USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 384 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 6 HIS : no HD1:sc= 0.39 K(o=1.1,f=-0.49) USER MOD Set 1.2: A 13 THR OG1 : rot -70:sc= 0.705 USER MOD Single : A 1 ARG N :NH3+ -142:sc= -0.0179! (180deg=-3.89!) USER MOD Single : A 4 TYR OH : rot 124:sc= 1.19 USER MOD Single : A 5 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.27) USER MOD Single : A 9 THR OG1 : rot 1:sc= 0.365 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 41:sc= 0.968 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 177:sc= 1.01! (180deg=0.968!) USER MOD Single : A 25 ASN : amide:sc= -1.67! C(o=-1.7!,f=-5.7!) USER MOD Single : A 28 THR OG1 : rot -26:sc= 0.774 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 50 TYR OH : rot 165:sc= 0 USER MOD Single : A 54 SER OG : rot 25:sc= 0.781 USER MOD Single : A 56 LYS NZ :NH3+ -146:sc= -0.784! (180deg=-5.61!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 40.864 25.519 67.493 1.00 0.00 N ATOM 2 CA ARG A 1 39.628 25.069 66.700 1.00 0.00 C ATOM 3 C ARG A 1 39.794 25.499 65.208 1.00 0.00 C ATOM 4 O ARG A 1 40.839 26.026 64.835 1.00 0.00 O ATOM 5 CB ARG A 1 38.370 25.665 67.331 1.00 0.00 C ATOM 6 CG ARG A 1 37.919 24.932 68.606 1.00 0.00 C ATOM 7 CD ARG A 1 36.682 25.614 69.192 1.00 0.00 C ATOM 8 NE ARG A 1 36.393 25.390 70.632 1.00 0.00 N ATOM 9 CZ ARG A 1 37.016 26.014 71.626 1.00 0.00 C ATOM 10 NH1 ARG A 1 38.172 26.605 71.461 1.00 0.00 N ATOM 11 NH2 ARG A 1 36.450 26.034 72.807 1.00 0.00 N ATOM 0 H1 ARG A 1 41.111 24.791 68.194 1.00 0.00 H new ATOM 0 H2 ARG A 1 41.663 25.658 66.842 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.656 26.413 67.982 1.00 0.00 H new ATOM 0 HA ARG A 1 39.528 23.984 66.730 1.00 0.00 H new ATOM 0 HB2 ARG A 1 38.554 26.713 67.569 1.00 0.00 H new ATOM 0 HB3 ARG A 1 37.560 25.641 66.602 1.00 0.00 H new ATOM 0 HG2 ARG A 1 37.696 23.890 68.377 1.00 0.00 H new ATOM 0 HG3 ARG A 1 38.725 24.931 69.339 1.00 0.00 H new ATOM 0 HD2 ARG A 1 36.782 26.688 69.032 1.00 0.00 H new ATOM 0 HD3 ARG A 1 35.814 25.286 68.620 1.00 0.00 H new ATOM 0 HE ARG A 1 35.669 24.713 70.873 1.00 0.00 H new ATOM 0 HH11 ARG A 1 38.623 26.596 70.546 1.00 0.00 H new ATOM 0 HH12 ARG A 1 38.621 27.075 72.247 1.00 0.00 H new ATOM 0 HH21 ARG A 1 35.549 25.577 72.949 1.00 0.00 H new ATOM 0 HH22 ARG A 1 36.910 26.507 73.585 1.00 0.00 H new ATOM 27 N ILE A 2 38.739 25.208 64.351 1.00 0.00 N ATOM 28 CA ILE A 2 38.854 25.418 62.889 1.00 0.00 C ATOM 29 C ILE A 2 38.267 26.835 62.522 1.00 0.00 C ATOM 30 O ILE A 2 37.091 27.137 62.729 1.00 0.00 O ATOM 31 CB ILE A 2 38.167 24.369 61.970 1.00 0.00 C ATOM 32 CG1 ILE A 2 38.595 22.883 62.124 1.00 0.00 C ATOM 33 CG2 ILE A 2 38.411 24.733 60.484 1.00 0.00 C ATOM 34 CD1 ILE A 2 38.481 22.186 63.488 1.00 0.00 C ATOM 0 H ILE A 2 37.838 24.841 64.657 1.00 0.00 H new ATOM 0 HA ILE A 2 39.922 25.320 62.694 1.00 0.00 H new ATOM 0 HB ILE A 2 37.126 24.424 62.290 1.00 0.00 H new ATOM 0 HG12 ILE A 2 38.008 22.302 61.413 1.00 0.00 H new ATOM 0 HG13 ILE A 2 39.636 22.812 61.810 1.00 0.00 H new ATOM 0 HG21 ILE A 2 37.927 23.995 59.844 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.995 25.719 60.278 1.00 0.00 H new ATOM 0 HG23 ILE A 2 39.482 24.741 60.283 1.00 0.00 H new ATOM 0 HD11 ILE A 2 38.825 21.156 63.400 1.00 0.00 H new ATOM 0 HD12 ILE A 2 39.095 22.713 64.218 1.00 0.00 H new ATOM 0 HD13 ILE A 2 37.441 22.194 63.815 1.00 0.00 H new ATOM 46 N CYS A 3 39.144 27.716 61.901 1.00 0.00 N ATOM 47 CA CYS A 3 38.741 29.049 61.416 1.00 0.00 C ATOM 48 C CYS A 3 39.506 29.284 60.036 1.00 0.00 C ATOM 49 O CYS A 3 40.645 28.842 59.898 1.00 0.00 O ATOM 50 CB CYS A 3 38.973 30.160 62.466 1.00 0.00 C ATOM 51 SG CYS A 3 38.666 29.512 64.159 1.00 0.00 S ATOM 0 H CYS A 3 40.128 27.501 61.738 1.00 0.00 H new ATOM 0 HA CYS A 3 37.665 29.094 61.246 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.995 30.533 62.392 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.311 31.003 62.266 1.00 0.00 H new ATOM 56 N TYR A 4 38.893 29.963 58.971 1.00 0.00 N ATOM 57 CA TYR A 4 39.449 29.769 57.606 1.00 0.00 C ATOM 58 C TYR A 4 40.521 30.815 57.135 1.00 0.00 C ATOM 59 O TYR A 4 40.426 31.996 57.452 1.00 0.00 O ATOM 60 CB TYR A 4 38.325 29.896 56.541 1.00 0.00 C ATOM 61 CG TYR A 4 36.936 29.492 57.001 1.00 0.00 C ATOM 62 CD1 TYR A 4 36.649 28.316 57.693 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.891 30.394 56.798 1.00 0.00 C ATOM 64 CE1 TYR A 4 35.391 28.080 58.227 1.00 0.00 C ATOM 65 CE2 TYR A 4 34.632 30.181 57.326 1.00 0.00 C ATOM 66 CZ TYR A 4 34.374 29.031 58.077 1.00 0.00 C ATOM 67 OH TYR A 4 33.159 28.846 58.686 1.00 0.00 O ATOM 0 H TYR A 4 38.090 30.587 59.044 1.00 0.00 H new ATOM 0 HA TYR A 4 39.913 28.786 57.681 1.00 0.00 H new ATOM 0 HB2 TYR A 4 38.288 30.930 56.199 1.00 0.00 H new ATOM 0 HB3 TYR A 4 38.595 29.285 55.680 1.00 0.00 H new ATOM 0 HD1 TYR A 4 37.423 27.573 57.816 1.00 0.00 H new ATOM 0 HD2 TYR A 4 36.071 31.283 56.212 1.00 0.00 H new ATOM 0 HE1 TYR A 4 35.195 27.161 58.760 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.847 30.904 57.158 1.00 0.00 H new ATOM 0 HH TYR A 4 32.959 29.617 59.257 1.00 0.00 H new ATOM 77 N ASN A 5 41.480 30.359 56.235 1.00 0.00 N ATOM 78 CA ASN A 5 42.519 31.242 55.650 1.00 0.00 C ATOM 79 C ASN A 5 42.347 31.283 54.095 1.00 0.00 C ATOM 80 O ASN A 5 43.266 31.645 53.362 1.00 0.00 O ATOM 81 CB ASN A 5 43.923 30.782 56.056 1.00 0.00 C ATOM 82 CG ASN A 5 44.997 31.805 55.691 1.00 0.00 C ATOM 83 OD1 ASN A 5 44.936 32.980 56.007 1.00 0.00 O ATOM 84 ND2 ASN A 5 46.051 31.298 55.013 1.00 0.00 N ATOM 0 H ASN A 5 41.535 29.391 55.917 1.00 0.00 H new ATOM 0 HA ASN A 5 42.396 32.253 56.039 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.947 