USER MOD reduce.3.24.130724 H: found=0, std=0, add=305, rem=0, adj=4 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+ -150:sc= 0 (180deg=-0.00379) USER MOD Single : A 30 LYS NZ :NH3+ 142:sc= 0.211 (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+ -116:sc= -0.0225 (180deg=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 3.033 0.306 -1.634 1.00 13.00 N ATOM 2 CA GLY A 26 2.054 -0.811 -1.733 1.00 45.03 C ATOM 3 C GLY A 26 2.702 -2.116 -2.153 1.00 52.12 C ATOM 4 O GLY A 26 3.852 -2.386 -1.807 1.00 43.33 O ATOM 0 HA2 GLY A 26 1.564 -0.946 -0.769 1.00 45.03 H new ATOM 0 HA3 GLY A 26 1.278 -0.547 -2.451 1.00 45.03 H new ATOM 10 N GLY A 27 1.962 -2.927 -2.904 1.00 52.22 N ATOM 11 CA GLY A 27 2.489 -4.200 -3.360 1.00 40.12 C ATOM 12 C GLY A 27 3.521 -4.042 -4.461 1.00 21.23 C ATOM 13 O GLY A 27 4.369 -4.913 -4.654 1.00 20.43 O ATOM 0 H GLY A 27 1.008 -2.725 -3.204 1.00 52.22 H new ATOM 0 HA2 GLY A 27 2.939 -4.726 -2.518 1.00 40.12 H new ATOM 0 HA3 GLY A 27 1.669 -4.820 -3.722 1.00 40.12 H new ATOM 17 N LEU A 28 3.449 -2.927 -5.186 1.00 72.35 N ATOM 18 CA LEU A 28 4.385 -2.655 -6.277 1.00 73.42 C ATOM 19 C LEU A 28 5.817 -2.910 -5.837 1.00 21.22 C ATOM 20 O LEU A 28 6.503 -3.784 -6.368 1.00 22.11 O ATOM 21 CB LEU A 28 4.250 -1.203 -6.736 1.00 13.40 C ATOM 22 CG LEU A 28 3.891 -0.197 -5.637 1.00 62.14 C ATOM 23 CD1 LEU A 28 4.670 1.097 -5.821 1.00 30.42 C ATOM 24 CD2 LEU A 28 2.395 0.073 -5.632 1.00 5.10 C ATOM 0 H LEU A 28 2.752 -2.197 -5.038 1.00 72.35 H new ATOM 0 HA LEU A 28 4.144 -3.325 -7.103 1.00 73.42 H new ATOM 0 HB2 LEU A 28 5.190 -0.895 -7.194 1.00 13.40 H new ATOM 0 HB3 LEU A 28 3.487 -1.155 -7.513 1.00 13.40 H new ATOM 0 HG LEU A 28 4.166 -0.626 -4.673 1.00 62.14 H new ATOM 0 HD11 LEU A 28 4.402 1.799 -5.031 1.00 30.42 H new ATOM 0 HD12 LEU A 28 5.739 0.888 -5.773 1.00 30.42 H new ATOM 0 HD13 LEU A 28 4.428 1.532 -6.791 1.00 30.42 H new ATOM 0 HD21 LEU A 28 2.157 0.789 -4.846 1.00 5.10 H new ATOM 0 HD22 LEU A 28 2.096 0.481 -6.597 1.00 5.10 H new ATOM 0 HD23 LEU A 28 1.858 -0.858 -5.449 1.00 5.10 H new ATOM 36 N LYS A 29 6.250 -2.148 -4.848 1.00 55.13 N ATOM 37 CA LYS A 29 7.591 -2.289 -4.305 1.00 60.35 C ATOM 38 C LYS A 29 7.742 -3.650 -3.635 1.00 2.22 C ATOM 39 O LYS A 29 8.849 -4.172 -3.503 1.00 14.52 O ATOM 40 CB LYS A 29 7.882 -1.173 -3.300 1.00 2.45 C ATOM 41 CG LYS A 29 9.352 -1.046 -2.939 1.00 54.40 C ATOM 42 CD LYS A 29 9.539 -0.350 -1.600 1.00 31.54 C ATOM 43 CE LYS A 29 9.522 1.162 -1.752 1.00 15.02 C ATOM 44 NZ LYS A 29 8.162 1.728 -1.527 1.00 71.32 N ATOM 0 H LYS A 29 5.690 -1.422 -4.402 1.00 55.13 H new ATOM 0 HA LYS A 29 8.308 -2.214 -5.123 1.00 60.35 H new ATOM 0 HB2 LYS A 29 7.535 -0.225 -3.712 1.00 2.45 H new ATOM 0 HB3 LYS A 29 7.308 -1.355 -2.391 1.00 2.45 H new ATOM 0 HG2 LYS A 29 9.805 -2.037 -2.902 1.00 54.40 H new ATOM 0 HG3 LYS A 29 9.872 -0.486 -3.717 1.00 54.40 H new ATOM 0 HD2 LYS A 29 8.748 -0.657 -0.915 1.00 31.54 H new ATOM 0 HD3 LYS A 29 10.484 -0.662 -1.155 1.00 31.54 H new ATOM 0 HE2 LYS A 29 10.222 1.606 -1.044 1.00 15.02 H new ATOM 0 HE3 LYS A 29 9.866 1.430 -2.751 1.00 15.02 H new ATOM 0 HZ1 LYS A 29 8.047 2.591 -2.095 1.00 71.32 H new ATOM 0 HZ2 LYS A 29 7.444 1.030 -1.809 1.00 71.32 H new ATOM 0 HZ3 LYS A 29 8.044 1.958 -0.520 1.00 71.32 H new ATOM 58 N LYS A 30 6.614 -4.221 -3.219 1.00 52.31 N ATOM 59 CA LYS A 30 6.610 -5.525 -2.567 1.00 52.21 C ATOM 60 C LYS A 30 6.931 -6.630 -3.569 1.00 1.32 C ATOM 61 O LYS A 30 7.580 -7.619 -3.231 1.00 14.30 O ATOM 62 CB LYS A 30 5.250 -5.788 -1.918 1.00 72.30 C ATOM 63 CG LYS A 30 5.344 -6.452 -0.554 1.00 65.31 C ATOM 64 CD LYS A 30 4.166 -6.078 0.331 1.00 45.51 C ATOM 65 CE LYS A 30 4.561 -5.056 1.385 1.00 74.02 C ATOM 66 NZ LYS A 30 4.739 -3.697 0.802 1.00 23.41 N ATOM 0 H LYS A 30 5.691 -3.799 -3.323 1.00 52.31 H new ATOM 0 HA LYS A 30 7.379 -5.523 -1.794 1.00 52.21 H new ATOM 0 HB2 LYS A 30 4.717 -4.843 -1.817 1.00 72.30 H new ATOM 0 HB3 LYS A 30 4.657 -6.419 -2.580 1.00 72.30 H new ATOM 0 HG2 LYS A 30 5.379 -7.534 -0.677 1.00 65.31 H new ATOM 0 HG3 LYS A 30 6.274 -6.157 -0.068 1.00 65.31 H