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 5 ASN : amide:sc= 0 K(o=-0.39,f=-1.6) USER MOD Set 1.2: A 6 HIS : no HD1:sc= -1.75 K(o=-0.39,f=-4) USER MOD Set 1.3: A 13 THR OG1 : rot -28:sc= 1.36 USER MOD Single : A 1 ARG N :NH3+ -162:sc= 2.28 (180deg=1.59) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.196 USER MOD Single : A 9 THR OG1 : rot 8:sc= 0.431 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 -127:sc= 1.33 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -146:sc= -2.45! (180deg=-7.14!) USER MOD Single : A 25 ASN :FLIP amide:sc= -1.73 F(o=-5!,f=-1.7) USER MOD Single : A 28 THR OG1 : rot 110:sc= 0.248 USER MOD Single : A 31 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.32) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0114 USER MOD Single : A 56 LYS NZ :NH3+ -129:sc= -2.91! (180deg=-8.07!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 41.741 25.235 67.763 1.00 0.00 N ATOM 2 CA ARG A 1 40.329 24.877 67.260 1.00 0.00 C ATOM 3 C ARG A 1 40.350 25.031 65.708 1.00 0.00 C ATOM 4 O ARG A 1 41.327 25.566 65.190 1.00 0.00 O ATOM 5 CB ARG A 1 39.287 25.801 67.949 1.00 0.00 C ATOM 6 CG ARG A 1 37.854 25.250 68.201 1.00 0.00 C ATOM 7 CD ARG A 1 37.742 23.824 68.781 1.00 0.00 C ATOM 8 NE ARG A 1 38.712 23.389 69.830 1.00 0.00 N ATOM 9 CZ ARG A 1 38.754 23.772 71.099 1.00 0.00 C ATOM 10 NH1 ARG A 1 37.928 24.661 71.581 1.00 0.00 N ATOM 11 NH2 ARG A 1 39.610 23.192 71.903 1.00 0.00 N ATOM 0 H1 ARG A 1 41.871 24.864 68.726 1.00 0.00 H new ATOM 0 H2 ARG A 1 42.452 24.814 67.131 1.00 0.00 H new ATOM 0 H3 ARG A 1 41.855 26.269 67.772 1.00 0.00 H new ATOM 0 HA ARG A 1 40.043 23.855 67.509 1.00 0.00 H new ATOM 0 HB2 ARG A 1 39.699 26.104 68.912 1.00 0.00 H new ATOM 0 HB3 ARG A 1 39.193 26.703 67.344 1.00 0.00 H new ATOM 0 HG2 ARG A 1 37.343 25.933 68.880 1.00 0.00 H new ATOM 0 HG3 ARG A 1 37.311 25.275 67.256 1.00 0.00 H new ATOM 0 HD2 ARG A 1 36.740 23.715 69.195 1.00 0.00 H new ATOM 0 HD3 ARG A 1 37.821 23.124 67.949 1.00 0.00 H new ATOM 0 HE ARG A 1 39.424 22.720 69.537 1.00 0.00 H new ATOM 0 HH11 ARG A 1 37.223 25.083 70.976 1.00 0.00 H new ATOM 0 HH12 ARG A 1 37.987 24.933 72.562 1.00 0.00 H new ATOM 0 HH21 ARG A 1 40.227 22.461 71.549 1.00 0.00 H new ATOM 0 HH22 ARG A 1 39.659 23.471 72.883 1.00 0.00 H new ATOM 27 N ILE A 2 39.291 24.533 64.951 1.00 0.00 N ATOM 28 CA ILE A 2 39.321 24.639 63.470 1.00 0.00 C ATOM 29 C ILE A 2 38.620 25.993 63.101 1.00 0.00 C ATOM 30 O ILE A 2 37.429 26.184 63.358 1.00 0.00 O ATOM 31 CB ILE A 2 38.629 23.539 62.614 1.00 0.00 C ATOM 32 CG1 ILE A 2 39.075 22.082 62.899 1.00 0.00 C ATOM 33 CG2 ILE A 2 38.778 23.857 61.099 1.00 0.00 C ATOM 34 CD1 ILE A 2 38.435 21.434 64.140 1.00 0.00 C ATOM 0 H ILE A 2 38.461 24.083 65.337 1.00 0.00 H new ATOM 0 HA ILE A 2 40.378 24.541 63.224 1.00 0.00 H new ATOM 0 HB ILE A 2 37.583 23.575 62.917 1.00 0.00 H new ATOM 0 HG12 ILE A 2 38.842 21.470 62.028 1.00 0.00 H new ATOM 0 HG13 ILE A 2 40.158 22.067 63.018 1.00 0.00 H new ATOM 0 HG21 ILE A 2 38.289 23.078 60.514 1.00 0.00 H new ATOM 0 HG22 ILE A 2 38.314 24.819 60.882 1.00 0.00 H new ATOM 0 HG23 ILE A 2 39.836 23.897 60.838 1.00 0.00 H new ATOM 0 HD11 ILE A 2 38.810 20.417 64.254 1.00 0.00 H new ATOM 0 HD12 ILE A 2 38.689 22.016 65.026 1.00 0.00 H new ATOM 0 HD13 ILE A 2 37.352 21.410 64.020 1.00 0.00 H new ATOM 46 N CYS A 3 39.367 26.957 62.437 1.00 0.00 N ATOM 47 CA CYS A 3 38.712 28.176 61.968 1.00 0.00 C ATOM 48 C CYS A 3 39.283 28.564 60.559 1.00 0.00 C ATOM 49 O CYS A 3 40.429 28.296 60.207 1.00 0.00 O ATOM 50 CB CYS A 3 38.738 29.367 62.955 1.00 0.00 C ATOM 51 SG CYS A 3 38.843 28.778 64.690 1.00 0.00 S ATOM 0 H CYS A 3 40.365 26.892 62.239 1.00 0.00 H new ATOM 0 HA CYS A 3 37.650 27.942 61.890 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.590 30.010 62.733 1.00 0.00 H new ATOM 0 HB3 CYS A 3 37.840 29.971 62.826 1.00 0.00 H new ATOM 56 N TYR A 4 38.393 29.211 59.721 1.00 0.00 N ATOM 57 CA TYR A 4 38.693 29.454 58.309 1.00 0.00 C ATOM 58 C TYR A 4 39.835 30.488 58.075 1.00 0.00 C ATOM 59 O TYR A 4 40.062 31.350 58.915 1.00 0.00 O ATOM 60 CB TYR A 4 37.448 30.080 57.633 1.00 0.00 C ATOM 61 CG TYR A 4 36.109 29.481 58.024 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.436 29.934 59.160 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.465 28.533 57.239 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.156 29.513 59.471 1.00 0.00 C ATOM 65 CE2 TYR