USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=14 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= -1.83 K(o=-0.98,f=-2.1) USER MOD Set 1.2: A 13 THR OG1 : rot -64:sc= 0.852 USER MOD Single : A 1 ARG N :NH3+ 153:sc= 1.2 (180deg=0.956) USER MOD Single : A 4 TYR OH : rot 132:sc= 1 USER MOD Single : A 5 ASN : amide:sc= -0.0723 K(o=-0.072,f=-0.76) USER MOD Single : A 9 THR OG1 : rot 27:sc= 0.997 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 35:sc= 0.971 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 147:sc= 1.45 (180deg=-0.213) USER MOD Single : A 25 ASN :FLIP amide:sc= -1.79 F(o=-2.7,f=-1.8) USER MOD Single : A 28 THR OG1 : rot -90:sc= 0.141 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot -5:sc= 0.803 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= -1.68! (180deg=-2.28!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 39.386 23.240 66.708 1.00 0.00 N ATOM 2 CA ARG A 1 38.175 24.127 66.361 1.00 0.00 C ATOM 3 C ARG A 1 38.220 24.402 64.831 1.00 0.00 C ATOM 4 O ARG A 1 39.147 23.925 64.188 1.00 0.00 O ATOM 5 CB ARG A 1 38.225 25.430 67.159 1.00 0.00 C ATOM 6 CG ARG A 1 39.402 26.383 66.862 1.00 0.00 C ATOM 7 CD ARG A 1 39.168 27.778 67.477 1.00 0.00 C ATOM 8 NE ARG A 1 38.816 27.902 68.917 1.00 0.00 N ATOM 9 CZ ARG A 1 39.339 27.248 69.941 1.00 0.00 C ATOM 10 NH1 ARG A 1 40.329 26.421 69.789 1.00 0.00 N ATOM 11 NH2 ARG A 1 38.821 27.375 71.134 1.00 0.00 N ATOM 0 H1 ARG A 1 39.662 23.401 67.698 1.00 0.00 H new ATOM 0 H2 ARG A 1 39.133 22.240 66.577 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.182 23.480 66.084 1.00 0.00 H new ATOM 0 HA ARG A 1 37.242 23.628 66.621 1.00 0.00 H new ATOM 0 HB2 ARG A 1 37.296 25.972 66.983 1.00 0.00 H new ATOM 0 HB3 ARG A 1 38.251 25.178 68.219 1.00 0.00 H new ATOM 0 HG2 ARG A 1 40.324 25.959 67.259 1.00 0.00 H new ATOM 0 HG3 ARG A 1 39.533 26.477 65.784 1.00 0.00 H new ATOM 0 HD2 ARG A 1 40.074 28.362 67.312 1.00 0.00 H new ATOM 0 HD3 ARG A 1 38.372 28.256 66.906 1.00 0.00 H new ATOM 0 HE ARG A 1 38.082 28.573 69.142 1.00 0.00 H new ATOM 0 HH11 ARG A 1 40.723 26.262 68.862 1.00 0.00 H new ATOM 0 HH12 ARG A 1 40.712 25.930 70.597 1.00 0.00 H new ATOM 0 HH21 ARG A 1 38.012 27.979 71.277 1.00 0.00 H new ATOM 0 HH22 ARG A 1 39.226 26.870 71.922 1.00 0.00 H new ATOM 27 N ILE A 2 37.223 25.159 64.242 1.00 0.00 N ATOM 28 CA ILE A 2 37.226 25.445 62.781 1.00 0.00 C ATOM 29 C ILE A 2 37.239 27.000 62.599 1.00 0.00 C ATOM 30 O ILE A 2 36.408 27.733 63.138 1.00 0.00 O ATOM 31 CB ILE A 2 36.056 24.871 61.942 1.00 0.00 C ATOM 32 CG1 ILE A 2 35.978 23.327 62.050 1.00 0.00 C ATOM 33 CG2 ILE A 2 36.137 25.313 60.456 1.00 0.00 C ATOM 34 CD1 ILE A 2 34.672 22.710 61.522 1.00 0.00 C ATOM 0 H ILE A 2 36.437 25.564 64.751 1.00 0.00 H new ATOM 0 HA ILE A 2 38.111 24.936 62.398 1.00 0.00 H new ATOM 0 HB ILE A 2 35.139 25.285 62.362 1.00 0.00 H new ATOM 0 HG12 ILE A 2 36.815 22.895 61.501 1.00 0.00 H new ATOM 0 HG13 ILE A 2 36.101 23.043 63.095 1.00 0.00 H new ATOM 0 HG21 ILE A 2 35.298 24.889 59.904 1.00 0.00 H new ATOM 0 HG22 ILE A 2 36.097 26.401 60.397 1.00 0.00 H new ATOM 0 HG23 ILE A 2 37.073 24.960 60.022 1.00 0.00 H new ATOM 0 HD11 ILE A 2 34.708 21.627 61.638 1.00 0.00 H new ATOM 0 HD12 ILE A 2 33.828 23.108 62.086 1.00 0.00 H new ATOM 0 HD13 ILE A 2 34.553 22.958 60.467 1.00 0.00 H new ATOM 46 N CYS A 3 38.227 27.503 61.772 1.00 0.00 N ATOM 47 CA CYS A 3 38.306 28.921 61.416 1.00 0.00 C ATOM 48 C CYS A 3 38.806 28.952 59.927 1.00 0.00 C ATOM 49 O CYS A 3 39.740 28.249 59.539 1.00 0.00 O ATOM 50 CB CYS A 3 39.217 29.756 62.331 1.00 0.00 C ATOM 51 SG CYS A 3 38.886 29.335 64.084 1.00 0.00 S ATOM 0 H CYS A 3 38.961 26.929 61.357 1.00 0.00 H new ATOM 0 HA CYS A 3 37.327 29.384 61.541 1.00 0.00 H new ATOM 0 HB2 CYS A 3 40.263 29.564 62.092 1.00 0.00 H new ATOM 0 HB3 CYS A 3 39.042 30.819 62.163 1.00 0.00 H new ATOM 56 N TYR A 4 38.158 29.800 59.042 1.00 0.00 N ATOM 57 CA TYR A 4 38.429 29.700 57.602 1.00 0.00 C ATOM 58 C TYR A 4 39.772 30.397 57.222 1.00 0.00 C ATOM 59 O TYR A 4 40.197 31.342 57.882 1.00 0.00 O ATOM 60 CB TYR A 4 37.304 30.411 56.799 1.00 0.00 C ATOM 61 CG TYR A 4 35.940 30.353 57.475 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.451 29.216 58.124 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.205 31.532 57.605 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.357 29.280 58.972 1.00 0.00 C ATOM 65 CE2 TYR A 4 34.096 31.611 58.429 1.00 0.00 C ATOM 66 CZ TYR A 4 33.688 30.497 59.168 1.00 0.00 C ATOM 67 OH TYR A 4 32.677 30.583 60.088 1.00 0.00 O ATOM 0 H TYR A 4 37.483 30.516 59.309 1.00 0.00 H new ATOM 0 HA TYR A 4 38.481 28.638 57.361 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.581 31.454 56.648 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.230 29.955 55.812 1.00 0.00 H new ATOM 0 HD1 TYR A 4 35.937 28.265 57.961 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.510 32.406 57.048 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.019 28.391 59.483 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.544 32.536 58.501 1.00 0.00 H new ATOM 0 HH TYR A 4 32.813 31.373 60.651 1.00 0.00 H new ATOM 77 N ASN A 5 40.421 29.941 56.085 1.00 0.00 N ATOM 78 CA ASN A 5 41.594 30.675 55.589 1.00 0.00 C ATOM 79 C ASN A 5 41.418 30.664 54.053 1.00 0.00 C ATOM 80 O ASN A 5 42.255 30.149 53.320 1.00 0.00 O ATOM 81 CB ASN A 5 42.948 30.111 56.039 1.00 0.00 C ATOM 82 CG ASN A 5 44.092 30.977 55.505 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.996 32.172 55.291 1.00 0.00 O ATOM 84 ND2 ASN A 5 45.240 30.303 55.271 1.00 0.00 N ATOM 0 H ASN A 5 40.153 29.119 55.544 1.00 0.00 H new ATOM 0 HA ASN A 5 41.628 31.681 56.007 1.00 0.00 H new ATOM 0 HB2 ASN A 5 42.990 30.073 