30.601 57.131 1.00 0.00 H new ATOM 0 HB3 ASN A 5 44.147 29.833 55.568 1.00 0.00 H new ATOM 0 HD21 ASN A 5 46.828 31.905 54.750 1.00 0.00 H new ATOM 0 HD22 ASN A 5 46.069 30.309 54.764 1.00 0.00 H new ATOM 91 N HIS A 6 41.112 30.929 53.586 1.00 0.00 N ATOM 92 CA HIS A 6 40.747 30.863 52.187 1.00 0.00 C ATOM 93 C HIS A 6 40.493 32.296 51.613 1.00 0.00 C ATOM 94 O HIS A 6 40.956 33.302 52.145 1.00 0.00 O ATOM 95 CB HIS A 6 41.534 29.826 51.293 1.00 0.00 C ATOM 96 CG HIS A 6 42.789 30.247 50.607 1.00 0.00 C ATOM 97 ND1 HIS A 6 43.763 29.311 50.203 1.00 0.00 N ATOM 98 CD2 HIS A 6 43.294 31.438 50.179 1.00 0.00 C ATOM 99 CE1 HIS A 6 44.800 29.890 49.605 1.00 0.00 C ATOM 100 NE2 HIS A 6 44.520 31.201 49.576 1.00 0.00 N ATOM 0 H HIS A 6 40.336 30.678 54.198 1.00 0.00 H new ATOM 0 HA HIS A 6 39.781 30.362 52.132 1.00 0.00 H new ATOM 0 HB2 HIS A 6 41.778 28.971 51.924 1.00 0.00 H new ATOM 0 HB3 HIS A 6 40.847 29.470 50.526 1.00 0.00 H new ATOM 0 HD2 HIS A 6 42.820 32.402 50.290 1.00 0.00 H new ATOM 0 HE1 HIS A 6 45.685 29.404 49.222 1.00 0.00 H new ATOM 0 HE2 HIS A 6 45.121 31.919 49.170 1.00 0.00 H new ATOM 109 N LEU A 7 39.636 32.375 50.535 1.00 0.00 N ATOM 110 CA LEU A 7 39.195 33.645 50.005 1.00 0.00 C ATOM 111 C LEU A 7 40.381 34.421 49.339 1.00 0.00 C ATOM 112 O LEU A 7 41.397 33.849 48.944 1.00 0.00 O ATOM 113 CB LEU A 7 38.274 34.405 50.981 1.00 0.00 C ATOM 114 CG LEU A 7 37.050 33.641 51.566 1.00 0.00 C ATOM 115 CD1 LEU A 7 37.402 32.689 52.728 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.988 34.649 52.042 1.00 0.00 C ATOM 0 H LEU A 7 39.261 31.562 50.046 1.00 0.00 H new ATOM 0 HA LEU A 7 38.516 33.485 49.167 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.883 34.751 51.816 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.902 35.292 50.469 1.00 0.00 H new ATOM 0 HG LEU A 7 36.668 33.018 50.757 1.00 0.00 H new ATOM 0 HD11 LEU A 7 36.497 32.195 53.080 1.00 0.00 H new ATOM 0 HD12 LEU A 7 38.113 31.939 52.381 1.00 0.00 H new ATOM 0 HD13 LEU A 7 37.845 33.260 53.544 1.00 0.00 H new ATOM 0 HD21 LEU A 7 35.133 34.111 52.451 1.00 0.00 H new ATOM 0 HD22 LEU A 7 36.415 35.291 52.813 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.663 35.260 51.200 1.00 0.00 H new ATOM 128 N GLY A 8 40.139 35.754 49.072 1.00 0.00 N ATOM 129 CA GLY A 8 41.021 36.533 48.189 1.00 0.00 C ATOM 130 C GLY A 8 40.449 36.354 46.773 1.00 0.00 C ATOM 131 O GLY A 8 40.083 37.301 46.088 1.00 0.00 O ATOM 0 H GLY A 8 39.354 36.280 49.456 1.00 0.00 H new ATOM 0 HA2 GLY A 8 41.035 37.584 48.477 1.00 0.00 H new ATOM 0 HA3 GLY A 8 42.049 36.174 48.245 1.00 0.00 H new ATOM 135 N THR A 9 40.414 35.039 46.352 1.00 0.00 N ATOM 136 CA THR A 9 39.741 34.591 45.138 1.00 0.00 C ATOM 137 C THR A 9 39.373 33.087 45.335 1.00 0.00 C ATOM 138 O THR A 9 38.307 32.649 44.909 1.00 0.00 O ATOM 139 CB THR A 9 40.550 34.718 43.816 1.00 0.00 C ATOM 140 OG1 THR A 9 40.933 36.067 43.534 1.00 0.00 O ATOM 141 CG2 THR A 9 39.761 34.265 42.579 1.00 0.00 C ATOM 0 H THR A 9 40.862 34.282 46.868 1.00 0.00 H new ATOM 0 HA THR A 9 38.883 35.252 45.013 1.00 0.00 H new ATOM 0 HB THR A 9 41.416 34.078 43.988 1.00 0.00 H new ATOM 0 HG1 THR A 9 40.615 36.654 44.251 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.381 34.379 41.690 1.00 0.00 H new ATOM 0 HG22 THR A 9 39.477 33.219 42.692 1.00 0.00 H new ATOM 0 HG23 THR A 9 38.864 34.876 42.476 1.00 0.00 H new ATOM 149 N LYS A 10 40.290 32.289 46.005 1.00 0.00 N ATOM 150 CA LYS A 10 40.177 30.816 46.143 1.00 0.00 C ATOM 151 C LYS A 10 39.614 30.464 47.585 1.00 0.00 C ATOM 152 O LYS A 10 40.381 30.548 48.538 1.00 0.00 O ATOM 153 CB LYS A 10 41.594 30.196 46.026 1.00 0.00 C ATOM 154 CG LYS A 10 42.359 30.378 44.696 1.00 0.00 C ATOM 155 CD LYS A 10 41.907 29.536 43.482 1.00 0.00 C ATOM 156 CE LYS A 10 42.793 29.917 42.283 1.00 0.00 C ATOM 157 NZ LYS A 10 42.369 29.294 40.953 1.00 0.00 N ATOM 0 H LYS A 10 41.121 32.670 46.457 1.00 0.00 H new ATOM 0 HA LYS A 10 39.514 30.428 45.370 1.00 0.00 H new ATOM 0 HB2 LYS A 10 42.208 30.614 46.824 1.00 0.00 H new ATOM 0 HB3 LYS A 10 41.507 29.126 46.217 1.00 0.00 H new ATOM 0 HG2 LYS A 10 42.297 31.429 44.416 1.00 0.00 H new ATOM 0 HG3 LYS A 10 43.410 30.159 44.882 1.00 0.00 H new ATOM 0 HD2 LYS A 10 41.999 28.472 43.701 1.00 0.00 H new ATOM 0 HD3 LYS A 10 40.858 29.726 43.256 1.00 0.00 H new ATOM 0 HE2 LYS A 10 42.791 31.002 42.178 1.00 0.00 H new ATOM 0 HE3 LYS A 10 43.819 29.619 42.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 43.019 29.603 40.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 42.398 28.257 41.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 41.402 29.597 40.720 1.00 0.00 H new ATOM 171 N PRO A 11 38.327 29.943 47.767 1.00 0.00 N ATOM 172 CA PRO A 11 37.797 29.606 49.115 1.00 0.00 C ATOM 173 C PRO A 11 38.137 28.178 49.739 1.00 0.00 C ATOM 174 O PRO A 11 37.687 27.986 50.870 1.00 0.00 O ATOM 175 CB PRO A 11 36.274 29.873 49.027 1.00 0.00 C ATOM 176 CG PRO A 11 35.955 29.660 47.541 1.00 0.00 C ATOM 177 CD PRO A 11 37.216 30.186 46.843 1.00 0.00 C ATOM 0 HA PRO A 11 38.320 30.233 49.838 1.00 0.00 H new ATOM 0 HB2 PRO A 11 35.710 29.188 49.660 1.00 0.00 H new ATOM 0 HB3 PRO A 11 36.025 30.884 49.350 1.00 0.00 H new ATOM 0 HG2 PRO A 11 35.775 28.610 47.313 1.00 0.00 H new ATOM 0 HG3 PRO A 11 35.065 30.210 47.236 1.00 0.00 H new ATOM 0 HD2 PRO A 11 37.379 29.673 45.895 1.00 0.00 H new ATOM 0 HD3 PRO A 11 37.122 31.248 46.618 1.00 0.00 H new ATOM 185 N PRO A 12 39.033 27.251 49.185 1.00 0.00 N ATOM 186 CA PRO A 12 39.185 25.916 49.808 1.00 0.00 C ATOM 187 C PRO A 12 40.028 25.624 51.096 1.00 0.00 C ATOM 188 O PRO A 12 39.711 24.593 51.697 1.00 0.00 O ATOM 189 CB PRO A 12 39.867 25.072 48.711 1.00 0.00 C ATOM 190 CG PRO A 12 39.217 25.601 