USER MOD reduce.3.24.130724 H: found=0, std=0, add=305, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 308 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 159:sc= -0.0275 (180deg=-0.637) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 1.671 0.224 -0.068 1.00 13.00 N ATOM 2 CA GLY A 26 1.965 -0.027 -1.506 1.00 45.03 C ATOM 3 C GLY A 26 2.602 -1.383 -1.739 1.00 71.23 C ATOM 4 O GLY A 26 3.613 -1.715 -1.120 1.00 63.13 O ATOM 0 HA2 GLY A 26 1.041 0.040 -2.080 1.00 45.03 H new ATOM 0 HA3 GLY A 26 2.629 0.752 -1.879 1.00 45.03 H new ATOM 10 N GLY A 27 2.010 -2.168 -2.633 1.00 52.43 N ATOM 11 CA GLY A 27 2.541 -3.485 -2.930 1.00 61.13 C ATOM 12 C GLY A 27 3.625 -3.454 -3.990 1.00 23.10 C ATOM 13 O GLY A 27 4.440 -4.372 -4.075 1.00 63.42 O ATOM 0 H GLY A 27 1.172 -1.916 -3.157 1.00 52.43 H new ATOM 0 HA2 GLY A 27 2.944 -3.924 -2.017 1.00 61.13 H new ATOM 0 HA3 GLY A 27 1.730 -4.132 -3.264 1.00 61.13 H new ATOM 17 N LEU A 28 3.639 -2.395 -4.801 1.00 31.41 N ATOM 18 CA LEU A 28 4.636 -2.253 -5.860 1.00 65.52 C ATOM 19 C LEU A 28 6.030 -2.573 -5.338 1.00 1.13 C ATOM 20 O LEU A 28 6.679 -3.513 -5.798 1.00 60.45 O ATOM 21 CB LEU A 28 4.612 -0.829 -6.421 1.00 14.01 C ATOM 22 CG LEU A 28 5.670 -0.526 -7.488 1.00 31.30 C ATOM 23 CD1 LEU A 28 6.996 -0.164 -6.837 1.00 54.10 C ATOM 24 CD2 LEU A 28 5.843 -1.711 -8.428 1.00 15.51 C ATOM 0 H LEU A 28 2.972 -1.625 -4.744 1.00 31.41 H new ATOM 0 HA LEU A 28 4.390 -2.958 -6.654 1.00 65.52 H new ATOM 0 HB2 LEU A 28 3.626 -0.641 -6.847 1.00 14.01 H new ATOM 0 HB3 LEU A 28 4.742 -0.129 -5.596 1.00 14.01 H new ATOM 0 HG LEU A 28 5.329 0.327 -8.074 1.00 31.30 H new ATOM 0 HD11 LEU A 28 7.735 0.048 -7.610 1.00 54.10 H new ATOM 0 HD12 LEU A 28 6.865 0.717 -6.209 1.00 54.10 H new ATOM 0 HD13 LEU A 28 7.340 -0.997 -6.225 1.00 54.10 H new ATOM 0 HD21 LEU A 28 6.598 -1.474 -9.177 1.00 15.51 H new ATOM 0 HD22 LEU A 28 6.159 -2.585 -7.858 1.00 15.51 H new ATOM 0 HD23 LEU A 28 4.896 -1.924 -8.923 1.00 15.51 H new ATOM 36 N LYS A 29 6.476 -1.795 -4.361 1.00 40.20 N ATOM 37 CA LYS A 29 7.785 -2.005 -3.757 1.00 30.30 C ATOM 38 C LYS A 29 7.881 -3.416 -3.182 1.00 2.50 C ATOM 39 O LYS A 29 8.971 -3.964 -3.024 1.00 13.44 O ATOM 40 CB LYS A 29 8.037 -0.972 -2.656 1.00 54.41 C ATOM 41 CG LYS A 29 6.965 -0.957 -1.579 1.00 43.21 C ATOM 42 CD LYS A 29 7.560 -0.694 -0.204 1.00 42.10 C ATOM 43 CE LYS A 29 6.491 -0.284 0.795 1.00 33.43 C ATOM 44 NZ LYS A 29 7.020 0.661 1.818 1.00 2.35 N ATOM 0 H LYS A 29 5.951 -1.013 -3.970 1.00 40.20 H new ATOM 0 HA LYS A 29 8.545 -1.886 -4.529 1.00 30.30 H new ATOM 0 HB2 LYS A 29 9.003 -1.175 -2.193 1.00 54.41 H new ATOM 0 HB3 LYS A 29 8.102 0.018 -3.106 1.00 54.41 H new ATOM 0 HG2 LYS A 29 6.226 -0.189 -1.810 1.00 43.21 H new ATOM 0 HG3 LYS A 29 6.440 -1.912 -1.573 1.00 43.21 H new ATOM 0 HD2 LYS A 29 8.068 -1.591 0.152 1.00 42.10 H new ATOM 0 HD3 LYS A 29 8.313 0.091 -0.276 1.00 42.10 H new ATOM 0 HE2 LYS A 29 5.659 0.182 0.266 1.00 33.43 H new ATOM 0 HE3 LYS A 29 6.097 -1.172 1.290 1.00 33.43 H new ATOM 0 HZ1 LYS A 29 6.260 0.916 2.481 1.00 2.35 H new ATOM 0 HZ2 LYS A 29 7.797 0.208 2.340 1.00 2.35 H new ATOM 0 HZ3 LYS A 29 7.373 1.519 1.348 1.00 2.35 H new ATOM 58 N LYS A 30 6.723 -3.995 -2.873 1.00 60.40 N ATOM 59 CA LYS A 30 6.657 -5.341 -2.318 1.00 34.13 C ATOM 60 C LYS A 30 6.951 -6.386 -3.388 1.00 41.42 C ATOM 61 O LYS A 30 7.561 -7.418 -3.111 1.00 23.24 O ATOM 62 CB LYS A 30 5.273 -5.591 -1.712 1.00 51.43 C ATOM 63 CG LYS A 30 5.303 -6.450 -0.459 1.00 74.13 C ATOM 64 CD LYS A 30 3.976 -6.401 0.282 1.00 74.32 C ATOM 65 CE LYS A 30 3.973 -5.316 1.346 1.00 24.22 C ATOM 66 NZ LYS A 30 3.546 -4.000 0.796 1.00 2.03 N ATOM 0 H LYS A 30 5.814 -3.549 -2.999 1.00 60.40 H new ATOM 0 HA LYS A 30 7.413 -5.426 -1.537 1.00 34.13 H new ATOM 0 HB2 LYS A 30 4.811 -4.633 -1.474 1.00 51.43 H new ATOM 0 HB3 LYS A 30 4.641 -6.073 -2.458 1.00 51.43 H new ATOM 0 HG2 LYS A 30 5.532 -7.481 -0.729 1.00 74.13 H new ATOM 0 HG3 LYS A 30 6.101 -6.107 0.199 1.00 74.13 H new ATOM 0 HD2 LYS A 30 3.168 -6.219 -0.427 1.00 74.32 H new ATOM 0 HD3 LYS A 30 3.781 -7.368 0.746 1.00 74.32 H new ATOM 0 HE2 LYS A 30 3.304 -5.605 2.157 1.00 24.22 H new ATOM 0 HE3 LYS A 30 4.971 -5.224 1.774 1.00 24.22 H new ATOM 0 HZ1 LYS A 30 3.216 -3.390 1.571 1.00 2.03 H new ATOM 0 HZ2 LYS A 30 4.350 -3.546 0.317 1.00 2.03 H new ATOM 0 HZ3 LYS A 30 2.773 -4.143 0.115 1.00 2.03 H new ATOM 80 N LEU A 31 6.511 -6.112 -4.613 1.00 61.25 N ATOM 81 CA LEU A 31 6.724 -7.028 -5.725 1.00 41.53 C ATOM 82 C LEU A 31 8.122 -6.854 -6.316 1.00 64.33 C ATOM 83 O LEU A 31 8.718 -7.807 -6.819 1.00 11.04 O ATOM 84 CB LEU A 31 5.655 -6.810 -6.804 1.00 73.00 C ATOM 85 CG LEU A 31 5.978 -5.738 -7.850 1.00 70.12 C ATOM 86 CD1 LEU A 31 6.629 -6.366 -9.073 1.00 31.32 C ATOM 87 CD2 LEU A 31 4.719 -4.981 -8.243 1.00 21.23 C ATOM 0 H LEU A 31 6.004 -5.262 -4.859 1.00 61.25 H new ATOM 0 HA LEU A 31 6.641 -8.048 -5.349 1.00 41.53 H new ATOM 0 HB2 LEU A 31 5.487 -7.756 -7.319 1.00 73.00 H new ATOM 0 HB3 LEU A 31 4.719 -6.543 -6.314 1.00 73.00 H new ATOM 0 HG LEU A 31 6.682 -5.030 -7.412 1.00 70.12 H new ATOM 0 HD11 LEU A 31 6.852 -5.590 -9.806 1.00 31.32 H new ATOM 0 HD12 LEU A 31 7.553 -6.863 -8.778 1.00 31.32 H new ATOM 0 HD13 LEU A 31 5.949 -7.096 -9.513 1.00 31.32 H new ATOM 0 HD21 LEU A 31 4.967 -4.224 -8.987 1.00 21.23 H new ATOM 0 HD22 LEU A 31 3.992 -5.677 -8.662 1.00 21.23 H new ATOM 0 HD23 LEU A 31 4.294 -4.499 -7.362 1.00 21.23 H new ATOM 99 N GLY A 32 8.636 -5.630 -6.252 1.00 2.31 N ATOM 100 CA GLY A 32 9.956 -5.350 -6.785 1.00 64.11 C ATOM 101 C GLY A 32 11.068 -5.954 -5.949 1.00 44.13 C ATOM 102 O GLY A 32 12.177 -6.161 -6.439 1.00 54.22 O ATOM 0 H GLY A 32 8.161 -4.827 -5.840 1.00 2.31 H new ATOM 0 HA2 GLY A 32 10.022 -5.736 -7.802 1.00 64.11 H new ATOM 0 HA3 GLY A 32 10.097 -4.271 -6.844 1.00 64.11 H new ATOM 106 N LYS A 33 10.774 -6.234 -4.682 1.00 44.10 N ATOM 107 CA LYS A 33 11.764 -6.814 -3.780 1.00 51.01 C ATOM 108 C LYS A 33 11.597 -8.328 -3.687 1.00 55.01 C ATOM 109 O LYS A 33 12.566 -9.056 -3.469 1.00 64.34 O ATOM 110 CB LYS A 33 11.644 -6.187 -2.389 1.00 72.10 C ATOM 111 CG LYS A 33 12.747 -5.189 -2.074 1.00 34.15 C ATOM 112 CD LYS A 33 12.380 -3.788 -2.535 1.00 31.04 C ATOM 113 CE LYS A 33 13.537 -3.117 -3.259 1.00 43.40 C ATOM 114 NZ LYS A 33 13.367 -3.159 -4.737 1.00 32.44 N ATOM 0 H LYS A 33 9.861 -6.069 -4.258 1.00 44.10 H new ATOM 0 HA LYS A 33 12.755 -6.602 -4.182 1.00 51.01 H new ATOM 0 HB2 LYS A 33 10.679 -5.687 -2.307 1.00 72.10 H new ATOM 0 HB3 LYS A 33 11.657 -6.979 -1.640 1.00 72.10 H new ATOM 0 HG2 LYS A 33 12.937 -5.182 -1.001 1.00 34.15 H new ATOM 0 HG3 LYS A 33 13.672 -5.502 -2.559 1.00 34.15 H new ATOM 0 HD2 LYS A 33 11.515 -3.837 -3.196 1.00 31.04 H new ATOM 0 HD3 LYS A 33 12.090 -3.185 -1.674 1.00 31.04 H new ATOM 0 HE2 LYS A 33 13.617 -2.080 -2.932 1.00 43.40 H new ATOM 0 HE3 LYS A 33 14.470 -3.610 -2.987 1.00 43.40 H new ATOM 0 HZ1 LYS A 33 14.176 -2.691 -5.193 1.00 32.44 H new ATOM 0 HZ2 LYS A 33 13.316 -4.149 -5.053 1.00 32.44 H new ATOM 0 HZ3 LYS A 33 12.490 -2.666 -5.000 1.00 32.44 H new ATOM 128 N LYS A 34 10.365 -8.796 -3.853 1.00 74.40 N ATOM 129 CA LYS A 34 10.074 -10.223 -3.786 1.00 60.41 C ATOM 130 C LYS A 34 10.741 -10.972 -4.936 1.00 15.41 C ATOM 131 O LYS A 34 11.529 -11.892 -4.717 1.00 4.11 O ATOM 132 CB LYS A 34 8.563 -10.457 -3.818 1.00 52.33 C ATOM 133 CG LYS A 34 8.161 -11.888 -3.500 1.00 24.52 C ATOM 134 CD LYS A 34 6.733 -11.963 -2.987 1.00 75.13 C ATOM 135 CE LYS A 34 6.233 -13.398 -2.940 1.00 44.20 C ATOM 136 NZ LYS A 34 4.768 -13.484 -3.191 1.00 30.44 N ATOM 0 H LYS A 34 9.552 -8.208 -4.035 1.00 74.40 H new ATOM 0 HA LYS A 34 10.476 -10.606 -2.848 1.00 60.41 H new ATOM 0 HB2 LYS A 34 8.085 -9.787 -3.103 1.00 52.33 H new ATOM 0 HB3 LYS A 34 8.184 -10.193 -4.805 1.00 52.33 H new ATOM 0 HG2 LYS A 34 8.260 -12.503 -4.395 1.00 24.52 H new ATOM 0 HG3 LYS A 34 8.839 -12.300 -2.753 1.00 24.52 H new ATOM 0 HD2 LYS A 34 6.680 -11.525 -1.990 1.00 75.13 H new ATOM 0 HD3 LYS A 34 6.082 -11.371 -3.630 1.00 75.13 H new ATOM 0 HE2 LYS A 34 6.764 -13.992 -3.684 1.00 44.20 H new ATOM 0 HE3 LYS A 34 6.460 -13.830 -1.965 1.00 44.20 H new