USER MOD reduce.3.24.130724 H: found=0, std=0, add=305, rem=0, adj=6 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 Set 1.1: A 29 LYS NZ :NH3+ 170:sc= 0 (180deg=0) USER MOD Set 1.2: A 33 LYS NZ :NH3+ 150:sc= -0.794 (180deg=-2.69!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -158:sc= -0.912 (180deg=-2.2!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0759) 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+ -175:sc= 0 (180deg=-0.0134) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 2.865 -0.569 1.414 1.00 13.00 N ATOM 2 CA GLY A 26 2.699 -0.544 -0.066 1.00 45.03 C ATOM 3 C GLY A 26 3.171 -1.827 -0.722 1.00 3.23 C ATOM 4 O GLY A 26 4.295 -2.272 -0.494 1.00 52.03 O ATOM 0 HA2 GLY A 26 1.649 -0.380 -0.308 1.00 45.03 H new ATOM 0 HA3 GLY A 26 3.256 0.298 -0.477 1.00 45.03 H new ATOM 10 N GLY A 27 2.309 -2.421 -1.541 1.00 5.11 N ATOM 11 CA GLY A 27 2.662 -3.655 -2.220 1.00 63.02 C ATOM 12 C GLY A 27 3.758 -3.456 -3.248 1.00 63.31 C ATOM 13 O GLY A 27 4.535 -4.372 -3.522 1.00 52.33 O ATOM 0 H GLY A 27 1.373 -2.071 -1.747 1.00 5.11 H new ATOM 0 HA2 GLY A 27 2.987 -4.391 -1.485 1.00 63.02 H new ATOM 0 HA3 GLY A 27 1.778 -4.063 -2.710 1.00 63.02 H new ATOM 17 N LEU A 28 3.823 -2.256 -3.820 1.00 62.54 N ATOM 18 CA LEU A 28 4.836 -1.937 -4.827 1.00 30.12 C ATOM 19 C LEU A 28 6.214 -2.372 -4.362 1.00 30.54 C ATOM 20 O LEU A 28 6.849 -3.235 -4.968 1.00 3.51 O ATOM 21 CB LEU A 28 4.849 -0.434 -5.104 1.00 1.23 C ATOM 22 CG LEU A 28 4.510 0.460 -3.905 1.00 13.12 C ATOM 23 CD1 LEU A 28 5.402 1.692 -3.884 1.00 13.55 C ATOM 24 CD2 LEU A 28 3.043 0.861 -3.940 1.00 43.01 C ATOM 0 H LEU A 28 3.187 -1.488 -3.605 1.00 62.54 H new ATOM 0 HA LEU A 28 4.584 -2.475 -5.741 1.00 30.12 H new ATOM 0 HB2 LEU A 28 5.837 -0.158 -5.473 1.00 1.23 H new ATOM 0 HB3 LEU A 28 4.140 -0.223 -5.904 1.00 1.23 H new ATOM 0 HG LEU A 28 4.691 -0.106 -2.992 1.00 13.12 H new ATOM 0 HD11 LEU A 28 5.145 2.313 -3.026 1.00 13.55 H new ATOM 0 HD12 LEU A 28 6.445 1.385 -3.810 1.00 13.55 H new ATOM 0 HD13 LEU A 28 5.256 2.263 -4.801 1.00 13.55 H new ATOM 0 HD21 LEU A 28 2.819 1.495 -3.082 1.00 43.01 H new ATOM 0 HD22 LEU A 28 2.837 1.408 -4.860 1.00 43.01 H new ATOM 0 HD23 LEU A 28 2.420 -0.033 -3.903 1.00 43.01 H new ATOM 36 N LYS A 29 6.655 -1.779 -3.266 1.00 73.14 N ATOM 37 CA LYS A 29 7.948 -2.111 -2.688 1.00 32.42 C ATOM 38 C LYS A 29 7.943 -3.558 -2.209 1.00 51.14 C ATOM 39 O LYS A 29 8.991 -4.194 -2.102 1.00 30.35 O ATOM 40 CB LYS A 29 8.272 -1.171 -1.526 1.00 64.21 C ATOM 41 CG LYS A 29 9.116 0.029 -1.930 1.00 73.03 C ATOM 42 CD LYS A 29 10.427 0.075 -1.162 1.00 63.14 C ATOM 43 CE LYS A 29 10.976 1.491 -1.083 1.00 21.43 C ATOM 44 NZ LYS A 29 12.464 1.514 -1.147 1.00 24.13 N ATOM 0 H LYS A 29 6.136 -1.063 -2.757 1.00 73.14 H new ATOM 0 HA LYS A 29 8.716 -1.991 -3.452 1.00 32.42 H new ATOM 0 HB2 LYS A 29 7.340 -0.817 -1.085 1.00 64.21 H new ATOM 0 HB3 LYS A 29 8.798 -1.731 -0.753 1.00 64.21 H new ATOM 0 HG2 LYS A 29 9.322 -0.014 -3.000 1.00 73.03 H new ATOM 0 HG3 LYS A 29 8.555 0.946 -1.749 1.00 73.03 H new ATOM 0 HD2 LYS A 29 10.274 -0.314 -0.155 1.00 63.14 H new ATOM 0 HD3 LYS A 29 11.157 -0.573 -1.647 1.00 63.14 H new ATOM 0 HE2 LYS A 29 10.568 2.085 -1.901 1.00 21.43 H new ATOM 0 HE3 LYS A 29 10.645 1.957 -0.155 1.00 21.43 H new ATOM 0 HZ1 LYS A 29 12.791 2.495 -1.261 1.00 24.13 H new ATOM 0 HZ2 LYS A 29 12.855 1.118 -0.269 1.00 24.13 H new ATOM 0 HZ3 LYS A 29 12.785 0.946 -1.956 1.00 24.13 H new ATOM 58 N LYS A 30 6.747 -4.072 -1.930 1.00 14.14 N ATOM 59 CA LYS A 30 6.589 -5.445 -1.471 1.00 61.13 C ATOM 60 C LYS A 30 6.919 -6.426 -2.591 1.00 22.42 C ATOM 61 O LYS A 30 7.575 -7.443 -2.366 1.00 3.21 O ATOM 62 CB LYS A 30 5.161 -5.678 -0.976 1.00 23.50 C ATOM 63 CG LYS A 30 5.077 -6.593 0.236 1.00 0.42 C ATOM 64 CD LYS A 30 4.893 -5.802 1.523 1.00 74.22 C ATOM 65 CE LYS A 30 6.066 -5.999 2.471 1.00 34.22 C ATOM 66 NZ LYS A 30 5.973 -5.109 3.662 1.00 65.10 N ATOM 0 H LYS A 30 5.872 -3.554 -2.015 1.00 14.14 H new ATOM 0 HA LYS A 30 7.281 -5.612 -0.646 1.00 61.13 H new ATOM 0 HB2 LYS A 30 4.711 -4.717 -0.727 1.00 23.50 H new ATOM 0 HB3 LYS