47.436 1.00 0.00 C ATOM 191 CD PRO A 12 39.147 27.099 47.730 1.00 0.00 C ATOM 0 HA PRO A 12 38.173 25.722 50.165 1.00 0.00 H new ATOM 0 HB2 PRO A 12 40.948 25.213 48.704 1.00 0.00 H new ATOM 0 HB3 PRO A 12 39.685 24.006 48.847 1.00 0.00 H new ATOM 0 HG2 PRO A 12 39.814 25.384 46.550 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.230 25.169 47.269 1.00 0.00 H new ATOM 0 HD2 PRO A 12 40.038 27.606 47.359 1.00 0.00 H new ATOM 0 HD3 PRO A 12 38.291 27.550 47.228 1.00 0.00 H new ATOM 199 N THR A 13 41.104 26.393 51.536 1.00 0.00 N ATOM 200 CA THR A 13 41.881 25.949 52.716 1.00 0.00 C ATOM 201 C THR A 13 41.431 26.641 54.038 1.00 0.00 C ATOM 202 O THR A 13 41.221 27.848 54.150 1.00 0.00 O ATOM 203 CB THR A 13 43.428 26.072 52.624 1.00 0.00 C ATOM 204 OG1 THR A 13 43.927 27.399 52.477 1.00 0.00 O ATOM 205 CG2 THR A 13 44.028 25.196 51.513 1.00 0.00 C ATOM 0 H THR A 13 41.417 27.263 51.106 1.00 0.00 H new ATOM 0 HA THR A 13 41.646 24.885 52.726 1.00 0.00 H new ATOM 0 HB THR A 13 43.752 25.713 53.601 1.00 0.00 H new ATOM 0 HG1 THR A 13 43.707 27.734 51.583 1.00 0.00 H new ATOM 0 HG21 THR A 13 45.111 25.322 51.495 1.00 0.00 H new ATOM 0 HG22 THR A 13 43.787 24.150 51.704 1.00 0.00 H new ATOM 0 HG23 THR A 13 43.612 25.494 50.550 1.00 0.00 H new ATOM 213 N THR A 14 41.385 25.787 55.121 1.00 0.00 N ATOM 214 CA THR A 14 40.971 26.216 56.454 1.00 0.00 C ATOM 215 C THR A 14 42.075 25.859 57.490 1.00 0.00 C ATOM 216 O THR A 14 42.770 24.850 57.370 1.00 0.00 O ATOM 217 CB THR A 14 39.625 25.596 56.849 1.00 0.00 C ATOM 218 OG1 THR A 14 39.609 24.169 56.963 1.00 0.00 O ATOM 219 CG2 THR A 14 38.527 25.964 55.830 1.00 0.00 C ATOM 0 H THR A 14 41.636 24.800 55.066 1.00 0.00 H new ATOM 0 HA THR A 14 40.836 27.298 56.441 1.00 0.00 H new ATOM 0 HB THR A 14 39.442 26.014 57.839 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.711 23.871 57.219 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.583 25.512 56.133 1.00 0.00 H new ATOM 0 HG22 THR A 14 38.415 27.048 55.792 1.00 0.00 H new ATOM 0 HG23 THR A 14 38.807 25.593 54.844 1.00 0.00 H new ATOM 227 N GLU A 15 42.233 26.738 58.550 1.00 0.00 N ATOM 228 CA GLU A 15 43.302 26.517 59.537 1.00 0.00 C ATOM 229 C GLU A 15 42.682 25.578 60.618 1.00 0.00 C ATOM 230 O GLU A 15 41.967 26.017 61.519 1.00 0.00 O ATOM 231 CB GLU A 15 43.909 27.787 60.182 1.00 0.00 C ATOM 232 CG GLU A 15 44.452 28.824 59.171 1.00 0.00 C ATOM 233 CD GLU A 15 45.441 29.808 59.787 1.00 0.00 C ATOM 234 OE1 GLU A 15 45.490 30.142 60.960 1.00 0.00 O ATOM 235 OE2 GLU A 15 46.276 30.293 58.871 1.00 0.00 O ATOM 0 H GLU A 15 41.652 27.559 58.716 1.00 0.00 H new ATOM 0 HA GLU A 15 44.160 26.085 59.022 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.148 28.264 60.799 1.00 0.00 H new ATOM 0 HB3 GLU A 15 44.719 27.489 60.848 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.937 28.299 58.348 1.00 0.00 H new ATOM 0 HG3 GLU A 15 43.616 29.379 58.746 1.00 0.00 H new ATOM 243 N THR A 16 42.988 24.225 60.505 1.00 0.00 N ATOM 244 CA THR A 16 42.602 23.248 61.543 1.00 0.00 C ATOM 245 C THR A 16 43.692 23.496 62.630 1.00 0.00 C ATOM 246 O THR A 16 44.824 23.025 62.516 1.00 0.00 O ATOM 247 CB THR A 16 42.582 21.754 61.114 1.00 0.00 C ATOM 248 OG1 THR A 16 41.527 21.562 60.167 1.00 0.00 O ATOM 249 CG2 THR A 16 42.409 20.801 62.311 1.00 0.00 C ATOM 0 H THR A 16 43.490 23.821 59.714 1.00 0.00 H new ATOM 0 HA THR A 16 41.568 23.401 61.851 1.00 0.00 H new ATOM 0 HB THR A 16 43.545 21.515 60.664 1.00 0.00 H new ATOM 0 HG1 THR A 16 41.505 20.623 59.887 1.00 0.00 H new ATOM 0 HG21 THR A 16 42.401 19.770 61.957 1.00 0.00 H new ATOM 0 HG22 THR A 16 43.235 20.939 63.008 1.00 0.00 H new ATOM 0 HG23 THR A 16 41.468 21.018 62.816 1.00 0.00 H new ATOM 257 N CYS A 17 43.318 24.249 63.739 1.00 0.00 N ATOM 258 CA CYS A 17 44.364 24.774 64.633 1.00 0.00 C ATOM 259 C CYS A 17 44.166 24.419 66.139 1.00 0.00 C ATOM 260 O CYS A 17 43.068 24.329 66.683 1.00 0.00 O ATOM 261 CB CYS A 17 44.401 26.282 64.473 1.00 0.00 C ATOM 262 SG CYS A 17 45.858 27.115 65.148 1.00 0.00 S ATOM 0 H CYS A 17 42.359 24.479 63.999 1.00 0.00 H new ATOM 0 HA CYS A 17 45.302 24.301 64.341 1.00 0.00 H new ATOM 0 HB2 CYS A 17 44.332 26.517 63.411 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.514 26.700 64.950 1.00 0.00 H new ATOM 267 N GLN A 18 45.370 24.315 66.806 1.00 0.00 N ATOM 268 CA GLN A 18 45.551 23.987 68.221 1.00 0.00 C ATOM 269 C GLN A 18 45.543 25.260 69.121 1.00 0.00 C ATOM 270 O GLN A 18 45.444 25.131 70.342 1.00 0.00 O ATOM 271 CB GLN A 18 46.852 23.189 68.469 1.00 0.00 C ATOM 272 CG GLN A 18 48.163 24.008 68.357 1.00 0.00 C ATOM 273 CD GLN A 18 49.381 23.077 68.424 1.00 0.00 C ATOM 274 OE1 GLN A 18 49.585 22.200 67.605 1.00 0.00 O ATOM 275 NE2 GLN A 18 50.234 23.317 69.447 1.00 0.00 N ATOM 0 H GLN A 18 46.259 24.468 66.330 1.00 0.00 H new ATOM 0 HA GLN A 18 44.701 23.361 68.494 1.00 0.00 H new ATOM 0 HB2 GLN A 18 46.803 22.747 69.464 1.00 0.00 H new ATOM 0 HB3 GLN A 18 46.895 22.366 67.756 1.00 0.00 H new ATOM 0 HG2 GLN A 18 48.173 24.564 67.420 1.00 0.00 H new ATOM 0 HG3 GLN A 18 48.212 24.740 69.163 1.00 0.00 H new ATOM 0 HE21 GLN A 18 50.032 24.060 70.116 1.00 0.00 H new ATOM 0 HE22 GLN A 18 51.079 22.755 69.549 1.00 0.00 H new ATOM 284 N GLU A 19 45.694 26.516 68.539 1.00 0.00 N ATOM 285 CA GLU A 19 45.586 27.744 69.328 1.00 0.00 C ATOM 286 C GLU A 19 44.055 27.825 69.687 1.00 0.00 C ATOM 287 O GLU A 19 43.189 28.010 68.833 1.00 0.00 O ATOM 288 CB GLU A 19 46.049 28.989 68.548 1.00 0.00 C ATOM 289 CG GLU A 19 47.547 29.042 68.163 1.00 0.00 C ATOM 290 CD GLU A 19 48.441 29.171 69.387 1.00 0.00 C ATOM 291 OE1 GLU A 19 49.098 28.282 69.886 1.00 0.00 O ATOM 292 OE2 GLU A 19 48.441 30.419 69.858 1.00 0.00 O ATOM 0 H GLU A 19 45.885 26.666 