00 41.40 H new ATOM 0 HG23 VAL A 52 26.659 -24.806 -19.311 1.00 41.40 H new ATOM 429 N VAL A 53 23.542 -21.482 -21.017 1.00 43.21 N ATOM 430 CA VAL A 53 22.389 -20.671 -21.375 1.00 62.34 C ATOM 431 C VAL A 53 22.792 -19.707 -22.480 1.00 5.13 C ATOM 432 O VAL A 53 21.980 -19.314 -23.318 1.00 32.24 O ATOM 433 CB VAL A 53 21.855 -19.878 -20.165 1.00 63.05 C ATOM 434 CG1 VAL A 53 20.660 -19.024 -20.563 1.00 44.45 C ATOM 435 CG2 VAL A 53 21.492 -20.821 -19.026 1.00 40.33 C ATOM 0 H VAL A 53 24.237 -20.993 -20.453 1.00 43.21 H new ATOM 0 HA VAL A 53 21.592 -21.332 -21.716 1.00 62.34 H new ATOM 0 HB VAL A 53 22.644 -19.211 -19.818 1.00 63.05 H new ATOM 0 HG11 VAL A 53 20.300 -18.474 -19.694 1.00 44.45 H new ATOM 0 HG12 VAL A 53 20.958 -18.320 -21.340 1.00 44.45 H new ATOM 0 HG13 VAL A 53 19.864 -19.666 -20.941 1.00 44.45 H new ATOM 0 HG21 VAL A 53 21.117 -20.244 -18.181 1.00 40.33 H new ATOM 0 HG22 VAL A 53 20.722 -21.516 -19.361 1.00 40.33 H new ATOM 0 HG23 VAL A 53 22.377 -21.379 -18.720 1.00 40.33 H new ATOM 445 N VAL A 54 24.075 -19.351 -22.476 1.00 41.11 N ATOM 446 CA VAL A 54 24.636 -18.459 -23.469 1.00 54.13 C ATOM 447 C VAL A 54 24.978 -19.220 -24.729 1.00 54.54 C ATOM 448 O VAL A 54 24.737 -18.749 -25.831 1.00 63.44 O ATOM 449 CB VAL A 54 25.911 -17.763 -22.952 1.00 33.04 C ATOM 450 CG1 VAL A 54 25.646 -17.027 -21.646 1.00 4.51 C ATOM 451 CG2 VAL A 54 27.044 -18.767 -22.778 1.00 21.31 C ATOM 0 H VAL A 54 24.748 -19.676 -21.782 1.00 41.11 H new ATOM 0 HA VAL A 54 23.881 -17.702 -23.681 1.00 54.13 H new ATOM 0 HB VAL A 54 26.213 -17.028 -23.698 1.00 33.04 H new ATOM 0 HG11 VAL A 54 26.564 -16.546 -21.307 1.00 4.51 H new ATOM 0 HG12 VAL A 54 24.877 -16.271 -21.804 1.00 4.51 H new ATOM 0 HG13 VAL A 54 25.307 -17.736 -20.891 1.00 4.51 H new ATOM 0 HG21 VAL A 54 27.933 -18.253 -22.412 1.00 21.31 H new ATOM 0 HG22 VAL A 54 26.746 -19.531 -22.060 1.00 21.31 H new ATOM 0 HG23 VAL A 54 27.265 -19.236 -23.737 1.00 21.31 H new ATOM 461 N GLY A 55 25.545 -20.404 -24.555 1.00 73.45 N ATOM 462 CA GLY A 55 25.913 -21.218 -25.692 1.00 73.41 C ATOM 463 C GLY A 55 24.809 -21.290 -26.720 1.00 21.22 C ATOM 464 O GLY A 55 25.069 -21.435 -27.908 1.00 65.35 O ATOM 0 H GLY A 55 25.757 -20.815 -23.646 1.00 73.45 H new ATOM 0 HA2 GLY A 55 26.812 -20.810 -26.154 1.00 73.41 H new ATOM 0 HA3 GLY A 55 26.158 -22.224 -25.353 1.00 73.41 H new ATOM 468 N ILE A 56 23.572 -21.166 -26.261 1.00 25.14 N ATOM 469 CA ILE A 56 22.429 -21.197 -27.172 1.00 11.43 C ATOM 470 C ILE A 56 22.160 -19.799 -27.699 1.00 23.31 C ATOM 471 O ILE A 56 21.788 -19.616 -28.860 1.00 45.33 O ATOM 472 CB ILE A 56 21.150 -21.733 -26.496 1.00 73.02 C ATOM 473 CG1 ILE A 56 21.498 -22.753 -25.414 1.00 23.34 C ATOM 474 CG2 ILE A 56 20.221 -22.349 -27.532 1.00 3.41 C ATOM 475 CD1 ILE A 56 21.563 -22.146 -24.034 1.00 52.11 C ATOM 0 H ILE A 56 23.332 -21.044 -25.277 1.00 25.14 H new ATOM 0 HA ILE A 56 22.685 -21.875 -27.986 1.00 11.43 H new ATOM 0 HB ILE A 56 20.635 -20.897 -26.023 1.00 73.02 H new ATOM 0 HG12 ILE A 56 20.754 -23.550 -25.420 1.00 23.34 H new ATOM 0 HG13 ILE A 56 22.458 -23.212 -25.649 1.00 23.34 H new ATOM 0 HG21 ILE A 56 19.323 -22.723 -27.039 1.00 3.41 H new ATOM 0 HG22 ILE A 56 19.944 -21.593 -28.267 1.00 3.41 H new ATOM 0 HG23 ILE A 56 20.730 -23.173 -28.033 1.00 3.41 H new ATOM 0 HD11 ILE A 56 21.814 -22.919 -23.308 1.00 52.11 H new ATOM 0 HD12 ILE A 56 22.326 -21.368 -24.014 1.00 52.11 H new ATOM 0 HD13 ILE A 56 20.596 -21.712 -23.782 1.00 52.11 H new ATOM 487 N LYS A 57 22.377 -18.811 -26.843 1.00 1.15 N ATOM 488 CA LYS A 57 22.193 -17.421 -27.222 1.00 25.23 C ATOM 489 C LYS A 57 23.403 -16.947 -28.023 1.00 62.30 C ATOM 490 O LYS A 57 23.328 -15.982 -28.782 1.00 22.30 O ATOM 491 CB LYS A 57 22.001 -16.547 -25.981 1.00 1.33 C ATOM 492 CG LYS A 57 20.557 -16.134 -25.746 1.00 13.20 C ATOM 493 CD LYS A 57 20.446 -14.656 -25.405 1.00 64.31 C ATOM 494 CE LYS A 57 20.753 -14.397 -23.938 1.00 21.04 C ATOM 495 NZ LYS A 57 19.528 -14.043 -23.168 1.00 5.33 N ATOM 0 H LYS A 57 22.681 -18.949 -25.879 1.00 1.15 H new ATOM 0 HA LYS A 57 21.298 -17.336 -27.839 1.00 25.23 H new ATOM 0 HB2 LYS A 57 22.363 -17.088 -25.106 1.00 1.33 H new ATOM 0 HB3 LYS A 57 22.615 -15.652 -26.079 1.00 1.33 H new ATOM 0 HG2 LYS A 57 19.967 -16.348 -26.637 1.00 13.20 H new ATOM 0 HG3 LYS A 57 20.135 -16.728 -24.935 1.00 13.20 H new ATOM 0 HD2 LYS A 57 21.135 -14.085 -26.028 1.00 64.31 H new ATOM 0 HD3 LYS A 57 19.441 -14.303 -25.635 1.00 64.31 H new ATOM 0 HE2 LYS A 57 21.213 -15.284 -23.501 1.00 21.04 H new ATOM 0 HE3 LYS A 57 21.479 -13.588 -23.856 1.00 21.04 H new ATOM 0 HZ1 LYS A 57 19.780 -13.874 -22.173 1.00 5.33 H new ATOM 0 HZ2 LYS A 57 19.103 -13.182 -23.568 1.00 5.33 H new ATOM 0 HZ3 LYS A 57 18.845 -14.825 -23.224 1.00 5.33 H new ATOM 509 N ALA A 58 24.524 -17.640 -27.847 1.00 62.51 N ATOM 510 CA ALA A 58 25.746 -17.299 -28.554 1.00 71.03 C ATOM 511 C ALA A 58 25.809 -17.998 -29.908 1.00 24.21 C ATOM 512 O ALA A 58 26.537 -17.572 -30.805 1.00 73.21 O ATOM 513 CB ALA A 58 26.958 -17.649 -27.702 1.00 64.45 C ATOM 0 H ALA A 58 24.608 -18.440 -27.220 1.00 62.51 H new ATOM 0 HA ALA A 58 25.751 -16.225 -28.739 1.00 71.03 H new ATOM 0 HB1 ALA A 58 27.869 -17.389 -28.241 1.00 64.45 H new ATOM 0 HB2 ALA A 58 26.919 -17.091 -26.767 1.00 64.45 H new ATOM 0 HB3 ALA A 58 26.955 -18.718 -27.487 1.00 64.45 H new ATOM 519 N ILE A 59 25.051 -19.082 -30.045 1.00 54.15 N ATOM 520 CA ILE A 59 25.028 -19.854 -31.282 1.00 5.02 C ATOM 521 C ILE A 