A 30 4.570 -6.107 -1.786 1.00 23.50 H new ATOM 0 HG2 LYS A 30 4.245 -7.286 0.112 1.00 0.42 H new ATOM 0 HG3 LYS A 30 5.985 -7.193 0.303 1.00 0.42 H new ATOM 0 HD2 LYS A 30 4.787 -4.743 1.288 1.00 74.22 H new ATOM 0 HD3 LYS A 30 3.971 -6.113 2.014 1.00 74.22 H new ATOM 0 HE2 LYS A 30 6.099 -7.039 2.796 1.00 34.22 H new ATOM 0 HE3 LYS A 30 6.998 -5.801 1.942 1.00 34.22 H new ATOM 0 HZ1 LYS A 30 6.791 -5.274 4.283 1.00 65.10 H new ATOM 0 HZ2 LYS A 30 5.967 -4.116 3.354 1.00 65.10 H new ATOM 0 HZ3 LYS A 30 5.096 -5.315 4.182 1.00 65.10 H new ATOM 80 N LEU A 31 6.458 -6.112 -3.799 1.00 31.53 N ATOM 81 CA LEU A 31 6.705 -6.965 -4.955 1.00 41.03 C ATOM 82 C LEU A 31 8.087 -6.698 -5.541 1.00 54.21 C ATOM 83 O LEU A 31 8.765 -7.615 -6.003 1.00 55.00 O ATOM 84 CB LEU A 31 5.633 -6.737 -6.022 1.00 32.45 C ATOM 85 CG LEU A 31 5.818 -7.544 -7.309 1.00 51.12 C ATOM 86 CD1 LEU A 31 5.820 -9.036 -7.007 1.00 42.32 C ATOM 87 CD2 LEU A 31 4.726 -7.203 -8.312 1.00 31.33 C ATOM 0 H LEU A 31 5.912 -5.274 -4.001 1.00 31.53 H new ATOM 0 HA LEU A 31 6.664 -8.003 -4.625 1.00 41.03 H new ATOM 0 HB2 LEU A 31 4.660 -6.980 -5.595 1.00 32.45 H new ATOM 0 HB3 LEU A 31 5.614 -5.677 -6.275 1.00 32.45 H new ATOM 0 HG LEU A 31 6.781 -7.281 -7.746 1.00 51.12 H new ATOM 0 HD11 LEU A 31 5.953 -9.595 -7.934 1.00 42.32 H new ATOM 0 HD12 LEU A 31 6.637 -9.268 -6.324 1.00 42.32 H new ATOM 0 HD13 LEU A 31 4.872 -9.315 -6.547 1.00 42.32 H new ATOM 0 HD21 LEU A 31 4.873 -7.786 -9.221 1.00 31.33 H new ATOM 0 HD22 LEU A 31 3.752 -7.438 -7.883 1.00 31.33 H new ATOM 0 HD23 LEU A 31 4.770 -6.140 -8.551 1.00 31.33 H new ATOM 99 N GLY A 32 8.498 -5.434 -5.518 1.00 54.02 N ATOM 100 CA GLY A 32 9.797 -5.065 -6.050 1.00 41.24 C ATOM 101 C GLY A 32 10.944 -5.629 -5.234 1.00 43.31 C ATOM 102 O GLY A 32 12.062 -5.761 -5.734 1.00 64.54 O ATOM 0 H GLY A 32 7.954 -4.658 -5.140 1.00 54.02 H new ATOM 0 HA2 GLY A 32 9.878 -5.419 -7.078 1.00 41.24 H new ATOM 0 HA3 GLY A 32 9.878 -3.978 -6.080 1.00 41.24 H new ATOM 106 N LYS A 33 10.673 -5.960 -3.975 1.00 21.22 N ATOM 107 CA LYS A 33 11.695 -6.511 -3.093 1.00 75.52 C ATOM 108 C LYS A 33 11.553 -8.025 -2.963 1.00 3.31 C ATOM 109 O LYS A 33 12.525 -8.728 -2.690 1.00 0.34 O ATOM 110 CB LYS A 33 11.612 -5.859 -1.712 1.00 1.33 C ATOM 111 CG LYS A 33 12.387 -4.557 -1.606 1.00 13.35 C ATOM 112 CD LYS A 33 11.760 -3.615 -0.590 1.00 41.44 C ATOM 113 CE LYS A 33 12.818 -2.883 0.219 1.00 12.24 C ATOM 114 NZ LYS A 33 12.336 -1.556 0.692 1.00 14.31 N ATOM 0 H LYS A 33 9.755 -5.856 -3.543 1.00 21.22 H new ATOM 0 HA LYS A 33 12.669 -6.295 -3.533 1.00 75.52 H new ATOM 0 HB2 LYS A 33 10.566 -5.670 -1.471 1.00 1.33 H new ATOM 0 HB3 LYS A 33 11.989 -6.558 -0.966 1.00 1.33 H new ATOM 0 HG2 LYS A 33 13.417 -4.768 -1.320 1.00 13.35 H new ATOM 0 HG3 LYS A 33 12.420 -4.072 -2.581 1.00 13.35 H new ATOM 0 HD2 LYS A 33 11.129 -2.891 -1.105 1.00 41.44 H new ATOM 0 HD3 LYS A 33 11.114 -4.180 0.081 1.00 41.44 H new ATOM 0 HE2 LYS A 33 13.105 -3.492 1.076 1.00 12.24 H new ATOM 0 HE3 LYS A 33 13.712 -2.749 -0.390 1.00 12.24 H new ATOM 0 HZ1 LYS A 33 12.801 -1.318 1.591 1.00 14.31 H new ATOM 0 HZ2 LYS A 33 12.563 -0.831 -0.018 1.00 14.31 H new ATOM 0 HZ3 LYS A 33 11.306 -1.591 0.834 1.00 14.31 H new ATOM 128 N LYS A 34 10.335 -8.522 -3.160 1.00 65.44 N ATOM 129 CA LYS A 34 10.069 -9.952 -3.063 1.00 62.24 C ATOM 130 C LYS A 34 10.684 -10.700 -4.240 1.00 13.43 C ATOM 131 O LYS A 34 11.580 -11.526 -4.067 1.00 11.13 O ATOM 132 CB LYS A 34 8.562 -10.208 -3.013 1.00 22.30 C ATOM 133 CG LYS A 34 8.199 -11.672 -2.817 1.00 23.14 C ATOM 134 CD LYS A 34 7.968 -12.374 -4.147 1.00 4.44 C ATOM 135 CE LYS A 34 8.622 -13.748 -4.176 1.00 3.05 C ATOM 136 NZ LYS A 34 9.419 -13.957 -5.417 1.00 42.11 N ATOM 0 H LYS A 34 9.518 -7.955 -3.388 1.00 65.44 H new ATOM 0 HA LYS A 34 10.524 -10.320 -2.144 1.00 62.24 H new ATOM 0 HB2 LYS A 34 8.129 -9.623 -2.201 1.00 22.30 H new ATOM 0 HB3 LYS A 34 8.110 -9.851 -3.939 1.00 22.30 H new ATOM 0 HG2 LYS A 34 8.998 -12.176 -2.273 1.00 23.14 H new ATOM 0 HG3 LYS A 34 7.300 -11.746 -2.205 1.00 23.14 H new ATOM 0 HD2 LYS A 34 6.897 -12.476 -4.324 