A 4 34.181 28.095 57.529 1.00 0.00 C ATOM 66 CZ TYR A 4 33.482 28.612 58.623 1.00 0.00 C ATOM 67 OH TYR A 4 32.187 28.289 58.894 1.00 0.00 O ATOM 0 H TYR A 4 37.482 29.558 60.021 1.00 0.00 H new ATOM 0 HA TYR A 4 38.989 28.487 57.903 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.429 31.145 57.865 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.562 29.991 56.553 1.00 0.00 H new ATOM 0 HD1 TYR A 4 35.930 30.635 59.816 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.978 28.126 56.380 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.672 29.876 60.366 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.717 27.347 56.903 1.00 0.00 H new ATOM 0 HH TYR A 4 31.859 27.658 58.219 1.00 0.00 H new ATOM 77 N ASN A 5 40.511 30.450 56.861 1.00 0.00 N ATOM 78 CA ASN A 5 41.446 31.543 56.515 1.00 0.00 C ATOM 79 C ASN A 5 41.197 31.969 55.038 1.00 0.00 C ATOM 80 O ASN A 5 42.133 32.371 54.355 1.00 0.00 O ATOM 81 CB ASN A 5 42.939 31.267 56.822 1.00 0.00 C ATOM 82 CG ASN A 5 43.546 30.094 56.048 1.00 0.00 C ATOM 83 OD1 ASN A 5 42.932 29.118 55.658 1.00 0.00 O ATOM 84 ND2 ASN A 5 44.876 30.213 55.837 1.00 0.00 N ATOM 0 H ASN A 5 40.420 29.713 56.162 1.00 0.00 H new ATOM 0 HA ASN A 5 41.224 32.375 57.183 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.513 32.167 56.601 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.047 31.075 57.889 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.382 29.477 55.344 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.374 31.038 56.171 1.00 0.00 H new ATOM 91 N HIS A 6 39.878 31.947 54.590 1.00 0.00 N ATOM 92 CA HIS A 6 39.468 31.976 53.195 1.00 0.00 C ATOM 93 C HIS A 6 39.522 33.359 52.451 1.00 0.00 C ATOM 94 O HIS A 6 39.948 34.359 53.012 1.00 0.00 O ATOM 95 CB HIS A 6 40.056 30.747 52.405 1.00 0.00 C ATOM 96 CG HIS A 6 41.482 30.898 51.990 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.372 29.814 51.907 1.00 0.00 N ATOM 98 CD2 HIS A 6 42.219 31.951 51.521 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.562 30.173 51.436 1.00 0.00 C ATOM 100 NE2 HIS A 6 43.479 31.486 51.183 1.00 0.00 N ATOM 0 H HIS A 6 39.087 31.908 55.233 1.00 0.00 H new ATOM 0 HA HIS A 6 38.386 31.851 53.220 1.00 0.00 H new ATOM 0 HB2 HIS A 6 39.965 29.856 53.026 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.449 30.580 51.516 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.876 32.971 51.430 1.00 0.00 H new ATOM 0 HE1 HIS A 6 44.421 29.536 51.287 1.00 0.00 H new ATOM 0 HE2 HIS A 6 44.231 32.058 50.799 1.00 0.00 H new ATOM 109 N LEU A 7 39.009 33.386 51.163 1.00 0.00 N ATOM 110 CA LEU A 7 38.829 34.597 50.363 1.00 0.00 C ATOM 111 C LEU A 7 40.162 35.292 49.904 1.00 0.00 C ATOM 112 O LEU A 7 41.245 34.714 49.924 1.00 0.00 O ATOM 113 CB LEU A 7 37.805 35.580 50.978 1.00 0.00 C ATOM 114 CG LEU A 7 36.395 35.030 51.297 1.00 0.00 C ATOM 115 CD1 LEU A 7 35.476 36.200 51.682 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.787 34.288 50.099 1.00 0.00 C ATOM 0 H LEU A 7 38.715 32.540 50.675 1.00 0.00 H new ATOM 0 HA LEU A 7 38.388 34.241 49.432 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.229 35.975 51.901 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.692 36.421 50.294 1.00 0.00 H new ATOM 0 HG LEU A 7 36.487 34.322 52.120 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.480 35.821 51.908 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.880 36.706 52.559 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.416 36.904 50.852 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.797 33.918 50.365 1.00 0.00 H new ATOM 0 HD22 LEU A 7 35.704 34.970 49.253 1.00 0.00 H new ATOM 0 HD23 LEU A 7 36.428 33.449 49.828 1.00 0.00 H new ATOM 128 N GLY A 8 39.999 36.544 49.330 1.00 0.00 N ATOM 129 CA GLY A 8 41.111 37.320 48.772 1.00 0.00 C ATOM 130 C GLY A 8 41.359 36.963 47.298 1.00 0.00 C ATOM 131 O GLY A 8 41.491 37.830 46.439 1.00 0.00 O ATOM 0 H GLY A 8 39.095 37.011 49.256 1.00 0.00 H new ATOM 0 HA2 GLY A 8 40.893 38.385 48.859 1.00 0.00 H new ATOM 0 HA3 GLY A 8 42.015 37.131 49.351 1.00 0.00 H new ATOM 135 N THR A 9 41.512 35.617 47.052 1.00 0.00 N ATOM 136 CA THR A 9 41.851 35.063 45.748 1.00 0.00 C ATOM 137 C THR A 9 41.467 33.558 45.737 1.00 0.00 C ATOM 138 O THR A 9 40.997 33.056 44.717 1.00 0.00 O ATOM 139 CB THR A 9 43.357 35.192 45.381 1.00 0.00 C ATOM 140 OG1 THR A 9 43.742 36.553 45.162 1.00 0.00 O ATOM 141 CG2 THR A 9 43.792 34.447 44.111 1.00 