ATOM 0 HZ1 LYS A 34 4.467 -14.479 -3.150 1.00 30.44 H new ATOM 0 HZ2 LYS A 34 4.259 -12.938 -2.467 1.00 30.44 H new ATOM 0 HZ3 LYS A 34 4.554 -13.095 -4.132 1.00 30.44 H new ATOM 150 N LEU A 35 10.418 -10.572 -6.162 1.00 53.41 N ATOM 151 CA LEU A 35 10.984 -11.207 -7.347 1.00 51.15 C ATOM 152 C LEU A 35 12.505 -11.094 -7.358 1.00 20.02 C ATOM 153 O LEU A 35 13.209 -12.079 -7.584 1.00 42.24 O ATOM 154 CB LEU A 35 10.409 -10.568 -8.614 1.00 11.40 C ATOM 155 CG LEU A 35 10.393 -11.466 -9.855 1.00 42.05 C ATOM 156 CD1 LEU A 35 10.126 -10.640 -11.103 1.00 42.10 C ATOM 157 CD2 LEU A 35 11.707 -12.225 -9.993 1.00 13.03 C ATOM 0 H LEU A 35 9.768 -9.812 -6.361 1.00 53.41 H new ATOM 0 HA LEU A 35 10.718 -12.264 -7.322 1.00 51.15 H new ATOM 0 HB2 LEU A 35 9.389 -10.246 -8.407 1.00 11.40 H new ATOM 0 HB3 LEU A 35 10.986 -9.672 -8.842 1.00 11.40 H new ATOM 0 HG LEU A 35 9.590 -12.193 -9.738 1.00 42.05 H new ATOM 0 HD11 LEU A 35 10.118 -11.292 -11.976 1.00 42.10 H new ATOM 0 HD12 LEU A 35 9.160 -10.144 -11.011 1.00 42.10 H new ATOM 0 HD13 LEU A 35 10.909 -9.890 -11.218 1.00 42.10 H new ATOM 0 HD21 LEU A 35 11.671 -12.856 -10.881 1.00 13.03 H new ATOM 0 HD22 LEU A 35 12.529 -11.515 -10.085 1.00 13.03 H new ATOM 0 HD23 LEU A 35 11.862 -12.848 -9.112 1.00 13.03 H new ATOM 169 N GLU A 36 13.006 -9.887 -7.120 1.00 10.11 N ATOM 170 CA GLU A 36 14.444 -9.643 -7.110 1.00 24.54 C ATOM 171 C GLU A 36 15.153 -10.581 -6.138 1.00 0.42 C ATOM 172 O GLU A 36 16.254 -11.059 -6.415 1.00 63.43 O ATOM 173 CB GLU A 36 14.733 -8.186 -6.740 1.00 1.23 C ATOM 174 CG GLU A 36 15.566 -7.450 -7.777 1.00 11.50 C ATOM 175 CD GLU A 36 16.972 -8.003 -7.895 1.00 0.22 C ATOM 176 OE1 GLU A 36 17.112 -9.209 -8.188 1.00 61.30 O ATOM 177 OE2 GLU A 36 17.933 -7.231 -7.694 1.00 1.02 O ATOM 0 H GLU A 36 12.437 -9.062 -6.931 1.00 10.11 H new ATOM 0 HA GLU A 36 14.826 -9.838 -8.112 1.00 24.54 H new ATOM 0 HB2 GLU A 36 13.788 -7.660 -6.605 1.00 1.23 H new ATOM 0 HB3 GLU A 36 15.253 -8.159 -5.782 1.00 1.23 H new ATOM 0 HG2 GLU A 36 15.072 -7.514 -8.746 1.00 11.50 H new ATOM 0 HG3 GLU A 36 15.616 -6.393 -7.514 1.00 11.50 H new ATOM 184 N GLY A 37 14.516 -10.844 -5.001 1.00 45.32 N ATOM 185 CA GLY A 37 15.103 -11.725 -4.007 1.00 52.34 C ATOM 186 C GLY A 37 15.492 -13.073 -4.581 1.00 20.41 C ATOM 187 O GLY A 37 16.540 -13.620 -4.240 1.00 5.35 O ATOM 0 H GLY A 37 13.604 -10.463 -4.750 1.00 45.32 H new ATOM 0 HA2 GLY A 37 15.985 -11.248 -3.579 1.00 52.34 H new ATOM 0 HA3 GLY A 37 14.394 -11.872 -3.193 1.00 52.34 H new ATOM 191 N ALA A 38 14.649 -13.605 -5.458 1.00 62.45 N ATOM 192 CA ALA A 38 14.914 -14.893 -6.085 1.00 24.13 C ATOM 193 C ALA A 38 16.108 -14.802 -7.026 1.00 12.11 C ATOM 194 O ALA A 38 17.019 -15.628 -6.975 1.00 54.33 O ATOM 195 CB ALA A 38 13.683 -15.380 -6.833 1.00 2.21 C ATOM 0 H ALA A 38 13.777 -13.164 -5.751 1.00 62.45 H new ATOM 0 HA ALA A 38 15.153 -15.612 -5.302 1.00 24.13 H new ATOM 0 HB1 ALA A 38 13.896 -16.343 -7.296 1.00 2.21 H new ATOM 0 HB2 ALA A 38 12.853 -15.489 -6.135 1.00 2.21 H new ATOM 0 HB3 ALA A 38 13.417 -14.658 -7.604 1.00 2.21 H new ATOM 201 N GLY A 39 16.096 -13.787 -7.886 1.00 12.53 N ATOM 202 CA GLY A 39 17.182 -13.596 -8.828 1.00 44.23 C ATOM 203 C GLY A 39 18.535 -13.517 -8.151 1.00 25.44 C ATOM 204 O GLY A 39 19.530 -14.008 -8.683 1.00 31.42 O ATOM 0 H GLY A 39 15.351 -13.093 -7.946 1.00 12.53 H new ATOM 0 HA2 GLY A 39 17.186 -14.418 -9.544 1.00 44.23 H new ATOM 0 HA3 GLY A 39 17.010 -12.681 -9.395 1.00 44.23 H new ATOM 208 N LYS A 40 18.576 -12.900 -6.972 1.00 54.33 N ATOM 209 CA LYS A 40 19.827 -12.770 -6.230 1.00 62.41 C ATOM 210 C LYS A 40 20.368 -14.144 -5.861 1.00 12.05 C ATOM 211 O LYS A 40 21.573 -14.367 -5.878 1.00 33.10 O ATOM 212 CB LYS A 40 19.634 -11.933 -4.963 1.00 54.22 C ATOM 213 CG LYS A 40 18.646 -10.788 -5.125 1.00 22.52 C ATOM 214 CD LYS A 40 19.139 -9.526 -4.435 1.00 64.03 C ATOM 215 CE LYS A 40 18.272 -8.326 -4.778 1.00 42.12 C ATOM 216 NZ LYS A 40 18.232 -7.335 -3.668 1.00 32.40 N ATOM 0 H LYS A 40 17.765 -12.486 -6.513 1.00 54.33 H new ATOM 0 HA LYS A 40 20.545 -12.261 -6.873 