67.548 1.00 0.00 H new ATOM 0 HA GLU A 19 46.229 27.722 70.208 1.00 0.00 H new ATOM 0 HB2 GLU A 19 45.459 29.059 67.634 1.00 0.00 H new ATOM 0 HB3 GLU A 19 45.818 29.871 69.145 1.00 0.00 H new ATOM 0 HG2 GLU A 19 47.813 28.140 67.612 1.00 0.00 H new ATOM 0 HG3 GLU A 19 47.721 29.886 67.495 1.00 0.00 H new ATOM 300 N ASP A 20 43.759 27.708 71.036 1.00 0.00 N ATOM 301 CA ASP A 20 42.455 27.626 71.697 1.00 0.00 C ATOM 302 C ASP A 20 41.474 28.841 71.460 1.00 0.00 C ATOM 303 O ASP A 20 40.349 28.834 71.972 1.00 0.00 O ATOM 304 CB ASP A 20 41.767 26.251 71.610 1.00 0.00 C ATOM 305 CG ASP A 20 41.192 25.880 70.218 1.00 0.00 C ATOM 306 OD1 ASP A 20 40.441 26.713 69.694 1.00 0.00 O ATOM 307 OD2 ASP A 20 41.506 24.778 69.760 1.00 0.00 O ATOM 0 H ASP A 20 44.514 27.668 71.721 1.00 0.00 H new ATOM 0 HA ASP A 20 42.737 27.734 72.744 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.485 25.485 71.903 1.00 0.00 H new ATOM 0 HB3 ASP A 20 40.956 26.223 72.338 1.00 0.00 H new ATOM 312 N SER A 21 41.939 29.942 70.775 1.00 0.00 N ATOM 313 CA SER A 21 41.141 31.105 70.410 1.00 0.00 C ATOM 314 C SER A 21 41.500 31.435 68.934 1.00 0.00 C ATOM 315 O SER A 21 42.634 31.264 68.483 1.00 0.00 O ATOM 316 CB SER A 21 41.386 32.367 71.273 1.00 0.00 C ATOM 317 OG SER A 21 40.798 33.584 70.820 1.00 0.00 O ATOM 0 H SER A 21 42.908 30.018 70.467 1.00 0.00 H new ATOM 0 HA SER A 21 40.093 30.849 70.568 1.00 0.00 H new ATOM 0 HB2 SER A 21 41.017 32.166 72.279 1.00 0.00 H new ATOM 0 HB3 SER A 21 42.462 32.520 71.352 1.00 0.00 H new ATOM 0 HG SER A 21 39.895 33.406 70.484 1.00 0.00 H new ATOM 323 N CYS A 22 40.469 31.923 68.153 1.00 0.00 N ATOM 324 CA CYS A 22 40.732 32.327 66.782 1.00 0.00 C ATOM 325 C CYS A 22 40.126 33.715 66.467 1.00 0.00 C ATOM 326 O CYS A 22 39.246 34.220 67.161 1.00 0.00 O ATOM 327 CB CYS A 22 40.332 31.239 65.750 1.00 0.00 C ATOM 328 SG CYS A 22 38.582 31.241 65.276 1.00 0.00 S ATOM 0 H CYS A 22 39.503 32.030 68.462 1.00 0.00 H new ATOM 0 HA CYS A 22 41.812 32.433 66.685 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.936 31.371 64.853 1.00 0.00 H new ATOM 0 HB3 CYS A 22 40.581 30.261 66.161 1.00 0.00 H new ATOM 333 N TYR A 23 40.684 34.339 65.375 1.00 0.00 N ATOM 334 CA TYR A 23 40.433 35.749 65.084 1.00 0.00 C ATOM 335 C TYR A 23 39.875 35.957 63.649 1.00 0.00 C ATOM 336 O TYR A 23 40.295 35.328 62.678 1.00 0.00 O ATOM 337 CB TYR A 23 41.745 36.562 65.330 1.00 0.00 C ATOM 338 CG TYR A 23 42.951 36.138 64.506 1.00 0.00 C ATOM 339 CD1 TYR A 23 43.113 36.474 63.163 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.990 35.436 65.113 1.00 0.00 C ATOM 341 CE1 TYR A 23 44.273 36.173 62.460 1.00 0.00 C ATOM 342 CE2 TYR A 23 45.162 35.137 64.438 1.00 0.00 C ATOM 343 CZ TYR A 23 45.330 35.518 63.097 1.00 0.00 C ATOM 344 OH TYR A 23 46.512 35.228 62.481 1.00 0.00 O ATOM 0 H TYR A 23 41.298 33.874 64.706 1.00 0.00 H new ATOM 0 HA TYR A 23 39.659 36.118 65.757 1.00 0.00 H new ATOM 0 HB2 TYR A 23 41.542 37.614 65.127 1.00 0.00 H new ATOM 0 HB3 TYR A 23 42.005 36.485 66.386 1.00 0.00 H new ATOM 0 HD1 TYR A 23 42.310 36.985 62.652 1.00 0.00 H new ATOM 0 HD2 TYR A 23 43.879 35.116 66.138 1.00 0.00 H new ATOM 0 HE1 TYR A 23 44.358 36.446 61.419 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.953 34.607 64.947 1.00 0.00 H new ATOM 0 HH TYR A 23 47.106 34.770 63.112 1.00 0.00 H new ATOM 354 N LYS A 24 38.878 36.916 63.540 1.00 0.00 N ATOM 355 CA LYS A 24 38.189 37.222 62.276 1.00 0.00 C ATOM 356 C LYS A 24 38.832 38.565 61.791 1.00 0.00 C ATOM 357 O LYS A 24 38.648 39.635 62.371 1.00 0.00 O ATOM 358 CB LYS A 24 36.660 37.336 62.446 1.00 0.00 C ATOM 359 CG LYS A 24 35.996 36.127 63.167 1.00 0.00 C ATOM 360 CD LYS A 24 34.841 35.408 62.444 1.00 0.00 C ATOM 361 CE LYS A 24 33.586 36.203 62.078 1.00 0.00 C ATOM 362 NZ LYS A 24 32.519 35.169 61.692 1.00 0.00 N ATOM 0 H LYS A 24 38.554 37.475 64.329 1.00 0.00 H new ATOM 0 HA LYS A 24 38.313 36.422 61.547 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.437 38.244 63.007 1.00 0.00 H new ATOM 0 HB3 LYS A 24 36.206 37.449 61.462 1.00 0.00 H new ATOM 0 HG2 LYS A 24 36.773 35.391 63.372 1.00 0.00 H new ATOM 0 HG3 LYS A 24 35.624 36.474 64.131 1.00 0.00 H new ATOM 0 HD2 LYS A 24 35.242 34.984 61.523 1.00 0.00 H new ATOM 0 HD3 LYS A 24 34.530 34.572 63.071 1.00 0.00 H new ATOM 0 HE2 LYS A 24 33.252 36.811 62.919 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.785 36.884 61.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 31.624 35.656 61.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.833 34.643 60.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 32.376 34.507 62.481 1.00 0.00 H new ATOM 376 N ASN A 25 39.593 38.487 60.642 1.00 0.00 N ATOM 377 CA ASN A 25 40.356 39.609 60.062 1.00 0.00 C ATOM 378 C ASN A 25 39.620 39.864 58.692 1.00 0.00 C ATOM 379 O ASN A 25 39.594 39.031 57.786 1.00 0.00 O ATOM 380 CB ASN A 25 41.822 39.244 59.935 1.00 0.00 C ATOM 381 CG ASN A 25 42.646 40.497 59.770 1.00 0.00 C ATOM 382 OD1 ASN A 25 43.032 41.179 60.698 1.00 0.00 O ATOM 383 ND2 ASN A 25 42.870 40.841 58.497 1.00 0.00 N ATOM 0 H ASN A 25 39.681 37.626 60.103 1.00 0.00 H new ATOM 0 HA ASN A 25 40.374 40.516 60.667 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.148 38.697 60.819 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.970 38.585 59.080 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.379 41.699 58.282 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.532 40.246 57.741 1.00 0.00 H new ATOM 390 N ILE A 26 38.980 41.097 58.594 1.00 0.00 N ATOM 391 CA ILE A 26 37.818 41.341 57.691 1.00 0.00 C ATOM 392 C ILE A 26 37.997 42.491 56.631 1.00 0.00 C ATOM 393 O ILE A 26 37.134 42.752 55.794 1.00 0.00 O ATOM 394 CB ILE A 26 36.536 41.582 58.542 