0.00 C ATOM 0 H THR A 9 41.397 34.907 47.775 1.00 0.00 H new ATOM 0 HA THR A 9 41.296 35.638 45.007 1.00 0.00 H new ATOM 0 HB THR A 9 43.842 34.746 46.249 1.00 0.00 H new ATOM 0 HG1 THR A 9 43.003 37.146 45.413 1.00 0.00 H new ATOM 0 HG21 THR A 9 44.858 34.602 43.946 1.00 0.00 H new ATOM 0 HG22 THR A 9 43.594 33.382 44.228 1.00 0.00 H new ATOM 0 HG23 THR A 9 43.233 34.828 43.256 1.00 0.00 H new ATOM 149 N LYS A 10 41.679 32.828 46.895 1.00 0.00 N ATOM 150 CA LYS A 10 41.366 31.380 46.997 1.00 0.00 C ATOM 151 C LYS A 10 40.252 31.179 48.106 1.00 0.00 C ATOM 152 O LYS A 10 40.540 31.377 49.279 1.00 0.00 O ATOM 153 CB LYS A 10 42.585 30.496 47.355 1.00 0.00 C ATOM 154 CG LYS A 10 43.763 30.424 46.347 1.00 0.00 C ATOM 155 CD LYS A 10 43.420 29.971 44.908 1.00 0.00 C ATOM 156 CE LYS A 10 44.671 29.954 44.011 1.00 0.00 C ATOM 157 NZ LYS A 10 44.395 29.334 42.636 1.00 0.00 N ATOM 0 H LYS A 10 42.061 33.230 47.751 1.00 0.00 H new ATOM 0 HA LYS A 10 41.028 31.063 46.010 1.00 0.00 H new ATOM 0 HB2 LYS A 10 42.983 30.848 48.307 1.00 0.00 H new ATOM 0 HB3 LYS A 10 42.223 29.481 47.517 1.00 0.00 H new ATOM 0 HG2 LYS A 10 44.225 31.410 46.292 1.00 0.00 H new ATOM 0 HG3 LYS A 10 44.513 29.743 46.748 1.00 0.00 H new ATOM 0 HD2 LYS A 10 42.976 28.976 44.934 1.00 0.00 H new ATOM 0 HD3 LYS A 10 42.674 30.642 44.482 1.00 0.00 H new ATOM 0 HE2 LYS A 10 45.035 30.973 43.881 1.00 0.00 H new ATOM 0 HE3 LYS A 10 45.463 29.393 44.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 45.267 29.345 42.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 44.073 28.353 42.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 43.658 29.883 42.149 1.00 0.00 H new ATOM 171 N PRO A 11 38.983 30.676 47.771 1.00 0.00 N ATOM 172 CA PRO A 11 37.965 30.472 48.845 1.00 0.00 C ATOM 173 C PRO A 11 37.926 29.117 49.679 1.00 0.00 C ATOM 174 O PRO A 11 37.301 29.165 50.739 1.00 0.00 O ATOM 175 CB PRO A 11 36.599 30.696 48.169 1.00 0.00 C ATOM 176 CG PRO A 11 36.944 31.719 47.084 1.00 0.00 C ATOM 177 CD PRO A 11 38.283 31.179 46.578 1.00 0.00 C ATOM 0 HA PRO A 11 38.249 31.175 49.628 1.00 0.00 H new ATOM 0 HB2 PRO A 11 36.196 29.775 47.748 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.856 31.078 48.868 1.00 0.00 H new ATOM 0 HG2 PRO A 11 36.191 31.753 46.297 1.00 0.00 H new ATOM 0 HG3 PRO A 11 37.033 32.729 47.484 1.00 0.00 H new ATOM 0 HD2 PRO A 11 38.134 30.385 45.847 1.00 0.00 H new ATOM 0 HD3 PRO A 11 38.860 31.961 46.085 1.00 0.00 H new ATOM 185 N PRO A 12 38.653 27.974 49.331 1.00 0.00 N ATOM 186 CA PRO A 12 38.483 26.695 50.065 1.00 0.00 C ATOM 187 C PRO A 12 39.230 26.279 51.380 1.00 0.00 C ATOM 188 O PRO A 12 38.736 25.310 51.965 1.00 0.00 O ATOM 189 CB PRO A 12 38.981 25.648 49.045 1.00 0.00 C ATOM 190 CG PRO A 12 38.492 26.209 47.714 1.00 0.00 C ATOM 191 CD PRO A 12 38.807 27.691 47.900 1.00 0.00 C ATOM 0 HA PRO A 12 37.457 26.787 50.421 1.00 0.00 H new ATOM 0 HB2 PRO A 12 40.066 25.547 49.067 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.565 24.660 49.244 1.00 0.00 H new ATOM 0 HG2 PRO A 12 39.020 25.777 46.864 1.00 0.00 H new ATOM 0 HG3 PRO A 12 37.429 26.029 47.554 1.00 0.00 H new ATOM 0 HD2 PRO A 12 39.820 27.917 47.567 1.00 0.00 H new ATOM 0 HD3 PRO A 12 38.132 28.308 47.308 1.00 0.00 H new ATOM 199 N THR A 13 40.379 26.888 51.881 1.00 0.00 N ATOM 200 CA THR A 13 41.048 26.277 53.060 1.00 0.00 C ATOM 201 C THR A 13 40.654 26.851 54.459 1.00 0.00 C ATOM 202 O THR A 13 40.261 27.998 54.648 1.00 0.00 O ATOM 203 CB THR A 13 42.606 26.185 52.991 1.00 0.00 C ATOM 204 OG1 THR A 13 43.325 27.414 53.067 1.00 0.00 O ATOM 205 CG2 THR A 13 43.084 25.409 51.750 1.00 0.00 C ATOM 0 H THR A 13 40.815 27.731 51.508 1.00 0.00 H new ATOM 0 HA THR A 13 40.635 25.271 52.979 1.00 0.00 H new ATOM 0 HB THR A 13 42.842 25.645 53.908 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.769 28.141 52.717 1.00 0.00 H new ATOM 0 HG21 THR A 13 44.173 25.370 51.743 1.00 0.00 H new ATOM 0 HG22 THR A 13 42.685 24.395 51.779 1.00 0.00 H new ATOM 0 HG23 THR A 13 42.733 25.912 50.849 1.00 0.00 H new ATOM 213 N THR A 14 40.865 25.939 55.470 1.00 0.00 N ATOM 214 CA THR A 14 40.631 26.151 56.889 1.00 0.00 C ATOM 215 C THR A 14 41.875 25.669 57.683 1.00 0.00 C ATOM 216 O THR A 14 42.584 24.735 57.305 1.00 0.00 O ATOM 217 CB THR A 14 39.382 25.423 57.398 1.00 0.00 C ATOM 218 OG1 THR A 14 39.394 24.000 57.244 1.00 0.00 O ATOM 219 CG2 THR A 14 38.116 25.954 56.701 1.00 0.00 C