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 Set 1.1: A 57 LYS NZ :NH3+ -150:sc= 0 (180deg=0) USER MOD Set 1.2: A 61 LYS NZ :NH3+ -176:sc= -0.0566 (180deg=-0.0995) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0298) 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 ----------------------------------------------------------------- ATOM 1 N GLY A 26 2.235 -0.334 0.796 1.00 13.00 N ATOM 2 CA GLY A 26 2.282 -0.351 -0.692 1.00 45.03 C ATOM 3 C GLY A 26 2.819 -1.659 -1.241 1.00 64.43 C ATOM 4 O GLY A 26 3.803 -2.195 -0.732 1.00 40.43 O ATOM 0 HA2 GLY A 26 1.280 -0.179 -1.086 1.00 45.03 H new ATOM 0 HA3 GLY A 26 2.907 0.470 -1.042 1.00 45.03 H new ATOM 10 N GLY A 27 2.170 -2.173 -2.281 1.00 34.25 N ATOM 11 CA GLY A 27 2.603 -3.421 -2.881 1.00 62.34 C ATOM 12 C GLY A 27 3.833 -3.252 -3.753 1.00 34.31 C ATOM 13 O GLY A 27 4.591 -4.199 -3.958 1.00 73.02 O ATOM 0 H GLY A 27 1.353 -1.748 -2.718 1.00 34.25 H new ATOM 0 HA2 GLY A 27 2.817 -4.144 -2.094 1.00 62.34 H new ATOM 0 HA3 GLY A 27 1.791 -3.833 -3.480 1.00 62.34 H new ATOM 17 N LEU A 28 4.030 -2.041 -4.270 1.00 15.43 N ATOM 18 CA LEU A 28 5.177 -1.747 -5.129 1.00 62.22 C ATOM 19 C LEU A 28 6.465 -2.272 -4.517 1.00 24.14 C ATOM 20 O LEU A 28 7.127 -3.146 -5.077 1.00 41.45 O ATOM 21 CB LEU A 28 5.300 -0.237 -5.339 1.00 0.32 C ATOM 22 CG LEU A 28 4.878 0.628 -4.146 1.00 10.01 C ATOM 23 CD1 LEU A 28 5.831 1.799 -3.969 1.00 52.03 C ATOM 24 CD2 LEU A 28 3.450 1.119 -4.325 1.00 32.42 C ATOM 0 H LEU A 28 3.411 -1.247 -4.109 1.00 15.43 H new ATOM 0 HA LEU A 28 5.015 -2.242 -6.087 1.00 62.22 H new ATOM 0 HB2 LEU A 28 6.336 -0.005 -5.586 1.00 0.32 H new ATOM 0 HB3 LEU A 28 4.696 0.043 -6.202 1.00 0.32 H new ATOM 0 HG LEU A 28 4.921 0.017 -3.245 1.00 10.01 H new ATOM 0 HD11 LEU A 28 5.514 2.401 -3.117 1.00 52.03 H new ATOM 0 HD12 LEU A 28 6.839 1.424 -3.793 1.00 52.03 H new ATOM 0 HD13 LEU A 28 5.824 2.413 -4.869 1.00 52.03 H new ATOM 0 HD21 LEU A 28 3.166 1.732 -3.469 1.00 32.42 H new ATOM 0 HD22 LEU A 28 3.381 1.714 -5.236 1.00 32.42 H new ATOM 0 HD23 LEU A 28 2.778 0.264 -4.398 1.00 32.42 H new ATOM 36 N LYS A 29 6.797 -1.742 -3.352 1.00 2.33 N ATOM 37 CA LYS A 29 7.992 -2.162 -2.637 1.00 4.43 C ATOM 38 C LYS A 29 7.870 -3.628 -2.241 1.00 40.00 C ATOM 39 O LYS A 29 8.871 -4.315 -2.039 1.00 3.23 O ATOM 40 CB LYS A 29 8.203 -1.295 -1.394 1.00 22.01 C ATOM 41 CG LYS A 29 7.088 -1.419 -0.368 1.00 64.42 C ATOM 42 CD LYS A 29 7.174 -0.325 0.682 1.00 42.05 C ATOM 43 CE LYS A 29 5.810 -0.011 1.273 1.00 22.54 C ATOM 44 NZ LYS A 29 5.785 1.319 1.942 1.00 62.44 N ATOM 0 H LYS A 29 6.255 -1.018 -2.880 1.00 2.33 H new ATOM 0 HA LYS A 29 8.854 -2.041 -3.293 1.00 4.43 H new ATOM 0 HB2 LYS A 29 9.148 -1.570 -0.926 1.00 22.01 H new ATOM 0 HB3 LYS A 29 8.290 -0.252 -1.699 1.00 22.01 H new ATOM 0 HG2 LYS A 29 6.122 -1.367 -0.871 1.00 64.42 H new ATOM 0 HG3 LYS A 29 7.144 -2.394 0.116 1.00 64.42 H new ATOM 0 HD2 LYS A 29 7.853 -0.634 1.476 1.00 42.05 H new ATOM 0 HD3 LYS A 29 7.595 0.576 0.236 1.00 42.05 H new ATOM 0 HE2 LYS A 29 5.059 -0.034 0.484 1.00 22.54 H new ATOM 0 HE3 LYS A 29 5.540 -0.784 1.993 1.00 22.54 H new ATOM 0 HZ1 LYS A 29 4.837 1.494 2.331 1.00 62.44 H new ATOM 0 HZ2 LYS A 29 6.484 1.333 2.712 1.00 62.44 H new ATOM 0 HZ3 LYS A 29 6.017 2.060 1.250 1.00 62.44 H new ATOM 58 N LYS A 30 6.630 -4.100 -2.139 1.00 64.35 N ATOM 59 CA LYS A 30 6.366 -5.486 -1.776 1.00 24.30 C ATOM 60 C LYS A 30 6.815 -6.428 -2.888 1.00 25.52 C ATOM 61 O LYS A 30 7.377 -7.492 -2.627 1.00 72.44 O ATOM 62 CB LYS A 30 4.877 -5.688 -1.492 1.00 33.52 C ATOM 63 CG LYS A 30 4.598 -6.694 -0.387 1.00 30.43 C ATOM 64 CD LYS A 30 3.950 -7.959 -0.931 1.00 32.31 C ATOM 65 CE LYS A 30 2.464 -8.008 -0.612 1.00 43.14 C ATOM 66 NZ LYS A 30 1.733 -6.847 -1.192 1.00 13.02 N ATOM 0 H LYS A 30 5.793 -3.541 -2.303 1.00 64.35 H new ATOM 0 HA LYS A 30 6.933 -5.715 -0.874 1.00 24.30 H new ATOM 0 HB2 LYS A 30 4.435 -4.730 -1.219 1.00 33.52 H new ATOM 0 HB3 LYS A 30 4.383 -6.019 -2.406 1.00 33.52 H new ATOM 0 HG2 LYS A 30 5.530 -6.950 0.117 1.00 30.43 H new ATOM 0 HG3 LYS A 30 3.945 -6.243 0.360 1.00 