1.00 4.44 H new ATOM 0 HD3 LYS A 34 8.368 -11.763 -4.956 1.00 4.44 H new ATOM 0 HE2 LYS A 34 9.269 -13.861 -3.306 1.00 3.05 H new ATOM 0 HE3 LYS A 34 7.853 -14.518 -4.104 1.00 3.05 H new ATOM 0 HZ1 LYS A 34 9.534 -14.976 -5.588 1.00 42.11 H new ATOM 0 HZ2 LYS A 34 8.926 -13.524 -6.224 1.00 42.11 H new ATOM 0 HZ3 LYS A 34 10.355 -13.517 -5.307 1.00 42.11 H new ATOM 150 N LEU A 35 10.194 -10.403 -5.439 1.00 30.24 N ATOM 151 CA LEU A 35 10.689 -11.044 -6.653 1.00 20.43 C ATOM 152 C LEU A 35 12.199 -10.876 -6.785 1.00 71.25 C ATOM 153 O LEU A 35 12.912 -11.821 -7.123 1.00 45.43 O ATOM 154 CB LEU A 35 9.995 -10.455 -7.885 1.00 2.53 C ATOM 155 CG LEU A 35 9.919 -11.380 -9.104 1.00 64.31 C ATOM 156 CD1 LEU A 35 9.590 -10.579 -10.354 1.00 1.34 C ATOM 157 CD2 LEU A 35 11.225 -12.141 -9.292 1.00 4.54 C ATOM 0 H LEU A 35 9.452 -9.721 -5.597 1.00 30.24 H new ATOM 0 HA LEU A 35 10.463 -12.108 -6.586 1.00 20.43 H new ATOM 0 HB2 LEU A 35 8.982 -10.166 -7.606 1.00 2.53 H new ATOM 0 HB3 LEU A 35 10.518 -9.544 -8.174 1.00 2.53 H new ATOM 0 HG LEU A 35 9.124 -12.106 -8.932 1.00 64.31 H new ATOM 0 HD11 LEU A 35 9.539 -11.249 -11.212 1.00 1.34 H new ATOM 0 HD12 LEU A 35 8.629 -10.081 -10.225 1.00 1.34 H new ATOM 0 HD13 LEU A 35 10.366 -9.832 -10.522 1.00 1.34 H new ATOM 0 HD21 LEU A 35 11.145 -12.791 -10.164 1.00 4.54 H new ATOM 0 HD22 LEU A 35 12.040 -11.433 -9.440 1.00 4.54 H new ATOM 0 HD23 LEU A 35 11.425 -12.745 -8.407 1.00 4.54 H new ATOM 169 N GLU A 36 12.680 -9.666 -6.521 1.00 25.35 N ATOM 170 CA GLU A 36 14.106 -9.374 -6.614 1.00 55.51 C ATOM 171 C GLU A 36 14.913 -10.294 -5.705 1.00 14.45 C ATOM 172 O GLU A 36 15.994 -10.754 -6.072 1.00 21.04 O ATOM 173 CB GLU A 36 14.374 -7.913 -6.250 1.00 12.23 C ATOM 174 CG GLU A 36 15.495 -7.280 -7.058 1.00 64.30 C ATOM 175 CD GLU A 36 16.841 -7.930 -6.799 1.00 11.03 C ATOM 176 OE1 GLU A 36 17.114 -8.988 -7.403 1.00 73.51 O ATOM 177 OE2 GLU A 36 17.619 -7.382 -5.991 1.00 52.40 O ATOM 0 H GLU A 36 12.104 -8.872 -6.241 1.00 25.35 H new ATOM 0 HA GLU A 36 14.419 -9.548 -7.644 1.00 55.51 H new ATOM 0 HB2 GLU A 36 13.461 -7.337 -6.398 1.00 12.23 H new ATOM 0 HB3 GLU A 36 14.621 -7.851 -5.190 1.00 12.23 H new ATOM 0 HG2 GLU A 36 15.259 -7.353 -8.120 1.00 64.30 H new ATOM 0 HG3 GLU A 36 15.556 -6.219 -6.818 1.00 64.30 H new ATOM 184 N GLY A 37 14.379 -10.562 -4.518 1.00 22.11 N ATOM 185 CA GLY A 37 15.062 -11.429 -3.577 1.00 65.33 C ATOM 186 C GLY A 37 15.338 -12.802 -4.155 1.00 64.45 C ATOM 187 O GLY A 37 16.441 -13.332 -4.019 1.00 65.21 O ATOM 0 H GLY A 37 13.486 -10.194 -4.191 1.00 22.11 H new ATOM 0 HA2 GLY A 37 16.003 -10.967 -3.278 1.00 65.33 H new ATOM 0 HA3 GLY A 37 14.457 -11.532 -2.676 1.00 65.33 H new ATOM 191 N ALA A 38 14.334 -13.377 -4.809 1.00 50.02 N ATOM 192 CA ALA A 38 14.475 -14.693 -5.418 1.00 51.23 C ATOM 193 C ALA A 38 15.385 -14.624 -6.639 1.00 54.54 C ATOM 194 O ALA A 38 16.333 -15.399 -6.766 1.00 54.40 O ATOM 195 CB ALA A 38 13.112 -15.250 -5.801 1.00 33.54 C ATOM 0 H ALA A 38 13.415 -12.952 -4.930 1.00 50.02 H new ATOM 0 HA ALA A 38 14.930 -15.363 -4.688 1.00 51.23 H new ATOM 0 HB1 ALA A 38 13.235 -16.233 -6.255 1.00 33.54 H new ATOM 0 HB2 ALA A 38 12.491 -15.337 -4.910 1.00 33.54 H new ATOM 0 HB3 ALA A 38 12.632 -14.579 -6.514 1.00 33.54 H new ATOM 201 N GLY A 39 15.089 -13.684 -7.532 1.00 30.21 N ATOM 202 CA GLY A 39 15.886 -13.517 -8.730 1.00 13.10 C ATOM 203 C GLY A 39 17.364 -13.380 -8.429 1.00 3.03 C ATOM 204 O GLY A 39 18.201 -13.797 -9.224 1.00 23.23 O ATOM 0 H GLY A 39 14.308 -13.034 -7.445 1.00 30.21 H new ATOM 0 HA2 GLY A 39 15.730 -14.372 -9.388 1.00 13.10 H new ATOM 0 HA3 GLY A 39 15.545 -12.633 -9.269 1.00 13.10 H new ATOM 208 N LYS A 40 17.689 -12.800 -7.277 1.00 4.54 N ATOM 209 CA LYS A 40 19.084 -12.627 -6.887 1.00 44.40 C ATOM 210 C LYS A 40 19.732 -13.984 -6.632 1.00 45.32 C ATOM 211 O LYS A 40 20.902 -14.199 -6.942 1.00 33.24 O ATOM 212 CB LYS A 40 19.192 -11.750 -5.639 1.00 23.51 C ATOM 213 CG LYS A 40 20.581 -11.172 -5.419 1.00 42.11 C ATOM 214 CD LYS A 40 20.519 -9.723 -4.966 1.00 14.35 C ATOM 215 CE LYS A 40 21.637 -8.898 -5.584 1.00 63.30 C ATOM 