57.128 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.060 29.088 55.680 1.00 0.00 H new ATOM 0 HD21 ASN A 5 46.055 30.795 54.906 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.291 29.302 55.460 1.00 0.00 H new ATOM 91 N HIS A 6 40.250 31.268 53.617 1.00 0.00 N ATOM 92 CA HIS A 6 39.761 31.401 52.239 1.00 0.00 C ATOM 93 C HIS A 6 39.986 32.843 51.651 1.00 0.00 C ATOM 94 O HIS A 6 40.680 33.662 52.247 1.00 0.00 O ATOM 95 CB HIS A 6 40.098 30.185 51.291 1.00 0.00 C ATOM 96 CG HIS A 6 41.437 30.211 50.634 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.023 29.065 50.058 1.00 0.00 N ATOM 98 CD2 HIS A 6 42.323 31.208 50.343 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.188 29.340 49.479 1.00 0.00 C ATOM 100 NE2 HIS A 6 43.381 30.657 49.639 1.00 0.00 N ATOM 0 H HIS A 6 39.605 31.693 54.283 1.00 0.00 H new ATOM 0 HA HIS A 6 38.676 31.314 52.295 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.020 29.266 51.872 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.336 30.136 50.513 1.00 0.00 H new ATOM 0 HD2 HIS A 6 42.217 32.248 50.615 1.00 0.00 H new ATOM 0 HE1 HIS A 6 43.846 28.643 48.981 1.00 0.00 H new ATOM 0 HE2 HIS A 6 44.188 31.177 49.293 1.00 0.00 H new ATOM 109 N LEU A 7 39.308 33.152 50.485 1.00 0.00 N ATOM 110 CA LEU A 7 39.263 34.495 49.911 1.00 0.00 C ATOM 111 C LEU A 7 40.635 35.007 49.344 1.00 0.00 C ATOM 112 O LEU A 7 41.577 34.244 49.148 1.00 0.00 O ATOM 113 CB LEU A 7 38.429 35.465 50.779 1.00 0.00 C ATOM 114 CG LEU A 7 36.909 35.146 50.796 1.00 0.00 C ATOM 115 CD1 LEU A 7 36.172 35.939 51.883 1.00 0.00 C ATOM 116 CD2 LEU A 7 36.247 35.471 49.445 1.00 0.00 C ATOM 0 H LEU A 7 38.790 32.460 49.943 1.00 0.00 H new ATOM 0 HA LEU A 7 38.693 34.441 48.984 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.807 35.439 51.801 1.00 0.00 H new ATOM 0 HB3 LEU A 7 38.573 36.481 50.412 1.00 0.00 H new ATOM 0 HG LEU A 7 36.831 34.078 51.002 1.00 0.00 H new ATOM 0 HD11 LEU A 7 35.112 35.687 51.861 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.585 35.688 52.860 1.00 0.00 H new ATOM 0 HD13 LEU A 7 36.295 37.007 51.701 1.00 0.00 H new ATOM 0 HD21 LEU A 7 35.184 35.235 49.495 1.00 0.00 H new ATOM 0 HD22 LEU A 7 36.374 36.531 49.223 1.00 0.00 H new ATOM 0 HD23 LEU A 7 36.714 34.878 48.659 1.00 0.00 H new ATOM 128 N GLY A 8 40.636 36.322 48.896 1.00 0.00 N ATOM 129 CA GLY A 8 41.729 36.869 48.073 1.00 0.00 C ATOM 130 C GLY A 8 41.428 36.697 46.556 1.00 0.00 C ATOM 131 O GLY A 8 41.758 37.565 45.755 1.00 0.00 O ATOM 0 H GLY A 8 39.893 36.990 49.101 1.00 0.00 H new ATOM 0 HA2 GLY A 8 41.867 37.926 48.302 1.00 0.00 H new ATOM 0 HA3 GLY A 8 42.663 36.364 48.321 1.00 0.00 H new ATOM 135 N THR A 9 40.850 35.497 46.180 1.00 0.00 N ATOM 136 CA THR A 9 40.455 35.106 44.823 1.00 0.00 C ATOM 137 C THR A 9 39.858 33.676 44.944 1.00 0.00 C ATOM 138 O THR A 9 38.848 33.362 44.318 1.00 0.00 O ATOM 139 CB THR A 9 41.530 34.987 43.686 1.00 0.00 C ATOM 140 OG1 THR A 9 42.115 36.239 43.320 1.00 0.00 O ATOM 141 CG2 THR A 9 40.947 34.438 42.370 1.00 0.00 C ATOM 0 H THR A 9 40.651 34.766 46.863 1.00 0.00 H new ATOM 0 HA THR A 9 39.812 35.928 44.509 1.00 0.00 H new ATOM 0 HB THR A 9 42.269 34.315 44.122 1.00 0.00 H new ATOM 0 HG1 THR A 9 42.075 36.854 44.082 1.00 0.00 H new ATOM 0 HG21 THR A 9 41.736 34.377 41.620 1.00 0.00 H new ATOM 0 HG22 THR A 9 40.533 33.445 42.542 1.00 0.00 H new ATOM 0 HG23 THR A 9 40.160 35.103 42.016 1.00 0.00 H new ATOM 149 N LYS A 10 40.540 32.793 45.766 1.00 0.00 N ATOM 150 CA LYS A 10 40.257 31.349 45.876 1.00 0.00 C ATOM 151 C LYS A 10 39.465 31.109 47.225 1.00 0.00 C ATOM 152 O LYS A 10 40.117 30.983 48.252 1.00 0.00 O ATOM 153 CB LYS A 10 41.616 30.607 45.885 1.00 0.00 C ATOM 154 CG LYS A 10 42.443 30.641 44.573 1.00 0.00 C ATOM 155 CD LYS A 10 41.787 29.969 43.346 1.00 0.00 C ATOM 156 CE LYS A 10 42.771 29.946 42.165 1.00 0.00 C ATOM 157 NZ LYS A 10 42.237 29.193 40.943 1.00 0.00 N ATOM 0 H LYS A 10 41.307 33.093 46.368 1.00 0.00 H new ATOM 0 HA LYS A 10 39.654 30.981 45.046 1.00 0.00 H new ATOM 0 HB2 LYS A 10 42.228 31.029 46.683 1.00 0.00 H new ATOM 0 HB3 LYS A 10 41.431 29.564 46.143 1.00 0.00 H new ATOM 0 HG2 LYS A 10 42.652 31.682 44.325 1.00 0.00 H new ATOM 0 HG3 LYS A 10 43.403 30.158 44.758 1.00 0.00 H new ATOM 0 HD2 LYS A 10 41.485 28.952 43.597 1.00 0.00 H new ATOM 0 HD3 LYS A 10 40.883 30.510 43.066 1.00 0.00 H new ATOM 0 HE2 LYS A 10 43.006 30.971 41.877 1.00 0.00 H new ATOM 0 HE3 LYS A 10 43.704 29.484 42.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 42.948 29.215 40.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 42.038 28.206 41.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 41.362 29.646 40.611 1.00 0.00 H new ATOM 171 N PRO A 11 38.067 30.932 47.240 1.00 0.00 N ATOM 172 CA PRO A 11 37.346 30.808 48.545 1.00 0.00 C ATOM 173 C PRO A 11 37.084 29.380 49.205 1.00 0.00 C ATOM 174 O PRO A 11 36.535 29.418 50.307 1.00 0.00 O ATOM 175 CB PRO A 11 36.071 31.678 48.406 1.00 0.00 C ATOM 176 CG PRO A 11 35.833 31.757 46.893 1.00 0.00 C ATOM 177 CD PRO A 11 37.259 31.762 46.346 1.00 0.00 C ATOM 0 HA PRO A 11 38.046 31.156 49.305 1.00 0.00 H new ATOM 0 HB2 PRO A 11 35.222 31.226 48.920 1.00 0.00 H new ATOM 0 HB3 PRO A 11 36.215 32.668 48.839 1.00 0.00 H new ATOM 0 HG2 PRO A 11 35.258 30.907 46.526 1.00 0.00 H new ATOM 0 HG3 PRO A 11 35.286 32.657 46.613 1.00 0.00 H new ATOM 0 HD2 PRO A 11 37.283 31.369 45.330 1.00 0.00 H new ATOM 0 HD3 PRO A 11 37.652 32.778 46.304 1.00 0.00 H new ATOM 185 N PRO A 12 37.590 28.164 48.718 1.00 0.00 N ATOM 186 CA PRO A 12 37.208 26.894 49.384 1.00 0.00 C ATOM 187 C PRO A 12 37.907 26.329 50.676 1.00 0.00 C ATOM 188 O PRO A 12 37.258 25.493 51.309 1.00 0.00 O ATOM 189 CB PRO A 12 