59 23.864 -19.467 -32.175 1.00 25.22 C ATOM 522 O ILE A 59 24.021 -19.296 -33.383 1.00 25.33 O ATOM 523 CB ILE A 59 24.957 -21.360 -30.983 1.00 44.53 C ATOM 524 CG1 ILE A 59 23.684 -21.712 -30.213 1.00 13.55 C ATOM 525 CG2 ILE A 59 26.179 -21.770 -30.197 1.00 5.44 C ATOM 526 CD1 ILE A 59 22.516 -22.079 -31.104 1.00 71.22 C ATOM 0 H ILE A 59 24.443 -19.446 -29.312 1.00 54.15 H new ATOM 0 HA ILE A 59 25.954 -19.627 -31.810 1.00 5.02 H new ATOM 0 HB ILE A 59 24.931 -21.904 -31.927 1.00 44.53 H new ATOM 0 HG12 ILE A 59 23.894 -22.545 -29.543 1.00 13.55 H new ATOM 0 HG13 ILE A 59 23.401 -20.864 -29.589 1.00 13.55 H new ATOM 0 HG21 ILE A 59 26.132 -22.838 -29.983 1.00 5.44 H new ATOM 0 HG22 ILE A 59 27.075 -21.555 -30.779 1.00 5.44 H new ATOM 0 HG23 ILE A 59 26.213 -21.213 -29.261 1.00 5.44 H new ATOM 0 HD11 ILE A 59 21.649 -22.316 -30.488 1.00 71.22 H new ATOM 0 HD12 ILE A 59 22.278 -21.239 -31.757 1.00 71.22 H new ATOM 0 HD13 ILE A 59 22.779 -22.946 -31.710 1.00 71.22 H new ATOM 538 N GLY A 60 22.701 -19.326 -31.570 1.00 41.01 N ATOM 539 CA GLY A 60 21.519 -18.955 -32.315 1.00 23.42 C ATOM 540 C GLY A 60 20.797 -17.798 -31.671 1.00 1.05 C ATOM 541 O GLY A 60 19.723 -17.397 -32.119 1.00 42.43 O ATOM 0 H GLY A 60 22.552 -19.462 -30.570 1.00 41.01 H new ATOM 0 HA2 GLY A 60 21.799 -18.688 -33.334 1.00 23.42 H new ATOM 0 HA3 GLY A 60 20.848 -19.811 -32.383 1.00 23.42 H new ATOM 545 N LYS A 61 21.389 -17.257 -30.609 1.00 52.11 N ATOM 546 CA LYS A 61 20.781 -16.132 -29.902 1.00 42.00 C ATOM 547 C LYS A 61 19.405 -16.508 -29.359 1.00 33.52 C ATOM 548 O LYS A 61 18.862 -17.547 -29.788 1.00 10.34 O ATOM 549 CB LYS A 61 20.661 -14.923 -30.832 1.00 2.13 C ATOM 550 CG LYS A 61 20.126 -13.677 -30.145 1.00 12.15 C ATOM 551 CD LYS A 61 19.964 -12.526 -31.124 1.00 72.12 C ATOM 552 CE LYS A 61 19.131 -11.403 -30.531 1.00 41.02 C ATOM 553 NZ LYS A 61 17.687 -11.761 -30.457 1.00 52.23 N ATOM 554 OXT LYS A 61 18.882 -15.759 -28.507 1.00 36.79 O ATOM 0 H LYS A 61 22.278 -17.574 -30.222 1.00 52.11 H new ATOM 0 HA LYS A 61 21.425 -15.874 -29.061 1.00 42.00 H new ATOM 0 HB2 LYS A 61 21.641 -14.702 -31.255 1.00 2.13 H new ATOM 0 HB3 LYS A 61 20.005 -15.179 -31.664 1.00 2.13 H new ATOM 0 HG2 LYS A 61 19.165 -13.900 -29.682 1.00 12.15 H new ATOM 0 HG3 LYS A 61 20.804 -13.382 -29.344 1.00 12.15 H new ATOM 0 HD2 LYS A 61 20.946 -12.144 -31.403 1.00 72.12 H new ATOM 0 HD3 LYS A 61 19.491 -12.888 -32.037 1.00 72.12 H new ATOM 0 HE2 LYS A 61 19.498 -11.167 -29.532 1.00 41.02 H new ATOM 0 HE3 LYS A 61 19.251 -10.504 -31.135 1.00 41.02 H new ATOM 0 HZ1 LYS A 61 17.127 -10.907 -30.259 1.00 52.23 H new ATOM 0 HZ2 LYS A 61 17.384 -12.171 -31.364 1.00 52.23 H new ATOM 0 HZ3 LYS A 61 17.540 -12.456 -29.697 1.00 52.23 H new