1.00 0.00 C ATOM 395 CG1 ILE A 26 36.199 43.035 58.986 1.00 0.00 C ATOM 396 CG2 ILE A 26 36.439 40.630 59.756 1.00 0.00 C ATOM 397 CD1 ILE A 26 37.186 43.779 59.892 1.00 0.00 C ATOM 0 H ILE A 26 39.261 41.917 59.132 1.00 0.00 H new ATOM 0 HA ILE A 26 37.731 40.435 57.091 1.00 0.00 H new ATOM 0 HB ILE A 26 35.769 41.352 57.803 1.00 0.00 H new ATOM 0 HG12 ILE A 26 36.064 43.632 58.084 1.00 0.00 H new ATOM 0 HG13 ILE A 26 35.237 43.009 59.498 1.00 0.00 H new ATOM 0 HG21 ILE A 26 35.527 40.843 60.313 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.419 39.597 59.408 1.00 0.00 H new ATOM 0 HG23 ILE A 26 37.303 40.778 60.404 1.00 0.00 H new ATOM 0 HD11 ILE A 26 36.802 44.776 60.107 1.00 0.00 H new ATOM 0 HD12 ILE A 26 37.310 43.229 60.825 1.00 0.00 H new ATOM 0 HD13 ILE A 26 38.150 43.862 59.389 1.00 0.00 H new ATOM 409 N TRP A 27 39.182 43.170 56.709 1.00 0.00 N ATOM 410 CA TRP A 27 39.739 44.321 55.997 1.00 0.00 C ATOM 411 C TRP A 27 40.723 43.682 54.942 1.00 0.00 C ATOM 412 O TRP A 27 40.321 43.316 53.841 1.00 0.00 O ATOM 413 CB TRP A 27 40.424 45.353 56.993 1.00 0.00 C ATOM 414 CG TRP A 27 40.670 44.802 58.378 1.00 0.00 C ATOM 415 CD1 TRP A 27 41.134 43.487 58.630 1.00 0.00 C ATOM 416 CD2 TRP A 27 40.389 45.304 59.648 1.00 0.00 C ATOM 417 NE1 TRP A 27 41.044 43.128 59.940 1.00 0.00 N ATOM 418 CE2 TRP A 27 40.593 44.276 60.574 1.00 0.00 C ATOM 419 CE3 TRP A 27 39.848 46.524 60.133 1.00 0.00 C ATOM 420 CZ2 TRP A 27 40.286 44.343 61.893 1.00 0.00 C ATOM 421 CZ3 TRP A 27 39.536 46.634 61.481 1.00 0.00 C ATOM 422 CH2 TRP A 27 39.751 45.552 62.358 1.00 0.00 C ATOM 0 H TRP A 27 39.866 42.850 57.395 1.00 0.00 H new ATOM 0 HA TRP A 27 38.984 44.929 55.499 1.00 0.00 H new ATOM 0 HB2 TRP A 27 41.374 45.676 56.568 1.00 0.00 H new ATOM 0 HB3 TRP A 27 39.793 46.238 57.072 1.00 0.00 H new ATOM 0 HD1 TRP A 27 41.520 42.835 57.860 1.00 0.00 H new ATOM 0 HE1 TRP A 27 41.259 42.223 60.359 1.00 0.00 H new ATOM 0 HE3 TRP A 27 39.682 47.354 59.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 40.446 43.504 62.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 39.125 47.557 61.861 1.00 0.00 H new ATOM 0 HH2 TRP A 27 39.500 45.656 63.403 1.00 0.00 H new ATOM 433 N THR A 28 42.060 43.579 55.307 1.00 0.00 N ATOM 434 CA THR A 28 43.130 42.981 54.495 1.00 0.00 C ATOM 435 C THR A 28 43.564 43.916 53.304 1.00 0.00 C ATOM 436 O THR A 28 44.658 43.708 52.780 1.00 0.00 O ATOM 437 CB THR A 28 42.925 41.524 54.006 1.00 0.00 C ATOM 438 OG1 THR A 28 44.098 40.959 53.413 1.00 0.00 O ATOM 439 CG2 THR A 28 42.396 40.526 55.046 1.00 0.00 C ATOM 0 H THR A 28 42.401 43.928 56.203 1.00 0.00 H new ATOM 0 HA THR A 28 43.942 42.897 55.217 1.00 0.00 H new ATOM 0 HB THR A 28 42.142 41.660 53.260 1.00 0.00 H new ATOM 0 HG1 THR A 28 44.659 41.676 53.051 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.294 39.542 54.587 1.00 0.00 H new ATOM 0 HG22 THR A 28 43.094 40.466 55.881 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.424 40.860 55.409 1.00 0.00 H new ATOM 447 N PHE A 29 42.750 44.959 52.878 1.00 0.00 N ATOM 448 CA PHE A 29 42.988 45.903 51.759 1.00 0.00 C ATOM 449 C PHE A 29 42.418 45.338 50.428 1.00 0.00 C ATOM 450 O PHE A 29 41.869 46.119 49.649 1.00 0.00 O ATOM 451 CB PHE A 29 44.397 46.496 51.546 1.00 0.00 C ATOM 452 CG PHE A 29 44.855 47.363 52.705 1.00 0.00 C ATOM 453 CD1 PHE A 29 44.423 48.689 52.820 1.00 0.00 C ATOM 454 CD2 PHE A 29 45.757 46.887 53.660 1.00 0.00 C ATOM 455 CE1 PHE A 29 44.877 49.518 53.846 1.00 0.00 C ATOM 456 CE2 PHE A 29 46.221 47.701 54.695 1.00 0.00 C ATOM 457 CZ PHE A 29 45.786 49.027 54.791 1.00 0.00 C ATOM 0 H PHE A 29 41.866 45.155 53.348 1.00 0.00 H new ATOM 0 HA PHE A 29 42.439 46.780 52.101 1.00 0.00 H new ATOM 0 HB2 PHE A 29 45.110 45.684 51.403 1.00 0.00 H new ATOM 0 HB3 PHE A 29 44.402 47.089 50.631 1.00 0.00 H new ATOM 0 HD1 PHE A 29 43.722 49.080 52.098 1.00 0.00 H new ATOM 0 HD2 PHE A 29 46.103 45.866 53.596 1.00 0.00 H new ATOM 0 HE1 PHE A 29 44.528 50.538 53.911 1.00 0.00 H new ATOM 0 HE2 PHE A 29 46.916 47.307 55.422 1.00 0.00 H new ATOM 0 HZ PHE A 29 46.147 49.664 55.585 1.00 0.00 H new ATOM 467 N ASP A 30 42.510 43.983 50.169 1.00 0.00 N ATOM 468 CA ASP A 30 41.860 43.354 49.023 1.00 0.00 C ATOM 469 C ASP A 30 40.298 43.255 49.242 1.00 0.00 C ATOM 470 O ASP A 30 39.591 42.911 48.295 1.00 0.00 O ATOM 471 CB ASP A 30 42.492 42.006 48.629 1.00 0.00 C ATOM 472 CG ASP A 30 42.628 40.887 49.692 1.00 0.00 C ATOM 473 OD1 ASP A 30 43.091 41.219 50.790 1.00 0.00 O ATOM 474 OD2 ASP A 30 42.316 39.755 49.307 1.00 0.00 O ATOM 0 H ASP A 30 43.034 43.333 50.755 1.00 0.00 H new ATOM 0 HA ASP A 30 42.030 44.005 48.166 1.00 0.00 H new ATOM 0 HB2 ASP A 30 41.909 41.601 47.802 1.00 0.00 H new ATOM 0 HB3 ASP A 30 43.490 42.214 48.244 1.00 0.00 H new ATOM 479 N ASN A 31 39.732 43.599 50.469 1.00 0.00 N ATOM 480 CA ASN A 31 38.309 43.610 50.831 1.00 0.00 C ATOM 481 C ASN A 31 37.894 42.124 51.016 1.00 0.00 C ATOM 482 O ASN A 31 37.231 41.544 50.157 1.00 0.00 O ATOM 483 CB ASN A 31 37.366 44.416 49.920 1.00 0.00 C ATOM 484 CG ASN A 31 36.044 44.668 50.646 1.00 0.00 C ATOM 485 OD1 ASN A 31 35.974 45.312 51.677 1.00 0.00 O ATOM 486 ND2 ASN A 31 34.949 44.142 50.053 1.00 0.00 N ATOM 0 H ASN A 31 40.319 43.887 51.252 1.00 0.00 H new ATOM 0 HA ASN A 31 38.194 44.176 51.756 1.00 0.00 H new ATOM 0 HB2 ASN A 31 37.830 45.364 49.648 1.00 0.00 H new ATOM 0 HB3 ASN A 31 37.186 43.871 48.993 1.00 0.00 H new ATOM 0 HD21 ASN A 31 34.028 44.280 50.469 1.00 0.00 H new ATOM 0 HD22 ASN A 31 35.044 43.608 49.189 1.00 0.00 H new ATOM 493 N ILE A 32 38.262 41.514 52.215 1.00 0.00 N ATOM 494 CA ILE A 32 37.937 40.105 52.384 1.00 0.00 C ATOM 495 C ILE A 32 38.029 39.602 53.865 1.00 0.00 C ATOM 496 O ILE A 32 38.734 40.148 