ATOM 0 H THR A 14 41.219 25.003 55.276 1.00 0.00 H new ATOM 0 HA THR A 14 40.462 27.217 57.041 1.00 0.00 H new ATOM 0 HB THR A 14 39.381 25.632 58.468 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.560 23.626 57.597 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.243 25.422 57.079 1.00 0.00 H new ATOM 0 HG22 THR A 14 38.008 27.019 56.905 1.00 0.00 H new ATOM 0 HG23 THR A 14 38.200 25.797 55.626 1.00 0.00 H new ATOM 227 N GLU A 15 42.095 26.333 58.868 1.00 0.00 N ATOM 228 CA GLU A 15 43.286 26.082 59.685 1.00 0.00 C ATOM 229 C GLU A 15 42.846 25.100 60.811 1.00 0.00 C ATOM 230 O GLU A 15 42.205 25.499 61.783 1.00 0.00 O ATOM 231 CB GLU A 15 43.831 27.400 60.267 1.00 0.00 C ATOM 232 CG GLU A 15 44.188 28.445 59.188 1.00 0.00 C ATOM 233 CD GLU A 15 44.850 29.649 59.836 1.00 0.00 C ATOM 234 OE1 GLU A 15 44.323 30.394 60.648 1.00 0.00 O ATOM 235 OE2 GLU A 15 46.098 29.816 59.411 1.00 0.00 O ATOM 0 H GLU A 15 41.460 27.031 59.254 1.00 0.00 H new ATOM 0 HA GLU A 15 44.093 25.650 59.093 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.088 27.825 60.942 1.00 0.00 H new ATOM 0 HB3 GLU A 15 44.718 27.186 60.863 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.857 28.004 58.449 1.00 0.00 H new ATOM 0 HG3 GLU A 15 43.288 28.755 58.657 1.00 0.00 H new ATOM 243 N THR A 16 43.203 23.759 60.665 1.00 0.00 N ATOM 244 CA THR A 16 43.031 22.831 61.803 1.00 0.00 C ATOM 245 C THR A 16 44.192 23.291 62.740 1.00 0.00 C ATOM 246 O THR A 16 45.362 22.972 62.520 1.00 0.00 O ATOM 247 CB THR A 16 43.125 21.305 61.534 1.00 0.00 C ATOM 248 OG1 THR A 16 42.005 20.919 60.734 1.00 0.00 O ATOM 249 CG2 THR A 16 43.158 20.499 62.845 1.00 0.00 C ATOM 0 H THR A 16 43.586 23.344 59.815 1.00 0.00 H new ATOM 0 HA THR A 16 42.011 22.898 62.183 1.00 0.00 H new ATOM 0 HB THR A 16 44.055 21.091 61.008 1.00 0.00 H new ATOM 0 HG1 THR A 16 42.049 19.957 60.552 1.00 0.00 H new ATOM 0 HG21 THR A 16 43.224 19.435 62.617 1.00 0.00 H new ATOM 0 HG22 THR A 16 44.025 20.798 63.434 1.00 0.00 H new ATOM 0 HG23 THR A 16 42.249 20.692 63.414 1.00 0.00 H new ATOM 257 N CYS A 17 43.841 24.062 63.840 1.00 0.00 N ATOM 258 CA CYS A 17 44.879 24.773 64.598 1.00 0.00 C ATOM 259 C CYS A 17 44.927 24.365 66.095 1.00 0.00 C ATOM 260 O CYS A 17 43.937 24.052 66.760 1.00 0.00 O ATOM 261 CB CYS A 17 44.641 26.269 64.499 1.00 0.00 C ATOM 262 SG CYS A 17 46.052 27.308 64.961 1.00 0.00 S ATOM 0 H CYS A 17 42.889 24.186 64.185 1.00 0.00 H new ATOM 0 HA CYS A 17 45.837 24.498 64.157 1.00 0.00 H new ATOM 0 HB2 CYS A 17 44.354 26.508 63.475 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.795 26.529 65.136 1.00 0.00 H new ATOM 267 N GLN A 18 46.193 24.488 66.620 1.00 0.00 N ATOM 268 CA GLN A 18 46.529 24.164 67.997 1.00 0.00 C ATOM 269 C GLN A 18 46.182 25.343 68.957 1.00 0.00 C ATOM 270 O GLN A 18 46.077 25.096 70.160 1.00 0.00 O ATOM 271 CB GLN A 18 47.996 23.712 68.149 1.00 0.00 C ATOM 272 CG GLN A 18 48.379 22.408 67.375 1.00 0.00 C ATOM 273 CD GLN A 18 49.001 22.705 66.005 1.00 0.00 C ATOM 274 OE1 GLN A 18 50.082 23.253 65.884 1.00 0.00 O ATOM 275 NE2 GLN A 18 48.286 22.289 64.935 1.00 0.00 N ATOM 0 H GLN A 18 46.989 24.818 66.075 1.00 0.00 H new ATOM 0 HA GLN A 18 45.912 23.313 68.286 1.00 0.00 H new ATOM 0 HB2 GLN A 18 48.644 24.520 67.809 1.00 0.00 H new ATOM 0 HB3 GLN A 18 48.204 23.560 69.208 1.00 0.00 H new ATOM 0 HG2 GLN A 18 49.082 21.827 67.972 1.00 0.00 H new ATOM 0 HG3 GLN A 18 47.489 21.793 67.242 1.00 0.00 H new ATOM 0 HE21 GLN A 18 47.384 21.833 65.071 1.00 0.00 H new ATOM 0 HE22 GLN A 18 48.649 22.431 63.992 1.00 0.00 H new ATOM 284 N GLU A 19 45.973 26.634 68.471 1.00 0.00 N ATOM 285 CA GLU A 19 45.551 27.695 69.393 1.00 0.00 C ATOM 286 C GLU A 19 44.056 27.403 69.796 1.00 0.00 C ATOM 287 O GLU A 19 43.162 27.177 68.980 1.00 0.00 O ATOM 288 CB GLU A 19 45.627 29.155 68.886 1.00 0.00 C ATOM 289 CG GLU A 19 47.056 29.761 68.777 1.00 0.00 C ATOM 290 CD GLU A 19 47.669 29.515 67.409 1.00 0.00 C ATOM 291 OE1 GLU A 19 48.152 28.465 67.017 1.00 0.00 O ATOM 292 OE2 GLU A 19 47.633 30.613 66.660 1.00 0.00 O ATOM 0 H GLU A 19 46.090 26.920 67.499 1.00 0.00 H new ATOM 0 HA GLU A 19 46.268 27.654 70.213 1.00 0.00 H new ATOM 0 HB2 GLU A 19 45.156 29.204 67.904 1.00 0.00 H new ATOM 0 HB3 GLU A 19 45.037 29.783 69.554 1.00 0.00 H new ATOM 0 HG2 GLU A 19 47.012 30.833 68.968 1.00 0.00 H new ATOM 0 HG3 GLU A 19 47.695 29.326 69.545 1.00 0.00 H new ATOM 300 N ASP A 20 