37.523 25.820 48.320 1.00 0.00 C ATOM 190 CG PRO A 12 37.199 26.504 46.992 1.00 0.00 C ATOM 191 CD PRO A 12 37.588 27.962 47.264 1.00 0.00 C ATOM 0 HA PRO A 12 36.201 27.115 49.737 1.00 0.00 H new ATOM 0 HB2 PRO A 12 38.567 25.509 48.364 1.00 0.00 H new ATOM 0 HB3 PRO A 12 36.918 24.925 48.466 1.00 0.00 H new ATOM 0 HG2 PRO A 12 37.771 26.079 46.167 1.00 0.00 H new ATOM 0 HG3 PRO A 12 36.145 26.407 46.733 1.00 0.00 H new ATOM 0 HD2 PRO A 12 38.572 28.179 46.847 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.882 28.641 46.785 1.00 0.00 H new ATOM 199 N THR A 13 39.197 26.671 51.087 1.00 0.00 N ATOM 200 CA THR A 13 39.792 25.967 52.246 1.00 0.00 C ATOM 201 C THR A 13 39.435 26.576 53.639 1.00 0.00 C ATOM 202 O THR A 13 39.366 27.783 53.865 1.00 0.00 O ATOM 203 CB THR A 13 41.340 25.814 52.214 1.00 0.00 C ATOM 204 OG1 THR A 13 42.082 27.033 52.246 1.00 0.00 O ATOM 205 CG2 THR A 13 41.849 25.014 51.005 1.00 0.00 C ATOM 0 H THR A 13 39.786 27.381 50.651 1.00 0.00 H new ATOM 0 HA THR A 13 39.327 24.988 52.133 1.00 0.00 H new ATOM 0 HB THR A 13 41.520 25.274 53.144 1.00 0.00 H new ATOM 0 HG1 THR A 13 41.899 27.549 51.433 1.00 0.00 H new ATOM 0 HG21 THR A 13 42.936 24.946 51.045 1.00 0.00 H new ATOM 0 HG22 THR A 13 41.422 24.012 51.026 1.00 0.00 H new ATOM 0 HG23 THR A 13 41.551 25.516 50.085 1.00 0.00 H new ATOM 213 N THR A 14 39.325 25.626 54.635 1.00 0.00 N ATOM 214 CA THR A 14 39.012 25.923 56.025 1.00 0.00 C ATOM 215 C THR A 14 39.979 25.102 56.922 1.00 0.00 C ATOM 216 O THR A 14 40.255 23.923 56.698 1.00 0.00 O ATOM 217 CB THR A 14 37.571 25.611 56.416 1.00 0.00 C ATOM 218 OG1 THR A 14 37.182 24.244 56.253 1.00 0.00 O ATOM 219 CG2 THR A 14 36.579 26.476 55.618 1.00 0.00 C ATOM 0 H THR A 14 39.459 24.630 54.459 1.00 0.00 H new ATOM 0 HA THR A 14 39.135 26.997 56.164 1.00 0.00 H new ATOM 0 HB THR A 14 37.537 25.838 57.482 1.00 0.00 H new ATOM 0 HG1 THR A 14 36.248 24.135 56.528 1.00 0.00 H new ATOM 0 HG21 THR A 14 35.560 26.232 55.918 1.00 0.00 H new ATOM 0 HG22 THR A 14 36.773 27.530 55.817 1.00 0.00 H new ATOM 0 HG23 THR A 14 36.700 26.280 54.553 1.00 0.00 H new ATOM 227 N GLU A 15 40.487 25.785 58.008 1.00 0.00 N ATOM 228 CA GLU A 15 41.513 25.194 58.874 1.00 0.00 C ATOM 229 C GLU A 15 40.765 24.572 60.092 1.00 0.00 C ATOM 230 O GLU A 15 40.356 25.233 61.045 1.00 0.00 O ATOM 231 CB GLU A 15 42.605 26.194 59.301 1.00 0.00 C ATOM 232 CG GLU A 15 43.493 26.677 58.132 1.00 0.00 C ATOM 233 CD GLU A 15 44.517 27.710 58.596 1.00 0.00 C ATOM 234 OE1 GLU A 15 44.361 28.529 59.483 1.00 0.00 O ATOM 235 OE2 GLU A 15 45.643 27.626 57.888 1.00 0.00 O ATOM 0 H GLU A 15 40.194 26.724 58.280 1.00 0.00 H new ATOM 0 HA GLU A 15 42.064 24.430 58.326 1.00 0.00 H new ATOM 0 HB2 GLU A 15 42.132 27.058 59.768 1.00 0.00 H new ATOM 0 HB3 GLU A 15 43.237 25.728 60.058 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.009 25.825 57.690 1.00 0.00 H new ATOM 0 HG3 GLU A 15 42.866 27.110 57.352 1.00 0.00 H new ATOM 243 N THR A 16 40.610 23.198 60.016 1.00 0.00 N ATOM 244 CA THR A 16 40.061 22.357 61.095 1.00 0.00 C ATOM 245 C THR A 16 41.340 22.169 61.980 1.00 0.00 C ATOM 246 O THR A 16 42.095 21.209 61.855 1.00 0.00 O ATOM 247 CB THR A 16 39.452 21.045 60.534 1.00 0.00 C ATOM 248 OG1 THR A 16 38.339 21.389 59.697 1.00 0.00 O ATOM 249 CG2 THR A 16 39.003 20.032 61.596 1.00 0.00 C ATOM 0 H THR A 16 40.872 22.663 59.188 1.00 0.00 H new ATOM 0 HA THR A 16 39.222 22.773 61.652 1.00 0.00 H new ATOM 0 HB THR A 16 40.247 20.545 59.981 1.00 0.00 H new ATOM 0 HG1 THR A 16 37.940 20.572 59.331 1.00 0.00 H new ATOM 0 HG21 THR A 16 38.592 19.149 61.106 1.00 0.00 H new ATOM 0 HG22 THR A 16 39.858 19.743 62.207 1.00 0.00 H new ATOM 0 HG23 THR A 16 38.240 20.484 62.230 1.00 0.00 H new ATOM 257 N CYS A 17 41.568 23.181 62.903 1.00 0.00 N ATOM 258 CA CYS A 17 42.866 23.391 63.560 1.00 0.00 C ATOM 259 C CYS A 17 42.824 23.210 65.107 1.00 0.00 C ATOM 260 O CYS A 17 41.815 23.391 65.787 1.00 0.00 O ATOM 261 CB CYS A 17 43.306 24.815 63.244 1.00 0.00 C ATOM 262 SG CYS A 17 45.036 25.222 63.597 1.00 0.00 S ATOM 0 H CYS A 17 40.851 23.848 63.189 1.00 0.00 H new ATOM 0 HA CYS A 17 43.558 22.638 63.183 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.120 25.003 62.187 1.00 0.00 H new ATOM 0 HB3 CYS A 17 42.672 25.501 63.806 1.00 0.00 H new ATOM 267 N GLN A 18 44.056 22.904 65.644 1.00 0.00 N ATOM 268 CA GLN A 18 44.275 22.521 67.039 1.00 0.00 C ATOM 269 C GLN A 18 44.736 23.695 67.970 1.00 0.00 C ATOM 270 O GLN A 18 44.998 23.429 69.145 1.00 0.00 O ATOM 271 CB GLN A 18 45.265 21.339 67.103 1.00 0.00 C ATOM 272 CG GLN A 18 44.770 20.053 66.398 1.00 0.00 C ATOM 273 CD GLN A 18 45.652 18.855 66.732 1.00 0.00 C ATOM 274 OE1 GLN A 18 46.410 18.334 65.936 1.00 0.00 O ATOM 275 NE2 GLN A 18 45.519 18.397 67.999 1.00 0.00 N ATOM 0 H GLN A 18 44.915 22.924 65.094 1.00 0.00 H new ATOM 0 HA GLN A 18 43.304 22.219 67.432 1.00 0.00 H new ATOM 0 HB2 GLN A 18 46.209 21.646 66.652 1.00 0.00 H new ATOM 0 HB3 GLN A 18 45.471 21.110 68.148 1.00 0.00 H new ATOM 0 HG2 GLN A 18 43.743 19.845 66.699 1.00 0.00 H new ATOM 0 HG3 GLN A 18 44.761 20.209 65.319 1.00 0.00 H new ATOM 0 HE21 GLN A 18 44.874 18.856 68.642 1.00 0.00 H new ATOM 0 HE22 GLN A 18 46.063 17.593 68.310 1.00 0.00 H new ATOM 284 N GLU A 19 44.814 25.009 67.520 1.00 0.00 N ATOM 285 CA GLU A 19 45.316 26.056 68.424 1.00 0.00 C ATOM 286 C GLU A 19 44.185 26.534 69.416 1.00 0.00 C ATOM 287 O GLU A 19 43.023 26.662 69.041 1.00 0.00 O ATOM 288 CB GLU A 19 45.816 27.288 67.632 1.00 0.00 C ATOM 289 CG GLU A 19 46.855 27.028 66.514 1.00 0.00 C ATOM 290 CD GLU A 19 48.076 26.297 67.038 1.00 0.00 C ATOM 291 OE1 GLU A 19 48.275 25.093 66.958 1.00 0.00 O ATOM 292 OE2 GLU A 19 48.948 27.130 