54.709 1.00 0.00 O ATOM 497 CB ILE A 32 38.858 39.161 51.550 1.00 0.00 C ATOM 498 CG1 ILE A 32 38.243 37.801 51.169 1.00 0.00 C ATOM 499 CG2 ILE A 32 40.216 38.923 52.245 1.00 0.00 C ATOM 500 CD1 ILE A 32 37.043 37.885 50.212 1.00 0.00 C ATOM 0 H ILE A 32 38.742 41.964 52.994 1.00 0.00 H new ATOM 0 HA ILE A 32 36.905 40.056 52.035 1.00 0.00 H new ATOM 0 HB ILE A 32 38.997 39.708 50.617 1.00 0.00 H new ATOM 0 HG12 ILE A 32 39.015 37.184 50.709 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.929 37.291 52.080 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.827 38.261 51.632 1.00 0.00 H new ATOM 0 HG22 ILE A 32 40.730 39.875 52.374 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.050 38.465 53.220 1.00 0.00 H new ATOM 0 HD11 ILE A 32 36.676 36.881 50.000 1.00 0.00 H new ATOM 0 HD12 ILE A 32 36.249 38.471 50.675 1.00 0.00 H new ATOM 0 HD13 ILE A 32 37.352 38.363 49.282 1.00 0.00 H new ATOM 512 N ILE A 33 37.312 38.441 54.112 1.00 0.00 N ATOM 513 CA ILE A 33 37.404 37.666 55.361 1.00 0.00 C ATOM 514 C ILE A 33 38.486 36.571 55.044 1.00 0.00 C ATOM 515 O ILE A 33 38.184 35.489 54.548 1.00 0.00 O ATOM 516 CB ILE A 33 36.056 37.104 55.839 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.109 38.261 56.258 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.188 36.062 56.968 1.00 0.00 C ATOM 519 CD1 ILE A 33 33.675 37.870 56.652 1.00 0.00 C ATOM 0 H ILE A 33 36.663 38.039 53.435 1.00 0.00 H new ATOM 0 HA ILE A 33 37.693 38.283 56.211 1.00 0.00 H new ATOM 0 HB ILE A 33 35.624 36.571 54.992 1.00 0.00 H new ATOM 0 HG12 ILE A 33 35.563 38.784 57.100 1.00 0.00 H new ATOM 0 HG13 ILE A 33 35.054 38.971 55.433 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.197 35.709 57.255 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.786 35.220 56.618 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.674 36.519 57.830 1.00 0.00 H new ATOM 0 HD11 ILE A 33 33.115 38.765 56.923 1.00 0.00 H new ATOM 0 HD12 ILE A 33 33.188 37.379 55.810 1.00 0.00 H new ATOM 0 HD13 ILE A 33 33.704 37.189 57.502 1.00 0.00 H new ATOM 531 N ARG A 34 39.806 36.883 55.334 1.00 0.00 N ATOM 532 CA ARG A 34 40.922 35.940 55.085 1.00 0.00 C ATOM 533 C ARG A 34 41.686 36.006 56.432 1.00 0.00 C ATOM 534 O ARG A 34 42.392 36.960 56.760 1.00 0.00 O ATOM 535 CB ARG A 34 41.813 36.203 53.861 1.00 0.00 C ATOM 536 CG ARG A 34 43.061 35.296 53.765 1.00 0.00 C ATOM 537 CD ARG A 34 43.708 35.220 52.364 1.00 0.00 C ATOM 538 NE ARG A 34 44.339 36.405 51.744 1.00 0.00 N ATOM 539 CZ ARG A 34 44.210 37.659 52.133 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.576 38.038 53.327 1.00 0.00 N ATOM 541 NH2 ARG A 34 43.721 38.533 51.306 1.00 0.00 N ATOM 0 H ARG A 34 40.098 37.774 55.735 1.00 0.00 H new ATOM 0 HA ARG A 34 40.551 34.954 54.806 1.00 0.00 H new ATOM 0 HB2 ARG A 34 41.215 36.073 52.959 1.00 0.00 H new ATOM 0 HB3 ARG A 34 42.137 37.243 53.881 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.807 35.654 54.474 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.784 34.289 54.076 1.00 0.00 H new ATOM 0 HD2 ARG A 34 44.469 34.441 52.407 1.00 0.00 H new ATOM 0 HD3 ARG A 34 42.937 34.874 51.676 1.00 0.00 H new ATOM 0 HE ARG A 34 44.934 36.236 50.933 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.970 37.360 53.979 1.00 0.00 H new ATOM 0 HH12 ARG A 34 44.468 39.012 53.608 1.00 0.00 H new ATOM 0 HH21 ARG A 34 43.442 38.247 50.368 1.00 0.00 H new ATOM 0 HH22 ARG A 34 43.616 39.506 51.595 1.00 0.00 H new ATOM 555 N ARG A 35 41.473 34.915 57.261 1.00 0.00 N ATOM 556 CA ARG A 35 41.752 35.006 58.687 1.00 0.00 C ATOM 557 C ARG A 35 42.378 33.720 59.306 1.00 0.00 C ATOM 558 O ARG A 35 42.921 32.873 58.599 1.00 0.00 O ATOM 559 CB ARG A 35 40.455 35.553 59.338 1.00 0.00 C ATOM 560 CG ARG A 35 39.107 34.774 59.246 1.00 0.00 C ATOM 561 CD ARG A 35 39.011 33.533 60.157 1.00 0.00 C ATOM 562 NE ARG A 35 37.705 33.115 60.734 1.00 0.00 N ATOM 563 CZ ARG A 35 36.526 32.922 60.159 1.00 0.00 C ATOM 564 NH1 ARG A 35 36.192 33.496 59.040 1.00 0.00 N ATOM 565 NH2 ARG A 35 35.662 32.126 60.733 1.00 0.00 N ATOM 0 H ARG A 35 41.121 34.010 56.948 1.00 0.00 H new ATOM 0 HA ARG A 35 42.565 35.701 58.898 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.668 35.695 60.398 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.280 36.541 58.913 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.293 35.454 59.496 1.00 0.00 H new ATOM 0 HG3 ARG A 35 38.955 34.461 58.213 1.00 0.00 H new ATOM 0 HD2 ARG A 35 39.396 32.687 59.588 1.00 0.00 H new ATOM 0 HD3 ARG A 35 39.694 33.694 60.991 1.00 0.00 H new ATOM 0 HE ARG A 35 37.719 32.949 61.740 1.00 0.00 H new ATOM 0 HH11 ARG A 35 36.848 34.121 58.572 1.00 0.00 H new ATOM 0 HH12 ARG A 35 35.274 33.320 58.631 1.00 0.00 H new ATOM 0 HH21 ARG A 35 35.899 31.664 61.611 1.00 0.00 H new ATOM 0 HH22 ARG A 35 34.751 31.967 60.303 1.00 0.00 H new ATOM 579 N GLY A 36 42.410 33.655 60.693 1.00 0.00 N ATOM 580 CA GLY A 36 43.119 32.492 61.234 1.00 0.00 C ATOM 581 C GLY A 36 43.082 32.323 62.760 1.00 0.00 C ATOM 582 O GLY A 36 42.276 32.945 63.442 1.00 0.00 O ATOM 0 H GLY A 36 42.003 34.314 61.356 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.700 31.594 60.780 1.00 0.00 H new ATOM 0 HA3 GLY A 36 44.162 32.551 60.921 1.00 0.00 H new ATOM 586 N CYS A 37 43.970 31.399 63.278 1.00 0.00 N ATOM 587 CA CYS A 37 43.990 31.039 64.705 1.00 0.00 C ATOM 588 C CYS A 37 45.158 31.733 65.489 1.00 0.00 C ATOM 589 O CYS A 37 46.324 31.715 65.100 1.00 0.00 O ATOM 590 CB CYS A 37 44.091 29.505 64.883 1.00 0.00 C ATOM 591 SG CYS A 37 45.575 28.837 64.063 1.00 0.00 S ATOM 0 H CYS A 37 44.665 30.908 62.716 1.00 0.00 H new ATOM 0 HA CYS A 37 43.050 31.398 65.124 1.00 0.00 H new ATOM 0 HB2 CYS A 37 44.120 29.262 65.945 1.00 0.00 H