30.43 H new ATOM 0 HD2 LYS A 30 4.093 -8.006 -2.011 1.00 32.31 H new ATOM 0 HD3 LYS A 30 4.443 -8.833 -0.506 1.00 32.31 H new ATOM 0 HE2 LYS A 30 2.040 -8.934 -0.999 1.00 43.14 H new ATOM 0 HE3 LYS A 30 2.325 -8.021 0.469 1.00 43.14 H new ATOM 0 HZ1 LYS A 30 0.709 -6.985 -1.070 1.00 13.02 H new ATOM 0 HZ2 LYS A 30 2.025 -5.975 -0.706 1.00 13.02 H new ATOM 0 HZ3 LYS A 30 1.954 -6.769 -2.205 1.00 13.02 H new ATOM 80 N LEU A 31 6.564 -6.028 -4.132 1.00 14.40 N ATOM 81 CA LEU A 31 6.942 -6.834 -5.285 1.00 43.42 C ATOM 82 C LEU A 31 8.410 -6.621 -5.640 1.00 74.54 C ATOM 83 O LEU A 31 9.099 -7.550 -6.063 1.00 33.35 O ATOM 84 CB LEU A 31 6.059 -6.487 -6.486 1.00 71.44 C ATOM 85 CG LEU A 31 6.415 -7.216 -7.784 1.00 70.13 C ATOM 86 CD1 LEU A 31 6.309 -8.721 -7.599 1.00 32.03 C ATOM 87 CD2 LEU A 31 5.513 -6.751 -8.917 1.00 34.50 C ATOM 0 H LEU A 31 6.100 -5.150 -4.365 1.00 14.40 H new ATOM 0 HA LEU A 31 6.798 -7.883 -5.027 1.00 43.42 H new ATOM 0 HB2 LEU A 31 5.023 -6.712 -6.233 1.00 71.44 H new ATOM 0 HB3 LEU A 31 6.118 -5.413 -6.663 1.00 71.44 H new ATOM 0 HG LEU A 31 7.446 -6.976 -8.043 1.00 70.13 H new ATOM 0 HD11 LEU A 31 6.566 -9.221 -8.533 1.00 32.03 H new ATOM 0 HD12 LEU A 31 6.996 -9.041 -6.815 1.00 32.03 H new ATOM 0 HD13 LEU A 31 5.289 -8.982 -7.316 1.00 32.03 H new ATOM 0 HD21 LEU A 31 5.778 -7.278 -9.833 1.00 34.50 H new ATOM 0 HD22 LEU A 31 4.474 -6.962 -8.665 1.00 34.50 H new ATOM 0 HD23 LEU A 31 5.639 -5.679 -9.066 1.00 34.50 H new ATOM 99 N GLY A 32 8.882 -5.390 -5.466 1.00 1.21 N ATOM 100 CA GLY A 32 10.264 -5.074 -5.774 1.00 72.10 C ATOM 101 C GLY A 32 11.246 -5.760 -4.842 1.00 72.32 C ATOM 102 O GLY A 32 12.416 -5.931 -5.183 1.00 64.14 O ATOM 0 H GLY A 32 8.331 -4.606 -5.117 1.00 1.21 H new ATOM 0 HA2 GLY A 32 10.479 -5.368 -6.801 1.00 72.10 H new ATOM 0 HA3 GLY A 32 10.407 -3.995 -5.715 1.00 72.10 H new ATOM 106 N LYS A 33 10.772 -6.151 -3.662 1.00 65.42 N ATOM 107 CA LYS A 33 11.623 -6.819 -2.682 1.00 73.20 C ATOM 108 C LYS A 33 11.417 -8.331 -2.718 1.00 64.20 C ATOM 109 O LYS A 33 12.332 -9.098 -2.421 1.00 65.33 O ATOM 110 CB LYS A 33 11.334 -6.283 -1.277 1.00 10.44 C ATOM 111 CG LYS A 33 12.361 -5.276 -0.788 1.00 12.12 C ATOM 112 CD LYS A 33 12.013 -3.863 -1.228 1.00 74.44 C ATOM 113 CE LYS A 33 13.028 -3.318 -2.221 1.00 54.52 C ATOM 114 NZ LYS A 33 12.619 -1.995 -2.764 1.00 61.51 N ATOM 0 H LYS A 33 9.806 -6.017 -3.362 1.00 65.42 H new ATOM 0 HA LYS A 33 12.662 -6.609 -2.937 1.00 73.20 H new ATOM 0 HB2 LYS A 33 10.349 -5.817 -1.270 1.00 10.44 H new ATOM 0 HB3 LYS A 33 11.296 -7.119 -0.579 1.00 10.44 H new ATOM 0 HG2 LYS A 33 12.420 -5.315 0.300 1.00 12.12 H new ATOM 0 HG3 LYS A 33 13.346 -5.545 -1.171 1.00 12.12 H new ATOM 0 HD2 LYS A 33 11.021 -3.856 -1.680 1.00 74.44 H new ATOM 0 HD3 LYS A 33 11.970 -3.210 -0.356 1.00 74.44 H new ATOM 0 HE2 LYS A 33 13.999 -3.226 -1.734 1.00 54.52 H new ATOM 0 HE3 LYS A 33 13.149 -4.025 -3.041 1.00 54.52 H new ATOM 0 HZ1 LYS A 33 13.337 -1.659 -3.437 1.00 61.51 H new ATOM 0 HZ2 LYS A 33 11.705 -2.087 -3.251 1.00 61.51 H new ATOM 0 HZ3 LYS A 33 12.528 -1.313 -1.984 1.00 61.51 H new ATOM 128 N LYS A 34 10.210 -8.753 -3.083 1.00 44.13 N ATOM 129 CA LYS A 34 9.888 -10.174 -3.157 1.00 5.02 C ATOM 130 C LYS A 34 10.604 -10.831 -4.330 1.00 22.00 C ATOM 131 O LYS A 34 11.454 -11.701 -4.145 1.00 4.21 O ATOM 132 CB LYS A 34 8.376 -10.361 -3.303 1.00 52.32 C ATOM 133 CG LYS A 34 7.897 -11.767 -2.981 1.00 75.21 C ATOM 134 CD LYS A 34 8.118 -12.723 -4.144 1.00 73.42 C ATOM 135 CE LYS A 34 7.414 -12.247 -5.404 1.00 73.33 C ATOM 136 NZ LYS A 34 7.104 -13.373 -6.327 1.00 32.41 N ATOM 0 H LYS A 34 9.440 -8.132 -3.332 1.00 44.13 H new ATOM 0 HA LYS A 34 10.224 -10.650 -2.236 1.00 5.02 H new ATOM 0 HB2 LYS A 34 7.867 -9.655 -2.647 1.00 52.32 H new ATOM 0 HB3 LYS A 34 8.086 -10.113 -4.324 1.00 52.32 H new ATOM 0 HG2 LYS A 34 8.424 -12.137 -2.102 1.00 75.21 H new ATOM 0 HG3 LYS A 34 6.837 -11.740 -2.730 1.00 75.21 H new ATOM 0 HD2 LYS A 34 9.186 -12.819 -4.338 1.00 73.42 H new ATOM 0 HD3 LYS A 34 7.752 -13.714 -3.875 1.00 73.42 H new ATOM 0 HE2 LYS A 34 6.490 -11.736 -5.132 