67.596 1.00 0.00 O ATOM 0 H GLU A 19 44.546 25.326 66.588 1.00 0.00 H new ATOM 0 HA GLU A 19 46.143 25.620 68.984 1.00 0.00 H new ATOM 0 HB2 GLU A 19 44.951 27.777 67.184 1.00 0.00 H new ATOM 0 HB3 GLU A 19 46.250 27.994 68.341 1.00 0.00 H new ATOM 0 HG2 GLU A 19 46.394 26.442 65.719 1.00 0.00 H new ATOM 0 HG3 GLU A 19 47.161 27.977 66.074 1.00 0.00 H new ATOM 300 N ASP A 20 44.621 26.896 70.685 1.00 0.00 N ATOM 301 CA ASP A 20 43.870 27.443 71.838 1.00 0.00 C ATOM 302 C ASP A 20 43.120 28.797 71.510 1.00 0.00 C ATOM 303 O ASP A 20 42.469 29.367 72.388 1.00 0.00 O ATOM 304 CB ASP A 20 43.105 26.546 72.837 1.00 0.00 C ATOM 305 CG ASP A 20 41.731 25.993 72.419 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.755 25.051 71.622 1.00 0.00 O ATOM 307 OD2 ASP A 20 40.740 26.573 72.875 1.00 0.00 O ATOM 0 H ASP A 20 45.607 26.792 70.924 1.00 0.00 H new ATOM 0 HA ASP A 20 44.737 27.620 72.475 1.00 0.00 H new ATOM 0 HB2 ASP A 20 43.745 25.697 73.079 1.00 0.00 H new ATOM 0 HB3 ASP A 20 42.968 27.115 73.757 1.00 0.00 H new ATOM 312 N SER A 21 43.282 29.382 70.267 1.00 0.00 N ATOM 313 CA SER A 21 42.666 30.649 69.924 1.00 0.00 C ATOM 314 C SER A 21 42.643 30.793 68.365 1.00 0.00 C ATOM 315 O SER A 21 43.531 30.313 67.655 1.00 0.00 O ATOM 316 CB SER A 21 43.397 31.873 70.545 1.00 0.00 C ATOM 317 OG SER A 21 42.882 33.160 70.215 1.00 0.00 O ATOM 0 H SER A 21 43.837 28.971 69.516 1.00 0.00 H new ATOM 0 HA SER A 21 41.657 30.643 70.336 1.00 0.00 H new ATOM 0 HB2 SER A 21 43.378 31.767 71.630 1.00 0.00 H new ATOM 0 HB3 SER A 21 44.443 31.836 70.239 1.00 0.00 H new ATOM 0 HG SER A 21 41.906 33.112 70.138 1.00 0.00 H new ATOM 323 N CYS A 22 41.559 31.464 67.814 1.00 0.00 N ATOM 324 CA CYS A 22 41.575 31.808 66.403 1.00 0.00 C ATOM 325 C CYS A 22 41.011 33.226 66.159 1.00 0.00 C ATOM 326 O CYS A 22 40.226 33.776 66.930 1.00 0.00 O ATOM 327 CB CYS A 22 40.873 30.805 65.451 1.00 0.00 C ATOM 328 SG CYS A 22 39.098 31.059 65.180 1.00 0.00 S ATOM 0 H CYS A 22 40.723 31.748 68.325 1.00 0.00 H new ATOM 0 HA CYS A 22 42.634 31.765 66.148 1.00 0.00 H new ATOM 0 HB2 CYS A 22 41.375 30.843 64.484 1.00 0.00 H new ATOM 0 HB3 CYS A 22 41.018 29.800 65.847 1.00 0.00 H new ATOM 333 N TYR A 23 41.455 33.797 64.990 1.00 0.00 N ATOM 334 CA TYR A 23 41.194 35.198 64.682 1.00 0.00 C ATOM 335 C TYR A 23 40.376 35.404 63.385 1.00 0.00 C ATOM 336 O TYR A 23 40.466 34.627 62.439 1.00 0.00 O ATOM 337 CB TYR A 23 42.551 35.961 64.589 1.00 0.00 C ATOM 338 CG TYR A 23 43.513 35.472 63.521 1.00 0.00 C ATOM 339 CD1 TYR A 23 43.491 36.012 62.238 1.00 0.00 C ATOM 340 CD2 TYR A 23 44.507 34.536 63.803 1.00 0.00 C ATOM 341 CE1 TYR A 23 44.457 35.698 61.295 1.00 0.00 C ATOM 342 CE2 TYR A 23 45.461 34.171 62.861 1.00 0.00 C ATOM 343 CZ TYR A 23 45.463 34.760 61.594 1.00 0.00 C ATOM 344 OH TYR A 23 46.376 34.455 60.631 1.00 0.00 O ATOM 0 H TYR A 23 41.983 33.297 64.275 1.00 0.00 H new ATOM 0 HA TYR A 23 40.581 35.597 65.491 1.00 0.00 H new ATOM 0 HB2 TYR A 23 42.342 37.015 64.407 1.00 0.00 H new ATOM 0 HB3 TYR A 23 43.049 35.897 65.556 1.00 0.00 H new ATOM 0 HD1 TYR A 23 42.699 36.695 61.970 1.00 0.00 H new ATOM 0 HD2 TYR A 23 44.536 34.081 64.782 1.00 0.00 H new ATOM 0 HE1 TYR A 23 44.438 36.175 60.326 1.00 0.00 H new ATOM 0 HE2 TYR A 23 46.205 33.428 63.109 1.00 0.00 H new ATOM 0 HH TYR A 23 47.010 33.794 60.979 1.00 0.00 H new ATOM 354 N LYS A 24 39.565 36.528 63.402 1.00 0.00 N ATOM 355 CA LYS A 24 38.733 37.023 62.293 1.00 0.00 C ATOM 356 C LYS A 24 39.422 38.363 61.875 1.00 0.00 C ATOM 357 O LYS A 24 39.387 39.391 62.552 1.00 0.00 O ATOM 358 CB LYS A 24 37.244 37.265 62.615 1.00 0.00 C ATOM 359 CG LYS A 24 36.363 37.583 61.386 1.00 0.00 C ATOM 360 CD LYS A 24 34.910 37.904 61.783 1.00 0.00 C ATOM 361 CE LYS A 24 33.906 38.089 60.627 1.00 0.00 C ATOM 362 NZ LYS A 24 32.592 37.368 60.954 1.00 0.00 N ATOM 0 H LYS A 24 39.489 37.117 64.231 1.00 0.00 H new ATOM 0 HA LYS A 24 38.688 36.263 61.513 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.845 36.381 63.112 1.00 0.00 H new ATOM 0 HB3 LYS A 24 37.168 38.090 63.323 1.00 0.00 H new ATOM 0 HG2 LYS A 24 36.787 38.430 60.846 1.00 0.00 H new ATOM 0 HG3 LYS A 24 36.373 36.733 60.704 1.00 0.00 H new ATOM 0 HD2 LYS A 24 34.547 37.102 62.425 1.00 0.00 H new ATOM 0 HD3 LYS A 24 34.913 38.815 62.381 1.00 0.00 H new ATOM 0 HE2 LYS A 24 33.718 39.150 60.464 1.00 0.00 H new ATOM 0 HE3 LYS A 24 34.327 37.694 59.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 31.795 37.894 60.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.615 36.407 60.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 32.473 37.314 61.986 1.00 0.00 H new ATOM 376 N ASN A 25 40.052 38.322 60.652 1.00 0.00 N ATOM 377 CA ASN A 25 40.824 39.427 60.068 1.00 0.00 C ATOM 378 C ASN A 25 39.994 39.825 58.779 1.00 0.00 C ATOM 379 O ASN A 25 39.840 39.025 57.857 1.00 0.00 O ATOM 380 CB ASN A 25 42.231 38.932 59.771 1.00 0.00 C ATOM 381 CG ASN A 25 43.073 40.017 59.157 1.00 0.00 C ATOM 382 OD1 ASN A 25 42.756 40.252 57.877 1.00 0.00 O flip ATOM 383 ND2 ASN A 25 43.939 40.641 59.737 1.00 0.00 N flip ATOM 0 H ASN A 25 40.024 37.498 60.052 1.00 0.00 H new ATOM 0 HA ASN A 25 40.955 40.297 60.712 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.698 38.583 60.692 1.00 0.00 H new ATOM 0 HB3 ASN A 25 42.184 38.079 59.095 1.00 0.00 H new ATOM 0 HD21 ASN A 25 44.151 40.432 60.713 1.00 0.00 H new ATOM 0 HD22 ASN A 25 44.454 41.374 59.248 1.00 0.00 H new ATOM 390 N ILE A 26 39.446 41.102 58.727 1.00 0.00 N ATOM 391 CA ILE A 26 38.391 41.550 57.771 1.00 0.00 C ATOM 392 C ILE A 26 38.779 42.757 56.830 1.00 0.00 C ATOM 393 O ILE A 26 37.963 43.290 56.081 1.00 0.00 O ATOM 394 CB ILE A 26 37.132 41.916 58.600 1.00 0.00 C