1.00 62.41 H new ATOM 0 HB2 LYS A 40 19.292 -12.584 -4.158 1.00 54.22 H new ATOM 0 HB3 LYS A 40 20.598 -11.527 -4.657 1.00 54.22 H new ATOM 0 HG2 LYS A 40 18.490 -10.587 -6.185 1.00 22.52 H new ATOM 0 HG3 LYS A 40 17.680 -11.077 -4.710 1.00 22.52 H new ATOM 0 HD2 LYS A 40 19.141 -9.678 -3.356 1.00 64.03 H new ATOM 0 HD3 LYS A 40 20.169 -9.328 -4.731 1.00 64.03 H new ATOM 0 HE2 LYS A 40 18.655 -7.847 -5.679 1.00 42.12 H new ATOM 0 HE3 LYS A 40 17.259 -8.662 -5.002 1.00 42.12 H new ATOM 0 HZ1 LYS A 40 17.631 -6.532 -3.941 1.00 32.40 H new ATOM 0 HZ2 LYS A 40 17.843 -7.785 -2.815 1.00 32.40 H new ATOM 0 HZ3 LYS A 40 19.195 -6.995 -3.471 1.00 32.40 H new ATOM 230 N ARG A 41 19.464 -15.062 -5.536 1.00 42.54 N ATOM 231 CA ARG A 41 19.850 -16.423 -5.177 1.00 44.41 C ATOM 232 C ARG A 41 20.090 -17.250 -6.433 1.00 13.55 C ATOM 233 O ARG A 41 21.137 -17.876 -6.596 1.00 25.31 O ATOM 234 CB ARG A 41 18.761 -17.080 -4.323 1.00 15.34 C ATOM 235 CG ARG A 41 18.982 -18.568 -4.082 1.00 41.15 C ATOM 236 CD ARG A 41 18.447 -19.410 -5.234 1.00 22.31 C ATOM 237 NE ARG A 41 18.090 -20.760 -4.803 1.00 3.40 N ATOM 238 CZ ARG A 41 18.979 -21.718 -4.552 1.00 24.31 C ATOM 239 NH1 ARG A 41 20.277 -21.483 -4.690 1.00 71.14 N ATOM 240 NH2 ARG A 41 18.568 -22.917 -4.161 1.00 63.31 N ATOM 0 H ARG A 41 18.459 -14.889 -5.514 1.00 42.54 H new ATOM 0 HA ARG A 41 20.772 -16.379 -4.598 1.00 44.41 H new ATOM 0 HB2 ARG A 41 18.709 -16.570 -3.361 1.00 15.34 H new ATOM 0 HB3 ARG A 41 17.796 -16.940 -4.811 1.00 15.34 H new ATOM 0 HG2 ARG A 41 20.047 -18.762 -3.953 1.00 41.15 H new ATOM 0 HG3 ARG A 41 18.490 -18.864 -3.156 1.00 41.15 H new ATOM 0 HD2 ARG A 41 17.572 -18.923 -5.664 1.00 22.31 H new ATOM 0 HD3 ARG A 41 19.199 -19.467 -6.021 1.00 22.31 H new ATOM 0 HE ARG A 41 17.101 -20.981 -4.688 1.00 3.40 H new ATOM 0 HH11 ARG A 41 20.600 -20.563 -4.990 1.00 71.14 H new ATOM 0 HH12 ARG A 41 20.953 -22.222 -4.496 1.00 71.14 H new ATOM 0 HH21 ARG A 41 17.571 -23.104 -4.053 1.00 63.31 H new ATOM 0 HH22 ARG A 41 19.249 -23.652 -3.968 1.00 63.31 H new ATOM 254 N VAL A 42 19.094 -17.252 -7.310 1.00 5.13 N ATOM 255 CA VAL A 42 19.156 -18.002 -8.558 1.00 10.11 C ATOM 256 C VAL A 42 20.372 -17.622 -9.386 1.00 52.23 C ATOM 257 O VAL A 42 20.827 -18.397 -10.226 1.00 22.32 O ATOM 258 CB VAL A 42 17.893 -17.772 -9.400 1.00 44.01 C ATOM 259 CG1 VAL A 42 17.847 -18.740 -10.574 1.00 15.14 C ATOM 260 CG2 VAL A 42 16.653 -17.903 -8.536 1.00 0.22 C ATOM 0 H VAL A 42 18.224 -16.736 -7.177 1.00 5.13 H new ATOM 0 HA VAL A 42 19.231 -19.055 -8.285 1.00 10.11 H new ATOM 0 HB VAL A 42 17.922 -16.760 -9.803 1.00 44.01 H new ATOM 0 HG11 VAL A 42 16.944 -18.561 -11.158 1.00 15.14 H new ATOM 0 HG12 VAL A 42 18.723 -18.589 -11.204 1.00 15.14 H new ATOM 0 HG13 VAL A 42 17.840 -19.764 -10.201 1.00 15.14 H new ATOM 0 HG21 VAL A 42 15.765 -17.737 -9.146 1.00 0.22 H new ATOM 0 HG22 VAL A 42 16.615 -18.903 -8.104 1.00 0.22 H new ATOM 0 HG23 VAL A 42 16.687 -17.163 -7.736 1.00 0.22 H new ATOM 270 N PHE A 43 20.899 -16.426 -9.152 1.00 42.11 N ATOM 271 CA PHE A 43 22.066 -15.959 -9.886 1.00 52.31 C ATOM 272 C PHE A 43 23.167 -17.020 -9.870 1.00 74.31 C ATOM 273 O PHE A 43 23.970 -17.108 -10.796 1.00 3.00 O ATOM 274 CB PHE A 43 22.569 -14.635 -9.301 1.00 44.41 C ATOM 275 CG PHE A 43 23.598 -14.788 -8.218 1.00 3.51 C ATOM 276 CD1 PHE A 43 23.368 -15.621 -7.138 1.00 42.21 C ATOM 277 CD2 PHE A 43 24.790 -14.092 -8.282 1.00 14.14 C ATOM 278 CE1 PHE A 43 24.310 -15.757 -6.137 1.00 51.45 C ATOM 279 CE2 PHE A 43 25.739 -14.224 -7.287 1.00 72.02 C ATOM 280 CZ PHE A 43 25.499 -15.056 -6.212 1.00 35.33 C ATOM 0 H PHE A 43 20.538 -15.766 -8.463 1.00 42.11 H new ATOM 0 HA PHE A 43 21.781 -15.785 -10.923 1.00 52.31 H new ATOM 0 HB2 PHE A 43 22.992 -14.034 -10.106 1.00 44.41 H new ATOM 0 HB3 PHE A 43 21.719 -14.081 -8.902 1.00 44.41 H new ATOM 0 HD1 PHE A 43 22.441 -16.172 -7.077 1.00 42.21 H new ATOM 0 HD2 PHE A 43 24.982 -13.437 -9.119 1.00 14.14 H new ATOM 0 HE1 PHE A 43 24.118 -16.409 -5.298 1.00 51.45 H new ATOM 0 HE2 PHE A 43 26.668 -13.677 -7.350 1.00 72.02 H new ATOM 