new ATOM 0 HD2 LYS A 30 3.361 -5.675 -0.284 1.00 45.51 H new ATOM 0 HD3 LYS A 30 3.777 -6.972 0.818 1.00 45.51 H new ATOM 0 HE2 LYS A 30 3.796 -5.021 2.161 1.00 74.02 H new ATOM 0 HE3 LYS A 30 5.488 -5.369 1.865 1.00 74.02 H new ATOM 0 HZ1 LYS A 30 4.377 -2.984 1.467 1.00 23.41 H new ATOM 0 HZ2 LYS A 30 5.749 -3.525 0.625 1.00 23.41 H new ATOM 0 HZ3 LYS A 30 4.215 -3.632 -0.094 1.00 23.41 H new ATOM 80 N LEU A 31 6.472 -6.453 -4.805 1.00 15.32 N ATOM 81 CA LEU A 31 6.710 -7.434 -5.858 1.00 51.53 C ATOM 82 C LEU A 31 8.096 -7.249 -6.469 1.00 31.24 C ATOM 83 O LEU A 31 8.744 -8.217 -6.867 1.00 42.25 O ATOM 84 CB LEU A 31 5.638 -7.316 -6.945 1.00 51.42 C ATOM 85 CG LEU A 31 5.860 -8.201 -8.174 1.00 62.12 C ATOM 86 CD1 LEU A 31 5.864 -9.669 -7.781 1.00 32.15 C ATOM 87 CD2 LEU A 31 4.792 -7.930 -9.223 1.00 12.23 C ATOM 0 H LEU A 31 5.933 -5.639 -5.101 1.00 15.32 H new ATOM 0 HA LEU A 31 6.659 -8.428 -5.414 1.00 51.53 H new ATOM 0 HB2 LEU A 31 4.671 -7.564 -6.508 1.00 51.42 H new ATOM 0 HB3 LEU A 31 5.584 -6.277 -7.270 1.00 51.42 H new ATOM 0 HG LEU A 31 6.833 -7.959 -8.603 1.00 62.12 H new ATOM 0 HD11 LEU A 31 6.023 -10.283 -8.668 1.00 32.15 H new ATOM 0 HD12 LEU A 31 6.665 -9.852 -7.065 1.00 32.15 H new ATOM 0 HD13 LEU A 31 4.907 -9.927 -7.328 1.00 32.15 H new ATOM 0 HD21 LEU A 31 4.964 -8.567 -10.090 1.00 12.23 H new ATOM 0 HD22 LEU A 31 3.809 -8.144 -8.805 1.00 12.23 H new ATOM 0 HD23 LEU A 31 4.837 -6.884 -9.526 1.00 12.23 H new ATOM 99 N GLY A 32 8.540 -6.000 -6.544 1.00 33.31 N ATOM 100 CA GLY A 32 9.843 -5.708 -7.112 1.00 30.35 C ATOM 101 C GLY A 32 10.986 -6.071 -6.181 1.00 73.34 C ATOM 102 O GLY A 32 12.116 -6.266 -6.626 1.00 32.43 O ATOM 0 H GLY A 32 8.021 -5.183 -6.221 1.00 33.31 H new ATOM 0 HA2 GLY A 32 9.956 -6.254 -8.049 1.00 30.35 H new ATOM 0 HA3 GLY A 32 9.900 -4.646 -7.353 1.00 30.35 H new ATOM 106 N LYS A 33 10.694 -6.157 -4.885 1.00 42.12 N ATOM 107 CA LYS A 33 11.712 -6.494 -3.896 1.00 34.34 C ATOM 108 C LYS A 33 11.710 -7.990 -3.591 1.00 5.12 C ATOM 109 O LYS A 33 12.762 -8.626 -3.556 1.00 13.23 O ATOM 110 CB LYS A 33 11.483 -5.699 -2.608 1.00 3.43 C ATOM 111 CG LYS A 33 12.323 -4.435 -2.515 1.00 2.43 C ATOM 112 CD LYS A 33 12.501 -3.990 -1.072 1.00 71.41 C ATOM 113 CE LYS A 33 11.507 -2.903 -0.697 1.00 3.40 C ATOM 114 NZ LYS A 33 11.054 -3.028 0.716 1.00 33.04 N ATOM 0 H LYS A 33 9.764 -5.998 -4.497 1.00 42.12 H new ATOM 0 HA LYS A 33 12.685 -6.231 -4.312 1.00 34.34 H new ATOM 0 HB2 LYS A 33 10.429 -5.430 -2.539 1.00 3.43 H new ATOM 0 HB3 LYS A 33 11.706 -6.337 -1.753 1.00 3.43 H new ATOM 0 HG2 LYS A 33 13.300 -4.612 -2.966 1.00 2.43 H new ATOM 0 HG3 LYS A 33 11.848 -3.638 -3.087 1.00 2.43 H new ATOM 0 HD2 LYS A 33 12.374 -4.845 -0.408 1.00 71.41 H new ATOM 0 HD3 LYS A 33 13.517 -3.622 -0.926 1.00 71.41 H new ATOM 0 HE2 LYS A 33 11.965 -1.925 -0.846 1.00 3.40 H new ATOM 0 HE3 LYS A 33 10.644 -2.955 -1.361 1.00 3.40 H new ATOM 0 HZ1 LYS A 33 10.377 -2.268 0.932 1.00 33.04 H new ATOM 0 HZ2 LYS A 33 10.594 -3.951 0.853 1.00 33.04 H new ATOM 0 HZ3 LYS A 33 11.874 -2.952 1.351 1.00 33.04 H new ATOM 128 N LYS A 34 10.523 -8.544 -3.369 1.00 44.02 N ATOM 129 CA LYS A 34 10.388 -9.965 -3.063 1.00 43.03 C ATOM 130 C LYS A 34 10.993 -10.819 -4.172 1.00 51.52 C ATOM 131 O LYS A 34 11.799 -11.713 -3.915 1.00 1.01 O ATOM 132 CB LYS A 34 8.913 -10.327 -2.862 1.00 24.52 C ATOM 133 CG LYS A 34 8.087 -10.328 -4.139 1.00 41.12 C ATOM 134 CD LYS A 34 6.608 -10.523 -3.845 1.00 72.10 C ATOM 135 CE LYS A 34 5.954 -11.446 -4.860 1.00 52.53 C ATOM 136 NZ LYS A 34 4.948 -12.343 -4.228 1.00 54.43 N ATOM 0 H LYS A 34 9.641 -8.032 -3.395 1.00 44.02 H new ATOM 0 HA LYS A 34 10.931 -10.168 -2.140 1.00 43.03 H new ATOM 0 HB2 LYS A 34 8.853 -11.314 -2.404 1.00 24.52 H new ATOM 0 HB3 LYS A 34 8.471 -9.622 -2.158 1.00 24.52 H new ATOM 0 HG2 LYS A 34 8.233 -9.387 -4.669 1.00 41.12 H new ATOM 0 HG3 LYS A 34 8.436 -11.122 -4.799 1.00 41.12 H new ATOM 0 HD2 LYS A 34 6.487 -10.937 -2.844 1.00 72.10 H new ATOM 0 HD3 LYS A 34 6.104 -9.557 -3.853 1.00 72.10 H new ATOM 0 HE2 LYS A 34 5.473 -10.850 -5.635 1.00 52.53 H