ATOM 395 CG1 ILE A 26 37.208 43.092 59.614 1.00 0.00 C ATOM 396 CG2 ILE A 26 36.641 40.698 59.405 1.00 0.00 C ATOM 397 CD1 ILE A 26 37.643 44.479 59.128 1.00 0.00 C ATOM 0 H ILE A 26 39.740 41.843 59.363 1.00 0.00 H new ATOM 0 HA ILE A 26 38.224 40.720 57.085 1.00 0.00 H new ATOM 0 HB ILE A 26 36.462 42.250 57.808 1.00 0.00 H new ATOM 0 HG12 ILE A 26 36.222 43.198 60.066 1.00 0.00 H new ATOM 0 HG13 ILE A 26 37.892 42.795 60.409 1.00 0.00 H new ATOM 0 HG21 ILE A 26 35.757 40.974 59.980 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.390 39.887 58.721 1.00 0.00 H new ATOM 0 HG23 ILE A 26 37.428 40.370 60.084 1.00 0.00 H new ATOM 0 HD11 ILE A 26 37.639 45.176 59.966 1.00 0.00 H new ATOM 0 HD12 ILE A 26 38.648 44.419 58.710 1.00 0.00 H new ATOM 0 HD13 ILE A 26 36.952 44.829 58.362 1.00 0.00 H new ATOM 409 N TRP A 27 40.092 43.146 56.896 1.00 0.00 N ATOM 410 CA TRP A 27 40.784 44.346 56.388 1.00 0.00 C ATOM 411 C TRP A 27 41.835 43.803 55.350 1.00 0.00 C ATOM 412 O TRP A 27 41.597 43.763 54.147 1.00 0.00 O ATOM 413 CB TRP A 27 41.454 45.219 57.544 1.00 0.00 C ATOM 414 CG TRP A 27 41.378 44.574 58.908 1.00 0.00 C ATOM 415 CD1 TRP A 27 41.697 43.210 59.115 1.00 0.00 C ATOM 416 CD2 TRP A 27 40.929 45.002 60.157 1.00 0.00 C ATOM 417 NE1 TRP A 27 41.349 42.757 60.349 1.00 0.00 N ATOM 418 CE2 TRP A 27 40.888 43.887 61.004 1.00 0.00 C ATOM 419 CE3 TRP A 27 40.461 46.234 60.682 1.00 0.00 C ATOM 420 CZ2 TRP A 27 40.397 43.878 62.269 1.00 0.00 C ATOM 421 CZ3 TRP A 27 39.984 46.274 61.985 1.00 0.00 C ATOM 422 CH2 TRP A 27 39.943 45.104 62.773 1.00 0.00 C ATOM 0 H TRP A 27 40.761 42.539 57.369 1.00 0.00 H new ATOM 0 HA TRP A 27 40.082 45.039 55.924 1.00 0.00 H new ATOM 0 HB2 TRP A 27 42.500 45.398 57.293 1.00 0.00 H new ATOM 0 HB3 TRP A 27 40.965 46.192 57.583 1.00 0.00 H new ATOM 0 HD1 TRP A 27 42.170 42.591 58.367 1.00 0.00 H new ATOM 0 HE1 TRP A 27 41.413 41.805 60.709 1.00 0.00 H new ATOM 0 HE3 TRP A 27 40.476 47.128 60.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 40.358 42.973 62.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 39.641 47.210 62.400 1.00 0.00 H new ATOM 0 HH2 TRP A 27 39.556 45.154 63.780 1.00 0.00 H new ATOM 433 N THR A 28 43.034 43.367 55.892 1.00 0.00 N ATOM 434 CA THR A 28 44.183 42.798 55.180 1.00 0.00 C ATOM 435 C THR A 28 44.911 43.963 54.420 1.00 0.00 C ATOM 436 O THR A 28 45.934 44.459 54.882 1.00 0.00 O ATOM 437 CB THR A 28 44.012 41.572 54.246 1.00 0.00 C ATOM 438 OG1 THR A 28 45.258 41.059 53.764 1.00 0.00 O ATOM 439 CG2 THR A 28 43.218 40.408 54.838 1.00 0.00 C ATOM 0 H THR A 28 43.204 43.419 56.896 1.00 0.00 H new ATOM 0 HA THR A 28 44.759 42.343 55.986 1.00 0.00 H new ATOM 0 HB THR A 28 43.430 41.987 53.423 1.00 0.00 H new ATOM 0 HG1 THR A 28 45.492 41.504 52.923 1.00 0.00 H new ATOM 0 HG21 THR A 28 43.155 39.602 54.107 1.00 0.00 H new ATOM 0 HG22 THR A 28 43.718 40.046 55.736 1.00 0.00 H new ATOM 0 HG23 THR A 28 42.213 40.745 55.093 1.00 0.00 H new ATOM 447 N PHE A 29 44.371 44.351 53.204 1.00 0.00 N ATOM 448 CA PHE A 29 44.989 45.335 52.327 1.00 0.00 C ATOM 449 C PHE A 29 44.030 45.448 51.100 1.00 0.00 C ATOM 450 O PHE A 29 43.524 46.513 50.761 1.00 0.00 O ATOM 451 CB PHE A 29 46.402 45.008 51.819 1.00 0.00 C ATOM 452 CG PHE A 29 46.998 46.257 51.221 1.00 0.00 C ATOM 453 CD1 PHE A 29 47.620 47.190 52.056 1.00 0.00 C ATOM 454 CD2 PHE A 29 46.908 46.544 49.858 1.00 0.00 C ATOM 455 CE1 PHE A 29 48.125 48.388 51.556 1.00 0.00 C ATOM 456 CE2 PHE A 29 47.407 47.739 49.340 1.00 0.00 C ATOM 457 CZ PHE A 29 48.013 48.673 50.190 1.00 0.00 C ATOM 0 H PHE A 29 43.498 43.971 52.838 1.00 0.00 H new ATOM 0 HA PHE A 29 45.123 46.250 52.903 1.00 0.00 H new ATOM 0 HB2 PHE A 29 47.024 44.646 52.638 1.00 0.00 H new ATOM 0 HB3 PHE A 29 46.362 44.213 51.074 1.00 0.00 H new ATOM 0 HD1 PHE A 29 47.711 46.977 53.111 1.00 0.00 H new ATOM 0 HD2 PHE A 29 46.445 45.829 49.194 1.00 0.00 H new ATOM 0 HE1 PHE A 29 48.601 49.094 52.220 1.00 0.00 H new ATOM 0 HE2 PHE A 29 47.326 47.944 48.283 1.00 0.00 H new ATOM 0 HZ PHE A 29 48.390 49.605 49.795 1.00 0.00 H new ATOM 467 N ASP A 30 43.783 44.244 50.472 1.00 0.00 N ATOM 468 CA ASP A 30 42.884 43.915 49.382 1.00 0.00 C ATOM 469 C ASP A 30 41.367 44.007 49.807 1.00 0.00 C ATOM 470 O ASP A 30 40.504 43.630 49.014 1.00 0.00 O ATOM 471 CB ASP A 30 43.279 42.525 48.834 1.00 0.00 C ATOM 472 CG ASP A 30 43.512 41.347 49.834 1.00 0.00 C ATOM 473 OD1 ASP A 30 44.160 41.612 50.854 1.00 0.00 O ATOM 474 OD2 ASP A 30 43.080 40.245 49.480 1.00 0.00 O ATOM 0 H ASP A 30 44.283 43.409 50.778 1.00 0.00 H new ATOM 0 HA ASP A 30 42.987 44.651 48.584 1.00 0.00 H new ATOM 0 HB2 ASP A 30 42.501 42.214 48.137 1.00 0.00 H new ATOM 0 HB3 ASP A 30 44.194 42.649 48.255 1.00 0.00 H new ATOM 479 N ASN A 31 41.012 44.552 51.037 1.00 0.00 N ATOM 480 CA ASN A 31 39.653 44.792 51.522 1.00 0.00 C ATOM 481 C ASN A 31 38.948 43.405 51.533 1.00 0.00 C ATOM 482 O ASN A 31 37.970 43.194 50.817 1.00 0.00 O ATOM 483 CB ASN A 31 38.922 45.922 50.773 1.00 0.00 C ATOM 484 CG ASN A 31 39.837 47.141 50.700 1.00 0.00 C ATOM 485 OD1 ASN A 31 40.111 47.825 51.671 1.00 0.00 O ATOM 486 ND2 ASN A 31 40.346 47.392 49.473 1.00 0.00 N ATOM 0 H ASN A 31 41.718 44.835 51.717 1.00 0.00 H new ATOM 0 HA ASN A 31 39.651 45.194 52.535 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.650 45.594 49.770 1.00 0.00 H new ATOM 0 HB3 ASN A 31 37.995 46.177 51.287 1.00 0.00 H new ATOM 0 HD21 ASN A 31 40.983 48.177 49.336 1.00 0.00 H new ATOM 0 HD22 ASN A 31 40.093 46.797 48.684 1.00 0.00 H new ATOM 493 N ILE A 32 39.440 42.470 52.439 1.00 0.00 N ATOM 494 CA ILE A 32 38.952 41.092 52.381 1.00 0.00 C ATOM 495 C ILE A 32 38.939 40.358 53.763 1.00 0.00 C ATOM 496 O ILE A 32 39.597 40.756 