0 HZ PHE A 43 26.238 -15.159 -5.431 1.00 35.33 H new ATOM 290 N LYS A 44 23.179 -17.836 -8.818 1.00 0.51 N ATOM 291 CA LYS A 44 24.160 -18.903 -8.686 1.00 71.43 C ATOM 292 C LYS A 44 23.769 -20.073 -9.576 1.00 33.31 C ATOM 293 O LYS A 44 24.622 -20.759 -10.139 1.00 63.02 O ATOM 294 CB LYS A 44 24.262 -19.360 -7.228 1.00 52.04 C ATOM 295 CG LYS A 44 25.686 -19.646 -6.778 1.00 14.14 C ATOM 296 CD LYS A 44 26.158 -18.649 -5.728 1.00 5.34 C ATOM 297 CE LYS A 44 27.366 -17.860 -6.208 1.00 71.24 C ATOM 298 NZ LYS A 44 28.640 -18.407 -5.664 1.00 2.51 N ATOM 0 H LYS A 44 22.517 -17.776 -8.044 1.00 0.51 H new ATOM 0 HA LYS A 44 25.134 -18.526 -8.997 1.00 71.43 H new ATOM 0 HB2 LYS A 44 23.834 -18.592 -6.584 1.00 52.04 H new ATOM 0 HB3 LYS A 44 23.660 -20.259 -7.095 1.00 52.04 H new ATOM 0 HG2 LYS A 44 25.743 -20.656 -6.372 1.00 14.14 H new ATOM 0 HG3 LYS A 44 26.353 -19.610 -7.639 1.00 14.14 H new ATOM 0 HD2 LYS A 44 25.347 -17.962 -5.487 1.00 5.34 H new ATOM 0 HD3 LYS A 44 26.410 -19.179 -4.810 1.00 5.34 H new ATOM 0 HE2 LYS A 44 27.400 -17.876 -7.297 1.00 71.24 H new ATOM 0 HE3 LYS A 44 27.261 -16.817 -5.908 1.00 71.24 H new ATOM 0 HZ1 LYS A 44 29.439 -17.841 -6.015 1.00 2.51 H new ATOM 0 HZ2 LYS A 44 28.619 -18.369 -4.625 1.00 2.51 H new ATOM 0 HZ3 LYS A 44 28.753 -19.394 -5.972 1.00 2.51 H new ATOM 312 N ALA A 45 22.462 -20.281 -9.708 1.00 3.53 N ATOM 313 CA ALA A 45 21.934 -21.351 -10.538 1.00 72.25 C ATOM 314 C ALA A 45 22.049 -20.981 -12.012 1.00 32.44 C ATOM 315 O ALA A 45 22.249 -21.843 -12.869 1.00 42.32 O ATOM 316 CB ALA A 45 20.485 -21.631 -10.168 1.00 42.34 C ATOM 0 H ALA A 45 21.748 -19.717 -9.246 1.00 3.53 H new ATOM 0 HA ALA A 45 22.518 -22.255 -10.364 1.00 72.25 H new ATOM 0 HB1 ALA A 45 20.098 -22.434 -10.795 1.00 42.34 H new ATOM 0 HB2 ALA A 45 20.428 -21.929 -9.121 1.00 42.34 H new ATOM 0 HB3 ALA A 45 19.890 -20.731 -10.322 1.00 42.34 H new ATOM 322 N SER A 46 21.921 -19.687 -12.296 1.00 62.32 N ATOM 323 CA SER A 46 22.011 -19.186 -13.662 1.00 74.51 C ATOM 324 C SER A 46 23.464 -18.936 -14.063 1.00 71.23 C ATOM 325 O SER A 46 23.896 -19.336 -15.143 1.00 12.43 O ATOM 326 CB SER A 46 21.197 -17.898 -13.808 1.00 63.12 C ATOM 327 OG SER A 46 20.062 -18.103 -14.630 1.00 72.50 O ATOM 0 H SER A 46 21.754 -18.966 -11.595 1.00 62.32 H new ATOM 0 HA SER A 46 21.600 -19.946 -14.327 1.00 74.51 H new ATOM 0 HB2 SER A 46 20.880 -17.551 -12.825 1.00 63.12 H new ATOM 0 HB3 SER A 46 21.823 -17.115 -14.236 1.00 63.12 H new ATOM 0 HG SER A 46 19.558 -17.266 -14.706 1.00 72.50 H new ATOM 333 N GLU A 47 24.215 -18.265 -13.188 1.00 2.21 N ATOM 334 CA GLU A 47 25.617 -17.962 -13.461 1.00 62.34 C ATOM 335 C GLU A 47 26.390 -19.227 -13.820 1.00 75.35 C ATOM 336 O GLU A 47 27.273 -19.207 -14.678 1.00 44.11 O ATOM 337 CB GLU A 47 26.271 -17.280 -12.256 1.00 41.02 C ATOM 338 CG GLU A 47 26.439 -18.194 -11.052 1.00 61.24 C ATOM 339 CD GLU A 47 27.715 -19.011 -11.114 1.00 51.50 C ATOM 340 OE1 GLU A 47 28.804 -18.405 -11.202 1.00 71.53 O ATOM 341 OE2 GLU A 47 27.625 -20.255 -11.076 1.00 23.25 O ATOM 0 H GLU A 47 23.876 -17.923 -12.289 1.00 2.21 H new ATOM 0 HA GLU A 47 25.647 -17.281 -14.311 1.00 62.34 H new ATOM 0 HB2 GLU A 47 27.249 -16.900 -12.552 1.00 41.02 H new ATOM 0 HB3 GLU A 47 25.669 -16.419 -11.966 1.00 41.02 H new ATOM 0 HG2 GLU A 47 26.440 -17.594 -10.142 1.00 61.24 H new ATOM 0 HG3 GLU A 47 25.584 -18.867 -10.989 1.00 61.24 H new ATOM 348 N LYS A 48 26.053 -20.326 -13.153 1.00 1.10 N ATOM 349 CA LYS A 48 26.716 -21.601 -13.398 1.00 10.43 C ATOM 350 C LYS A 48 26.373 -22.141 -14.783 1.00 3.30 C ATOM 351 O LYS A 48 27.197 -22.788 -15.428 1.00 54.13 O ATOM 352 CB LYS A 48 26.321 -22.619 -12.326 1.00 2.02 C ATOM 353 CG LYS A 48 27.499 -23.395 -11.760 1.00 61.41 C ATOM 354 CD LYS A 48 27.042 -24.636 -11.013 1.00 41.53 C ATOM 355 CE LYS A 48 28.219 -25.397 -10.425 1.00 42.13 C ATOM 356 NZ LYS A 48 27.806 -26.272 -9.293 1.00 32.45 N ATOM 0 H LYS A 48 25.325 -20.359 -12.439 1.00 1.10 H new ATOM 0 HA LYS A 48 27.792 -21.435 -13.353 1.00 10.43 H new ATOM 0 HB2 LYS A 48 25.814 -22.099 -11.513 1.00 