216 NZ LYS A 40 22.966 -9.243 -5.006 1.00 35.22 N ATOM 0 H LYS A 40 17.011 -12.445 -6.603 1.00 4.54 H new ATOM 0 HA LYS A 40 19.609 -12.131 -7.703 1.00 44.40 H new ATOM 0 HB2 LYS A 40 18.476 -10.932 -5.717 1.00 23.51 H new ATOM 0 HB3 LYS A 40 18.910 -12.339 -4.766 1.00 23.51 H new ATOM 0 HG2 LYS A 40 21.108 -11.765 -4.672 1.00 42.11 H new ATOM 0 HG3 LYS A 40 21.155 -11.241 -6.343 1.00 42.11 H new ATOM 0 HD2 LYS A 40 19.555 -9.295 -5.241 1.00 14.35 H new ATOM 0 HD3 LYS A 40 20.589 -9.677 -3.879 1.00 14.35 H new ATOM 0 HE2 LYS A 40 21.656 -9.062 -6.661 1.00 63.30 H new ATOM 0 HE3 LYS A 40 21.436 -7.838 -5.426 1.00 63.30 H new ATOM 0 HZ1 LYS A 40 23.701 -8.659 -5.453 1.00 35.22 H new ATOM 0 HZ2 LYS A 40 22.956 -9.063 -3.982 1.00 35.22 H new ATOM 0 HZ3 LYS A 40 23.169 -10.248 -5.179 1.00 35.22 H new ATOM 230 N ARG A 41 18.951 -14.903 -6.080 1.00 35.12 N ATOM 231 CA ARG A 41 19.434 -16.248 -5.804 1.00 61.44 C ATOM 232 C ARG A 41 19.382 -17.087 -7.080 1.00 55.13 C ATOM 233 O ARG A 41 20.109 -18.071 -7.224 1.00 31.11 O ATOM 234 CB ARG A 41 18.586 -16.896 -4.700 1.00 12.15 C ATOM 235 CG ARG A 41 18.608 -18.419 -4.706 1.00 22.23 C ATOM 236 CD ARG A 41 17.597 -18.987 -5.690 1.00 24.34 C ATOM 237 NE ARG A 41 17.007 -20.235 -5.211 1.00 4.53 N ATOM 238 CZ ARG A 41 16.047 -20.297 -4.291 1.00 55.55 C ATOM 239 NH1 ARG A 41 15.566 -19.184 -3.748 1.00 65.34 N ATOM 240 NH2 ARG A 41 15.566 -21.473 -3.913 1.00 13.24 N ATOM 0 H ARG A 41 17.980 -14.741 -5.815 1.00 35.12 H new ATOM 0 HA ARG A 41 20.467 -16.195 -5.460 1.00 61.44 H new ATOM 0 HB2 ARG A 41 18.940 -16.543 -3.731 1.00 12.15 H new ATOM 0 HB3 ARG A 41 17.555 -16.559 -4.805 1.00 12.15 H new ATOM 0 HG2 ARG A 41 19.607 -18.768 -4.967 1.00 22.23 H new ATOM 0 HG3 ARG A 41 18.391 -18.791 -3.705 1.00 22.23 H new ATOM 0 HD2 ARG A 41 16.807 -18.255 -5.861 1.00 24.34 H new ATOM 0 HD3 ARG A 41 18.084 -19.161 -6.650 1.00 24.34 H new ATOM 0 HE ARG A 41 17.351 -21.111 -5.605 1.00 4.53 H new ATOM 0 HH11 ARG A 41 15.932 -18.277 -4.036 1.00 65.34 H new ATOM 0 HH12 ARG A 41 14.830 -19.237 -3.043 1.00 65.34 H new ATOM 0 HH21 ARG A 41 15.932 -22.330 -4.327 1.00 13.24 H new ATOM 0 HH22 ARG A 41 14.830 -21.520 -3.208 1.00 13.24 H new ATOM 254 N VAL A 42 18.506 -16.687 -7.996 1.00 73.42 N ATOM 255 CA VAL A 42 18.332 -17.387 -9.261 1.00 63.42 C ATOM 256 C VAL A 42 19.336 -16.913 -10.300 1.00 61.20 C ATOM 257 O VAL A 42 19.886 -17.713 -11.057 1.00 22.22 O ATOM 258 CB VAL A 42 16.912 -17.178 -9.806 1.00 42.52 C ATOM 259 CG1 VAL A 42 16.633 -18.128 -10.961 1.00 74.24 C ATOM 260 CG2 VAL A 42 15.892 -17.353 -8.696 1.00 61.31 C ATOM 0 H VAL A 42 17.901 -15.874 -7.883 1.00 73.42 H new ATOM 0 HA VAL A 42 18.498 -18.447 -9.067 1.00 63.42 H new ATOM 0 HB VAL A 42 16.831 -16.160 -10.186 1.00 42.52 H new ATOM 0 HG11 VAL A 42 15.621 -17.963 -11.332 1.00 74.24 H new ATOM 0 HG12 VAL A 42 17.348 -17.945 -11.763 1.00 74.24 H new ATOM 0 HG13 VAL A 42 16.729 -19.158 -10.617 1.00 74.24 H new ATOM 0 HG21 VAL A 42 14.889 -17.202 -9.096 1.00 61.31 H new ATOM 0 HG22 VAL A 42 15.971 -18.359 -8.285 1.00 61.31 H new ATOM 0 HG23 VAL A 42 16.082 -16.623 -7.909 1.00 61.31 H new ATOM 270 N PHE A 43 19.581 -15.607 -10.332 1.00 23.45 N ATOM 271 CA PHE A 43 20.529 -15.035 -11.278 1.00 63.01 C ATOM 272 C PHE A 43 21.853 -15.790 -11.203 1.00 74.43 C ATOM 273 O PHE A 43 22.543 -15.964 -12.208 1.00 61.01 O ATOM 274 CB PHE A 43 20.718 -13.534 -11.000 1.00 45.13 C ATOM 275 CG PHE A 43 22.014 -13.174 -10.331 1.00 64.43 C ATOM 276 CD1 PHE A 43 23.203 -13.199 -11.037 1.00 23.23 C ATOM 277 CD2 PHE A 43 22.036 -12.805 -8.999 1.00 43.21 C ATOM 278 CE1 PHE A 43 24.396 -12.862 -10.424 1.00 53.51 C ATOM 279 CE2 PHE A 43 23.223 -12.469 -8.377 1.00 72.02 C ATOM 280 CZ PHE A 43 24.406 -12.496 -9.091 1.00 13.23 C ATOM 0 H PHE A 43 19.137 -14.927 -9.715 1.00 23.45 H new ATOM 0 HA PHE A 43 20.138 -15.137 -12.290 1.00 63.01 H new ATOM 0 HB2 PHE A 43 20.650 -12.993 -11.944 1.00 45.13 H new ATOM 0 HB3 PHE A 43 19.895 -13.188 -10.375 1.00 45.13 H new ATOM 0 HD1 PHE A 43 23.200 -13.485 -12.078 1.00 23.23 H new ATOM 0 HD2 PHE A 43 21.114 -12.779 -8.438 1.00 43.21 