54.721 1.00 0.00 O ATOM 497 CB ILE A 32 39.788 40.228 51.390 1.00 0.00 C ATOM 498 CG1 ILE A 32 39.027 39.109 50.653 1.00 0.00 C ATOM 499 CG2 ILE A 32 41.020 39.629 52.103 1.00 0.00 C ATOM 500 CD1 ILE A 32 37.739 39.534 49.930 1.00 0.00 C ATOM 0 H ILE A 32 40.132 42.661 53.164 1.00 0.00 H new ATOM 0 HA ILE A 32 37.922 41.190 52.038 1.00 0.00 H new ATOM 0 HB ILE A 32 40.081 40.932 50.611 1.00 0.00 H new ATOM 0 HG12 ILE A 32 39.699 38.660 49.922 1.00 0.00 H new ATOM 0 HG13 ILE A 32 38.776 38.332 51.374 1.00 0.00 H new ATOM 0 HG21 ILE A 32 41.593 39.028 51.397 1.00 0.00 H new ATOM 0 HG22 ILE A 32 41.646 40.435 52.486 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.691 39.000 52.931 1.00 0.00 H new ATOM 0 HD11 ILE A 32 37.289 38.666 49.448 1.00 0.00 H new ATOM 0 HD12 ILE A 32 37.038 39.952 50.652 1.00 0.00 H new ATOM 0 HD13 ILE A 32 37.976 40.286 49.177 1.00 0.00 H new ATOM 512 N ILE A 33 38.187 39.194 53.798 1.00 0.00 N ATOM 513 CA ILE A 33 38.032 38.377 55.017 1.00 0.00 C ATOM 514 C ILE A 33 38.950 37.119 54.815 1.00 0.00 C ATOM 515 O ILE A 33 38.568 36.126 54.202 1.00 0.00 O ATOM 516 CB ILE A 33 36.581 38.022 55.366 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.631 39.251 55.461 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.518 37.163 56.651 1.00 0.00 C ATOM 519 CD1 ILE A 33 35.123 39.797 54.110 1.00 0.00 C ATOM 0 H ILE A 33 37.691 38.823 52.988 1.00 0.00 H new ATOM 0 HA ILE A 33 38.340 38.952 55.890 1.00 0.00 H new ATOM 0 HB ILE A 33 36.209 37.434 54.527 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.770 38.978 56.071 1.00 0.00 H new ATOM 0 HG13 ILE A 33 36.152 40.052 55.986 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.479 36.924 56.878 1.00 0.00 H new ATOM 0 HG22 ILE A 33 37.078 36.240 56.500 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.952 37.719 57.482 1.00 0.00 H new ATOM 0 HD11 ILE A 33 34.469 40.651 54.286 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.972 40.109 53.501 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.569 39.017 53.588 1.00 0.00 H new ATOM 531 N ARG A 34 40.221 37.170 55.362 1.00 0.00 N ATOM 532 CA ARG A 34 41.215 36.098 55.162 1.00 0.00 C ATOM 533 C ARG A 34 41.928 35.965 56.532 1.00 0.00 C ATOM 534 O ARG A 34 42.549 36.895 57.044 1.00 0.00 O ATOM 535 CB ARG A 34 42.187 36.447 54.035 1.00 0.00 C ATOM 536 CG ARG A 34 43.217 35.378 53.626 1.00 0.00 C ATOM 537 CD ARG A 34 43.565 35.512 52.128 1.00 0.00 C ATOM 538 NE ARG A 34 44.216 36.726 51.586 1.00 0.00 N ATOM 539 CZ ARG A 34 44.574 37.843 52.197 1.00 0.00 C ATOM 540 NH1 ARG A 34 45.070 37.849 53.405 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.457 38.969 51.557 1.00 0.00 N ATOM 0 H ARG A 34 40.556 37.944 55.936 1.00 0.00 H new ATOM 0 HA ARG A 34 40.758 35.157 54.857 1.00 0.00 H new ATOM 0 HB2 ARG A 34 41.600 36.703 53.153 1.00 0.00 H new ATOM 0 HB3 ARG A 34 42.732 37.344 54.327 1.00 0.00 H new ATOM 0 HG2 ARG A 34 44.120 35.485 54.227 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.818 34.384 53.826 1.00 0.00 H new ATOM 0 HD2 ARG A 34 44.209 34.669 51.877 1.00 0.00 H new ATOM 0 HD3 ARG A 34 42.635 35.378 51.575 1.00 0.00 H new ATOM 0 HE ARG A 34 44.420 36.696 50.587 1.00 0.00 H new ATOM 0 HH11 ARG A 34 45.193 36.971 53.910 1.00 0.00 H new ATOM 0 HH12 ARG A 34 45.335 38.731 53.843 1.00 0.00 H new ATOM 0 HH21 ARG A 34 44.095 38.978 50.603 1.00 0.00 H new ATOM 0 HH22 ARG A 34 44.727 39.843 52.009 1.00 0.00 H new ATOM 555 N ARG A 35 41.806 34.728 57.154 1.00 0.00 N ATOM 556 CA ARG A 35 42.013 34.642 58.592 1.00 0.00 C ATOM 557 C ARG A 35 42.516 33.246 59.069 1.00 0.00 C ATOM 558 O ARG A 35 42.954 32.449 58.242 1.00 0.00 O ATOM 559 CB ARG A 35 40.711 35.198 59.233 1.00 0.00 C ATOM 560 CG ARG A 35 39.355 34.476 58.949 1.00 0.00 C ATOM 561 CD ARG A 35 38.904 33.355 59.927 1.00 0.00 C ATOM 562 NE ARG A 35 38.054 33.741 61.097 1.00 0.00 N ATOM 563 CZ ARG A 35 36.727 33.747 61.116 1.00 0.00 C ATOM 564 NH1 ARG A 35 36.019 33.908 60.031 1.00 0.00 N ATOM 565 NH2 ARG A 35 36.085 33.600 62.245 1.00 0.00 N ATOM 0 H ARG A 35 41.579 33.851 56.686 1.00 0.00 H new ATOM 0 HA ARG A 35 42.849 35.251 58.935 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.856 35.211 60.313 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.604 36.235 58.913 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.572 35.234 58.926 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.410 34.045 57.950 1.00 0.00 H new ATOM 0 HD2 ARG A 35 38.358 32.609 59.350 1.00 0.00 H new ATOM 0 HD3 ARG A 35 39.800 32.868 60.312 1.00 0.00 H new ATOM 0 HE ARG A 35 38.535 34.023 61.951 1.00 0.00 H new ATOM 0 HH11 ARG A 35 36.485 34.034 59.132 1.00 0.00 H new ATOM 0 HH12 ARG A 35 35.000 33.907 60.082 1.00 0.00 H new ATOM 0 HH21 ARG A 35 36.604 33.480 63.115 1.00 0.00 H new ATOM 0 HH22 ARG A 35 35.065 33.605 62.256 1.00 0.00 H new ATOM 579 N GLY A 36 42.566 32.991 60.439 1.00 0.00 N ATOM 580 CA GLY A 36 43.192 31.702 60.774 1.00 0.00 C ATOM 581 C GLY A 36 43.306 31.292 62.250 1.00 0.00 C ATOM 582 O GLY A 36 42.969 32.055 63.146 1.00 0.00 O ATOM 0 H GLY A 36 42.229 33.578 61.202 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.634 30.921 60.257 1.00 0.00 H new ATOM 0 HA3 GLY A 36 44.198 31.706 60.355 1.00 0.00 H new ATOM 586 N CYS A 37 43.834 30.026 62.468 1.00 0.00 N ATOM 587 CA CYS A 37 44.071 29.502 63.825 1.00 0.00 C ATOM 588 C CYS A 37 45.452 30.066 64.303 1.00 0.00 C ATOM 589 O CYS A 37 46.522 29.650 63.865 1.00 0.00 O ATOM 590 CB CYS A 37 44.014 27.952 63.929 1.00 0.00 C ATOM 591 SG CYS A 37 44.975 27.065 62.662 1.00 0.00 S ATOM 0 H CYS A 37 44.090 29.382 61.720 1.00 0.00 H new ATOM 0 HA CYS A 37 43.261 29.835 64.474 1.00 0.00 H new ATOM 0 HB2 CYS A 37 44.376 27.655 64.913 1.00 