43.844 27.524 71.157 1.00 0.00 N ATOM 301 CA ASP A 20 42.660 27.258 71.968 1.00 0.00 C ATOM 302 C ASP A 20 41.371 28.041 71.523 1.00 0.00 C ATOM 303 O ASP A 20 40.238 27.612 71.741 1.00 0.00 O ATOM 304 CB ASP A 20 42.465 25.795 72.395 1.00 0.00 C ATOM 305 CG ASP A 20 42.121 24.726 71.327 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.610 25.115 70.277 1.00 0.00 O ATOM 307 OD2 ASP A 20 42.325 23.561 71.687 1.00 0.00 O ATOM 0 H ASP A 20 44.606 27.850 71.751 1.00 0.00 H new ATOM 0 HA ASP A 20 42.891 27.723 72.926 1.00 0.00 H new ATOM 0 HB2 ASP A 20 43.380 25.476 72.893 1.00 0.00 H new ATOM 0 HB3 ASP A 20 41.672 25.776 73.143 1.00 0.00 H new ATOM 312 N SER A 21 41.595 29.311 71.035 1.00 0.00 N ATOM 313 CA SER A 21 40.565 30.282 70.662 1.00 0.00 C ATOM 314 C SER A 21 40.871 30.893 69.247 1.00 0.00 C ATOM 315 O SER A 21 41.986 30.725 68.748 1.00 0.00 O ATOM 316 CB SER A 21 40.507 31.363 71.767 1.00 0.00 C ATOM 317 OG SER A 21 39.489 32.319 71.523 1.00 0.00 O ATOM 0 H SER A 21 42.538 29.673 70.896 1.00 0.00 H new ATOM 0 HA SER A 21 39.590 29.801 70.584 1.00 0.00 H new ATOM 0 HB2 SER A 21 40.333 30.886 72.732 1.00 0.00 H new ATOM 0 HB3 SER A 21 41.471 31.868 71.831 1.00 0.00 H new ATOM 0 HG SER A 21 39.872 33.220 71.556 1.00 0.00 H new ATOM 323 N CYS A 22 39.862 31.572 68.563 1.00 0.00 N ATOM 324 CA CYS A 22 40.163 32.103 67.237 1.00 0.00 C ATOM 325 C CYS A 22 39.416 33.422 66.849 1.00 0.00 C ATOM 326 O CYS A 22 38.275 33.691 67.208 1.00 0.00 O ATOM 327 CB CYS A 22 40.003 31.013 66.140 1.00 0.00 C ATOM 328 SG CYS A 22 38.313 30.447 65.783 1.00 0.00 S ATOM 0 H CYS A 22 38.916 31.736 68.907 1.00 0.00 H new ATOM 0 HA CYS A 22 41.210 32.399 67.297 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.435 31.396 65.215 1.00 0.00 H new ATOM 0 HB3 CYS A 22 40.596 30.147 66.434 1.00 0.00 H new ATOM 333 N TYR A 23 40.106 34.246 65.970 1.00 0.00 N ATOM 334 CA TYR A 23 39.708 35.654 65.760 1.00 0.00 C ATOM 335 C TYR A 23 39.139 35.966 64.349 1.00 0.00 C ATOM 336 O TYR A 23 39.440 35.275 63.383 1.00 0.00 O ATOM 337 CB TYR A 23 40.983 36.564 65.910 1.00 0.00 C ATOM 338 CG TYR A 23 42.042 36.311 64.844 1.00 0.00 C ATOM 339 CD1 TYR A 23 41.944 36.871 63.570 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.158 35.517 65.096 1.00 0.00 C ATOM 341 CE1 TYR A 23 42.898 36.647 62.591 1.00 0.00 C ATOM 342 CE2 TYR A 23 44.136 35.286 64.135 1.00 0.00 C ATOM 343 CZ TYR A 23 44.017 35.848 62.861 1.00 0.00 C ATOM 344 OH TYR A 23 44.934 35.644 61.867 1.00 0.00 O ATOM 0 H TYR A 23 40.913 33.948 65.422 1.00 0.00 H new ATOM 0 HA TYR A 23 38.926 35.844 66.496 1.00 0.00 H new ATOM 0 HB2 TYR A 23 40.680 37.610 65.868 1.00 0.00 H new ATOM 0 HB3 TYR A 23 41.423 36.399 66.894 1.00 0.00 H new ATOM 0 HD1 TYR A 23 41.097 37.500 63.340 1.00 0.00 H new ATOM 0 HD2 TYR A 23 43.268 35.065 66.071 1.00 0.00 H new ATOM 0 HE1 TYR A 23 42.779 37.091 61.614 1.00 0.00 H new ATOM 0 HE2 TYR A 23 44.990 34.670 64.374 1.00 0.00 H new ATOM 0 HH TYR A 23 45.656 35.071 62.200 1.00 0.00 H new ATOM 354 N LYS A 24 38.327 37.084 64.266 1.00 0.00 N ATOM 355 CA LYS A 24 37.688 37.613 63.058 1.00 0.00 C ATOM 356 C LYS A 24 38.477 38.909 62.631 1.00 0.00 C ATOM 357 O LYS A 24 38.433 39.959 63.271 1.00 0.00 O ATOM 358 CB LYS A 24 36.236 38.010 63.365 1.00 0.00 C ATOM 359 CG LYS A 24 35.206 36.880 63.514 1.00 0.00 C ATOM 360 CD LYS A 24 34.791 36.279 62.161 1.00 0.00 C ATOM 361 CE LYS A 24 33.497 35.488 62.295 1.00 0.00 C ATOM 362 NZ LYS A 24 33.117 34.800 60.989 1.00 0.00 N ATOM 0 H LYS A 24 38.109 37.644 65.090 1.00 0.00 H new ATOM 0 HA LYS A 24 37.697 36.860 62.270 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.234 38.590 64.288 1.00 0.00 H new ATOM 0 HB3 LYS A 24 35.894 38.674 62.571 1.00 0.00 H new ATOM 0 HG2 LYS A 24 35.622 36.094 64.145 1.00 0.00 H new ATOM 0 HG3 LYS A 24 34.322 37.263 64.024 1.00 0.00 H new ATOM 0 HD2 LYS A 24 34.661 37.076 61.429 1.00 0.00 H new ATOM 0 HD3 LYS A 24 35.583 35.629 61.788 1.00 0.00 H new ATOM 0 HE2 LYS A 24 33.607 34.741 63.081 1.00 0.00 H new ATOM 0 HE3 LYS A 24 32.692 36.156 62.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.081 34.778 60.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.525 35.324 60.