new ATOM 0 HB3 CYS A 37 43.201 29.030 64.471 1.00 0.00 H new ATOM 596 N GLY A 38 44.790 32.422 66.644 1.00 0.00 N ATOM 597 CA GLY A 38 45.831 32.980 67.496 1.00 0.00 C ATOM 598 C GLY A 38 45.125 33.440 68.789 1.00 0.00 C ATOM 599 O GLY A 38 45.008 32.705 69.764 1.00 0.00 O ATOM 0 H GLY A 38 43.832 32.577 66.958 1.00 0.00 H new ATOM 0 HA2 GLY A 38 46.597 32.236 67.714 1.00 0.00 H new ATOM 0 HA3 GLY A 38 46.329 33.816 67.006 1.00 0.00 H new ATOM 603 N CYS A 39 44.656 34.746 68.766 1.00 0.00 N ATOM 604 CA CYS A 39 43.955 35.385 69.882 1.00 0.00 C ATOM 605 C CYS A 39 44.957 35.887 70.973 1.00 0.00 C ATOM 606 O CYS A 39 44.834 36.986 71.509 1.00 0.00 O ATOM 607 CB CYS A 39 42.976 36.438 69.342 1.00 0.00 C ATOM 608 SG CYS A 39 42.109 37.391 70.626 1.00 0.00 S ATOM 0 H CYS A 39 44.770 35.358 67.958 1.00 0.00 H new ATOM 0 HA CYS A 39 43.341 34.658 70.413 1.00 0.00 H new ATOM 0 HB2 CYS A 39 43.523 37.130 68.701 1.00 0.00 H new ATOM 0 HB3 CYS A 39 42.236 35.940 68.715 1.00 0.00 H new ATOM 613 N PHE A 40 45.966 35.003 71.317 1.00 0.00 N ATOM 614 CA PHE A 40 46.830 35.194 72.489 1.00 0.00 C ATOM 615 C PHE A 40 48.074 36.049 72.057 1.00 0.00 C ATOM 616 O PHE A 40 49.208 35.599 72.203 1.00 0.00 O ATOM 617 CB PHE A 40 47.174 33.803 73.090 1.00 0.00 C ATOM 618 CG PHE A 40 45.983 32.841 73.162 1.00 0.00 C ATOM 619 CD1 PHE A 40 44.756 33.235 73.711 1.00 0.00 C ATOM 620 CD2 PHE A 40 46.055 31.547 72.623 1.00 0.00 C ATOM 621 CE1 PHE A 40 43.650 32.389 73.727 1.00 0.00 C ATOM 622 CE2 PHE A 40 44.956 30.689 72.633 1.00 0.00 C ATOM 623 CZ PHE A 40 43.754 31.096 73.214 1.00 0.00 C ATOM 0 H PHE A 40 46.178 34.161 70.782 1.00 0.00 H new ATOM 0 HA PHE A 40 46.337 35.752 73.285 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.962 33.345 72.491 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.576 33.942 74.093 1.00 0.00 H new ATOM 0 HD1 PHE A 40 44.665 34.224 74.134 1.00 0.00 H new ATOM 0 HD2 PHE A 40 46.984 31.208 72.190 1.00 0.00 H new ATOM 0 HE1 PHE A 40 42.712 32.734 74.136 1.00 0.00 H new ATOM 0 HE2 PHE A 40 45.035 29.707 72.190 1.00 0.00 H new ATOM 0 HZ PHE A 40 42.915 30.418 73.266 1.00 0.00 H new ATOM 735 N GLY A 48 44.295 42.918 67.545 1.00 0.00 N ATOM 736 CA GLY A 48 44.753 41.725 66.820 1.00 0.00 C ATOM 737 C GLY A 48 43.453 41.136 66.222 1.00 0.00 C ATOM 738 O GLY A 48 42.928 40.189 66.794 1.00 0.00 O ATOM 0 HA2 GLY A 48 45.471 41.981 66.041 1.00 0.00 H new ATOM 0 HA3 GLY A 48 45.244 41.016 67.486 1.00 0.00 H new ATOM 742 N PRO A 49 42.968 41.701 64.986 1.00 0.00 N ATOM 743 CA PRO A 49 41.570 41.363 64.588 1.00 0.00 C ATOM 744 C PRO A 49 40.601 41.460 65.818 1.00 0.00 C ATOM 745 O PRO A 49 40.815 42.202 66.777 1.00 0.00 O ATOM 746 CB PRO A 49 41.607 40.052 63.758 1.00 0.00 C ATOM 747 CG PRO A 49 43.115 39.766 63.602 1.00 0.00 C ATOM 748 CD PRO A 49 43.743 41.131 63.878 1.00 0.00 C ATOM 0 HA PRO A 49 41.121 42.091 63.913 1.00 0.00 H new ATOM 0 HB2 PRO A 49 41.095 39.238 64.271 1.00 0.00 H new ATOM 0 HB3 PRO A 49 41.120 40.176 62.791 1.00 0.00 H new ATOM 0 HG2 PRO A 49 43.460 39.011 64.308 1.00 0.00 H new ATOM 0 HG3 PRO A 49 43.358 39.403 62.603 1.00 0.00 H new ATOM 0 HD2 PRO A 49 44.795 41.032 64.145 1.00 0.00 H new ATOM 0 HD3 PRO A 49 43.696 41.770 62.996 1.00 0.00 H new ATOM 756 N TYR A 50 39.427 40.759 65.678 1.00 0.00 N ATOM 757 CA TYR A 50 38.445 40.662 66.781 1.00 0.00 C ATOM 758 C TYR A 50 38.194 39.131 67.015 1.00 0.00 C ATOM 759 O TYR A 50 38.123 38.335 66.077 1.00 0.00 O ATOM 760 CB TYR A 50 37.125 41.493 66.672 1.00 0.00 C ATOM 761 CG TYR A 50 36.256 41.047 65.528 1.00 0.00 C ATOM 762 CD1 TYR A 50 35.315 40.033 65.689 1.00 0.00 C ATOM 763 CD2 TYR A 50 36.363 41.639 64.274 1.00 0.00 C ATOM 764 CE1 TYR A 50 34.516 39.611 64.639 1.00 0.00 C ATOM 765 CE2 TYR A 50 35.565 41.243 63.212 1.00 0.00 C ATOM 766 CZ TYR A 50 34.624 40.222 63.378 1.00 0.00 C ATOM 767 OH TYR A 50 33.816 39.792 62.363 1.00 0.00 O ATOM 0 H TYR A 50 39.155 40.268 64.827 1.00 0.00 H new ATOM 0 HA TYR A 50 38.888 41.154 67.647 1.00 0.00 H new ATOM 0 HB2 TYR A 50 36.566 41.405 67.604 1.00 0.00 H new ATOM 0 HB3 TYR A 50 37.372 42.547 66.547 1.00 0.00 H new ATOM 0 HD1 TYR A 50 35.206 39.564 66.656 1.00 0.00 H new ATOM 0 HD2 TYR A 50 37.086 42.427 64.124 1.00 0.00 H new ATOM 0 HE1 TYR A 50 33.808 38.810 64.790 1.00 0.00 H new ATOM 0 HE2 TYR A 50 35.671 41.725 62.252 1.00 0.00 H new ATOM 0 HH TYR A 50 33.832 40.445 61.633 1.00 0.00 H new ATOM 777 N CYS A 51 38.077 38.721 68.343 1.00 0.00 N ATOM 778 CA CYS A 51 38.301 37.301 68.673 1.00 0.00 C ATOM 779 C CYS A 51 37.120 36.501 69.303 1.00 0.00 C ATOM 780 O CYS A 51 36.209 37.029 69.934 1.00 0.00 O ATOM 781 CB CYS A 51 39.464 37.229 69.678 1.00 0.00 C ATOM 782 SG CYS A 51 40.878 38.289 69.247 1.00 0.00 S ATOM 0 H CYS A 51 37.845 39.327 69.130 1.00 0.00 H new ATOM 0 HA CYS A 51 38.479 36.833 67.705 1.00 0.00 H new ATOM 0 HB2 CYS A 51 39.097 37.513 70.664 1.00 0.00 H new ATOM 0 HB3 CYS A 51 39.805 36.196 69.750 1.00 0.00 H new ATOM 787 N CYS A 52 37.268 35.137 69.155 1.00 0.00 N ATOM 788 CA CYS A 52 36.330 34.125 69.637 1.00 0.00 C ATOM 789 C CYS A 52 37.090 32.925 70.306 1.00 0.00 C ATOM 790 O CYS A 52 38.256 32.680 70.004 1.00 0.00 O ATOM 791 CB CYS A 52 35.570 33.552 68.451 1.00 0.00 C ATOM 792 SG CYS A 52 34.014 32.716 68.844 1.00 0.00 S ATOM 0 H CYS A 52 38.074 34.730 68.681 1.00 0.00 H new ATOM 0 HA CYS A 52 35.667 34.600 70.361 1.00 0.00 H new ATOM 0 HB2 CYS A 52 35.359 34.362 67.753 1.00 0.00 H new ATOM 0 HB3 CYS A 52 36.220 32.846 67.934 1.00 0.00 H new ATOM 797 N GLU A 53 36.379 32.124 71.180 1.00 0.00 N ATOM 798 CA GLU A 53 36.936 30.870 71.728 1.00 0.00 C ATOM 799 C GLU A 53 35.926 29.748 71.327 1.00 0.00 C ATOM 800 O GLU A 53 35.374 29.059 72.181 1.00 0.00 O ATOM 801 CB GLU A 53 