0.00 H new ATOM 0 HB3 CYS A 37 42.973 27.636 63.863 1.00 0.00 H new ATOM 596 N GLY A 38 45.402 31.144 65.188 1.00 0.00 N ATOM 597 CA GLY A 38 46.659 31.671 65.708 1.00 0.00 C ATOM 598 C GLY A 38 46.302 32.703 66.819 1.00 0.00 C ATOM 599 O GLY A 38 45.679 32.398 67.832 1.00 0.00 O ATOM 0 H GLY A 38 44.554 31.608 65.513 1.00 0.00 H new ATOM 0 HA2 GLY A 38 47.275 30.868 66.113 1.00 0.00 H new ATOM 0 HA3 GLY A 38 47.235 32.145 64.914 1.00 0.00 H new ATOM 603 N CYS A 39 46.708 34.007 66.586 1.00 0.00 N ATOM 604 CA CYS A 39 46.306 35.081 67.496 1.00 0.00 C ATOM 605 C CYS A 39 47.259 35.141 68.739 1.00 0.00 C ATOM 606 O CYS A 39 48.477 35.266 68.620 1.00 0.00 O ATOM 607 CB CYS A 39 46.277 36.442 66.799 1.00 0.00 C ATOM 608 SG CYS A 39 45.504 37.771 67.790 1.00 0.00 S ATOM 0 H CYS A 39 47.289 34.301 65.801 1.00 0.00 H new ATOM 0 HA CYS A 39 45.294 34.853 67.829 1.00 0.00 H new ATOM 0 HB2 CYS A 39 47.298 36.734 66.553 1.00 0.00 H new ATOM 0 HB3 CYS A 39 45.737 36.345 65.857 1.00 0.00 H new ATOM 613 N PHE A 40 46.659 35.093 69.989 1.00 0.00 N ATOM 614 CA PHE A 40 47.408 35.146 71.251 1.00 0.00 C ATOM 615 C PHE A 40 48.075 36.563 71.447 1.00 0.00 C ATOM 616 O PHE A 40 49.103 36.692 72.111 1.00 0.00 O ATOM 617 CB PHE A 40 48.394 33.985 71.515 1.00 0.00 C ATOM 618 CG PHE A 40 47.785 32.605 71.334 1.00 0.00 C ATOM 619 CD1 PHE A 40 47.105 31.958 72.370 1.00 0.00 C ATOM 620 CD2 PHE A 40 47.923 31.924 70.119 1.00 0.00 C ATOM 621 CE1 PHE A 40 46.582 30.675 72.203 1.00 0.00 C ATOM 622 CE2 PHE A 40 47.406 30.643 69.934 1.00 0.00 C ATOM 623 CZ PHE A 40 46.741 30.007 70.984 1.00 0.00 C ATOM 0 H PHE A 40 45.650 35.017 70.118 1.00 0.00 H new ATOM 0 HA PHE A 40 46.654 34.994 72.024 1.00 0.00 H new ATOM 0 HB2 PHE A 40 49.246 34.086 70.843 1.00 0.00 H new ATOM 0 HB3 PHE A 40 48.777 34.071 72.532 1.00 0.00 H new ATOM 0 HD1 PHE A 40 46.982 32.461 73.318 1.00 0.00 H new ATOM 0 HD2 PHE A 40 48.444 32.404 69.303 1.00 0.00 H new ATOM 0 HE1 PHE A 40 46.054 30.197 73.015 1.00 0.00 H new ATOM 0 HE2 PHE A 40 47.519 30.145 68.983 1.00 0.00 H new ATOM 0 HZ PHE A 40 46.352 29.007 70.856 1.00 0.00 H new ATOM 735 N GLY A 48 47.088 43.640 65.392 1.00 0.00 N ATOM 736 CA GLY A 48 46.454 42.343 65.157 1.00 0.00 C ATOM 737 C GLY A 48 44.942 42.442 64.809 1.00 0.00 C ATOM 738 O GLY A 48 44.290 43.461 65.023 1.00 0.00 O ATOM 0 HA2 GLY A 48 46.973 41.837 64.343 1.00 0.00 H new ATOM 0 HA3 GLY A 48 46.574 41.723 66.046 1.00 0.00 H new ATOM 742 N PRO A 49 44.394 41.273 64.312 1.00 0.00 N ATOM 743 CA PRO A 49 42.959 41.090 64.045 1.00 0.00 C ATOM 744 C PRO A 49 42.191 40.794 65.367 1.00 0.00 C ATOM 745 O PRO A 49 42.810 40.582 66.408 1.00 0.00 O ATOM 746 CB PRO A 49 42.938 39.852 63.141 1.00 0.00 C ATOM 747 CG PRO A 49 44.097 39.018 63.687 1.00 0.00 C ATOM 748 CD PRO A 49 45.158 40.075 63.962 1.00 0.00 C ATOM 0 HA PRO A 49 42.488 41.968 63.602 1.00 0.00 H new ATOM 0 HB2 PRO A 49 41.989 39.319 63.206 1.00 0.00 H new ATOM 0 HB3 PRO A 49 43.085 40.113 62.093 1.00 0.00 H new ATOM 0 HG2 PRO A 49 43.818 38.477 64.591 1.00 0.00 H new ATOM 0 HG3 PRO A 49 44.440 38.276 62.965 1.00 0.00 H new ATOM 0 HD2 PRO A 49 45.819 39.773 64.775 1.00 0.00 H new ATOM 0 HD3 PRO A 49 45.786 40.245 63.087 1.00 0.00 H new ATOM 756 N TYR A 50 40.796 40.802 65.328 1.00 0.00 N ATOM 757 CA TYR A 50 40.110 40.479 66.595 1.00 0.00 C ATOM 758 C TYR A 50 40.316 38.931 66.809 1.00 0.00 C ATOM 759 O TYR A 50 40.088 38.123 65.907 1.00 0.00 O ATOM 760 CB TYR A 50 38.616 40.953 66.807 1.00 0.00 C ATOM 761 CG TYR A 50 37.507 40.051 66.296 1.00 0.00 C ATOM 762 CD1 TYR A 50 37.272 38.804 66.875 1.00 0.00 C ATOM 763 CD2 TYR A 50 36.599 40.486 65.332 1.00 0.00 C ATOM 764 CE1 TYR A 50 36.230 37.982 66.471 1.00 0.00 C ATOM 765 CE2 TYR A 50 35.522 39.705 64.947 1.00 0.00 C ATOM 766 CZ TYR A 50 35.332 38.421 65.497 1.00 0.00 C ATOM 767 OH TYR A 50 34.287 37.671 65.056 1.00 0.00 O ATOM 0 H TYR A 50 40.208 41.007 64.520 1.00 0.00 H new ATOM 0 HA TYR A 50 40.571 41.090 67.371 1.00 0.00 H new ATOM 0 HB2 TYR A 50 38.461 41.102 67.876 1.00 0.00 H new ATOM 0 HB3 TYR A 50 38.503 41.926 66.330 1.00 0.00 H new ATOM 0 HD1 TYR A 50 37.925 38.466 67.666 1.00 0.00 H new ATOM 0 HD2 TYR A 50 36.739 41.454 64.875 1.00 0.00 H new ATOM 0 HE1 TYR A 50 36.114 37.002 66.910 1.00 0.00 H new ATOM 0 HE2 TYR A 50 34.821 40.083 64.218 1.00 0.00 H new ATOM 0 HH TYR A 50 34.326 36.782 65.466 1.00 0.00 H new ATOM 777 N CYS A 51 40.792 38.514 68.048 1.00 0.00 N ATOM 778 CA CYS A 51 41.183 37.111 68.312 1.00 0.00 C ATOM 779 C CYS A 51 40.350 36.571 69.533 1.00 0.00 C ATOM 780 O CYS A 51 40.287 37.160 70.610 1.00 0.00 O ATOM 781 CB CYS A 51 42.703 36.965 68.526 1.00 0.00 C ATOM 782 SG CYS A 51 43.555 37.851 67.184 1.00 0.00 S ATOM 0 H CYS A 51 40.903 39.136 68.849 1.00 0.00 H new ATOM 0 HA CYS A 51 40.954 36.504 67.436 1.00 0.00 H new ATOM 0 HB2 CYS A 51 42.991 37.374 69.494 1.00 0.00 H new ATOM 0 HB3 CYS A 51 42.987 35.913 68.527 1.00 0.00 H new ATOM 787 N CYS A 52 39.687 35.378 69.313 1.00 0.00 N ATOM 788 CA CYS A 52 38.744 34.725 70.236 1.00 0.00 C ATOM 789 C CYS A 52 39.153 33.257 70.599 1.00 0.00 C ATOM 790 O CYS A 52 40.094 32.726 70.016 1.00 0.00 O ATOM 791 CB CYS A 52 37.397 34.733 69.527 1.00 0.00 C ATOM 792 SG CYS A 52 35.977 34.167 70.491 1.00 0.00 S ATOM 0 H CYS A 52 39.815 34.846 68.452 1.00 0.00 H new ATOM 0 HA CYS A 52 38.726 35.263 71.184 1.00 0.00 H new ATOM 0 HB2 CYS A 52 37.196 35.749 69.187 1.00 0.00 H new ATOM 0 HB3 CYS A 52 37.476 34.109 68.637 1.00 0.00 H new ATOM 797 N GLU A 53 38.419 32.588 71.564 1.00 0.00 N ATOM 798 CA GLU A 53 38.770 31.211 71.977 1.00 0.00 C ATOM 799 C GLU A 53 37.491 30.318 71.960 1.00 0.00 C ATOM 800 O GLU A 53 37.173 29.616 72.915 1.00 0.00 O ATOM 801 CB GLU A 