H new ATOM 0 HE1 PHE A 43 25.318 -12.885 -10.986 1.00 53.51 H new ATOM 0 HE2 PHE A 43 23.226 -12.186 -7.335 1.00 72.02 H new ATOM 0 HZ PHE A 43 25.336 -12.232 -8.609 1.00 13.23 H new ATOM 290 N LYS A 44 22.183 -16.258 -10.002 1.00 22.42 N ATOM 291 CA LYS A 44 23.403 -17.020 -9.785 1.00 61.41 C ATOM 292 C LYS A 44 23.196 -18.464 -10.233 1.00 2.51 C ATOM 293 O LYS A 44 24.130 -19.129 -10.681 1.00 14.35 O ATOM 294 CB LYS A 44 23.807 -16.976 -8.309 1.00 4.31 C ATOM 295 CG LYS A 44 25.258 -16.579 -8.087 1.00 13.03 C ATOM 296 CD LYS A 44 25.402 -15.619 -6.917 1.00 32.31 C ATOM 297 CE LYS A 44 26.802 -15.030 -6.849 1.00 31.12 C ATOM 298 NZ LYS A 44 26.782 -13.595 -6.453 1.00 75.32 N ATOM 0 H LYS A 44 21.618 -16.121 -9.164 1.00 22.42 H new ATOM 0 HA LYS A 44 24.205 -16.575 -10.374 1.00 61.41 H new ATOM 0 HB2 LYS A 44 23.162 -16.271 -7.785 1.00 4.31 H new ATOM 0 HB3 LYS A 44 23.635 -17.956 -7.864 1.00 4.31 H new ATOM 0 HG2 LYS A 44 25.856 -17.471 -7.902 1.00 13.03 H new ATOM 0 HG3 LYS A 44 25.651 -16.114 -8.991 1.00 13.03 H new ATOM 0 HD2 LYS A 44 24.672 -14.815 -7.013 1.00 32.31 H new ATOM 0 HD3 LYS A 44 25.180 -16.142 -5.987 1.00 32.31 H new ATOM 0 HE2 LYS A 44 27.399 -15.596 -6.134 1.00 31.12 H new ATOM 0 HE3 LYS A 44 27.286 -15.132 -7.820 1.00 31.12 H new ATOM 0 HZ1 LYS A 44 27.691 -13.343 -6.014 1.00 75.32 H new ATOM 0 HZ2 LYS A 44 26.629 -13.005 -7.295 1.00 75.32 H new ATOM 0 HZ3 LYS A 44 26.012 -13.433 -5.772 1.00 75.32 H new ATOM 312 N ALA A 45 21.955 -18.933 -10.120 1.00 50.52 N ATOM 313 CA ALA A 45 21.604 -20.286 -10.525 1.00 5.40 C ATOM 314 C ALA A 45 21.760 -20.440 -12.031 1.00 33.13 C ATOM 315 O ALA A 45 22.323 -21.423 -12.513 1.00 54.14 O ATOM 316 CB ALA A 45 20.178 -20.609 -10.100 1.00 51.42 C ATOM 0 H ALA A 45 21.175 -18.391 -9.749 1.00 50.52 H new ATOM 0 HA ALA A 45 22.278 -20.987 -10.033 1.00 5.40 H new ATOM 0 HB1 ALA A 45 19.927 -21.624 -10.409 1.00 51.42 H new ATOM 0 HB2 ALA A 45 20.094 -20.528 -9.016 1.00 51.42 H new ATOM 0 HB3 ALA A 45 19.490 -19.906 -10.570 1.00 51.42 H new ATOM 322 N SER A 46 21.269 -19.448 -12.767 1.00 61.40 N ATOM 323 CA SER A 46 21.363 -19.456 -14.220 1.00 21.22 C ATOM 324 C SER A 46 22.771 -19.066 -14.651 1.00 61.23 C ATOM 325 O SER A 46 23.292 -19.575 -15.644 1.00 51.41 O ATOM 326 CB SER A 46 20.343 -18.492 -14.827 1.00 23.41 C ATOM 327 OG SER A 46 19.935 -18.924 -16.113 1.00 60.34 O ATOM 0 H SER A 46 20.802 -18.628 -12.379 1.00 61.40 H new ATOM 0 HA SER A 46 21.146 -20.462 -14.579 1.00 21.22 H new ATOM 0 HB2 SER A 46 19.474 -18.417 -14.173 1.00 23.41 H new ATOM 0 HB3 SER A 46 20.777 -17.494 -14.896 1.00 23.41 H new ATOM 0 HG SER A 46 19.282 -18.292 -16.479 1.00 60.34 H new ATOM 333 N GLU A 47 23.384 -18.166 -13.888 1.00 1.32 N ATOM 334 CA GLU A 47 24.739 -17.716 -14.179 1.00 4.41 C ATOM 335 C GLU A 47 25.708 -18.893 -14.153 1.00 61.23 C ATOM 336 O GLU A 47 26.782 -18.837 -14.746 1.00 55.22 O ATOM 337 CB GLU A 47 25.180 -16.653 -13.171 1.00 13.32 C ATOM 338 CG GLU A 47 24.982 -15.229 -13.663 1.00 43.23 C ATOM 339 CD GLU A 47 26.292 -14.515 -13.935 1.00 41.31 C ATOM 340 OE1 GLU A 47 27.180 -14.552 -13.057 1.00 73.51 O ATOM 341 OE2 GLU A 47 26.431 -13.921 -15.025 1.00 41.12 O ATOM 0 H GLU A 47 22.964 -17.735 -13.065 1.00 1.32 H new ATOM 0 HA GLU A 47 24.746 -17.276 -15.176 1.00 4.41 H new ATOM 0 HB2 GLU A 47 24.622 -16.789 -12.244 1.00 13.32 H new ATOM 0 HB3 GLU A 47 26.233 -16.804 -12.934 1.00 13.32 H new ATOM 0 HG2 GLU A 47 24.385 -15.244 -14.575 1.00 43.23 H new ATOM 0 HG3 GLU A 47 24.415 -14.668 -12.920 1.00 43.23 H new ATOM 348 N LYS A 48 25.320 -19.966 -13.471 1.00 1.12 N ATOM 349 CA LYS A 48 26.163 -21.152 -13.398 1.00 44.00 C ATOM 350 C LYS A 48 26.143 -21.879 -14.733 1.00 65.13 C ATOM 351 O LYS A 48 27.137 -22.478 -15.144 1.00 72.20 O ATOM 352 CB LYS A 48 25.695 -22.083 -12.278 1.00 21.30 C ATOM 353 CG LYS A 48 26.295 -21.752 -10.921 1.00 34.43 C ATOM 354 CD LYS A 48 27.391 -22.734 -10.539 1.00 73.23 C ATOM 355 CE LYS A 48 28.306 -22.159 -9.470 1.00 32.03 C ATOM 356 NZ LYS A 48 29.519 -23.000 -9.266 1.00 31.23 N ATOM 0 H LYS A 48 24.437 -20.038 -12.966 1.00 1.12 H new