new ATOM 0 HE3 LYS A 34 6.720 -12.048 -5.350 1.00 52.53 H new ATOM 0 HZ1 LYS A 34 4.525 -12.956 -4.954 1.00 54.43 H new ATOM 0 HZ2 LYS A 34 5.412 -12.930 -3.506 1.00 54.43 H new ATOM 0 HZ3 LYS A 34 4.203 -11.770 -3.782 1.00 54.43 H new ATOM 150 N LEU A 35 10.598 -10.529 -5.402 1.00 24.40 N ATOM 151 CA LEU A 35 11.095 -11.261 -6.562 1.00 30.13 C ATOM 152 C LEU A 35 12.593 -11.040 -6.742 1.00 51.31 C ATOM 153 O LEU A 35 13.340 -11.976 -7.028 1.00 41.42 O ATOM 154 CB LEU A 35 10.352 -10.821 -7.826 1.00 20.04 C ATOM 155 CG LEU A 35 10.295 -11.857 -8.953 1.00 5.40 C ATOM 156 CD1 LEU A 35 9.919 -11.189 -10.266 1.00 5.11 C ATOM 157 CD2 LEU A 35 11.626 -12.585 -9.092 1.00 45.34 C ATOM 0 H LEU A 35 9.932 -9.789 -5.626 1.00 24.40 H new ATOM 0 HA LEU A 35 10.917 -12.323 -6.393 1.00 30.13 H new ATOM 0 HB2 LEU A 35 9.332 -10.552 -7.552 1.00 20.04 H new ATOM 0 HB3 LEU A 35 10.827 -9.918 -8.210 1.00 20.04 H new ATOM 0 HG LEU A 35 9.531 -12.592 -8.701 1.00 5.40 H new ATOM 0 HD11 LEU A 35 9.882 -11.937 -11.058 1.00 5.11 H new ATOM 0 HD12 LEU A 35 8.941 -10.717 -10.167 1.00 5.11 H new ATOM 0 HD13 LEU A 35 10.663 -10.433 -10.516 1.00 5.11 H new ATOM 0 HD21 LEU A 35 11.559 -13.315 -9.899 1.00 45.34 H new ATOM 0 HD22 LEU A 35 12.413 -11.865 -9.318 1.00 45.34 H new ATOM 0 HD23 LEU A 35 11.860 -13.097 -8.158 1.00 45.34 H new ATOM 169 N GLU A 36 13.024 -9.795 -6.577 1.00 41.52 N ATOM 170 CA GLU A 36 14.431 -9.444 -6.726 1.00 22.42 C ATOM 171 C GLU A 36 15.302 -10.256 -5.772 1.00 25.44 C ATOM 172 O GLU A 36 16.397 -10.689 -6.133 1.00 30.13 O ATOM 173 CB GLU A 36 14.633 -7.948 -6.474 1.00 4.15 C ATOM 174 CG GLU A 36 14.800 -7.135 -7.748 1.00 61.33 C ATOM 175 CD GLU A 36 16.169 -6.492 -7.857 1.00 23.02 C ATOM 176 OE1 GLU A 36 17.146 -7.088 -7.354 1.00 14.01 O ATOM 177 OE2 GLU A 36 16.265 -5.394 -8.443 1.00 54.43 O ATOM 0 H GLU A 36 12.418 -9.010 -6.339 1.00 41.52 H new ATOM 0 HA GLU A 36 14.731 -9.678 -7.747 1.00 22.42 H new ATOM 0 HB2 GLU A 36 13.779 -7.563 -5.916 1.00 4.15 H new ATOM 0 HB3 GLU A 36 15.513 -7.809 -5.846 1.00 4.15 H new ATOM 0 HG2 GLU A 36 14.637 -7.781 -8.610 1.00 61.33 H new ATOM 0 HG3 GLU A 36 14.035 -6.359 -7.782 1.00 61.33 H new ATOM 184 N GLY A 37 14.811 -10.459 -4.554 1.00 43.33 N ATOM 185 CA GLY A 37 15.558 -11.217 -3.567 1.00 34.34 C ATOM 186 C GLY A 37 15.973 -12.585 -4.073 1.00 12.24 C ATOM 187 O GLY A 37 17.098 -13.025 -3.841 1.00 74.43 O ATOM 0 H GLY A 37 13.908 -10.112 -4.232 1.00 43.33 H new ATOM 0 HA2 GLY A 37 16.447 -10.655 -3.280 1.00 34.34 H new ATOM 0 HA3 GLY A 37 14.951 -11.335 -2.669 1.00 34.34 H new ATOM 191 N ALA A 38 15.061 -13.258 -4.768 1.00 44.14 N ATOM 192 CA ALA A 38 15.340 -14.583 -5.308 1.00 4.13 C ATOM 193 C ALA A 38 16.388 -14.509 -6.413 1.00 53.20 C ATOM 194 O ALA A 38 17.334 -15.297 -6.441 1.00 30.11 O ATOM 195 CB ALA A 38 14.061 -15.220 -5.830 1.00 54.03 C ATOM 0 H ALA A 38 14.124 -12.908 -4.970 1.00 44.14 H new ATOM 0 HA ALA A 38 15.737 -15.204 -4.505 1.00 4.13 H new ATOM 0 HB1 ALA A 38 14.284 -16.209 -6.230 1.00 54.03 H new ATOM 0 HB2 ALA A 38 13.342 -15.312 -5.016 1.00 54.03 H new ATOM 0 HB3 ALA A 38 13.639 -14.596 -6.618 1.00 54.03 H new ATOM 201 N GLY A 39 16.212 -13.555 -7.321 1.00 63.32 N ATOM 202 CA GLY A 39 17.146 -13.388 -8.420 1.00 22.33 C ATOM 203 C GLY A 39 18.579 -13.220 -7.950 1.00 35.24 C ATOM 204 O GLY A 39 19.510 -13.671 -8.617 1.00 42.50 O ATOM 0 H GLY A 39 15.437 -12.892 -7.315 1.00 63.32 H new ATOM 0 HA2 GLY A 39 17.083 -14.254 -9.079 1.00 22.33 H new ATOM 0 HA3 GLY A 39 16.856 -12.517 -9.008 1.00 22.33 H new ATOM 208 N LYS A 40 18.759 -12.572 -6.802 1.00 14.53 N ATOM 209 CA LYS A 40 20.097 -12.357 -6.258 1.00 71.33 C ATOM 210 C LYS A 40 20.746 -13.687 -5.902 1.00 72.44 C ATOM 211 O LYS A 40 21.943 -13.871 -6.095 1.00 11.11 O ATOM 212 CB LYS A 40 20.053 -11.455 -5.022 1.00 2.10 C ATOM 213 CG LYS A 40 18.978 -10.379 -5.079 1.00 13.32 C ATOM 214 CD LYS A 40 19.526 -9.018 -4.679 1.00 23.04 C ATOM 215 CE LYS A 40 20.293 -8.369 -5.820 1.00 31.44 C ATOM 216 NZ LYS A 40 21.181 -7.274 -5.341 1.00 52.31 N ATOM 0 H LYS A 40 18.003 -12.190 -6.235 1.00 14.53 