1.00 73.33 H new ATOM 0 HE3 LYS A 34 8.042 -11.519 -5.918 1.00 73.33 H new ATOM 0 HZ1 LYS A 34 6.624 -13.006 -7.174 1.00 32.41 H new ATOM 0 HZ2 LYS A 34 7.987 -13.846 -6.607 1.00 32.41 H new ATOM 0 HZ3 LYS A 34 6.484 -14.055 -5.846 1.00 32.41 H new ATOM 150 N LEU A 35 10.253 -10.403 -5.536 1.00 12.15 N ATOM 151 CA LEU A 35 10.857 -10.944 -6.750 1.00 4.11 C ATOM 152 C LEU A 35 12.379 -10.853 -6.693 1.00 1.23 C ATOM 153 O LEU A 35 13.082 -11.779 -7.097 1.00 60.44 O ATOM 154 CB LEU A 35 10.342 -10.190 -7.980 1.00 12.41 C ATOM 155 CG LEU A 35 10.356 -10.979 -9.294 1.00 52.12 C ATOM 156 CD1 LEU A 35 10.253 -10.032 -10.479 1.00 51.21 C ATOM 157 CD2 LEU A 35 11.612 -11.831 -9.405 1.00 64.53 C ATOM 0 H LEU A 35 9.552 -9.681 -5.701 1.00 12.15 H new ATOM 0 HA LEU A 35 10.575 -11.994 -6.825 1.00 4.11 H new ATOM 0 HB2 LEU A 35 9.320 -9.865 -7.783 1.00 12.41 H new ATOM 0 HB3 LEU A 35 10.943 -9.290 -8.111 1.00 12.41 H new ATOM 0 HG LEU A 35 9.493 -11.645 -9.300 1.00 52.12 H new ATOM 0 HD11 LEU A 35 10.264 -10.606 -11.406 1.00 51.21 H new ATOM 0 HD12 LEU A 35 9.323 -9.467 -10.413 1.00 51.21 H new ATOM 0 HD13 LEU A 35 11.098 -9.343 -10.469 1.00 51.21 H new ATOM 0 HD21 LEU A 35 11.597 -12.380 -10.346 1.00 64.53 H new ATOM 0 HD22 LEU A 35 12.492 -11.188 -9.374 1.00 64.53 H new ATOM 0 HD23 LEU A 35 11.648 -12.536 -8.574 1.00 64.53 H new ATOM 169 N GLU A 36 12.880 -9.729 -6.191 1.00 72.22 N ATOM 170 CA GLU A 36 14.318 -9.514 -6.083 1.00 23.22 C ATOM 171 C GLU A 36 14.975 -10.614 -5.255 1.00 70.25 C ATOM 172 O GLU A 36 16.025 -11.139 -5.622 1.00 75.25 O ATOM 173 CB GLU A 36 14.605 -8.145 -5.462 1.00 1.22 C ATOM 174 CG GLU A 36 15.151 -7.130 -6.454 1.00 54.05 C ATOM 175 CD GLU A 36 16.618 -6.822 -6.227 1.00 61.54 C ATOM 176 OE1 GLU A 36 16.941 -6.204 -5.190 1.00 34.13 O ATOM 177 OE2 GLU A 36 17.443 -7.199 -7.085 1.00 32.11 O ATOM 0 H GLU A 36 12.311 -8.953 -5.853 1.00 72.22 H new ATOM 0 HA GLU A 36 14.741 -9.544 -7.087 1.00 23.22 H new ATOM 0 HB2 GLU A 36 13.687 -7.754 -5.023 1.00 1.22 H new ATOM 0 HB3 GLU A 36 15.320 -8.267 -4.649 1.00 1.22 H new ATOM 0 HG2 GLU A 36 15.016 -7.509 -7.467 1.00 54.05 H new ATOM 0 HG3 GLU A 36 14.574 -6.208 -6.379 1.00 54.05 H new ATOM 184 N GLY A 37 14.349 -10.958 -4.133 1.00 70.53 N ATOM 185 CA GLY A 37 14.886 -11.994 -3.270 1.00 1.53 C ATOM 186 C GLY A 37 15.115 -13.299 -4.006 1.00 73.20 C ATOM 187 O GLY A 37 16.175 -13.913 -3.884 1.00 12.30 O ATOM 0 H GLY A 37 13.479 -10.537 -3.806 1.00 70.53 H new ATOM 0 HA2 GLY A 37 15.828 -11.653 -2.840 1.00 1.53 H new ATOM 0 HA3 GLY A 37 14.200 -12.164 -2.440 1.00 1.53 H new ATOM 191 N ALA A 38 14.119 -13.720 -4.778 1.00 13.13 N ATOM 192 CA ALA A 38 14.218 -14.955 -5.544 1.00 14.12 C ATOM 193 C ALA A 38 15.199 -14.796 -6.698 1.00 54.00 C ATOM 194 O ALA A 38 16.064 -15.644 -6.916 1.00 62.40 O ATOM 195 CB ALA A 38 12.848 -15.367 -6.063 1.00 73.10 C ATOM 0 H ALA A 38 13.235 -13.224 -4.889 1.00 13.13 H new ATOM 0 HA ALA A 38 14.591 -15.739 -4.885 1.00 14.12 H new ATOM 0 HB1 ALA A 38 12.938 -16.291 -6.633 1.00 73.10 H new ATOM 0 HB2 ALA A 38 12.172 -15.524 -5.222 1.00 73.10 H new ATOM 0 HB3 ALA A 38 12.451 -14.581 -6.706 1.00 73.10 H new ATOM 201 N GLY A 39 15.060 -13.696 -7.432 1.00 30.35 N ATOM 202 CA GLY A 39 15.937 -13.429 -8.555 1.00 63.13 C ATOM 203 C GLY A 39 17.401 -13.520 -8.178 1.00 21.31 C ATOM 204 O GLY A 39 18.241 -13.850 -9.014 1.00 10.32 O ATOM 0 H GLY A 39 14.351 -12.982 -7.267 1.00 30.35 H new ATOM 0 HA2 GLY A 39 15.726 -14.139 -9.355 1.00 63.13 H new ATOM 0 HA3 GLY A 39 15.727 -12.434 -8.948 1.00 63.13 H new ATOM 208 N LYS A 40 17.709 -13.237 -6.915 1.00 33.21 N ATOM 209 CA LYS A 40 19.085 -13.303 -6.444 1.00 22.22 C ATOM 210 C LYS A 40 19.589 -14.739 -6.508 1.00 11.31 C ATOM 211 O LYS A 40 20.556 -15.043 -7.205 1.00 42.42 O ATOM 212 CB LYS A 40 19.196 -12.774 -5.014 1.00 62.13 C ATOM 213 CG LYS A 40 18.968 -11.274 -4.899 1.00 14.43 C ATOM 214 CD LYS A 40 20.235 -10.547 -4.474 1.00 75.11 C ATOM 215 CE LYS A 40 19.981 -9.066 -4.247 1.00 40.23 C ATOM 216 NZ LYS A 40 20.584 -8.228 -5.321 1.00 75.43 N ATOM 0 H LYS A 40 17.029 -12.962 -6.206 