ATOM 0 HA LYS A 48 27.184 -20.842 -13.175 1.00 44.00 H new ATOM 0 HB2 LYS A 48 24.608 -22.035 -12.207 1.00 21.30 H new ATOM 0 HB3 LYS A 48 25.952 -23.110 -12.539 1.00 21.30 H new ATOM 0 HG2 LYS A 48 26.702 -20.741 -10.939 1.00 34.43 H new ATOM 0 HG3 LYS A 48 25.512 -21.767 -10.163 1.00 34.43 H new ATOM 0 HD2 LYS A 48 26.942 -23.659 -10.176 1.00 73.23 H new ATOM 0 HD3 LYS A 48 27.977 -22.989 -11.422 1.00 73.23 H new ATOM 0 HE2 LYS A 48 28.607 -21.151 -9.754 1.00 32.03 H new ATOM 0 HE3 LYS A 48 27.759 -22.076 -8.531 1.00 32.03 H new ATOM 0 HZ1 LYS A 48 30.117 -22.574 -8.529 1.00 31.23 H new ATOM 0 HZ2 LYS A 48 29.233 -23.955 -8.970 1.00 31.23 H new ATOM 0 HZ3 LYS A 48 30.055 -23.058 -10.156 1.00 31.23 H new ATOM 370 N ALA A 49 25.009 -21.796 -15.418 1.00 42.43 N ATOM 371 CA ALA A 49 24.862 -22.416 -16.721 1.00 14.34 C ATOM 372 C ALA A 49 24.753 -21.360 -17.804 1.00 34.05 C ATOM 373 O ALA A 49 24.317 -21.655 -18.912 1.00 74.34 O ATOM 374 CB ALA A 49 23.652 -23.328 -16.762 1.00 0.24 C ATOM 0 H ALA A 49 24.179 -21.304 -15.089 1.00 42.43 H new ATOM 0 HA ALA A 49 25.751 -23.020 -16.903 1.00 14.34 H new ATOM 0 HB1 ALA A 49 23.569 -23.778 -17.751 1.00 0.24 H new ATOM 0 HB2 ALA A 49 23.763 -24.114 -16.014 1.00 0.24 H new ATOM 0 HB3 ALA A 49 22.753 -22.749 -16.550 1.00 0.24 H new ATOM 380 N LEU A 50 25.172 -20.127 -17.502 1.00 24.21 N ATOM 381 CA LEU A 50 25.121 -19.079 -18.504 1.00 45.55 C ATOM 382 C LEU A 50 26.026 -19.423 -19.675 1.00 43.40 C ATOM 383 O LEU A 50 25.678 -19.181 -20.823 1.00 52.35 O ATOM 384 CB LEU A 50 25.456 -17.692 -17.945 1.00 24.31 C ATOM 385 CG LEU A 50 26.790 -17.537 -17.215 1.00 54.44 C ATOM 386 CD1 LEU A 50 27.928 -17.350 -18.212 1.00 1.55 C ATOM 387 CD2 LEU A 50 26.733 -16.360 -16.247 1.00 54.53 C ATOM 0 H LEU A 50 25.540 -19.843 -16.594 1.00 24.21 H new ATOM 0 HA LEU A 50 24.089 -19.026 -18.850 1.00 45.55 H new ATOM 0 HB2 LEU A 50 25.438 -16.981 -18.771 1.00 24.31 H new ATOM 0 HB3 LEU A 50 24.660 -17.403 -17.259 1.00 24.31 H new ATOM 0 HG LEU A 50 26.978 -18.447 -16.645 1.00 54.44 H new ATOM 0 HD11 LEU A 50 28.869 -17.241 -17.673 1.00 1.55 H new ATOM 0 HD12 LEU A 50 27.983 -18.219 -18.868 1.00 1.55 H new ATOM 0 HD13 LEU A 50 27.746 -16.456 -18.808 1.00 1.55 H new ATOM 0 HD21 LEU A 50 27.690 -16.263 -15.735 1.00 54.53 H new ATOM 0 HD22 LEU A 50 26.523 -15.444 -16.800 1.00 54.53 H new ATOM 0 HD23 LEU A 50 25.945 -16.530 -15.513 1.00 54.53 H new ATOM 399 N PRO A 51 27.173 -20.049 -19.397 1.00 33.10 N ATOM 400 CA PRO A 51 28.101 -20.483 -20.427 1.00 1.41 C ATOM 401 C PRO A 51 27.591 -21.757 -21.085 1.00 32.13 C ATOM 402 O PRO A 51 28.075 -22.176 -22.136 1.00 34.20 O ATOM 403 CB PRO A 51 29.399 -20.734 -19.659 1.00 43.24 C ATOM 404 CG PRO A 51 28.985 -21.021 -18.252 1.00 25.33 C ATOM 405 CD PRO A 51 27.606 -20.438 -18.057 1.00 63.12 C ATOM 0 HA PRO A 51 28.230 -19.758 -21.231 1.00 1.41 H new ATOM 0 HB2 PRO A 51 29.950 -21.573 -20.084 1.00 43.24 H new ATOM 0 HB3 PRO A 51 30.056 -19.865 -19.705 1.00 43.24 H new ATOM 0 HG2 PRO A 51 28.977 -22.095 -18.066 1.00 25.33 H new ATOM 0 HG3 PRO A 51 29.691 -20.581 -17.547 1.00 25.33 H new ATOM 0 HD2 PRO A 51 26.926 -21.168 -17.618 1.00 63.12 H new ATOM 0 HD3 PRO A 51 27.630 -19.581 -17.385 1.00 63.12 H new ATOM 413 N VAL A 52 26.584 -22.349 -20.446 1.00 10.24 N ATOM 414 CA VAL A 52 25.949 -23.560 -20.929 1.00 75.05 C ATOM 415 C VAL A 52 24.589 -23.236 -21.535 1.00 4.53 C ATOM 416 O VAL A 52 23.993 -24.062 -22.221 1.00 21.04 O ATOM 417 CB VAL A 52 25.787 -24.587 -19.789 1.00 43.24 C ATOM 418 CG1 VAL A 52 24.947 -25.775 -20.226 1.00 23.13 C ATOM 419 CG2 VAL A 52 27.148 -25.045 -19.288 1.00 1.54 C ATOM 0 H VAL A 52 26.188 -21.996 -19.575 1.00 10.24 H new ATOM 0 HA VAL A 52 26.587 -23.996 -21.698 1.00 75.05 H new ATOM 0 HB VAL A 52 25.262 -24.096 -18.970 1.00 43.24 H new ATOM 0 HG11 VAL A 52 24.853 -26.478 -19.399 1.00 23.13 H new ATOM 0 HG12 VAL A 52 23.957 -25.431 -20.523 1.00 23.13 H new ATOM 0 HG13 VAL A 52 25.428 -26.270 -21.070 1.00 23.13 H new ATOM 0 HG21 VAL A 52 27.015 -25.769 -18.484 1.00 1.54 H new ATOM 0 HG22 VAL A 52 27.700 -25.508 -20.106 1.00 1.54 H new