H new ATOM 0 HA LYS A 40 20.692 -11.862 -7.025 1.00 71.33 H new ATOM 0 HB2 LYS A 40 19.888 -12.073 -4.140 1.00 2.10 H new ATOM 0 HB3 LYS A 40 21.025 -10.977 -4.899 1.00 2.10 H new ATOM 0 HG2 LYS A 40 18.570 -10.325 -6.088 1.00 13.32 H new ATOM 0 HG3 LYS A 40 18.156 -10.650 -4.417 1.00 13.32 H new ATOM 0 HD2 LYS A 40 18.705 -8.369 -4.376 1.00 23.04 H new ATOM 0 HD3 LYS A 40 20.181 -9.128 -3.815 1.00 23.04 H new ATOM 0 HE2 LYS A 40 20.891 -9.124 -6.331 1.00 31.44 H new ATOM 0 HE3 LYS A 40 19.589 -7.972 -6.551 1.00 31.44 H new ATOM 0 HZ1 LYS A 40 21.686 -6.858 -6.149 1.00 52.31 H new ATOM 0 HZ2 LYS A 40 20.608 -6.541 -4.876 1.00 52.31 H new ATOM 0 HZ3 LYS A 40 21.870 -7.657 -4.663 1.00 52.31 H new ATOM 230 N ARG A 41 19.944 -14.612 -5.386 1.00 54.34 N ATOM 231 CA ARG A 41 20.439 -15.933 -5.015 1.00 4.51 C ATOM 232 C ARG A 41 20.520 -16.831 -6.245 1.00 22.14 C ATOM 233 O ARG A 41 21.545 -17.458 -6.511 1.00 34.11 O ATOM 234 CB ARG A 41 19.524 -16.571 -3.964 1.00 14.12 C ATOM 235 CG ARG A 41 19.837 -18.034 -3.681 1.00 25.14 C ATOM 236 CD ARG A 41 19.146 -18.960 -4.674 1.00 72.12 C ATOM 237 NE ARG A 41 18.960 -20.303 -4.130 1.00 23.34 N ATOM 238 CZ ARG A 41 18.765 -21.386 -4.879 1.00 62.11 C ATOM 239 NH1 ARG A 41 18.722 -21.290 -6.201 1.00 23.13 N ATOM 240 NH2 ARG A 41 18.611 -22.570 -4.302 1.00 34.11 N ATOM 0 H ARG A 41 18.948 -14.472 -5.215 1.00 54.34 H new ATOM 0 HA ARG A 41 21.437 -15.821 -4.591 1.00 4.51 H new ATOM 0 HB2 ARG A 41 19.604 -16.006 -3.035 1.00 14.12 H new ATOM 0 HB3 ARG A 41 18.490 -16.489 -4.299 1.00 14.12 H new ATOM 0 HG2 ARG A 41 20.915 -18.191 -3.726 1.00 25.14 H new ATOM 0 HG3 ARG A 41 19.521 -18.285 -2.669 1.00 25.14 H new ATOM 0 HD2 ARG A 41 18.177 -18.542 -4.946 1.00 72.12 H new ATOM 0 HD3 ARG A 41 19.737 -19.017 -5.588 1.00 72.12 H new ATOM 0 HE ARG A 41 18.981 -20.418 -3.117 1.00 23.34 H new ATOM 0 HH11 ARG A 41 18.839 -20.382 -6.650 1.00 23.13 H new ATOM 0 HH12 ARG A 41 18.572 -22.124 -6.768 1.00 23.13 H new ATOM 0 HH21 ARG A 41 18.642 -22.650 -3.286 1.00 34.11 H new ATOM 0 HH22 ARG A 41 18.461 -23.401 -4.875 1.00 34.11 H new ATOM 254 N VAL A 42 19.416 -16.889 -6.979 1.00 62.12 N ATOM 255 CA VAL A 42 19.323 -17.709 -8.181 1.00 74.44 C ATOM 256 C VAL A 42 20.399 -17.348 -9.194 1.00 31.02 C ATOM 257 O VAL A 42 20.765 -18.163 -10.040 1.00 2.34 O ATOM 258 CB VAL A 42 17.945 -17.558 -8.844 1.00 22.34 C ATOM 259 CG1 VAL A 42 17.759 -18.594 -9.943 1.00 72.21 C ATOM 260 CG2 VAL A 42 16.844 -17.666 -7.802 1.00 21.32 C ATOM 0 H VAL A 42 18.564 -16.372 -6.760 1.00 62.12 H new ATOM 0 HA VAL A 42 19.468 -18.743 -7.867 1.00 74.44 H new ATOM 0 HB VAL A 42 17.887 -16.571 -9.303 1.00 22.34 H new ATOM 0 HG11 VAL A 42 16.777 -18.469 -10.399 1.00 72.21 H new ATOM 0 HG12 VAL A 42 18.530 -18.462 -10.702 1.00 72.21 H new ATOM 0 HG13 VAL A 42 17.836 -19.594 -9.517 1.00 72.21 H new ATOM 0 HG21 VAL A 42 15.873 -17.557 -8.286 1.00 21.32 H new ATOM 0 HG22 VAL A 42 16.899 -18.639 -7.314 1.00 21.32 H new ATOM 0 HG23 VAL A 42 16.969 -16.879 -7.058 1.00 21.32 H new ATOM 270 N PHE A 43 20.907 -16.123 -9.107 1.00 72.42 N ATOM 271 CA PHE A 43 21.944 -15.664 -10.023 1.00 10.32 C ATOM 272 C PHE A 43 23.073 -16.692 -10.121 1.00 4.13 C ATOM 273 O PHE A 43 23.756 -16.782 -11.140 1.00 15.32 O ATOM 274 CB PHE A 43 22.484 -14.302 -9.569 1.00 14.11 C ATOM 275 CG PHE A 43 23.656 -14.384 -8.633 1.00 1.14 C ATOM 276 CD1 PHE A 43 23.603 -15.180 -7.502 1.00 72.35 C ATOM 277 CD2 PHE A 43 24.806 -13.663 -8.889 1.00 30.45 C ATOM 278 CE1 PHE A 43 24.679 -15.255 -6.641 1.00 74.31 C ATOM 279 CE2 PHE A 43 25.888 -13.731 -8.031 1.00 31.42 C ATOM 280 CZ PHE A 43 25.824 -14.529 -6.904 1.00 5.34 C ATOM 0 H PHE A 43 20.618 -15.433 -8.414 1.00 72.42 H new ATOM 0 HA PHE A 43 21.507 -15.550 -11.015 1.00 10.32 H new ATOM 0 HB2 PHE A 43 22.776 -13.728 -10.449 1.00 14.11 H new ATOM 0 HB3 PHE A 43 21.681 -13.750 -9.080 1.00 14.11 H new ATOM 0 HD1 PHE A 43 22.710 -15.749 -7.291 1.00 72.35 H new ATOM 0 HD2 PHE A 43 24.861 -13.039 -9.769 1.00 30.45 H new ATOM 0 HE1 PHE A 43 24.626 -15.881 -5.762 1.00 74.31 H new ATOM 0 HE2 PHE A 43 26.781 -13.162 -8.241 1.00 31.42 H new ATOM 0 HZ PHE A 43 26.667 -14.585 -6.231 1.00 5.34 H new ATOM 290 N LYS A 44 23.250 -17.472 -9.056 1.00 15.51 N ATOM 291 CA LYS A 44 24.279 -18.502 -9.018 1.00 55.21 C ATOM 292 C LYS A 44 23.786 -19.760 -9.721 1.00 0.12 C ATOM 293 O LYS A 44 24.554 -20.460 -10.381 1.00 73.43 O ATOM 294 CB LYS A 44 24.660 -18.821 -7.569 1.00 44.34 C ATOM 295 CG LYS A 44 26.146 -18.675 -7.286 1.00 23.41 C ATOM 296 CD LYS A 44 26.465 -18.951 -5.827 1.00 63.51 C ATOM 297 CE LYS A 44 27.921 -19.343 -5.638 1.00 51.21 C ATOM 298 NZ LYS A 44 28.748 -18.199 -5.164 1.00 2.25 N ATOM 0 H LYS A 44 22.690 -17.407 -8.206 1.00 15.51 H new ATOM 0 HA LYS A 44 25.163 -18.132 -9.537 1.00 55.21 H new ATOM 0 HB2 LYS A 44 24.105 -18.161 -6.902 1.00 44.34 H new ATOM 0 HB3 LYS A 44 24.353 -19.841 -7.337 1.00 44.34 H new ATOM 0 HG2 LYS A 44 26.707 -19.363 -7.919 1.00 23.41 H new ATOM 0 HG3 LYS A 44 26.470 -17.667 -7.546 1.00 23.41 H new ATOM 0 HD2 LYS A 44 26.246 -18.064 -5.232 1.00 63.51 H new ATOM 0 HD3 LYS A 44 25.822 -19.750 -5.458 1.00 63.51 H new ATOM 0 HE2 LYS A 44 27.986 -20.160 -4.920 1.00 51.21 H new ATOM 0 HE3 LYS A 44 28.322 -19.715 -6.581 1.00 51.21 H new ATOM 0 HZ1 LYS A 44 29.734 -18.508 -5.048 1.00 2.25 H new ATOM 0 HZ2 LYS A 44 28.707 -17.428 -5.861 1.00 2.25 H new ATOM 0 HZ3 LYS A 44 28.382 -17.860 -4.252 1.00 2.25 H new ATOM 312 N ALA A 45 22.491 -20.028 -9.586 1.00 42.25 N ATOM 313 CA ALA A 45 21.880 -21.187 -10.217 1.00 60.31 C ATOM 314 C ALA A 45 21.929 -21.043 -11.732 1.00 42.23 C ATOM 315 O ALA A 45 22.139 -22.017 -12.456 1.00 73.11 O ATOM 316 CB ALA A 45 20.444 -21.351 -9.738 1.00 60.14 C ATOM 0 H ALA A 45 21.845 -19.455 -9.043 1.00 42.25 H new ATOM 0 HA ALA A 45 22.439 -22.080 -9.936 1.00 60.31 H new ATOM 0 HB1 ALA A 45 19.998 -22.222 -10.218 1.00 60.14 H new ATOM 0 HB2 ALA A 45 20.435 -21.488 -8.657 1.00 60.14 H new ATOM 0 HB3 ALA A 45 19.870 -20.461 -9.996 1.00 60.14 H new ATOM 322 N SER A 46 21.747 -19.812 -12.200 1.00 45.12 N ATOM 323 CA SER A 46 21.785 -19.520 -13.626 1.00 72.55 C ATOM 324 C SER A 46 23.222 -19.295 -14.078 1.00 31.02 C ATOM 325 O SER A 46 23.593 -19.633 -15.201 1.00 44.42 O ATOM 326 CB SER A 46 20.937 -18.288 -13.941 1.00 32.42 C ATOM 327 OG SER A 46 20.260 -18.435 -15.177 1.00 23.25 O ATOM 0 H SER A 46 21.571 -18.999 -11.609 1.00 45.12 H new ATOM 0 HA SER A 46 21.374 -20.373 -14.166 1.00 72.55 H new ATOM 0 HB2 SER A 46 20.212 -18.128 -13.143 1.00 32.42 H new ATOM 0 HB3 SER A 46 21.574 -17.404 -13.975 1.00 32.42 H new ATOM 0 HG SER A 46 19.724 -17.634 -15.354 1.00 23.25 H new ATOM 333 N GLU A 47 24.031 -18.726 -13.186 1.00 14.22 N ATOM 334 CA GLU A 47 25.434 -18.462 -13.486 1.00 13.10 C ATOM 335 C GLU A 47 26.153 -19.757 -13.842 1.00 62.30 C ATOM 336 O GLU A 47 27.025 -19.778 -14.711 1.00 22.45 O ATOM 337 CB GLU A 47 26.119 -17.795 -12.291 1.00 62.34 C ATOM 338 CG GLU A 47 26.272 -16.290 -12.440 1.00 22.44 C ATOM 339 CD GLU A 47 27.573 -15.902 -13.115 1.00 31.22 C ATOM 340 OE1 GLU A 47 28.638 -16.044 -12.479 1.00 73.15 O ATOM 341 OE2 GLU A 47 27.527 -15.455 -14.281 1.00 14.20 O ATOM 0 H GLU A 47 23.738 -18.440 -12.252 1.00 14.22 H new ATOM 0 HA GLU A 47 25.482 -17.787 -14.340 1.00 13.10 H new ATOM 0 HB2 GLU A 47 25.544 -18.006 -11.389 1.00 62.34 H new ATOM 0 HB3 GLU A 47 27.104 -18.240 -12.153 1.00 62.34 H new ATOM 0 HG2 GLU A 47 25.435 -15.899 -13.019 1.00 22.44 H new ATOM 0 HG3 GLU A 47 26.224 -15.824 -11.456 1.00 22.44 H new ATOM 348 N LYS A 48 25.778 -20.836 -13.161 1.00 71.52 N ATOM 349 CA LYS A 48 26.384 -22.139 -13.403 1.00 74.43 C ATOM 350 C LYS A 48 26.042 -22.644 -14.801 1.00 24.34 C ATOM 351 O LYS A 48 26.827 -23.360 -15.422 1.00 72.52 O ATOM 352 CB LYS A 48 25.915 -23.147 -12.350 1.00 2.33 C ATOM 353 CG LYS A 48 27.046 -23.717 -11.509 1.00 3.25 C ATOM 354 CD LYS A 48 27.572 -22.693 -10.516 1.00 22.31 C ATOM 355 CE LYS A 48 28.984 -23.030 -10.065 1.00 43.54 C ATOM 356 NZ LYS A 48 29.791 -21.806 -9.802 1.00 52.24 N ATOM 0 H LYS A 48 25.058 -20.833 -12.438 1.00 71.52 H new ATOM 0 HA LYS A 48 27.466 -22.030 -13.331 1.00 74.43 H new ATOM 0 HB2 LYS