2.02 H new ATOM 0 HB3 LYS A 48 25.604 -23.322 -12.751 1.00 2.02 H new ATOM 0 HG2 LYS A 48 28.169 -23.683 -12.570 1.00 61.41 H new ATOM 0 HG3 LYS A 48 28.069 -22.754 -11.088 1.00 61.41 H new ATOM 0 HD2 LYS A 48 26.357 -24.350 -10.215 1.00 41.53 H new ATOM 0 HD3 LYS A 48 26.488 -25.286 -11.690 1.00 41.53 H new ATOM 0 HE2 LYS A 48 28.683 -26.004 -11.202 1.00 42.13 H new ATOM 0 HE3 LYS A 48 28.973 -24.689 -10.080 1.00 42.13 H new ATOM 0 HZ1 LYS A 48 28.638 -26.773 -8.920 1.00 32.45 H new ATOM 0 HZ2 LYS A 48 27.386 -25.690 -8.540 1.00 32.45 H new ATOM 0 HZ3 LYS A 48 27.106 -26.964 -9.627 1.00 32.45 H new ATOM 370 N ALA A 49 25.152 -21.871 -15.235 1.00 74.21 N ATOM 371 CA ALA A 49 24.708 -22.333 -16.544 1.00 74.34 C ATOM 372 C ALA A 49 24.796 -21.235 -17.592 1.00 15.11 C ATOM 373 O ALA A 49 24.260 -21.388 -18.684 1.00 5.13 O ATOM 374 CB ALA A 49 23.288 -22.860 -16.476 1.00 4.35 C ATOM 0 H ALA A 49 24.455 -21.337 -14.716 1.00 74.21 H new ATOM 0 HA ALA A 49 25.378 -23.140 -16.840 1.00 74.34 H new ATOM 0 HB1 ALA A 49 22.978 -23.199 -17.464 1.00 4.35 H new ATOM 0 HB2 ALA A 49 23.243 -23.694 -15.775 1.00 4.35 H new ATOM 0 HB3 ALA A 49 22.621 -22.066 -16.139 1.00 4.35 H new ATOM 380 N LEU A 50 25.486 -20.137 -17.283 1.00 53.32 N ATOM 381 CA LEU A 50 25.625 -19.064 -18.260 1.00 13.43 C ATOM 382 C LEU A 50 26.259 -19.606 -19.531 1.00 11.51 C ATOM 383 O LEU A 50 25.804 -19.329 -20.632 1.00 13.21 O ATOM 384 CB LEU A 50 26.431 -17.885 -17.705 1.00 43.24 C ATOM 385 CG LEU A 50 26.745 -16.771 -18.704 1.00 34.31 C ATOM 386 CD1 LEU A 50 26.583 -15.406 -18.052 1.00 33.23 C ATOM 387 CD2 LEU A 50 28.154 -16.933 -19.258 1.00 2.11 C ATOM 0 H LEU A 50 25.945 -19.971 -16.388 1.00 53.32 H new ATOM 0 HA LEU A 50 24.630 -18.685 -18.491 1.00 13.43 H new ATOM 0 HB2 LEU A 50 25.881 -17.454 -16.868 1.00 43.24 H new ATOM 0 HB3 LEU A 50 27.371 -18.266 -17.306 1.00 43.24 H new ATOM 0 HG LEU A 50 26.039 -16.843 -19.531 1.00 34.31 H new ATOM 0 HD11 LEU A 50 26.811 -14.626 -18.779 1.00 33.23 H new ATOM 0 HD12 LEU A 50 25.557 -15.289 -17.704 1.00 33.23 H new ATOM 0 HD13 LEU A 50 27.265 -15.324 -17.206 1.00 33.23 H new ATOM 0 HD21 LEU A 50 28.360 -16.132 -19.967 1.00 2.11 H new ATOM 0 HD22 LEU A 50 28.874 -16.888 -18.441 1.00 2.11 H new ATOM 0 HD23 LEU A 50 28.238 -17.895 -19.763 1.00 2.11 H new ATOM 399 N PRO A 51 27.281 -20.444 -19.374 1.00 74.22 N ATOM 400 CA PRO A 51 27.946 -21.096 -20.495 1.00 45.14 C ATOM 401 C PRO A 51 26.979 -22.051 -21.186 1.00 70.34 C ATOM 402 O PRO A 51 27.112 -22.355 -22.372 1.00 4.53 O ATOM 403 CB PRO A 51 29.100 -21.882 -19.851 1.00 61.44 C ATOM 404 CG PRO A 51 29.143 -21.466 -18.415 1.00 51.01 C ATOM 405 CD PRO A 51 27.802 -20.869 -18.085 1.00 13.10 C ATOM 0 HA PRO A 51 28.294 -20.389 -21.248 1.00 45.14 H new ATOM 0 HB2 PRO A 51 28.936 -22.956 -19.940 1.00 61.44 H new ATOM 0 HB3 PRO A 51 30.045 -21.662 -20.348 1.00 61.44 H new ATOM 0 HG2 PRO A 51 29.352 -22.321 -17.773 1.00 51.01 H new ATOM 0 HG3 PRO A 51 29.939 -20.740 -18.248 1.00 51.01 H new ATOM 0 HD2 PRO A 51 27.146 -21.598 -17.610 1.00 13.10 H new ATOM 0 HD3 PRO A 51 27.897 -20.030 -17.396 1.00 13.10 H new ATOM 413 N VAL A 52 26.000 -22.511 -20.410 1.00 12.30 N ATOM 414 CA VAL A 52 24.977 -23.429 -20.889 1.00 24.44 C ATOM 415 C VAL A 52 23.733 -22.678 -21.350 1.00 51.21 C ATOM 416 O VAL A 52 22.870 -23.248 -22.011 1.00 25.13 O ATOM 417 CB VAL A 52 24.601 -24.438 -19.783 1.00 0.20 C ATOM 418 CG1 VAL A 52 23.382 -25.257 -20.166 1.00 33.40 C ATOM 419 CG2 VAL A 52 25.782 -25.344 -19.466 1.00 60.51 C ATOM 0 H VAL A 52 25.896 -22.255 -19.428 1.00 12.30 H new ATOM 0 HA VAL A 52 25.387 -23.969 -21.743 1.00 24.44 H new ATOM 0 HB VAL A 52 24.346 -23.871 -18.887 1.00 0.20 H new ATOM 0 HG11 VAL A 52 23.147 -25.956 -19.364 1.00 33.40 H new ATOM 0 HG12 VAL A 52 22.533 -24.592 -20.328 1.00 33.40 H new ATOM 0 HG13 VAL A 52 23.589 -25.811 -21.081 1.00 33.40 H new ATOM 0 HG21 VAL A 52 25.500 -26.049 -18.684 1.00 60.51 H new ATOM 0 HG22 VAL A 52 26.071 -25.892 -20.363 1.00 60.51 H new ATOM 0 HG23 VAL A 52 26.622 -24.740 -19.124 1.00 60.51 H new ATOM 429 