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.485 33.827 60.989 1.00 0.00 H new ATOM 376 N ASN A 25 39.172 38.817 61.446 1.00 0.00 N ATOM 377 CA ASN A 25 39.936 39.891 60.789 1.00 0.00 C ATOM 378 C ASN A 25 39.141 40.108 59.437 1.00 0.00 C ATOM 379 O ASN A 25 39.053 39.214 58.596 1.00 0.00 O ATOM 380 CB ASN A 25 41.382 39.468 60.577 1.00 0.00 C ATOM 381 CG ASN A 25 42.151 40.507 59.802 1.00 0.00 C ATOM 382 OD1 ASN A 25 41.810 40.569 58.503 1.00 0.00 O flip ATOM 383 ND2 ASN A 25 42.984 41.244 60.289 1.00 0.00 N flip ATOM 0 H ASN A 25 39.204 37.946 60.916 1.00 0.00 H new ATOM 0 HA ASN A 25 40.011 40.812 61.368 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.860 39.305 61.543 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.410 38.518 60.043 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.216 41.167 61.279 1.00 0.00 H new ATOM 0 HD22 ASN A 25 43.451 41.940 59.708 1.00 0.00 H new ATOM 390 N ILE A 26 38.582 41.372 59.227 1.00 0.00 N ATOM 391 CA ILE A 26 37.417 41.524 58.306 1.00 0.00 C ATOM 392 C ILE A 26 37.436 42.755 57.315 1.00 0.00 C ATOM 393 O ILE A 26 36.513 42.965 56.530 1.00 0.00 O ATOM 394 CB ILE A 26 36.146 41.586 59.186 1.00 0.00 C ATOM 395 CG1 ILE A 26 35.834 42.970 59.825 1.00 0.00 C ATOM 396 CG2 ILE A 26 36.132 40.476 60.264 1.00 0.00 C ATOM 397 CD1 ILE A 26 36.834 43.543 60.844 1.00 0.00 C ATOM 0 H ILE A 26 38.909 42.235 59.662 1.00 0.00 H new ATOM 0 HA ILE A 26 37.452 40.665 57.636 1.00 0.00 H new ATOM 0 HB ILE A 26 35.338 41.412 58.475 1.00 0.00 H new ATOM 0 HG12 ILE A 26 35.731 43.694 59.017 1.00 0.00 H new ATOM 0 HG13 ILE A 26 34.863 42.899 60.315 1.00 0.00 H new ATOM 0 HG21 ILE A 26 35.222 40.558 60.858 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.164 39.499 59.781 1.00 0.00 H new ATOM 0 HG23 ILE A 26 37.001 40.588 60.913 1.00 0.00 H new ATOM 0 HD11 ILE A 26 36.478 44.510 61.199 1.00 0.00 H new ATOM 0 HD12 ILE A 26 36.926 42.859 61.688 1.00 0.00 H new ATOM 0 HD13 ILE A 26 37.807 43.666 60.369 1.00 0.00 H new ATOM 409 N TRP A 27 38.543 43.556 57.379 1.00 0.00 N ATOM 410 CA TRP A 27 38.927 44.816 56.723 1.00 0.00 C ATOM 411 C TRP A 27 39.990 44.443 55.615 1.00 0.00 C ATOM 412 O TRP A 27 39.656 43.999 54.522 1.00 0.00 O ATOM 413 CB TRP A 27 39.509 45.831 57.788 1.00 0.00 C ATOM 414 CG TRP A 27 40.092 45.160 59.011 1.00 0.00 C ATOM 415 CD1 TRP A 27 40.673 43.862 59.073 1.00 0.00 C ATOM 416 CD2 TRP A 27 39.987 45.540 60.346 1.00 0.00 C ATOM 417 NE1 TRP A 27 40.780 43.389 60.346 1.00 0.00 N ATOM 418 CE2 TRP A 27 40.392 44.463 61.138 1.00 0.00 C ATOM 419 CE3 TRP A 27 39.464 46.688 60.997 1.00 0.00 C ATOM 420 CZ2 TRP A 27 40.327 44.434 62.491 1.00 0.00 C ATOM 421 CZ3 TRP A 27 39.388 46.695 62.380 1.00 0.00 C ATOM 422 CH2 TRP A 27 39.821 45.578 63.125 1.00 0.00 C ATOM 0 H TRP A 27 39.300 43.269 57.999 1.00 0.00 H new ATOM 0 HA TRP A 27 38.071 45.311 56.264 1.00 0.00 H new ATOM 0 HB2 TRP A 27 40.281 46.438 57.315 1.00 0.00 H new ATOM 0 HB3 TRP A 27 38.716 46.511 58.100 1.00 0.00 H new ATOM 0 HD1 TRP A 27 40.995 43.310 58.202 1.00 0.00 H new ATOM 0 HE1 TRP A 27 41.076 42.461 60.648 1.00 0.00 H new ATOM 0 HE3 TRP A 27 39.131 47.541 60.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 40.650 43.571 63.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 38.995 47.561 62.891 1.00 0.00 H new ATOM 0 HH2 TRP A 27 39.762 45.604 64.203 1.00 0.00 H new ATOM 433 N THR A 28 41.324 44.645 55.948 1.00 0.00 N ATOM 434 CA THR A 28 42.466 44.381 55.078 1.00 0.00 C ATOM 435 C THR A 28 42.556 45.410 53.889 1.00 0.00 C ATOM 436 O THR A 28 41.788 46.365 53.802 1.00 0.00 O ATOM 437 CB THR A 28 42.671 42.901 54.592 1.00 0.00 C ATOM 438 OG1 THR A 28 44.045 42.593 54.327 1.00 0.00 O ATOM 439 CG2 THR A 28 42.013 41.778 55.412 1.00 0.00 C ATOM 0 H THR A 28 41.603 45.006 56.860 1.00 0.00 H new ATOM 0 HA THR A 28 43.314 44.535 55.746 1.00 0.00 H new ATOM 0 HB THR A 28 42.104 42.905 53.661 1.00 0.00 H new ATOM 0 HG1 THR A 28 44.379 41.974 55.009 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.241 40.814 54.957 1.00 0.00 H new ATOM 0 HG22 THR A 28 42.398 41.798 56.432 1.00 0.00 H new ATOM 0 HG23 THR A 28 40.933 41.925 55.429 1.00 0.00 H new ATOM 447 N PHE A 29 43.614 45.213 53.012 1.00 0.00 N ATOM 448 CA PHE A 29 43.750 46.016 51.802 1.00 0.00 C ATOM 449 C PHE A 29 42.641 45.541 50.826 1.00 0.00 C ATOM 450 O PHE A 29 41.758 46.303 50.440 1.00 0.00 O ATOM 451 CB PHE A 29 45.129 45.944 51.130 1.00 0.00 C ATOM 452 CG PHE A 29 45.097 46.669 49.800 1.00 0.00 C ATOM 453 CD1 PHE A 29 44.894 48.051 49.730 1.00 0.00 C ATOM 454 CD2 PHE A 29 45.250 45.966 48.602 1.00 0.00 C ATOM 455 CE1 PHE A 29 44.857 48.717 48.506 1.00 0.00 C ATOM 456 CE2 PHE