A 48 25.192 -22.664 -11.693 1.00 2.33 H new ATOM 0 HB3 LYS A 48 25.395 -23.965 -12.848 1.00 2.33 H new ATOM 0 HG2 LYS A 48 26.694 -24.598 -10.973 1.00 3.25 H new ATOM 0 HG3 LYS A 48 27.857 -24.043 -12.161 1.00 3.25 H new ATOM 0 HD2 LYS A 48 27.561 -21.703 -10.972 1.00 22.31 H new ATOM 0 HD3 LYS A 48 26.912 -22.652 -9.650 1.00 22.31 H new ATOM 0 HE2 LYS A 48 28.941 -23.637 -9.161 1.00 43.54 H new ATOM 0 HE3 LYS A 48 29.475 -23.631 -10.830 1.00 43.54 H new ATOM 0 HZ1 LYS A 48 30.747 -22.079 -9.497 1.00 52.24 H new ATOM 0 HZ2 LYS A 48 29.854 -21.238 -10.671 1.00 52.24 H new ATOM 0 HZ3 LYS A 48 29.336 -21.244 -9.054 1.00 52.24 H new ATOM 370 N ALA A 49 24.866 -22.265 -15.292 1.00 53.12 N ATOM 371 CA ALA A 49 24.425 -22.680 -16.618 1.00 5.35 C ATOM 372 C ALA A 49 24.523 -21.544 -17.622 1.00 64.52 C ATOM 373 O ALA A 49 23.984 -21.648 -18.719 1.00 32.31 O ATOM 374 CB ALA A 49 23.004 -23.203 -16.574 1.00 23.34 C ATOM 0 H ALA A 49 24.203 -21.672 -14.792 1.00 53.12 H new ATOM 0 HA ALA A 49 25.090 -23.481 -16.942 1.00 5.35 H new ATOM 0 HB1 ALA A 49 22.697 -23.507 -17.575 1.00 23.34 H new ATOM 0 HB2 ALA A 49 22.952 -24.060 -15.903 1.00 23.34 H new ATOM 0 HB3 ALA A 49 22.339 -22.419 -16.213 1.00 23.34 H new ATOM 380 N LEU A 50 25.224 -20.466 -17.271 1.00 1.11 N ATOM 381 CA LEU A 50 25.373 -19.355 -18.204 1.00 4.24 C ATOM 382 C LEU A 50 26.006 -19.849 -19.494 1.00 63.25 C ATOM 383 O LEU A 50 25.553 -19.527 -20.583 1.00 44.41 O ATOM 384 CB LEU A 50 26.187 -18.207 -17.601 1.00 43.33 C ATOM 385 CG LEU A 50 26.494 -17.047 -18.549 1.00 25.33 C ATOM 386 CD1 LEU A 50 26.317 -15.714 -17.839 1.00 15.31 C ATOM 387 CD2 LEU A 50 27.906 -17.174 -19.105 1.00 0.03 C ATOM 0 H LEU A 50 25.686 -20.341 -16.370 1.00 1.11 H new ATOM 0 HA LEU A 50 24.381 -18.960 -18.421 1.00 4.24 H new ATOM 0 HB2 LEU A 50 25.647 -17.815 -16.739 1.00 43.33 H new ATOM 0 HB3 LEU A 50 27.130 -18.609 -17.230 1.00 43.33 H new ATOM 0 HG LEU A 50 25.791 -17.087 -19.381 1.00 25.33 H new ATOM 0 HD11 LEU A 50 26.540 -14.901 -18.530 1.00 15.31 H new ATOM 0 HD12 LEU A 50 25.289 -15.621 -17.490 1.00 15.31 H new ATOM 0 HD13 LEU A 50 26.995 -15.662 -16.987 1.00 15.31 H new ATOM 0 HD21 LEU A 50 28.108 -16.341 -19.778 1.00 0.03 H new ATOM 0 HD22 LEU A 50 28.623 -17.160 -18.284 1.00 0.03 H new ATOM 0 HD23 LEU A 50 27.999 -18.112 -19.652 1.00 0.03 H new ATOM 399 N PRO A 51 27.022 -20.699 -19.371 1.00 2.25 N ATOM 400 CA PRO A 51 27.685 -21.309 -20.516 1.00 5.14 C ATOM 401 C PRO A 51 26.714 -22.231 -21.245 1.00 1.01 C ATOM 402 O PRO A 51 26.853 -22.500 -22.437 1.00 2.22 O ATOM 403 CB PRO A 51 28.835 -22.124 -19.904 1.00 23.44 C ATOM 404 CG PRO A 51 28.876 -21.771 -18.450 1.00 73.13 C ATOM 405 CD PRO A 51 27.539 -21.180 -18.099 1.00 23.25 C ATOM 0 HA PRO A 51 28.037 -20.574 -21.240 1.00 5.14 H new ATOM 0 HB2 PRO A 51 28.669 -23.193 -20.040 1.00 23.44 H new ATOM 0 HB3 PRO A 51 29.782 -21.885 -20.389 1.00 23.44 H new ATOM 0 HG2 PRO A 51 29.077 -22.655 -17.845 1.00 73.13 H new ATOM 0 HG3 PRO A 51 29.676 -21.059 -18.249 1.00 73.13 H new ATOM 0 HD2 PRO A 51 26.878 -21.924 -17.655 1.00 23.25 H new ATOM 0 HD3 PRO A 51 27.638 -20.370 -17.376 1.00 23.25 H new ATOM 413 N VAL A 52 25.722 -22.704 -20.491 1.00 41.11 N ATOM 414 CA VAL A 52 24.693 -23.593 -21.005 1.00 30.40 C ATOM 415 C VAL A 52 23.460 -22.814 -21.447 1.00 43.34 C ATOM 416 O VAL A 52 22.616 -23.338 -22.168 1.00 21.33 O ATOM 417 CB VAL A 52 24.299 -24.631 -19.933 1.00 33.22 C ATOM 418 CG1 VAL A 52 23.091 -25.444 -20.360 1.00 62.25 C ATOM 419 CG2 VAL A 52 25.476 -25.541 -19.616 1.00 73.54 C ATOM 0 H VAL A 52 25.613 -22.477 -19.502 1.00 41.11 H new ATOM 0 HA VAL A 52 25.102 -24.109 -21.874 1.00 30.40 H new ATOM 0 HB VAL A 52 24.025 -24.088 -19.029 1.00 33.22 H new ATOM 0 HG11 VAL A 52 22.843 -26.164 -19.580 1.00 62.25 H new ATOM 0 HG12 VAL A 52 22.243 -24.778 -20.522 1.00 62.25 H new ATOM 0 HG13 VAL A 52 23.318 -25.974 -21.285 1.00 62.25 H new ATOM 0 HG21 VAL A 52 25.181 -26.267 -18.858 1.00 73.54 H new ATOM 0 HG22 VAL A 52 25.784 -26.065 -20.520 1.00 73.54 H new ATOM 0 HG23 VAL A 52 26.307 -24.944 -19.242 1.00 73.54 