1.00 33.21 H new ATOM 0 HA LYS A 40 19.700 -12.677 -7.091 1.00 22.22 H new ATOM 0 HB2 LYS A 40 18.471 -13.292 -4.387 1.00 62.13 H new ATOM 0 HB3 LYS A 40 20.185 -13.014 -4.623 1.00 62.13 H new ATOM 0 HG2 LYS A 40 18.627 -10.882 -5.857 1.00 14.43 H new ATOM 0 HG3 LYS A 40 18.176 -11.080 -4.176 1.00 14.43 H new ATOM 0 HD2 LYS A 40 20.622 -10.995 -3.559 1.00 75.11 H new ATOM 0 HD3 LYS A 40 21.001 -10.672 -5.239 1.00 75.11 H new ATOM 0 HE2 LYS A 40 18.907 -8.884 -4.205 1.00 40.23 H new ATOM 0 HE3 LYS A 40 20.393 -8.771 -3.282 1.00 40.23 H new ATOM 0 HZ1 LYS A 40 20.388 -7.225 -5.129 1.00 75.43 H new ATOM 0 HZ2 LYS A 40 21.612 -8.382 -5.345 1.00 75.43 H new ATOM 0 HZ3 LYS A 40 20.173 -8.492 -6.239 1.00 75.43 H new ATOM 230 N ARG A 41 18.913 -15.627 -5.791 1.00 31.35 N ATOM 231 CA ARG A 41 19.281 -17.037 -5.783 1.00 31.51 C ATOM 232 C ARG A 41 19.249 -17.600 -7.203 1.00 74.42 C ATOM 233 O ARG A 41 19.893 -18.605 -7.501 1.00 1.41 O ATOM 234 CB ARG A 41 18.326 -17.825 -4.876 1.00 62.32 C ATOM 235 CG ARG A 41 18.250 -19.314 -5.192 1.00 31.00 C ATOM 236 CD ARG A 41 17.277 -19.597 -6.328 1.00 34.32 C ATOM 237 NE ARG A 41 16.560 -20.854 -6.134 1.00 42.53 N ATOM 238 CZ ARG A 41 17.086 -22.052 -6.375 1.00 33.43 C ATOM 239 NH1 ARG A 41 18.329 -22.161 -6.827 1.00 54.44 N ATOM 240 NH2 ARG A 41 16.366 -23.146 -6.166 1.00 74.24 N ATOM 0 H ARG A 41 18.108 -15.397 -5.208 1.00 31.35 H new ATOM 0 HA ARG A 41 20.295 -17.134 -5.394 1.00 31.51 H new ATOM 0 HB2 ARG A 41 18.641 -17.701 -3.840 1.00 62.32 H new ATOM 0 HB3 ARG A 41 17.327 -17.396 -4.959 1.00 62.32 H new ATOM 0 HG2 ARG A 41 19.241 -19.680 -5.461 1.00 31.00 H new ATOM 0 HG3 ARG A 41 17.939 -19.860 -4.301 1.00 31.00 H new ATOM 0 HD2 ARG A 41 16.561 -18.779 -6.404 1.00 34.32 H new ATOM 0 HD3 ARG A 41 17.822 -19.632 -7.272 1.00 34.32 H new ATOM 0 HE ARG A 41 15.599 -20.811 -5.794 1.00 42.53 H new ATOM 0 HH11 ARG A 41 18.887 -21.323 -6.992 1.00 54.44 H new ATOM 0 HH12 ARG A 41 18.726 -23.083 -7.010 1.00 54.44 H new ATOM 0 HH21 ARG A 41 15.409 -23.069 -5.821 1.00 74.24 H new ATOM 0 HH22 ARG A 41 16.769 -24.065 -6.351 1.00 74.24 H new ATOM 254 N VAL A 42 18.478 -16.949 -8.068 1.00 30.11 N ATOM 255 CA VAL A 42 18.336 -17.382 -9.450 1.00 33.21 C ATOM 256 C VAL A 42 19.441 -16.823 -10.332 1.00 24.34 C ATOM 257 O VAL A 42 19.963 -17.524 -11.200 1.00 23.40 O ATOM 258 CB VAL A 42 16.976 -16.957 -10.019 1.00 72.13 C ATOM 259 CG1 VAL A 42 16.742 -17.587 -11.382 1.00 62.42 C ATOM 260 CG2 VAL A 42 15.866 -17.327 -9.053 1.00 13.32 C ATOM 0 H VAL A 42 17.940 -16.115 -7.833 1.00 30.11 H new ATOM 0 HA VAL A 42 18.408 -18.470 -9.449 1.00 33.21 H new ATOM 0 HB VAL A 42 16.975 -15.875 -10.147 1.00 72.13 H new ATOM 0 HG11 VAL A 42 15.772 -17.272 -11.767 1.00 62.42 H new ATOM 0 HG12 VAL A 42 17.526 -17.269 -12.069 1.00 62.42 H new ATOM 0 HG13 VAL A 42 16.760 -18.673 -11.289 1.00 62.42 H new ATOM 0 HG21 VAL A 42 14.906 -17.020 -9.468 1.00 13.32 H new ATOM 0 HG22 VAL A 42 15.865 -18.406 -8.895 1.00 13.32 H new ATOM 0 HG23 VAL A 42 16.028 -16.821 -8.101 1.00 13.32 H new ATOM 270 N PHE A 43 19.803 -15.562 -10.112 1.00 1.30 N ATOM 271 CA PHE A 43 20.857 -14.934 -10.900 1.00 4.31 C ATOM 272 C PHE A 43 22.083 -15.839 -10.935 1.00 71.13 C ATOM 273 O PHE A 43 22.739 -15.977 -11.966 1.00 30.31 O ATOM 274 CB PHE A 43 21.198 -13.541 -10.338 1.00 24.34 C ATOM 275 CG PHE A 43 22.399 -13.494 -9.427 1.00 33.41 C ATOM 276 CD1 PHE A 43 23.672 -13.726 -9.918 1.00 43.32 C ATOM 277 CD2 PHE A 43 22.247 -13.208 -8.082 1.00 71.20 C ATOM 278 CE1 PHE A 43 24.771 -13.676 -9.081 1.00 10.14 C ATOM 279 CE2 PHE A 43 23.340 -13.155 -7.240 1.00 60.13 C ATOM 280 CZ PHE A 43 24.606 -13.389 -7.741 1.00 14.43 C ATOM 0 H PHE A 43 19.386 -14.961 -9.401 1.00 1.30 H new ATOM 0 HA PHE A 43 20.506 -14.795 -11.923 1.00 4.31 H new ATOM 0 HB2 PHE A 43 21.368 -12.861 -11.173 1.00 24.34 H new ATOM 0 HB3 PHE A 43 20.333 -13.165 -9.792 1.00 24.34 H new ATOM 0 HD1 PHE A 43 23.808 -13.948 -10.966 1.00 43.32 H new ATOM 0 HD2 PHE A 43 21.260 -13.024 -7.685 1.00 71.20 H new ATOM 0 HE1 PHE A 43 25.759 -13.862 -9.476 1.00 10.14 H new ATOM 0 HE2 PHE