ATOM 0 HG23 VAL A 52 27.706 -24.186 -18.914 1.00 1.54 H new ATOM 429 N VAL A 53 24.127 -22.015 -21.292 1.00 50.32 N ATOM 430 CA VAL A 53 22.863 -21.540 -21.826 1.00 42.32 C ATOM 431 C VAL A 53 23.149 -20.593 -22.983 1.00 70.02 C ATOM 432 O VAL A 53 22.387 -20.515 -23.947 1.00 34.52 O ATOM 433 CB VAL A 53 22.029 -20.813 -20.751 1.00 24.25 C ATOM 434 CG1 VAL A 53 20.766 -20.215 -21.353 1.00 4.04 C ATOM 435 CG2 VAL A 53 21.683 -21.762 -19.614 1.00 53.30 C ATOM 0 H VAL A 53 24.620 -21.330 -20.720 1.00 50.32 H new ATOM 0 HA VAL A 53 22.283 -22.398 -22.167 1.00 42.32 H new ATOM 0 HB VAL A 53 22.630 -19.997 -20.350 1.00 24.25 H new ATOM 0 HG11 VAL A 53 20.196 -19.708 -20.574 1.00 4.04 H new ATOM 0 HG12 VAL A 53 21.037 -19.499 -22.129 1.00 4.04 H new ATOM 0 HG13 VAL A 53 20.159 -21.009 -21.788 1.00 4.04 H new ATOM 0 HG21 VAL A 53 21.095 -21.233 -18.865 1.00 53.30 H new ATOM 0 HG22 VAL A 53 21.105 -22.601 -20.003 1.00 53.30 H new ATOM 0 HG23 VAL A 53 22.601 -22.134 -19.158 1.00 53.30 H new ATOM 445 N VAL A 54 24.277 -19.893 -22.882 1.00 13.34 N ATOM 446 CA VAL A 54 24.699 -18.970 -23.919 1.00 3.24 C ATOM 447 C VAL A 54 25.398 -19.714 -25.034 1.00 64.53 C ATOM 448 O VAL A 54 25.205 -19.414 -26.203 1.00 51.11 O ATOM 449 CB VAL A 54 25.648 -17.883 -23.379 1.00 34.14 C ATOM 450 CG1 VAL A 54 25.005 -17.117 -22.230 1.00 2.54 C ATOM 451 CG2 VAL A 54 26.984 -18.480 -22.952 1.00 13.43 C ATOM 0 H VAL A 54 24.913 -19.952 -22.087 1.00 13.34 H new ATOM 0 HA VAL A 54 23.797 -18.486 -24.294 1.00 3.24 H new ATOM 0 HB VAL A 54 25.839 -17.179 -24.189 1.00 34.14 H new ATOM 0 HG11 VAL A 54 25.696 -16.356 -21.868 1.00 2.54 H new ATOM 0 HG12 VAL A 54 24.090 -16.639 -22.579 1.00 2.54 H new ATOM 0 HG13 VAL A 54 24.768 -17.807 -21.420 1.00 2.54 H new ATOM 0 HG21 VAL A 54 27.632 -17.689 -22.575 1.00 13.43 H new ATOM 0 HG22 VAL A 54 26.819 -19.218 -22.167 1.00 13.43 H new ATOM 0 HG23 VAL A 54 27.458 -18.961 -23.808 1.00 13.43 H new ATOM 461 N GLY A 55 26.205 -20.693 -24.659 1.00 71.24 N ATOM 462 CA GLY A 55 26.921 -21.475 -25.645 1.00 65.54 C ATOM 463 C GLY A 55 26.029 -21.902 -26.787 1.00 31.31 C ATOM 464 O GLY A 55 26.487 -22.055 -27.915 1.00 12.25 O ATOM 0 H GLY A 55 26.378 -20.961 -23.690 1.00 71.24 H new ATOM 0 HA2 GLY A 55 27.754 -20.891 -26.035 1.00 65.54 H new ATOM 0 HA3 GLY A 55 27.346 -22.358 -25.168 1.00 65.54 H new ATOM 468 N ILE A 56 24.747 -22.073 -26.493 1.00 33.30 N ATOM 469 CA ILE A 56 23.781 -22.463 -27.519 1.00 10.11 C ATOM 470 C ILE A 56 23.300 -21.232 -28.269 1.00 41.22 C ATOM 471 O ILE A 56 23.149 -21.250 -29.491 1.00 44.43 O ATOM 472 CB ILE A 56 22.560 -23.195 -26.925 1.00 73.20 C ATOM 473 CG1 ILE A 56 22.972 -24.041 -25.724 1.00 54.22 C ATOM 474 CG2 ILE A 56 21.891 -24.057 -27.985 1.00 54.40 C ATOM 475 CD1 ILE A 56 22.714 -23.355 -24.405 1.00 21.45 C ATOM 0 H ILE A 56 24.351 -21.950 -25.561 1.00 33.30 H new ATOM 0 HA ILE A 56 24.291 -23.149 -28.195 1.00 10.11 H new ATOM 0 HB ILE A 56 21.842 -22.449 -26.585 1.00 73.20 H new ATOM 0 HG12 ILE A 56 22.429 -24.986 -25.748 1.00 54.22 H new ATOM 0 HG13 ILE A 56 24.033 -24.281 -25.802 1.00 54.22 H new ATOM 0 HG21 ILE A 56 21.031 -24.567 -27.550 1.00 54.40 H new ATOM 0 HG22 ILE A 56 21.560 -23.427 -28.810 1.00 54.40 H new ATOM 0 HG23 ILE A 56 22.602 -24.796 -28.355 1.00 54.40 H new ATOM 0 HD11 ILE A 56 23.027 -24.006 -23.589 1.00 21.45 H new ATOM 0 HD12 ILE A 56 23.278 -22.423 -24.363 1.00 21.45 H new ATOM 0 HD13 ILE A 56 21.650 -23.140 -24.309 1.00 21.45 H new ATOM 487 N LYS A 57 23.090 -20.153 -27.528 1.00 21.23 N ATOM 488 CA LYS A 57 22.662 -18.899 -28.123 1.00 52.51 C ATOM 489 C LYS A 57 23.851 -18.227 -28.799 1.00 62.03 C ATOM 490 O LYS A 57 23.688 -17.398 -29.694 1.00 61.11 O ATOM 491 CB LYS A 57 22.062 -17.974 -27.060 1.00 2.12 C ATOM 492 CG LYS A 57 20.542 -17.988 -27.030 1.00 23.01 C ATOM 493 CD LYS A 57 19.970 -16.581 -26.970 1.00 63.12 C ATOM 494 CE LYS A 57 19.936 -16.052 -25.546 1.00 61.13 C ATOM 495 NZ LYS A 57 18.697 -15.274 -25.272 1.00 13.25 N ATOM 0 H LYS A 57 23.209 -20.123 -26.515 1.00 21.23 H new ATOM 0 HA LYS A 57 21.892 -19.104 -28.867 1.00 52.51 H new ATOM 0 