37.271 30.923 73.238 1.00 0.00 C ATOM 802 CG GLU A 53 36.148 31.387 74.196 1.00 0.00 C ATOM 803 CD GLU A 53 36.353 30.810 75.593 1.00 0.00 C ATOM 804 OE1 GLU A 53 35.779 29.831 76.032 1.00 0.00 O ATOM 805 OE2 GLU A 53 37.253 31.513 76.287 1.00 0.00 O ATOM 0 H GLU A 53 35.436 32.338 71.503 1.00 0.00 H new ATOM 0 HA GLU A 53 37.920 30.669 71.304 1.00 0.00 H new ATOM 0 HB2 GLU A 53 37.590 29.928 73.548 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.125 31.587 73.371 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.134 32.476 74.246 1.00 0.00 H new ATOM 0 HG3 GLU A 53 35.179 31.073 73.807 1.00 0.00 H new ATOM 813 N SER A 54 35.706 29.565 69.967 1.00 0.00 N ATOM 814 CA SER A 54 34.708 28.610 69.495 1.00 0.00 C ATOM 815 C SER A 54 34.915 28.225 67.993 1.00 0.00 C ATOM 816 O SER A 54 35.746 28.788 67.285 1.00 0.00 O ATOM 817 CB SER A 54 33.235 29.089 69.721 1.00 0.00 C ATOM 818 OG SER A 54 32.775 28.902 71.057 1.00 0.00 O ATOM 0 H SER A 54 36.205 30.063 69.230 1.00 0.00 H new ATOM 0 HA SER A 54 34.863 27.722 70.107 1.00 0.00 H new ATOM 0 HB2 SER A 54 33.162 30.146 69.464 1.00 0.00 H new ATOM 0 HB3 SER A 54 32.577 28.549 69.040 1.00 0.00 H new ATOM 0 HG SER A 54 33.541 28.885 71.668 1.00 0.00 H new ATOM 824 N ASP A 55 34.134 27.167 67.559 1.00 0.00 N ATOM 825 CA ASP A 55 34.234 26.636 66.197 1.00 0.00 C ATOM 826 C ASP A 55 33.416 27.579 65.241 1.00 0.00 C ATOM 827 O ASP A 55 32.244 27.879 65.466 1.00 0.00 O ATOM 828 CB ASP A 55 33.682 25.196 66.137 1.00 0.00 C ATOM 829 CG ASP A 55 33.864 24.553 64.744 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.937 24.796 64.176 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.927 23.866 64.331 1.00 0.00 O ATOM 0 H ASP A 55 33.447 26.692 68.145 1.00 0.00 H new ATOM 0 HA ASP A 55 35.278 26.604 65.885 1.00 0.00 H new ATOM 0 HB2 ASP A 55 34.187 24.585 66.885 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.623 25.205 66.395 1.00 0.00 H new ATOM 836 N LYS A 56 34.092 28.067 64.127 1.00 0.00 N ATOM 837 CA LYS A 56 33.511 28.889 63.063 1.00 0.00 C ATOM 838 C LYS A 56 33.343 30.366 63.564 1.00 0.00 C ATOM 839 O LYS A 56 34.016 31.263 63.059 1.00 0.00 O ATOM 840 CB LYS A 56 32.237 28.344 62.381 1.00 0.00 C ATOM 841 CG LYS A 56 32.257 26.828 62.059 1.00 0.00 C ATOM 842 CD LYS A 56 33.349 26.311 61.102 1.00 0.00 C ATOM 843 CE LYS A 56 33.272 24.790 60.883 1.00 0.00 C ATOM 844 NZ LYS A 56 33.887 24.053 62.078 1.00 0.00 N ATOM 0 H LYS A 56 35.082 27.875 63.973 1.00 0.00 H new ATOM 0 HA LYS A 56 34.233 28.852 62.248 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.383 28.551 63.025 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.077 28.894 61.454 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.353 26.287 63.000 1.00 0.00 H new ATOM 0 HG3 LYS A 56 31.288 26.563 61.636 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.255 26.818 60.142 1.00 0.00 H new ATOM 0 HD3 LYS A 56 34.330 26.567 61.503 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.233 24.486 60.754 1.00 0.00 H new ATOM 0 HE3 LYS A 56 33.800 24.519 59.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 34.353 23.184 61.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.587 24.667 62.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 33.138 23.807 62.757 1.00 0.00 H new ATOM 858 N CYS A 57 32.406 30.596 64.555 1.00 0.00 N ATOM 859 CA CYS A 57 32.106 31.887 65.173 1.00 0.00 C ATOM 860 C CYS A 57 31.300 32.766 64.159 1.00 0.00 C ATOM 861 O CYS A 57 31.652 33.917 63.910 1.00 0.00 O ATOM 862 CB CYS A 57 33.308 32.591 65.817 1.00 0.00 C ATOM 863 SG CYS A 57 34.031 31.568 67.146 1.00 0.00 S ATOM 0 H CYS A 57 31.835 29.842 64.938 1.00 0.00 H new ATOM 0 HA CYS A 57 31.474 31.703 66.042 1.00 0.00 H new ATOM 0 HB2 CYS A 57 34.064 32.795 65.058 1.00 0.00 H new ATOM 0 HB3 CYS A 57 32.996 33.553 66.223 1.00 0.00 H new ATOM 868 N ASN A 58 30.141 32.203 63.641 1.00 0.00 N ATOM 869 CA ASN A 58 29.197 32.893 62.747 1.00 0.00 C ATOM 870 C ASN A 58 29.984 33.205 61.437 1.00 0.00 C ATOM 871 O ASN A 58 30.291 34.360 61.150 1.00 0.00 O ATOM 872 CB ASN A 58 28.502 34.115 63.369 1.00 0.00 C ATOM 873 CG ASN A 58 27.445 34.671 62.421 1.00 0.00 C ATOM 874 OD1 ASN A 58 27.633 35.620 61.684 1.00 0.00 O ATOM 875 ND2 ASN A 58 26.254 34.034 62.466 1.00 0.00 N ATOM 0 H ASN A 58 29.859 31.246 63.852 1.00 0.00 H new ATOM 0 HA ASN A 58 28.345 32.247 62.536 1.00 0.00 H new ATOM 0 HB2 ASN A 58 28.039 33.834 64.315 1.00 0.00 H new ATOM 0 HB3 ASN A 58 29.240 34.886 63.592 1.00 0.00 H new ATOM 0 HD21 ASN A 58 25.486 34.347 61.872 1.00 0.00 H new ATOM 0 HD22 ASN A 58 26.123 33.240 63.093 1.00 0.00 H new ATOM 882 N LEU A 59 30.285 32.116 60.634 1.00 0.00 N ATOM 883 CA LEU A 59 31.064 32.166 59.373 1.00 0.00 C ATOM 884 C LEU A 59 32.576 32.255 59.836 1.00 0.00 C ATOM 885 O LEU A 59 33.085 33.381 59.921 1.00 0.00 O ATOM 886 CB LEU A 59 30.639 33.232 58.350 1.00 0.00 C ATOM 887 CG LEU A 59 31.336 33.103 56.975 1.00 0.00 C ATOM 888 CD1 LEU A 59 30.738 31.987 56.101 1.00 0.00 C ATOM 889 CD2 LEU A 59 31.286 34.441 56.222 1.00 0.00 C ATOM 890 OXT LEU A 59 33.122 31.169 60.069 1.00 0.00 O ATOM 0 H LEU A 59 29.978 31.172 60.867 1.00 0.00 H new ATOM 0 HA LEU A 59 30.873 31.273 58.778 1.00 0.00 H new ATOM 0 HB2 LEU A 59 29.560 33.171 58.205 1.00 0.00 H new ATOM 0 HB3 LEU A 59 30.851 34.219 58.761 1.00 0.00 H new ATOM 0 HG LEU A 59 32.372 32.831 57.176 1.00 0.00 H new ATOM 0 HD11 LEU A 59 31.269 31.946 55.150 1.00 0.00 H new ATOM 0 HD12 LEU A 59 30.838 31.030 56.614 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.683 32.193 55.919 1.00 0.00 H new ATOM 0 HD21 LEU A 59 31.780 34.334 55.257 1.00 0.00 H new ATOM 0 HD22 LEU A 59 30.247 34.733 56.067 1.00 0.00 H new ATOM 0 HD23 LEU A 59 31.795 35.207 56.807 1.00 0.00 H new