A 29 45.226 46.617 47.370 1.00 0.00 C ATOM 457 CZ PHE A 29 45.034 48.002 47.315 1.00 0.00 C ATOM 0 H PHE A 29 44.347 44.517 53.145 1.00 0.00 H new ATOM 0 HA PHE A 29 43.645 47.065 52.077 1.00 0.00 H new ATOM 0 HB2 PHE A 29 45.882 46.391 51.779 1.00 0.00 H new ATOM 0 HB3 PHE A 29 45.415 44.903 50.979 1.00 0.00 H new ATOM 0 HD1 PHE A 29 44.763 48.614 50.643 1.00 0.00 H new ATOM 0 HD2 PHE A 29 45.390 44.895 48.632 1.00 0.00 H new ATOM 0 HE1 PHE A 29 44.692 49.784 48.476 1.00 0.00 H new ATOM 0 HE2 PHE A 29 45.356 46.053 46.458 1.00 0.00 H new ATOM 0 HZ PHE A 29 45.022 48.514 46.364 1.00 0.00 H new ATOM 467 N ASP A 30 42.748 44.224 50.427 1.00 0.00 N ATOM 468 CA ASP A 30 41.731 43.503 49.679 1.00 0.00 C ATOM 469 C ASP A 30 40.527 43.459 50.686 1.00 0.00 C ATOM 470 O ASP A 30 40.556 42.793 51.716 1.00 0.00 O ATOM 471 CB ASP A 30 42.233 42.132 49.186 1.00 0.00 C ATOM 472 CG ASP A 30 43.034 41.225 50.165 1.00 0.00 C ATOM 473 OD1 ASP A 30 44.006 41.755 50.715 1.00 0.00 O ATOM 474 OD2 ASP A 30 42.648 40.058 50.286 1.00 0.00 O ATOM 0 H ASP A 30 43.568 43.654 50.635 1.00 0.00 H new ATOM 0 HA ASP A 30 41.441 43.976 48.741 1.00 0.00 H new ATOM 0 HB2 ASP A 30 41.365 41.566 48.848 1.00 0.00 H new ATOM 0 HB3 ASP A 30 42.860 42.306 48.311 1.00 0.00 H new ATOM 479 N ASN A 31 39.413 44.232 50.352 1.00 0.00 N ATOM 480 CA ASN A 31 38.298 44.501 51.273 1.00 0.00 C ATOM 481 C ASN A 31 37.564 43.133 51.463 1.00 0.00 C ATOM 482 O ASN A 31 36.761 42.732 50.620 1.00 0.00 O ATOM 483 CB ASN A 31 37.372 45.589 50.689 1.00 0.00 C ATOM 484 CG ASN A 31 38.139 46.701 49.981 1.00 0.00 C ATOM 485 OD1 ASN A 31 38.309 46.717 48.775 1.00 0.00 O ATOM 486 ND2 ASN A 31 38.635 47.664 50.785 1.00 0.00 N ATOM 0 H ASN A 31 39.296 44.667 49.437 1.00 0.00 H new ATOM 0 HA ASN A 31 38.637 44.885 52.235 1.00 0.00 H new ATOM 0 HB2 ASN A 31 36.677 45.129 49.986 1.00 0.00 H new ATOM 0 HB3 ASN A 31 36.775 46.020 51.492 1.00 0.00 H new ATOM 0 HD21 ASN A 31 39.171 48.435 50.387 1.00 0.00 H new ATOM 0 HD22 ASN A 31 38.474 47.621 51.791 1.00 0.00 H new ATOM 493 N ILE A 32 37.800 42.427 52.649 1.00 0.00 N ATOM 494 CA ILE A 32 37.436 41.018 52.638 1.00 0.00 C ATOM 495 C ILE A 32 37.539 40.349 54.052 1.00 0.00 C ATOM 496 O ILE A 32 38.257 40.825 54.932 1.00 0.00 O ATOM 497 CB ILE A 32 38.376 40.221 51.670 1.00 0.00 C ATOM 498 CG1 ILE A 32 37.694 39.106 50.854 1.00 0.00 C ATOM 499 CG2 ILE A 32 39.652 39.738 52.402 1.00 0.00 C ATOM 500 CD1 ILE A 32 36.795 39.623 49.713 1.00 0.00 C ATOM 0 H ILE A 32 38.198 42.797 53.512 1.00 0.00 H new ATOM 0 HA ILE A 32 36.398 40.981 52.307 1.00 0.00 H new ATOM 0 HB ILE A 32 38.673 40.939 50.906 1.00 0.00 H new ATOM 0 HG12 ILE A 32 38.462 38.457 50.432 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.094 38.493 51.526 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.285 39.188 51.705 1.00 0.00 H new ATOM 0 HG22 ILE A 32 40.199 40.599 52.787 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.372 39.086 53.230 1.00 0.00 H new ATOM 0 HD11 ILE A 32 36.352 38.777 49.187 1.00 0.00 H new ATOM 0 HD12 ILE A 32 36.004 40.247 50.128 1.00 0.00 H new ATOM 0 HD13 ILE A 32 37.393 40.211 49.016 1.00 0.00 H new ATOM 512 N ILE A 33 36.824 39.172 54.239 1.00 0.00 N ATOM 513 CA ILE A 33 36.929 38.424 55.513 1.00 0.00 C ATOM 514 C ILE A 33 37.970 37.287 55.269 1.00 0.00 C ATOM 515 O ILE A 33 37.802 36.394 54.439 1.00 0.00 O ATOM 516 CB ILE A 33 35.642 37.830 56.103 1.00 0.00 C ATOM 517 CG1 ILE A 33 34.455 38.818 56.188 1.00 0.00 C ATOM 518 CG2 ILE A 33 35.905 37.170 57.484 1.00 0.00 C ATOM 519 CD1 ILE A 33 33.095 38.101 56.299 1.00 0.00 C ATOM 0 H ILE A 33 36.203 38.756 53.545 1.00 0.00 H new ATOM 0 HA ILE A 33 37.219 39.154 56.269 1.00 0.00 H new ATOM 0 HB ILE A 33 35.336 37.065 55.390 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.590 39.469 57.052 1.00 0.00 H new ATOM 0 HG13 ILE A 33 34.454 39.456 55.304 1.00 0.00 H new ATOM 0 HG21 ILE A 33 34.974 36.759 57.874 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.636 36.369 57.371 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.290 37.918 58.177 1.00 0.00 H new ATOM 0 HD11 ILE A 33 32.297 38.841 56.356 1.00 0.00 H new ATOM 0 HD12 ILE A 33 32.944 37.470 55.423 1.00 0.00 H new ATOM 0 HD13 ILE A 33 33.081 37.484 57.197 1.00 0.00 H new ATOM 531 N ARG A 34 39.106 37.332 56.058 1.00 0.00 N ATOM 532 CA ARG A 34 40.213 36.417 55.817 1.00 0.00 C ATOM 533 C ARG A 34 40.974 36.429 57.159 1.00 0.00 C ATOM 