53 39.601 31.166 73.276 1.00 0.00 C ATOM 802 CG GLU A 53 39.008 31.858 74.521 1.00 0.00 C ATOM 803 CD GLU A 53 40.023 31.846 75.666 1.00 0.00 C ATOM 804 OE1 GLU A 53 41.171 32.242 75.598 1.00 0.00 O ATOM 805 OE2 GLU A 53 39.489 31.374 76.790 1.00 0.00 O ATOM 0 H GLU A 53 37.610 32.982 72.044 1.00 0.00 H new ATOM 0 HA GLU A 53 39.454 30.777 71.248 1.00 0.00 H new ATOM 0 HB2 GLU A 53 39.781 30.120 73.525 1.00 0.00 H new ATOM 0 HB3 GLU A 53 40.572 31.616 73.071 1.00 0.00 H new ATOM 0 HG2 GLU A 53 38.734 32.885 74.279 1.00 0.00 H new ATOM 0 HG3 GLU A 53 38.095 31.348 74.829 1.00 0.00 H new ATOM 813 N SER A 54 36.821 30.278 70.751 1.00 0.00 N ATOM 814 CA SER A 54 35.597 29.506 70.529 1.00 0.00 C ATOM 815 C SER A 54 35.530 29.059 69.030 1.00 0.00 C ATOM 816 O SER A 54 36.150 29.662 68.155 1.00 0.00 O ATOM 817 CB SER A 54 34.301 30.282 70.898 1.00 0.00 C ATOM 818 OG SER A 54 33.066 29.647 70.578 1.00 0.00 O ATOM 0 H SER A 54 37.136 30.787 69.925 1.00 0.00 H new ATOM 0 HA SER A 54 35.644 28.642 71.192 1.00 0.00 H new ATOM 0 HB2 SER A 54 34.315 30.479 71.970 1.00 0.00 H new ATOM 0 HB3 SER A 54 34.328 31.249 70.395 1.00 0.00 H new ATOM 0 HG SER A 54 32.322 30.221 70.855 1.00 0.00 H new ATOM 824 N ASP A 55 34.769 27.931 68.757 1.00 0.00 N ATOM 825 CA ASP A 55 34.587 27.458 67.377 1.00 0.00 C ATOM 826 C ASP A 55 33.785 28.572 66.597 1.00 0.00 C ATOM 827 O ASP A 55 32.753 29.070 67.045 1.00 0.00 O ATOM 828 CB ASP A 55 33.855 26.105 67.367 1.00 0.00 C ATOM 829 CG ASP A 55 33.523 25.654 65.930 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.462 25.678 65.123 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.346 25.357 65.713 1.00 0.00 O ATOM 0 H ASP A 55 34.298 27.369 69.467 1.00 0.00 H new ATOM 0 HA ASP A 55 35.547 27.293 66.888 1.00 0.00 H new ATOM 0 HB2 ASP A 55 34.475 25.351 67.852 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.935 26.183 67.947 1.00 0.00 H new ATOM 836 N LYS A 56 34.337 28.982 65.384 1.00 0.00 N ATOM 837 CA LYS A 56 33.871 30.049 64.493 1.00 0.00 C ATOM 838 C LYS A 56 34.193 31.416 65.171 1.00 0.00 C ATOM 839 O LYS A 56 35.012 32.190 64.680 1.00 0.00 O ATOM 840 CB LYS A 56 32.419 30.008 63.968 1.00 0.00 C ATOM 841 CG LYS A 56 31.942 28.606 63.535 1.00 0.00 C ATOM 842 CD LYS A 56 32.802 27.883 62.485 1.00 0.00 C ATOM 843 CE LYS A 56 32.282 26.477 62.164 1.00 0.00 C ATOM 844 NZ LYS A 56 32.571 25.567 63.374 1.00 0.00 N ATOM 0 H LYS A 56 35.170 28.525 65.012 1.00 0.00 H new ATOM 0 HA LYS A 56 34.420 29.888 63.565 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.753 30.382 64.745 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.332 30.687 63.120 1.00 0.00 H new ATOM 0 HG2 LYS A 56 31.885 27.976 64.422 1.00 0.00 H new ATOM 0 HG3 LYS A 56 30.929 28.696 63.143 1.00 0.00 H new ATOM 0 HD2 LYS A 56 32.826 28.475 61.570 1.00 0.00 H new ATOM 0 HD3 LYS A 56 33.828 27.813 62.847 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.212 26.506 61.957 1.00 0.00 H new ATOM 0 HE3 LYS A 56 32.769 26.087 61.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 32.448 24.572 63.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 33.548 25.719 63.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 31.912 25.796 64.145 1.00 0.00 H new ATOM 858 N CYS A 57 33.471 31.693 66.312 1.00 0.00 N ATOM 859 CA CYS A 57 33.555 32.885 67.134 1.00 0.00 C ATOM 860 C CYS A 57 33.131 34.077 66.222 1.00 0.00 C ATOM 861 O CYS A 57 33.890 35.003 65.949 1.00 0.00 O ATOM 862 CB CYS A 57 34.826 33.095 67.960 1.00 0.00 C ATOM 863 SG CYS A 57 34.635 34.586 68.991 1.00 0.00 S ATOM 0 H CYS A 57 32.785 31.031 66.675 1.00 0.00 H new ATOM 0 HA CYS A 57 32.868 32.776 67.973 1.00 0.00 H new ATOM 0 HB2 CYS A 57 35.012 32.225 68.590 1.00 0.00 H new ATOM 0 HB3 CYS A 57 35.688 33.202 67.301 1.00 0.00 H new ATOM 868 N ASN A 58 31.801 34.025 65.825 1.00 0.00 N ATOM 869 CA ASN A 58 31.049 35.104 65.182 1.00 0.00 C ATOM 870 C ASN A 58 31.424 35.227 63.667 1.00 0.00 C ATOM 871 O ASN A 58 31.834 36.281 63.187 1.00 0.00 O ATOM 872 CB ASN A 58 31.081 36.406 65.997 1.00 0.00 C ATOM 873 CG ASN A 58 29.960 37.334 65.554 1.00 0.00 C ATOM 874 OD1 ASN A 58 28.783 37.038 65.648 1.00 0.00 O ATOM 875 ND2 ASN A 58 30.368 38.525 65.068 1.00 0.00 N ATOM 0 H ASN A 58 31.234 33.188 65.963 1.00 0.00 H new ATOM 0 HA ASN A 58 29.990 34.845 65.179 1.00 0.00 H new ATOM 0 HB2 ASN A 58 30.978 36.181 67.059 1.00 0.00 H new ATOM 0 HB3 ASN A 58 32.044 36.900 65.868 1.00 0.00 H new ATOM 0 HD21 ASN A 58 29.680 39.214 64.764 1.00 0.00 H new ATOM 0 HD22 ASN A 58 31.364 38.736 65.005 1.00 0.00 H new ATOM 882 N LEU A 59 31.166 34.090 62.921 1.00 0.00 N ATOM 883 CA LEU A 59 31.289 33.885 61.460 1.00 0.00 C ATOM 884 C LEU A 59 32.829 33.930 61.104 1.00 0.00 C ATOM 885 O LEU A 59 33.254 34.943 60.537 1.00 0.00 O ATOM 886 CB LEU A 59 30.361 34.745 60.582 1.00 0.00 C ATOM 887 CG LEU A 59 30.243 34.283 59.105 1.00 0.00 C ATOM 888 CD1 LEU A 59 29.737 32.832 58.999 1.00 0.00 C ATOM 889 CD2 LEU A 59 29.315 35.212 58.305 1.00 0.00 C ATOM 890 OXT LEU A 59 33.470 32.920 61.421 1.00 0.00 O ATOM 0 H LEU A 59 30.843 33.239 63.381 1.00 0.00 H new ATOM 0 HA LEU A 59 30.898 32.901 61.200 1.00 0.00 H new ATOM 0 HB2 LEU A 59 29.366 34.749 61.026 1.00 0.00 H new ATOM 0 HB3 LEU A 59 30.721 35.774 60.598 1.00 0.00 H new ATOM 0 HG LEU A 59 31.246 34.330 58.680 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.668 32.546 57.949 1.00 0.00 H new ATOM 0 HD12 LEU A 59 30.431 32.166 59.511 1.00 0.00 H new ATOM 0 HD13 LEU A 59 28.753 32.755 59.461 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.252 34.863 57.274 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.321 35.206 58.752 1.00 0.00 H new ATOM 0 HD23 LEU A 59 29.714 36.226 58.321 1.00 0.00 H new