A 43 23.206 -12.931 -6.192 1.00 60.13 H new ATOM 0 HZ PHE A 43 25.464 -13.348 -7.086 1.00 14.43 H new ATOM 290 N LYS A 44 22.366 -16.471 -9.801 1.00 12.51 N ATOM 291 CA LYS A 44 23.493 -17.385 -9.696 1.00 50.44 C ATOM 292 C LYS A 44 23.187 -18.678 -10.443 1.00 15.54 C ATOM 293 O LYS A 44 24.082 -19.316 -10.997 1.00 44.44 O ATOM 294 CB LYS A 44 23.803 -17.686 -8.228 1.00 25.03 C ATOM 295 CG LYS A 44 24.890 -16.799 -7.642 1.00 75.12 C ATOM 296 CD LYS A 44 25.529 -17.436 -6.418 1.00 21.44 C ATOM 297 CE LYS A 44 26.332 -16.423 -5.617 1.00 14.44 C ATOM 298 NZ LYS A 44 27.799 -16.608 -5.799 1.00 42.54 N ATOM 0 H LYS A 44 21.828 -16.365 -8.941 1.00 12.51 H new ATOM 0 HA LYS A 44 24.367 -16.914 -10.145 1.00 50.44 H new ATOM 0 HB2 LYS A 44 22.892 -17.567 -7.641 1.00 25.03 H new ATOM 0 HB3 LYS A 44 24.107 -18.729 -8.136 1.00 25.03 H new ATOM 0 HG2 LYS A 44 25.654 -16.611 -8.396 1.00 75.12 H new ATOM 0 HG3 LYS A 44 24.465 -15.832 -7.371 1.00 75.12 H new ATOM 0 HD2 LYS A 44 24.754 -17.869 -5.786 1.00 21.44 H new ATOM 0 HD3 LYS A 44 26.180 -18.253 -6.730 1.00 21.44 H new ATOM 0 HE2 LYS A 44 26.053 -15.415 -5.923 1.00 14.44 H new ATOM 0 HE3 LYS A 44 26.083 -16.516 -4.560 1.00 14.44 H new ATOM 0 HZ1 LYS A 44 28.311 -15.898 -5.237 1.00 42.54 H new ATOM 0 HZ2 LYS A 44 28.070 -17.561 -5.484 1.00 42.54 H new ATOM 0 HZ3 LYS A 44 28.041 -16.494 -6.804 1.00 42.54 H new ATOM 312 N ALA A 45 21.908 -19.053 -10.463 1.00 11.45 N ATOM 313 CA ALA A 45 21.479 -20.261 -11.152 1.00 33.40 C ATOM 314 C ALA A 45 21.809 -20.171 -12.637 1.00 11.42 C ATOM 315 O ALA A 45 22.271 -21.137 -13.243 1.00 14.32 O ATOM 316 CB ALA A 45 19.987 -20.481 -10.951 1.00 2.44 C ATOM 0 H ALA A 45 21.155 -18.536 -10.009 1.00 11.45 H new ATOM 0 HA ALA A 45 22.015 -21.111 -10.731 1.00 33.40 H new ATOM 0 HB1 ALA A 45 19.680 -21.388 -11.472 1.00 2.44 H new ATOM 0 HB2 ALA A 45 19.774 -20.584 -9.887 1.00 2.44 H new ATOM 0 HB3 ALA A 45 19.437 -19.629 -11.350 1.00 2.44 H new ATOM 322 N SER A 46 21.575 -18.995 -13.212 1.00 53.30 N ATOM 323 CA SER A 46 21.854 -18.765 -14.623 1.00 71.15 C ATOM 324 C SER A 46 23.312 -18.370 -14.824 1.00 74.43 C ATOM 325 O SER A 46 23.914 -18.682 -15.851 1.00 32.23 O ATOM 326 CB SER A 46 20.936 -17.672 -15.174 1.00 30.13 C ATOM 327 OG SER A 46 20.890 -17.711 -16.590 1.00 22.11 O ATOM 0 H SER A 46 21.193 -18.187 -12.721 1.00 53.30 H new ATOM 0 HA SER A 46 21.666 -19.692 -15.165 1.00 71.15 H new ATOM 0 HB2 SER A 46 19.931 -17.799 -14.771 1.00 30.13 H new ATOM 0 HB3 SER A 46 21.290 -16.695 -14.845 1.00 30.13 H new ATOM 0 HG SER A 46 20.296 -17.004 -16.918 1.00 22.11 H new ATOM 333 N GLU A 47 23.876 -17.685 -13.833 1.00 0.35 N ATOM 334 CA GLU A 47 25.267 -17.251 -13.900 1.00 65.31 C ATOM 335 C GLU A 47 26.199 -18.451 -14.016 1.00 3.22 C ATOM 336 O GLU A 47 27.213 -18.398 -14.713 1.00 14.42 O ATOM 337 CB GLU A 47 25.628 -16.426 -12.661 1.00 13.11 C ATOM 338 CG GLU A 47 26.926 -15.651 -12.802 1.00 4.22 C ATOM 339 CD GLU A 47 26.957 -14.784 -14.045 1.00 53.40 C ATOM 340 OE1 GLU A 47 26.516 -13.618 -13.968 1.00 35.35 O ATOM 341 OE2 GLU A 47 27.421 -15.272 -15.098 1.00 35.14 O ATOM 0 H GLU A 47 23.392 -17.419 -12.976 1.00 0.35 H new ATOM 0 HA GLU A 47 25.388 -16.629 -14.787 1.00 65.31 H new ATOM 0 HB2 GLU A 47 24.818 -15.727 -12.452 1.00 13.11 H new ATOM 0 HB3 GLU A 47 25.704 -17.092 -11.801 1.00 13.11 H new ATOM 0 HG2 GLU A 47 27.067 -15.023 -11.922 1.00 4.22 H new ATOM 0 HG3 GLU A 47 27.761 -16.351 -12.831 1.00 4.22 H new ATOM 348 N LYS A 48 25.845 -19.536 -13.334 1.00 74.23 N ATOM 349 CA LYS A 48 26.648 -20.754 -13.366 1.00 44.10 C ATOM 350 C LYS A 48 26.456 -21.493 -14.686 1.00 53.43 C ATOM 351 O LYS A 48 27.359 -22.183 -15.161 1.00 3.30 O ATOM 352 CB LYS A 48 26.282 -21.668 -12.195 1.00 53.13 C ATOM 353 CG LYS A 48 24.837 -22.141 -12.218 1.00 72.23 C ATOM 354 CD LYS A 48 24.710 -23.566 -11.704 1.00 14.53 C ATOM 355 CE LYS A 48 23.285 -24.081 -11.830 1.00 5.53 C ATOM 356 NZ LYS A 48 23.236 -25.434 -12.450 1.00 41.13 N ATOM 0 H LYS A 48 25.009 -19.597 -12.753 1.00 74.23 H new ATOM 0 HA LYS A 48 27.697 -20.471 -13.276 1.00 44.10 H new ATOM 0 HB2 