N VAL A 53 23.665 -21.398 -21.012 1.00 51.22 N ATOM 430 CA VAL A 53 22.553 -20.550 -21.409 1.00 32.31 C ATOM 431 C VAL A 53 22.998 -19.668 -22.567 1.00 2.02 C ATOM 432 O VAL A 53 22.201 -19.279 -23.421 1.00 64.32 O ATOM 433 CB VAL A 53 22.068 -19.667 -20.241 1.00 2.02 C ATOM 434 CG1 VAL A 53 20.911 -18.780 -20.679 1.00 2.14 C ATOM 435 CG2 VAL A 53 21.667 -20.528 -19.052 1.00 63.51 C ATOM 0 H VAL A 53 24.376 -20.921 -20.458 1.00 51.22 H new ATOM 0 HA VAL A 53 21.721 -21.187 -21.711 1.00 32.31 H new ATOM 0 HB VAL A 53 22.891 -19.022 -19.935 1.00 2.02 H new ATOM 0 HG11 VAL A 53 20.585 -18.166 -19.839 1.00 2.14 H new ATOM 0 HG12 VAL A 53 21.236 -18.135 -21.496 1.00 2.14 H new ATOM 0 HG13 VAL A 53 20.082 -19.403 -21.016 1.00 2.14 H new ATOM 0 HG21 VAL A 53 21.328 -19.888 -18.237 1.00 63.51 H new ATOM 0 HG22 VAL A 53 20.861 -21.201 -19.345 1.00 63.51 H new ATOM 0 HG23 VAL A 53 22.525 -21.113 -18.720 1.00 63.51 H new ATOM 445 N VAL A 54 24.296 -19.379 -22.588 1.00 62.42 N ATOM 446 CA VAL A 54 24.895 -18.570 -23.630 1.00 64.45 C ATOM 447 C VAL A 54 25.190 -19.414 -24.849 1.00 23.12 C ATOM 448 O VAL A 54 24.963 -18.993 -25.973 1.00 14.33 O ATOM 449 CB VAL A 54 26.205 -17.911 -23.156 1.00 24.21 C ATOM 450 CG1 VAL A 54 25.988 -17.107 -21.881 1.00 12.22 C ATOM 451 CG2 VAL A 54 27.295 -18.956 -22.946 1.00 72.43 C ATOM 0 H VAL A 54 24.957 -19.702 -21.881 1.00 62.42 H new ATOM 0 HA VAL A 54 24.178 -17.788 -23.880 1.00 64.45 H new ATOM 0 HB VAL A 54 26.530 -17.225 -23.938 1.00 24.21 H new ATOM 0 HG11 VAL A 54 26.930 -16.654 -21.572 1.00 12.22 H new ATOM 0 HG12 VAL A 54 25.252 -16.324 -22.065 1.00 12.22 H new ATOM 0 HG13 VAL A 54 25.626 -17.766 -21.092 1.00 12.22 H new ATOM 0 HG21 VAL A 54 28.209 -18.466 -22.612 1.00 72.43 H new ATOM 0 HG22 VAL A 54 26.971 -19.673 -22.192 1.00 72.43 H new ATOM 0 HG23 VAL A 54 27.485 -19.477 -23.884 1.00 72.43 H new ATOM 461 N GLY A 55 25.698 -20.613 -24.610 1.00 5.41 N ATOM 462 CA GLY A 55 26.016 -21.508 -25.703 1.00 21.13 C ATOM 463 C GLY A 55 24.910 -21.570 -26.726 1.00 0.44 C ATOM 464 O GLY A 55 25.159 -21.786 -27.904 1.00 42.41 O ATOM 0 H GLY A 55 25.896 -20.982 -23.680 1.00 5.41 H new ATOM 0 HA2 GLY A 55 26.937 -21.178 -26.185 1.00 21.13 H new ATOM 0 HA3 GLY A 55 26.202 -22.508 -25.310 1.00 21.13 H new ATOM 468 N ILE A 56 23.683 -21.357 -26.274 1.00 21.44 N ATOM 469 CA ILE A 56 22.536 -21.370 -27.181 1.00 54.35 C ATOM 470 C ILE A 56 22.357 -19.994 -27.800 1.00 63.44 C ATOM 471 O ILE A 56 22.023 -19.864 -28.977 1.00 54.22 O ATOM 472 CB ILE A 56 21.228 -21.776 -26.472 1.00 75.44 C ATOM 473 CG1 ILE A 56 21.509 -22.763 -25.344 1.00 54.33 C ATOM 474 CG2 ILE A 56 20.246 -22.371 -27.471 1.00 61.54 C ATOM 475 CD1 ILE A 56 21.620 -22.098 -23.994 1.00 33.24 C ATOM 0 H ILE A 56 23.453 -21.175 -25.297 1.00 21.44 H new ATOM 0 HA ILE A 56 22.744 -22.114 -27.950 1.00 54.35 H new ATOM 0 HB ILE A 56 20.781 -20.882 -26.038 1.00 75.44 H new ATOM 0 HG12 ILE A 56 20.713 -23.507 -25.312 1.00 54.33 H new ATOM 0 HG13 ILE A 56 22.435 -23.297 -25.558 1.00 54.33 H new ATOM 0 HG21 ILE A 56 19.328 -22.653 -26.955 1.00 61.54 H new ATOM 0 HG22 ILE A 56 20.018 -21.634 -28.241 1.00 61.54 H new ATOM 0 HG23 ILE A 56 20.688 -23.254 -27.934 1.00 61.54 H new ATOM 0 HD11 ILE A 56 21.820 -22.852 -23.233 1.00 33.24 H new ATOM 0 HD12 ILE A 56 22.435 -21.374 -24.011 1.00 33.24 H new ATOM 0 HD13 ILE A 56 20.685 -21.587 -23.762 1.00 33.24 H new ATOM 487 N LYS A 57 22.610 -18.967 -27.000 1.00 61.03 N ATOM 488 CA LYS A 57 22.510 -17.597 -27.469 1.00 5.41 C ATOM 489 C LYS A 57 23.753 -17.246 -28.282 1.00 20.32 C ATOM 490 O LYS A 57 23.746 -16.326 -29.098 1.00 43.20 O ATOM 491 CB LYS A 57 22.356 -16.634 -26.290 1.00 44.45 C ATOM 492 CG LYS A 57 20.923 -16.185 -26.056 1.00 43.54 C ATOM 493 CD LYS A 57 20.834 -15.168 -24.930 1.00 72.10 C ATOM 494 CE LYS A 57 20.348 -15.804 -23.638 1.00 74.31 C ATOM 495 NZ LYS A 57 19.356 -14.946 -22.934 1.00 34.53 N ATOM 0 H LYS A 57 22.886 -19.060 -26.022 1.00 61.03 H new ATOM 0 HA LYS A 57 21.627 -17.502 -28.102 1.00 5.41 H new ATOM 0 HB2 LYS A 57 22.729 -17.116 -25.386 1.00 