HB2 LYS A 57 22.439 -18.267 -26.080 1.00 2.12 H new ATOM 0 HB3 LYS A 57 22.404 -16.955 -27.242 1.00 2.12 H new ATOM 0 HG2 LYS A 57 20.165 -18.497 -27.917 1.00 23.01 H new ATOM 0 HG3 LYS A 57 20.200 -18.558 -26.166 1.00 23.01 H new ATOM 0 HD2 LYS A 57 20.570 -15.917 -27.591 1.00 63.12 H new ATOM 0 HD3 LYS A 57 18.962 -16.580 -27.384 1.00 63.12 H new ATOM 0 HE2 LYS A 57 20.003 -16.886 -24.847 1.00 61.13 H new ATOM 0 HE3 LYS A 57 20.807 -15.420 -25.373 1.00 61.13 H new ATOM 0 HZ1 LYS A 57 18.713 -14.931 -24.290 1.00 13.25 H new ATOM 0 HZ2 LYS A 57 18.645 -14.463 -25.921 1.00 13.25 H new ATOM 0 HZ3 LYS A 57 17.866 -15.884 -25.412 1.00 13.25 H new ATOM 509 N ALA A 58 25.054 -18.605 -28.366 1.00 2.30 N ATOM 510 CA ALA A 58 26.277 -18.057 -28.930 1.00 24.54 C ATOM 511 C ALA A 58 26.680 -18.834 -30.180 1.00 72.01 C ATOM 512 O ALA A 58 27.312 -18.290 -31.086 1.00 62.32 O ATOM 513 CB ALA A 58 27.388 -18.081 -27.891 1.00 43.40 C ATOM 0 H ALA A 58 25.202 -19.290 -27.625 1.00 2.30 H new ATOM 0 HA ALA A 58 26.101 -17.021 -29.219 1.00 24.54 H new ATOM 0 HB1 ALA A 58 28.300 -17.669 -28.323 1.00 43.40 H new ATOM 0 HB2 ALA A 58 27.093 -17.483 -27.029 1.00 43.40 H new ATOM 0 HB3 ALA A 58 27.569 -19.109 -27.575 1.00 43.40 H new ATOM 519 N ILE A 59 26.295 -20.108 -30.224 1.00 12.21 N ATOM 520 CA ILE A 59 26.596 -20.964 -31.366 1.00 73.23 C ATOM 521 C ILE A 59 25.477 -20.894 -32.389 1.00 72.45 C ATOM 522 O ILE A 59 25.720 -20.747 -33.586 1.00 42.21 O ATOM 523 CB ILE A 59 26.810 -22.427 -30.939 1.00 44.42 C ATOM 524 CG1 ILE A 59 25.572 -22.985 -30.240 1.00 24.14 C ATOM 525 CG2 ILE A 59 28.022 -22.520 -30.035 1.00 53.42 C ATOM 526 CD1 ILE A 59 24.596 -23.660 -31.178 1.00 22.04 C ATOM 0 H ILE A 59 25.773 -20.570 -29.479 1.00 12.21 H new ATOM 0 HA ILE A 59 27.522 -20.599 -31.811 1.00 73.23 H new ATOM 0 HB ILE A 59 26.982 -23.029 -31.831 1.00 44.42 H new ATOM 0 HG12 ILE A 59 25.886 -23.701 -29.480 1.00 24.14 H new ATOM 0 HG13 ILE A 59 25.062 -22.173 -29.721 1.00 24.14 H new ATOM 0 HG21 ILE A 59 28.172 -23.557 -29.733 1.00 53.42 H new ATOM 0 HG22 ILE A 59 28.903 -22.166 -30.570 1.00 53.42 H new ATOM 0 HG23 ILE A 59 27.864 -21.904 -29.150 1.00 53.42 H new ATOM 0 HD11 ILE A 59 23.743 -24.031 -30.610 1.00 22.04 H new ATOM 0 HD12 ILE A 59 24.252 -22.943 -31.923 1.00 22.04 H new ATOM 0 HD13 ILE A 59 25.089 -24.494 -31.678 1.00 22.04 H new ATOM 538 N GLY A 60 24.246 -20.972 -31.903 1.00 70.44 N ATOM 539 CA GLY A 60 23.100 -20.885 -32.778 1.00 41.35 C ATOM 540 C GLY A 60 22.680 -19.446 -32.990 1.00 73.24 C ATOM 541 O GLY A 60 21.750 -19.165 -33.745 1.00 51.11 O ATOM 0 H GLY A 60 24.023 -21.094 -30.915 1.00 70.44 H new ATOM 0 HA2 GLY A 60 23.337 -21.342 -33.739 1.00 41.35 H new ATOM 0 HA3 GLY A 60 22.271 -21.450 -32.352 1.00 41.35 H new ATOM 545 N LYS A 61 23.377 -18.530 -32.316 1.00 44.52 N ATOM 546 CA LYS A 61 23.079 -17.107 -32.429 1.00 61.11 C ATOM 547 C LYS A 61 21.647 -16.815 -31.990 1.00 52.31 C ATOM 548 O LYS A 61 20.994 -17.734 -31.454 1.00 54.44 O ATOM 549 CB LYS A 61 23.295 -16.634 -33.869 1.00 21.50 C ATOM 550 CG LYS A 61 24.243 -15.450 -33.984 1.00 61.03 C ATOM 551 CD LYS A 61 25.637 -15.891 -34.401 1.00 30.31 C ATOM 552 CE LYS A 61 26.707 -14.990 -33.806 1.00 65.32 C ATOM 553 NZ LYS A 61 26.589 -13.588 -34.297 1.00 1.03 N ATOM 554 OXT LYS A 61 21.191 -15.668 -32.187 1.00 37.78 O ATOM 0 H LYS A 61 24.150 -18.750 -31.688 1.00 44.52 H new ATOM 0 HA LYS A 61 23.757 -16.563 -31.771 1.00 61.11 H new ATOM 0 HB2 LYS A 61 23.687 -17.462 -34.460 1.00 21.50 H new ATOM 0 HB3 LYS A 61 22.332 -16.362 -34.302 1.00 21.50 H new ATOM 0 HG2 LYS A 61 23.852 -14.739 -34.712 1.00 61.03 H new ATOM 0 HG3 LYS A 61 24.296 -14.930 -33.027 1.00 61.03 H new ATOM 0 HD2 LYS A 61 25.806 -16.919 -34.080 1.00 30.31 H new ATOM 0 HD3 LYS A 61 25.713 -15.880 -35.488 1.00 30.31 H new ATOM 0 HE2 LYS A 61 26.628 -15.002 -32.719 1.00 65.32 H new ATOM 0 HE3 LYS A 61 27.693 -15.381 -34.058 1.00 65.32 H new ATOM 0 HZ1 LYS A 61 27.385 -13.025 -33.935 1.00 1.03 H new ATOM 0 HZ2 LYS A 61 26.605 -13.582 -35.337 1.00 1.03 H new ATOM 0 HZ3 LYS A 61 25.694 -13.177 -33.962 1.00 1.03 H new