LYS A 48 26.940 -22.537 -12.204 1.00 53.13 H new ATOM 0 HB3 LYS A 48 26.467 -21.138 -11.260 1.00 53.13 H new ATOM 0 HG2 LYS A 48 24.226 -21.477 -11.607 1.00 72.23 H new ATOM 0 HG3 LYS A 48 24.450 -22.084 -13.236 1.00 72.23 H new ATOM 0 HD2 LYS A 48 25.383 -24.216 -12.262 1.00 14.53 H new ATOM 0 HD3 LYS A 48 25.021 -23.606 -10.660 1.00 14.53 H new ATOM 0 HE2 LYS A 48 22.823 -24.117 -10.843 1.00 5.53 H new ATOM 0 HE3 LYS A 48 22.699 -23.385 -12.431 1.00 5.53 H new ATOM 0 HZ1 LYS A 48 22.247 -25.749 -12.518 1.00 41.13 H new ATOM 0 HZ2 LYS A 48 23.653 -25.395 -13.402 1.00 41.13 H new ATOM 0 HZ3 LYS A 48 23.773 -26.104 -11.864 1.00 41.13 H new ATOM 370 N ALA A 49 25.275 -21.342 -15.278 1.00 62.23 N ATOM 371 CA ALA A 49 24.967 -21.990 -16.545 1.00 64.43 C ATOM 372 C ALA A 49 25.007 -21.005 -17.701 1.00 20.40 C ATOM 373 O ALA A 49 24.565 -21.327 -18.798 1.00 1.11 O ATOM 374 CB ALA A 49 23.609 -22.660 -16.490 1.00 71.04 C ATOM 0 H ALA A 49 24.516 -20.776 -14.899 1.00 62.23 H new ATOM 0 HA ALA A 49 25.733 -22.747 -16.714 1.00 64.43 H new ATOM 0 HB1 ALA A 49 23.400 -23.138 -17.447 1.00 71.04 H new ATOM 0 HB2 ALA A 49 23.606 -23.412 -15.701 1.00 71.04 H new ATOM 0 HB3 ALA A 49 22.843 -21.913 -16.282 1.00 71.04 H new ATOM 380 N LEU A 50 25.547 -19.807 -17.472 1.00 42.24 N ATOM 381 CA LEU A 50 25.633 -18.823 -18.542 1.00 50.31 C ATOM 382 C LEU A 50 26.378 -19.410 -19.731 1.00 0.13 C ATOM 383 O LEU A 50 25.945 -19.292 -20.869 1.00 61.03 O ATOM 384 CB LEU A 50 26.292 -17.524 -18.069 1.00 21.22 C ATOM 385 CG LEU A 50 26.497 -16.456 -19.144 1.00 22.35 C ATOM 386 CD1 LEU A 50 26.191 -15.074 -18.588 1.00 64.24 C ATOM 387 CD2 LEU A 50 27.919 -16.511 -19.684 1.00 72.14 C ATOM 0 H LEU A 50 25.923 -19.503 -16.574 1.00 42.24 H new ATOM 0 HA LEU A 50 24.618 -18.571 -18.851 1.00 50.31 H new ATOM 0 HB2 LEU A 50 25.683 -17.099 -17.271 1.00 21.22 H new ATOM 0 HB3 LEU A 50 27.262 -17.767 -17.635 1.00 21.22 H new ATOM 0 HG LEU A 50 25.808 -16.656 -19.965 1.00 22.35 H new ATOM 0 HD11 LEU A 50 26.342 -14.327 -19.367 1.00 64.24 H new ATOM 0 HD12 LEU A 50 25.156 -15.040 -18.248 1.00 64.24 H new ATOM 0 HD13 LEU A 50 26.855 -14.864 -17.750 1.00 64.24 H new ATOM 0 HD21 LEU A 50 28.048 -15.744 -20.448 1.00 72.14 H new ATOM 0 HD22 LEU A 50 28.624 -16.335 -18.871 1.00 72.14 H new ATOM 0 HD23 LEU A 50 28.105 -17.493 -20.120 1.00 72.14 H new ATOM 399 N PRO A 51 27.475 -20.109 -19.459 1.00 44.40 N ATOM 400 CA PRO A 51 28.257 -20.785 -20.488 1.00 40.11 C ATOM 401 C PRO A 51 27.440 -21.915 -21.106 1.00 40.31 C ATOM 402 O PRO A 51 27.719 -22.381 -22.210 1.00 34.44 O ATOM 403 CB PRO A 51 29.470 -21.356 -19.734 1.00 75.11 C ATOM 404 CG PRO A 51 29.392 -20.822 -18.337 1.00 72.55 C ATOM 405 CD PRO A 51 27.980 -20.350 -18.117 1.00 63.24 C ATOM 0 HA PRO A 51 28.548 -20.119 -21.300 1.00 40.11 H new ATOM 0 HB2 PRO A 51 29.449 -22.446 -19.734 1.00 75.11 H new ATOM 0 HB3 PRO A 51 30.402 -21.055 -20.213 1.00 75.11 H new ATOM 0 HG2 PRO A 51 29.656 -21.595 -17.615 1.00 72.55 H new ATOM 0 HG3 PRO A 51 30.097 -20.002 -18.199 1.00 72.55 H new ATOM 0 HD2 PRO A 51 27.385 -21.100 -17.596 1.00 63.24 H new ATOM 0 HD3 PRO A 51 27.952 -19.444 -17.512 1.00 63.24 H new ATOM 413 N VAL A 52 26.423 -22.343 -20.360 1.00 15.25 N ATOM 414 CA VAL A 52 25.530 -23.412 -20.777 1.00 14.44 C ATOM 415 C VAL A 52 24.240 -22.855 -21.364 1.00 53.25 C ATOM 416 O VAL A 52 23.539 -23.551 -22.093 1.00 71.15 O ATOM 417 CB VAL A 52 25.206 -24.332 -19.580 1.00 42.52 C ATOM 418 CG1 VAL A 52 24.118 -25.332 -19.924 1.00 3.01 C ATOM 419 CG2 VAL A 52 26.461 -25.044 -19.100 1.00 60.54 C ATOM 0 H VAL A 52 26.198 -21.953 -19.445 1.00 15.25 H new ATOM 0 HA VAL A 52 26.036 -23.990 -21.550 1.00 14.44 H new ATOM 0 HB VAL A 52 24.831 -23.705 -18.771 1.00 42.52 H new ATOM 0 HG11 VAL A 52 23.916 -25.963 -19.058 1.00 3.01 H new ATOM 0 HG12 VAL A 52 23.209 -24.799 -20.204 1.00 3.01 H new ATOM 0 HG13 VAL A 52 24.446 -25.954 -20.757 1.00 3.01 H new ATOM 0 HG21 VAL A 52 26.214 -25.688 -18.256 1.00 60.54 H new ATOM 0 HG22 VAL A 52 26.869 -25.648 -19.910 1.00 60.54 H new ATOM 0 HG23 VAL A 52 27.201 -24.307 -18.789 