44.45 H new ATOM 0 HB3 LYS A 57 22.979 -15.757 -26.464 1.00 44.45 H new ATOM 0 HG2 LYS A 57 20.523 -15.751 -26.972 1.00 43.54 H new ATOM 0 HG3 LYS A 57 20.304 -17.050 -25.816 1.00 43.54 H new ATOM 0 HD2 LYS A 57 21.813 -14.717 -24.768 1.00 72.10 H new ATOM 0 HD3 LYS A 57 20.156 -14.364 -25.218 1.00 72.10 H new ATOM 0 HE2 LYS A 57 19.899 -16.773 -23.857 1.00 74.31 H new ATOM 0 HE3 LYS A 57 21.199 -15.988 -22.982 1.00 74.31 H new ATOM 0 HZ1 LYS A 57 19.050 -15.416 -22.058 1.00 34.53 H new ATOM 0 HZ2 LYS A 57 19.792 -14.031 -22.702 1.00 34.53 H new ATOM 0 HZ3 LYS A 57 18.532 -14.791 -23.550 1.00 34.53 H new ATOM 509 N ALA A 58 24.826 -17.997 -28.055 1.00 24.23 N ATOM 510 CA ALA A 58 26.072 -17.778 -28.768 1.00 73.31 C ATOM 511 C ALA A 58 26.095 -18.557 -30.080 1.00 13.51 C ATOM 512 O ALA A 58 26.853 -18.232 -30.995 1.00 14.44 O ATOM 513 CB ALA A 58 27.254 -18.158 -27.888 1.00 72.23 C ATOM 0 H ALA A 58 24.854 -18.762 -27.381 1.00 24.23 H new ATOM 0 HA ALA A 58 26.149 -16.718 -29.012 1.00 73.31 H new ATOM 0 HB1 ALA A 58 28.183 -17.990 -28.433 1.00 72.23 H new ATOM 0 HB2 ALA A 58 27.247 -17.547 -26.986 1.00 72.23 H new ATOM 0 HB3 ALA A 58 27.180 -19.210 -27.614 1.00 72.23 H new ATOM 519 N ILE A 59 25.268 -19.595 -30.157 1.00 12.53 N ATOM 520 CA ILE A 59 25.195 -20.435 -31.347 1.00 21.22 C ATOM 521 C ILE A 59 24.036 -20.045 -32.246 1.00 51.43 C ATOM 522 O ILE A 59 24.180 -19.961 -33.465 1.00 11.02 O ATOM 523 CB ILE A 59 25.055 -21.915 -30.960 1.00 53.04 C ATOM 524 CG1 ILE A 59 23.769 -22.165 -30.170 1.00 74.03 C ATOM 525 CG2 ILE A 59 26.260 -22.335 -30.153 1.00 54.31 C ATOM 526 CD1 ILE A 59 22.584 -22.524 -31.040 1.00 43.40 C ATOM 0 H ILE A 59 24.637 -19.875 -29.406 1.00 12.53 H new ATOM 0 HA ILE A 59 26.124 -20.284 -31.896 1.00 21.22 H new ATOM 0 HB ILE A 59 25.000 -22.510 -31.871 1.00 53.04 H new ATOM 0 HG12 ILE A 59 23.942 -22.970 -29.456 1.00 74.03 H new ATOM 0 HG13 ILE A 59 23.528 -21.273 -29.592 1.00 74.03 H new ATOM 0 HG21 ILE A 59 26.165 -23.385 -29.876 1.00 54.31 H new ATOM 0 HG22 ILE A 59 27.163 -22.197 -30.748 1.00 54.31 H new ATOM 0 HG23 ILE A 59 26.324 -21.726 -29.251 1.00 54.31 H new ATOM 0 HD11 ILE A 59 21.708 -22.687 -30.412 1.00 43.40 H new ATOM 0 HD12 ILE A 59 22.385 -21.710 -31.737 1.00 43.40 H new ATOM 0 HD13 ILE A 59 22.805 -23.434 -31.598 1.00 43.40 H new ATOM 538 N GLY A 60 22.893 -19.806 -31.634 1.00 71.42 N ATOM 539 CA GLY A 60 21.718 -19.422 -32.385 1.00 32.13 C ATOM 540 C GLY A 60 21.144 -18.113 -31.896 1.00 41.32 C ATOM 541 O GLY A 60 20.146 -17.628 -32.428 1.00 14.12 O ATOM 0 H GLY A 60 22.755 -19.871 -30.626 1.00 71.42 H new ATOM 0 HA2 GLY A 60 21.974 -19.335 -33.441 1.00 32.13 H new ATOM 0 HA3 GLY A 60 20.963 -20.204 -32.303 1.00 32.13 H new ATOM 545 N LYS A 61 21.781 -17.537 -30.878 1.00 5.50 N ATOM 546 CA LYS A 61 21.322 -16.265 -30.315 1.00 13.43 C ATOM 547 C LYS A 61 19.809 -16.268 -30.096 1.00 61.41 C ATOM 548 O LYS A 61 19.374 -16.655 -28.992 1.00 10.53 O ATOM 549 CB LYS A 61 21.716 -15.107 -31.236 1.00 31.40 C ATOM 550 CG LYS A 61 22.388 -13.954 -30.507 1.00 31.41 C ATOM 551 CD LYS A 61 22.141 -12.629 -31.212 1.00 51.20 C ATOM 552 CE LYS A 61 21.048 -11.827 -30.524 1.00 71.14 C ATOM 553 NZ LYS A 61 21.608 -10.793 -29.611 1.00 31.02 N ATOM 554 OXT LYS A 61 19.075 -15.884 -31.031 1.00 37.36 O ATOM 0 H LYS A 61 22.610 -17.926 -30.428 1.00 5.50 H new ATOM 0 HA LYS A 61 21.804 -16.134 -29.346 1.00 13.43 H new ATOM 0 HB2 LYS A 61 22.389 -15.480 -32.008 1.00 31.40 H new ATOM 0 HB3 LYS A 61 20.825 -14.736 -31.742 1.00 31.40 H new ATOM 0 HG2 LYS A 61 22.012 -13.899 -29.485 1.00 31.41 H new ATOM 0 HG3 LYS A 61 23.460 -14.139 -30.442 1.00 31.41 H new ATOM 0 HD2 LYS A 61 23.063 -12.048 -31.230 1.00 51.20 H new ATOM 0 HD3 LYS A 61 21.860 -12.814 -32.249 1.00 51.20 H new ATOM 0 HE2 LYS A 61 20.422 -11.346 -31.276 1.00 71.14 H new ATOM 0 HE3 LYS A 61 20.405 -12.501 -29.958 1.00 71.14 H new ATOM 0 HZ1 LYS A 61 20.830 -10.269 -29.162 1.00 31.02 H new ATOM 0 HZ2 LYS A 61 22.184 -11.253 -28.878 1.00 31.02 H new ATOM 0 HZ3 LYS A 61 22.201 -10.134 -30.155 1.00 31.02 H new