H new ATOM 429 N VAL A 53 23.380 -21.558 -21.026 1.00 62.24 N ATOM 430 CA VAL A 53 22.277 -20.688 -21.394 1.00 1.50 C ATOM 431 C VAL A 53 22.728 -19.768 -22.519 1.00 21.53 C ATOM 432 O VAL A 53 21.935 -19.344 -23.360 1.00 25.42 O ATOM 433 CB VAL A 53 21.799 -19.843 -20.195 1.00 53.54 C ATOM 434 CG1 VAL A 53 20.662 -18.919 -20.603 1.00 51.40 C ATOM 435 CG2 VAL A 53 21.376 -20.744 -19.045 1.00 40.43 C ATOM 0 H VAL A 53 24.075 -21.118 -20.423 1.00 62.24 H new ATOM 0 HA VAL A 53 21.442 -21.307 -21.720 1.00 1.50 H new ATOM 0 HB VAL A 53 22.631 -19.224 -19.859 1.00 53.54 H new ATOM 0 HG11 VAL A 53 20.342 -18.334 -19.741 1.00 51.40 H new ATOM 0 HG12 VAL A 53 21.004 -18.248 -21.391 1.00 51.40 H new ATOM 0 HG13 VAL A 53 19.825 -19.513 -20.970 1.00 51.40 H new ATOM 0 HG21 VAL A 53 21.042 -20.132 -18.207 1.00 40.43 H new ATOM 0 HG22 VAL A 53 20.561 -21.391 -19.370 1.00 40.43 H new ATOM 0 HG23 VAL A 53 22.222 -21.356 -18.732 1.00 40.43 H new ATOM 445 N VAL A 54 24.027 -19.483 -22.525 1.00 64.53 N ATOM 446 CA VAL A 54 24.630 -18.639 -23.537 1.00 51.42 C ATOM 447 C VAL A 54 24.923 -19.437 -24.786 1.00 22.31 C ATOM 448 O VAL A 54 24.693 -18.974 -25.893 1.00 30.20 O ATOM 449 CB VAL A 54 25.942 -18.003 -23.039 1.00 70.34 C ATOM 450 CG1 VAL A 54 25.727 -17.249 -21.734 1.00 33.33 C ATOM 451 CG2 VAL A 54 27.029 -19.058 -22.869 1.00 45.24 C ATOM 0 H VAL A 54 24.685 -19.832 -21.828 1.00 64.53 H new ATOM 0 HA VAL A 54 23.915 -17.846 -23.758 1.00 51.42 H new ATOM 0 HB VAL A 54 26.269 -17.289 -23.795 1.00 70.34 H new ATOM 0 HG11 VAL A 54 26.670 -16.811 -21.407 1.00 33.33 H new ATOM 0 HG12 VAL A 54 24.993 -16.458 -21.888 1.00 33.33 H new ATOM 0 HG13 VAL A 54 25.363 -17.938 -20.972 1.00 33.33 H new ATOM 0 HG21 VAL A 54 27.945 -18.583 -22.517 1.00 45.24 H new ATOM 0 HG22 VAL A 54 26.703 -19.802 -22.142 1.00 45.24 H new ATOM 0 HG23 VAL A 54 27.217 -19.544 -23.826 1.00 45.24 H new ATOM 461 N GLY A 55 25.430 -20.646 -24.595 1.00 51.04 N ATOM 462 CA GLY A 55 25.746 -21.501 -25.720 1.00 3.53 C ATOM 463 C GLY A 55 24.644 -21.508 -26.751 1.00 43.03 C ATOM 464 O GLY A 55 24.901 -21.671 -27.938 1.00 55.23 O ATOM 0 H GLY A 55 25.628 -21.050 -23.680 1.00 51.04 H new ATOM 0 HA2 GLY A 55 26.673 -21.164 -26.183 1.00 3.53 H new ATOM 0 HA3 GLY A 55 25.918 -22.517 -25.366 1.00 3.53 H new ATOM 468 N ILE A 56 23.414 -21.308 -26.293 1.00 11.31 N ATOM 469 CA ILE A 56 22.268 -21.271 -27.201 1.00 74.22 C ATOM 470 C ILE A 56 22.143 -19.886 -27.817 1.00 14.14 C ATOM 471 O ILE A 56 21.892 -19.742 -29.013 1.00 51.10 O ATOM 472 CB ILE A 56 20.944 -21.625 -26.493 1.00 74.24 C ATOM 473 CG1 ILE A 56 21.177 -22.666 -25.403 1.00 0.32 C ATOM 474 CG2 ILE A 56 19.921 -22.124 -27.502 1.00 31.43 C ATOM 475 CD1 ILE A 56 21.275 -22.062 -24.024 1.00 62.22 C ATOM 0 H ILE A 56 23.183 -21.170 -25.309 1.00 11.31 H new ATOM 0 HA ILE A 56 22.447 -22.020 -27.972 1.00 74.22 H new ATOM 0 HB ILE A 56 20.553 -20.723 -26.022 1.00 74.24 H new ATOM 0 HG12 ILE A 56 20.363 -23.390 -25.420 1.00 0.32 H new ATOM 0 HG13 ILE A 56 22.094 -23.213 -25.620 1.00 0.32 H new ATOM 0 HG21 ILE A 56 18.992 -22.370 -26.987 1.00 31.43 H new ATOM 0 HG22 ILE A 56 19.731 -21.347 -28.242 1.00 31.43 H new ATOM 0 HG23 ILE A 56 20.306 -23.014 -28.001 1.00 31.43 H new ATOM 0 HD11 ILE A 56 21.441 -22.852 -23.292 1.00 62.22 H new ATOM 0 HD12 ILE A 56 22.107 -21.358 -23.993 1.00 62.22 H new ATOM 0 HD13 ILE A 56 20.348 -21.539 -23.789 1.00 62.22 H new ATOM 487 N LYS A 57 22.348 -18.868 -26.992 1.00 13.51 N ATOM 488 CA LYS A 57 22.293 -17.493 -27.459 1.00 64.13 C ATOM 489 C LYS A 57 23.565 -17.172 -28.234 1.00 45.25 C ATOM 490 O LYS A 57 23.592 -16.260 -29.061 1.00 32.31 O ATOM 491 CB LYS A 57 22.128 -16.530 -26.281 1.00 32.04 C ATOM 492 CG LYS A 57 20.710 -16.007 -26.119 1.00 42.11 C ATOM 493 CD LYS A 57 20.690 -14.499 -25.919 1.00 35.35 C ATOM 494 CE LYS A 57 20.786 -14.131 -24.448 1.00 32.41 C ATOM 495 NZ LYS A 57 20.264 -12.763 -24.181 1.00 62.21 N ATOM 0 H LYS A 57 22.553 -18.970 -25.998 1.00 13.51 H new ATOM 0 HA LYS A 57 21.431 -17.373 -28.115 1.00 64.13 H new ATOM 0 HB2 LYS A 57 22.427 -17.037 -25.363 1.00 32.04 H new ATOM 0 HB3 LYS A 57 22.805 -15.686 -26.414 1.00 32.04 H new ATOM 0 HG2 LYS A 57 20.123 -16.266 -27.000 1.00 42.11 H new ATOM 0 HG3 LYS A 57 20.237 -16.494 -25.266 1.00 42.11 H new ATOM 0 HD2 LYS A 57 21.520 -14.048 -26.463 1.00 35.35 H new ATOM 0 HD3 LYS A 57 19.772 -14.087 -26.339 1.00 35.35 H new ATOM 0 HE2 LYS A 57 20.226 -14.855 -23.856 1.00 32.41 H new ATOM 0 HE3 LYS A 57 21.826 -14.192 -24.126 1.00 32.41 H new ATOM 0 HZ1 LYS A 57 20.348 -12.551 -23.166 1.00 62.21 H new ATOM 0 HZ2 LYS A 57 20.814 -12.069 -24.726 1.00 62.21 H new ATOM 0 HZ3 LYS A 57 19.265 -12.711 -24.464 1.00 62.21 H new ATOM 509 N ALA A 58 24.619 -17.943 -27.964 1.00 33.13 N ATOM 510 CA ALA A 58 25.894 -17.761 -28.636 1.00 32.43 C ATOM 511 C ALA A 58 25.903 -18.503 -29.969 1.00 42.12 C ATOM 512 O ALA A 58 26.600 -18.114 -30.906 1.00 53.40 O ATOM 513 CB ALA A 58 27.030 -18.237 -27.740 1.00 53.22 C ATOM 0 H ALA A 58 24.609 -18.701 -27.281 1.00 33.13 H new ATOM 0 HA ALA A 58 26.039 -16.700 -28.839 1.00 32.43 H new ATOM 0 HB1 ALA A 58 27.981 -18.096 -28.253 1.00 53.22 H new ATOM 0 HB2 ALA A 58 27.028 -17.662 -26.814 1.00 53.22 H new ATOM 0 HB3 ALA A 58 26.894 -19.294 -27.511 1.00 53.22 H new ATOM 519 N ILE A 59 25.106 -19.568 -30.048 1.00 33.31 N ATOM 520 CA ILE A 59 25.002 -20.360 -31.269 1.00 43.25 C ATOM 521 C ILE A 59 23.857 -19.856 -32.129 1.00 52.42 C ATOM 522 O ILE A 59 24.001 -19.683 -33.340 1.00 3.15 O ATOM 523 CB ILE A 59 24.791 -21.854 -30.962 1.00 64.20 C ATOM 524 CG1 ILE A 59 23.518 -22.077 -30.147 1.00 34.14 C ATOM 525 CG2 ILE A 59 25.998 -22.396 -30.228 1.00 20.11 C ATOM 526 CD1 ILE A 59 22.289 -22.321 -30.996 1.00 15.42 C ATOM 0 H ILE A 59 24.523 -19.901 -29.280 1.00 33.31 H new ATOM 0 HA ILE A 59 25.943 -20.250 -31.808 1.00 43.25 H new ATOM 0 HB ILE A 59 24.674 -22.390 -31.904 1.00 64.20 H new ATOM 0 HG12 ILE A 59 23.666 -22.929 -29.484 1.00 34.14 H new ATOM 0 HG13 ILE A 59 23.345 -21.207 -29.514 1.00 34.14 H new ATOM 0 HG21 ILE A 59 25.847 -23.454 -30.011 1.00 20.11 H new ATOM 0 HG22 ILE A 59 26.886 -22.276 -30.849 1.00 20.11 H new ATOM 0 HG23 ILE A 59 26.132 -21.850 -29.294 1.00 20.11 H new ATOM 0 HD11 ILE A 59 21.424 -22.471 -30.350 1.00 15.42 H new ATOM 0 HD12 ILE A 59 22.115 -21.459 -31.641 1.00 15.42 H new ATOM 0 HD13 ILE A 59 22.441 -23.209 -31.610 1.00 15.42 H new ATOM 538 N GLY A 60 22.727 -19.593 -31.489 1.00 34.43 N ATOM 539 CA GLY A 60 21.579 -19.079 -32.198 1.00 44.52 C ATOM 540 C GLY A 60 21.628 -17.569 -32.298 1.00 40.00 C ATOM 541 O GLY A 60 20.759 -16.948 -32.910 1.00 31.02 O ATOM 0 H GLY A 60 22.587 -19.728 -30.488 1.00 34.43 H new ATOM 0 HA2 GLY A 60 21.542 -19.511 -33.198 1.00 44.52 H new ATOM 0 HA3 GLY A 60 20.666 -19.383 -31.686 1.00 44.52 H new ATOM 545 N LYS A 61 22.656 -16.978 -31.689 1.00 23.14 N ATOM 546 CA LYS A 61 22.825 -15.529 -31.708 1.00 34.22 C ATOM 547 C LYS A 61 21.627 -14.833 -31.069 1.00 64.10 C ATOM 548 O LYS A 61 20.636 -14.585 -31.787 1.00 22.13 O ATOM 549 CB LYS A 61 23.012 -15.034 -33.144 1.00 70.41 C ATOM 550 CG LYS A 61 23.705 -13.684 -33.237 1.00 14.45 C ATOM 551 CD LYS A 61 25.151 -13.829 -33.682 1.00 44.44 C ATOM 552 CE LYS A 61 25.270 -13.856 -35.197 1.00 61.25 C ATOM 553 NZ LYS A 61 25.437 -15.241 -35.717 1.00 31.13 N ATOM 554 OXT LYS A 61 21.690 -14.540 -29.856 1.00 36.42 O ATOM 0 H LYS A 61 23.382 -17.481 -31.178 1.00 23.14 H new ATOM 0 HA LYS A 61 23.716 -15.285 -31.129 1.00 34.22 H new ATOM 0 HB2 LYS A 61 23.592 -15.770 -33.700 1.00 70.41 H new ATOM 0 HB3 LYS A 61 22.037 -14.966 -33.626 1.00 70.41 H new ATOM 0 HG2 LYS A 61 23.169 -13.047 -33.940 1.00 14.45 H new ATOM 0 HG3 LYS A 61 23.670 -13.188 -32.267 1.00 14.45 H new ATOM 0 HD2 LYS A 61 25.739 -13.002 -33.285 1.00 44.44 H new ATOM 0 HD3 LYS A 61 25.570 -14.746 -33.267 1.00 44.44 H new ATOM 0 HE2 LYS A 61 24.380 -13.407 -35.639 1.00 61.25 H new ATOM 0 HE3 LYS A 61 26.120 -13.248 -35.505 1.00 61.25 H new ATOM 0 HZ1 LYS A 61 26.368 -15.331 -36.172 1.00 31.13 H new ATOM 0 HZ2 LYS A 61 25.370 -15.918 -34.930 1.00 31.13 H new ATOM 0 HZ3 LYS A 61 24.691 -15.443 -36.412 1.00 31.13 H new