1.00 60.54 H new ATOM 429 N VAL A 53 23.950 -21.597 -21.060 1.00 42.23 N ATOM 430 CA VAL A 53 22.764 -20.936 -21.580 1.00 24.33 C ATOM 431 C VAL A 53 23.149 -20.112 -22.802 1.00 32.11 C ATOM 432 O VAL A 53 22.343 -19.889 -23.705 1.00 32.22 O ATOM 433 CB VAL A 53 22.098 -20.034 -20.513 1.00 41.34 C ATOM 434 CG1 VAL A 53 22.767 -18.668 -20.441 1.00 11.14 C ATOM 435 CG2 VAL A 53 20.610 -19.889 -20.796 1.00 33.30 C ATOM 0 H VAL A 53 24.524 -21.013 -20.453 1.00 42.23 H new ATOM 0 HA VAL A 53 22.037 -21.698 -21.859 1.00 24.33 H new ATOM 0 HB VAL A 53 22.225 -20.514 -19.543 1.00 41.34 H new ATOM 0 HG11 VAL A 53 22.274 -18.061 -19.682 1.00 11.14 H new ATOM 0 HG12 VAL A 53 23.818 -18.791 -20.181 1.00 11.14 H new ATOM 0 HG13 VAL A 53 22.688 -18.173 -21.409 1.00 11.14 H new ATOM 0 HG21 VAL A 53 20.156 -19.252 -20.037 1.00 33.30 H new ATOM 0 HG22 VAL A 53 20.469 -19.440 -21.779 1.00 33.30 H new ATOM 0 HG23 VAL A 53 20.138 -20.871 -20.775 1.00 33.30 H new ATOM 445 N VAL A 54 24.409 -19.681 -22.818 1.00 11.00 N ATOM 446 CA VAL A 54 24.945 -18.901 -23.918 1.00 4.34 C ATOM 447 C VAL A 54 25.368 -19.804 -25.053 1.00 65.21 C ATOM 448 O VAL A 54 25.119 -19.509 -26.214 1.00 11.53 O ATOM 449 CB VAL A 54 26.160 -18.057 -23.481 1.00 23.12 C ATOM 450 CG1 VAL A 54 25.817 -17.179 -22.285 1.00 4.54 C ATOM 451 CG2 VAL A 54 27.358 -18.946 -23.164 1.00 72.22 C ATOM 0 H VAL A 54 25.079 -19.864 -22.071 1.00 11.00 H new ATOM 0 HA VAL A 54 24.150 -18.232 -24.248 1.00 4.34 H new ATOM 0 HB VAL A 54 26.427 -17.407 -24.314 1.00 23.12 H new ATOM 0 HG11 VAL A 54 26.692 -16.596 -21.999 1.00 4.54 H new ATOM 0 HG12 VAL A 54 25.002 -16.505 -22.550 1.00 4.54 H new ATOM 0 HG13 VAL A 54 25.511 -17.807 -21.449 1.00 4.54 H new ATOM 0 HG21 VAL A 54 28.201 -18.326 -22.859 1.00 72.22 H new ATOM 0 HG22 VAL A 54 27.100 -19.630 -22.356 1.00 72.22 H new ATOM 0 HG23 VAL A 54 27.631 -19.518 -24.051 1.00 72.22 H new ATOM 461 N GLY A 55 26.008 -20.910 -24.707 1.00 72.14 N ATOM 462 CA GLY A 55 26.458 -21.849 -25.713 1.00 34.24 C ATOM 463 C GLY A 55 25.398 -22.113 -26.754 1.00 63.15 C ATOM 464 O GLY A 55 25.709 -22.381 -27.909 1.00 42.44 O ATOM 0 H GLY A 55 26.224 -21.175 -23.746 1.00 72.14 H new ATOM 0 HA2 GLY A 55 27.353 -21.460 -26.198 1.00 34.24 H new ATOM 0 HA3 GLY A 55 26.737 -22.787 -25.234 1.00 34.24 H new ATOM 468 N ILE A 56 24.139 -22.012 -26.345 1.00 32.20 N ATOM 469 CA ILE A 56 23.026 -22.222 -27.273 1.00 15.15 C ATOM 470 C ILE A 56 22.761 -20.945 -28.054 1.00 60.25 C ATOM 471 O ILE A 56 22.538 -20.975 -29.265 1.00 0.21 O ATOM 472 CB ILE A 56 21.729 -22.646 -26.555 1.00 62.14 C ATOM 473 CG1 ILE A 56 22.043 -23.508 -25.335 1.00 71.24 C ATOM 474 CG2 ILE A 56 20.811 -23.389 -27.513 1.00 64.31 C ATOM 475 CD1 ILE A 56 22.014 -22.730 -24.043 1.00 3.14 C ATOM 0 H ILE A 56 23.861 -21.789 -25.389 1.00 32.20 H new ATOM 0 HA ILE A 56 23.318 -23.031 -27.942 1.00 15.15 H new ATOM 0 HB ILE A 56 21.217 -21.747 -26.213 1.00 62.14 H new ATOM 0 HG12 ILE A 56 21.323 -24.324 -25.278 1.00 71.24 H new ATOM 0 HG13 ILE A 56 23.027 -23.960 -25.459 1.00 71.24 H new ATOM 0 HG21 ILE A 56 19.900 -23.681 -26.991 1.00 64.31 H new ATOM 0 HG22 ILE A 56 20.557 -22.739 -28.351 1.00 64.31 H new ATOM 0 HG23 ILE A 56 21.318 -24.279 -27.885 1.00 64.31 H new ATOM 0 HD11 ILE A 56 22.245 -23.396 -23.212 1.00 3.14 H new ATOM 0 HD12 ILE A 56 22.754 -21.930 -24.083 1.00 3.14 H new ATOM 0 HD13 ILE A 56 21.023 -22.300 -23.899 1.00 3.14 H new ATOM 487 N LYS A 57 22.814 -19.819 -27.357 1.00 22.34 N ATOM 488 CA LYS A 57 22.612 -18.527 -27.989 1.00 35.04 C ATOM 489 C LYS A 57 23.860 -18.149 -28.778 1.00 20.33 C ATOM 490 O LYS A 57 23.802 -17.349 -29.711 1.00 62.15 O ATOM 491 CB LYS A 57 22.300 -17.456 -26.940 1.00 31.32 C ATOM 492 CG LYS A 57 20.833 -17.063 -26.890 1.00 61.40 C ATOM 493 CD LYS A 57 20.629 -15.604 -27.271 1.00 75.11 C ATOM 494 CE LYS A 57 21.032 -14.672 -26.140 1.00 64.32 C ATOM 495 NZ LYS A 57 20.218 -13.426 -26.131 1.00 11.53 N ATOM 0 H LYS A 57 22.995 -19.776 -26.354 1.00 22.34 H new ATOM 0 HA LYS A 57 21.762 -18.592 -28.668 1.00 35.04 H new ATOM 0 HB2 LYS A 57 22.603 -17.821 -25.959 1.00 31.32 H new ATOM 0 HB3 LYS A 57 22.898 -16.569 -27.149 1.00 31.32 H new ATOM 0 HG2 LYS A 57 20.262 -17.699 -27.567 1.00 61.40 H new ATOM 0 HG3 LYS A 57 20.444 -17.235 -25.886 1.00 61.40 H new ATOM 0 HD2 LYS A 57 21.216 -15.374 -28.160 1.00 75.11 H new ATOM 0 HD3 LYS A 57 19.583 -15.436 -27.527 1.00 75.11 H new ATOM 0 HE2 LYS A 57 20.917 -15.187 -25.186 1.00 64.32 H new ATOM 0 HE3 LYS A 57 22.087 -14.416 -26.239 1.00 64.32 H new ATOM 0 HZ1 LYS A 57 20.784 -12.644 -25.745 1.00 11.53 H new ATOM 0 HZ2 LYS A 57 19.926 -13.195 -27.102 1.00 11.53 H new ATOM 0 HZ3 LYS A 57 19.374 -13.567 -25.540 1.00 11.53 H new ATOM 509 N ALA A 58 24.989 -18.748 -28.398 1.00 4.15 N ATOM 510 CA ALA A 58 26.252 -18.493 -29.069 1.00 10.12 C ATOM 511 C ALA A 58 26.390 -19.385 -30.300 1.00 62.23 C ATOM 512 O ALA A 58 27.071 -19.032 -31.264 1.00 43.22 O ATOM 513 CB ALA A 58 27.411 -18.712 -28.105 1.00 25.32 C ATOM 0 H ALA A 58 25.049 -19.413 -27.627 1.00 4.15 H new ATOM 0 HA ALA A 58 26.273 -17.455 -29.400 1.00 10.12 H new ATOM 0 HB1 ALA A 58 28.353 -18.518 -28.618 1.00 25.32 H new ATOM 0 HB2 ALA A 58 27.313 -18.033 -27.258 1.00 25.32 H new ATOM 0 HB3 ALA A 58 27.398 -19.742 -27.748 1.00 25.32 H new ATOM 519 N ILE A 59 25.723 -20.537 -30.263 1.00 20.50 N ATOM 520 CA ILE A 59 25.749 -21.476 -31.378 1.00 23.13 C ATOM 521 C ILE A 59 24.574 -21.227 -32.306 1.00 20.42 C ATOM 522 O ILE A 59 24.726 -21.186 -33.527 1.00 55.53 O ATOM 523 CB ILE A 59 25.717 -22.935 -30.892 1.00 65.21 C ATOM 524 CG1 ILE A 59 24.457 -23.221 -30.077 1.00 75.40 C ATOM 525 CG2 ILE A 59 26.959 -23.227 -30.077 1.00 31.20 C ATOM 526 CD1 ILE A 59 23.296 -23.720 -30.908 1.00 74.42 C ATOM 0 H ILE A 59 25.158 -20.841 -29.470 1.00 20.50 H new ATOM 0 HA ILE A 59 26.683 -21.315 -31.917 1.00 23.13 H new ATOM 0 HB ILE A 59 25.698 -23.590 -31.763 1.00 65.21 H new ATOM 0 HG12 ILE A 59 24.690 -23.962 -29.312 1.00 75.40 H new ATOM 0 HG13 ILE A 59 24.156 -22.311 -29.558 1.00 75.40 H new ATOM 0 HG21 ILE A 59 26.934 -24.261 -29.734 1.00 31.20 H new ATOM 0 HG22 ILE A 59 27.844 -23.071 -30.694 1.00 31.20 H new ATOM 0 HG23 ILE A 59 26.994 -22.560 -29.216 1.00 31.20 H new ATOM 0 HD11 ILE A 59 22.437 -23.901 -30.262 1.00 74.42 H new ATOM 0 HD12 ILE A 59 23.035 -22.971 -31.656 1.00 74.42 H new ATOM 0 HD13 ILE A 59 23.577 -24.648 -31.406 1.00 74.42 H new ATOM 538 N GLY A 60 23.405 -21.032 -31.714 1.00 64.00 N ATOM 539 CA GLY A 60 22.220 -20.755 -32.494 1.00 20.12 C ATOM 540 C GLY A 60 22.095 -19.276 -32.796 1.00 50.11 C ATOM 541 O GLY A 60 21.179 -18.851 -33.499 1.00 3.13 O ATOM 0 H GLY A 60 23.257 -21.061 -30.705 1.00 64.00 H new ATOM 0 HA2 GLY A 60 22.256 -21.317 -33.427 1.00 20.12 H new ATOM 0 HA3 GLY A 60 21.337 -21.094 -31.952 1.00 20.12 H new ATOM 545 N LYS A 61 23.028 -18.490 -32.259 1.00 24.45 N ATOM 546 CA LYS A 61 23.027 -17.047 -32.474 1.00 74.24 C ATOM 547 C LYS A 61 24.413 -16.458 -32.226 1.00 3.25 C ATOM 548 O LYS A 61 24.604 -15.257 -32.513 1.00 44.54 O ATOM 549 CB LYS A 61 22.001 -16.376 -31.556 1.00 41.00 C ATOM 550 CG LYS A 61 21.101 -15.383 -32.275 1.00 32.23 C ATOM 551 CD LYS A 61 21.429 -13.949 -31.887 1.00 43.22 C ATOM 552 CE LYS A 61 20.710 -13.535 -30.613 1.00 74.22 C ATOM 553 NZ LYS A 61 21.666 -13.162 -29.533 1.00 73.40 N ATOM 554 OXT LYS A 61 25.294 -17.202 -31.749 1.00 39.17 O ATOM 0 H LYS A 61 23.791 -18.829 -31.674 1.00 24.45 H new ATOM 0 HA LYS A 61 22.754 -16.859 -33.512 1.00 74.24 H new ATOM 0 HB2 LYS A 61 21.383 -17.145 -31.092 1.00 41.00 H new ATOM 0 HB3 LYS A 61 22.527 -15.861 -30.752 1.00 41.00 H new ATOM 0 HG2 LYS A 61 21.212 -15.504 -33.353 1.00 32.23 H new ATOM 0 HG3 LYS A 61 20.059 -15.596 -32.036 1.00 32.23 H new ATOM 0 HD2 LYS A 61 22.505 -13.846 -31.748 1.00 43.22 H new ATOM 0 HD3 LYS A 61 21.147 -13.278 -32.699 1.00 43.22 H new ATOM 0 HE2 LYS A 61 20.053 -12.691 -30.824 1.00 74.22 H new ATOM 0 HE3 LYS A 61 20.077 -14.354 -30.271 1.00 74.22 H new ATOM 0 HZ1 LYS A 61 21.140 -12.951 -28.661 1.00 73.40 H new ATOM 0 HZ2 LYS A 61 22.320 -13.952 -29.360 1.00 73.40 H new ATOM 0 HZ3 LYS A 61 22.206 -12.322 -29.823 1.00 73.40 H new TER 568 LYS A 61