534 O ARG A 34 41.917 37.175 57.417 1.00 0.00 O ATOM 535 CB ARG A 34 41.043 36.865 54.623 1.00 0.00 C ATOM 536 CG ARG A 34 42.310 36.064 54.282 1.00 0.00 C ATOM 537 CD ARG A 34 42.766 36.447 52.862 1.00 0.00 C ATOM 538 NE ARG A 34 43.162 37.847 52.569 1.00 0.00 N ATOM 539 CZ ARG A 34 43.615 38.804 53.369 1.00 0.00 C ATOM 540 NH1 ARG A 34 43.690 38.663 54.667 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.031 39.914 52.830 1.00 0.00 N ATOM 0 H ARG A 34 39.246 37.981 56.833 1.00 0.00 H new ATOM 0 HA ARG A 34 39.910 35.406 55.545 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.397 36.857 53.745 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.338 37.901 54.792 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.099 36.278 55.003 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.108 34.994 54.339 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.613 35.809 52.609 1.00 0.00 H new ATOM 0 HD3 ARG A 34 41.957 36.188 52.179 1.00 0.00 H new ATOM 0 HE ARG A 34 43.071 38.119 51.590 1.00 0.00 H new ATOM 0 HH11 ARG A 34 43.393 37.790 55.103 1.00 0.00 H new ATOM 0 HH12 ARG A 34 44.045 39.426 55.243 1.00 0.00 H new ATOM 0 HH21 ARG A 34 44.003 40.031 51.817 1.00 0.00 H new ATOM 0 HH22 ARG A 34 44.384 40.667 53.421 1.00 0.00 H new ATOM 555 N ARG A 35 40.435 35.535 58.052 1.00 0.00 N ATOM 556 CA ARG A 35 40.734 35.504 59.477 1.00 0.00 C ATOM 557 C ARG A 35 41.488 34.218 59.926 1.00 0.00 C ATOM 558 O ARG A 35 42.069 33.528 59.091 1.00 0.00 O ATOM 559 CB ARG A 35 39.377 35.837 60.137 1.00 0.00 C ATOM 560 CG ARG A 35 38.149 34.892 59.956 1.00 0.00 C ATOM 561 CD ARG A 35 38.297 33.454 60.490 1.00 0.00 C ATOM 562 NE ARG A 35 38.230 33.223 61.958 1.00 0.00 N ATOM 563 CZ ARG A 35 37.161 32.981 62.693 1.00 0.00 C ATOM 564 NH1 ARG A 35 35.985 32.813 62.169 1.00 0.00 N ATOM 565 NH2 ARG A 35 37.288 32.925 63.993 1.00 0.00 N ATOM 0 H ARG A 35 39.772 34.814 57.769 1.00 0.00 H new ATOM 0 HA ARG A 35 41.476 36.233 59.803 1.00 0.00 H new ATOM 0 HB2 ARG A 35 39.556 35.929 61.208 1.00 0.00 H new ATOM 0 HB3 ARG A 35 39.079 36.822 59.778 1.00 0.00 H new ATOM 0 HG2 ARG A 35 37.291 35.351 60.448 1.00 0.00 H new ATOM 0 HG3 ARG A 35 37.915 34.838 58.893 1.00 0.00 H new ATOM 0 HD2 ARG A 35 37.520 32.848 60.025 1.00 0.00 H new ATOM 0 HD3 ARG A 35 39.254 33.069 60.139 1.00 0.00 H new ATOM 0 HE ARG A 35 39.119 33.256 62.457 1.00 0.00 H new ATOM 0 HH11 ARG A 35 35.865 32.866 61.157 1.00 0.00 H new ATOM 0 HH12 ARG A 35 35.181 32.628 62.769 1.00 0.00 H new ATOM 0 HH21 ARG A 35 38.202 33.067 64.423 1.00 0.00 H new ATOM 0 HH22 ARG A 35 36.473 32.739 64.577 1.00 0.00 H new ATOM 579 N GLY A 36 41.552 33.946 61.288 1.00 0.00 N ATOM 580 CA GLY A 36 42.300 32.731 61.625 1.00 0.00 C ATOM 581 C GLY A 36 42.413 32.346 63.105 1.00 0.00 C ATOM 582 O GLY A 36 41.836 32.986 63.975 1.00 0.00 O ATOM 0 H GLY A 36 41.146 34.485 62.053 1.00 0.00 H new ATOM 0 HA2 GLY A 36 41.839 31.897 61.097 1.00 0.00 H new ATOM 0 HA3 GLY A 36 43.310 32.839 61.229 1.00 0.00 H new ATOM 586 N CYS A 37 43.181 31.219 63.361 1.00 0.00 N ATOM 587 CA CYS A 37 43.393 30.763 64.739 1.00 0.00 C ATOM 588 C CYS A 37 44.385 31.725 65.476 1.00 0.00 C ATOM 589 O CYS A 37 45.472 32.052 65.004 1.00 0.00 O ATOM 590 CB CYS A 37 43.907 29.307 64.862 1.00 0.00 C ATOM 591 SG CYS A 37 45.440 28.990 63.937 1.00 0.00 S ATOM 0 H CYS A 37 43.633 30.651 62.644 1.00 0.00 H new ATOM 0 HA CYS A 37 42.408 30.781 65.206 1.00 0.00 H new ATOM 0 HB2 CYS A 37 44.075 29.078 65.914 1.00 0.00 H new ATOM 0 HB3 CYS A 37 43.132 28.627 64.508 1.00 0.00 H new ATOM 596 N GLY A 38 43.929 32.245 66.685 1.00 0.00 N ATOM 597 CA GLY A 38 44.832 33.042 67.504 1.00 0.00 C ATOM 598 C GLY A 38 44.106 33.254 68.848 1.00 0.00 C ATOM 599 O GLY A 38 44.337 32.541 69.820 1.00 0.00 O ATOM 0 H GLY A 38 42.991 32.116 67.063 1.00 0.00 H new ATOM 0 HA2 GLY A 38 45.783 32.529 67.650 1.00 0.00 H new ATOM 0 HA3 GLY A 38 45.055 33.996 67.025 1.00 0.00 H new ATOM 603 N CYS A 39 43.175 34.287 68.869 1.00 0.00 N ATOM 604 CA CYS A 39 42.402 34.609 70.071 1.00 0.00 C ATOM 605 C CYS A 39 43.193 35.640 70.924 1.00 0.00 C ATOM 606 O CYS A 39 42.964 36.848 70.910 1.00 0.00 O ATOM 607 CB CYS A 39 40.950 35.044 69.876 1.00 0.00 C ATOM 608 SG CYS A 39 40.267 35.389 71.529 1.00 0.00 S ATOM 0 H CYS A 39 42.969 34.881 68.066 1.00 0.00 H new ATOM 0 HA CYS A 39 42.289 33.658 70.592 1.00 0.00 H new ATOM 0 HB2 CYS A 39 40.895 35.930 69.244 1.00 0.00 H new ATOM 0 HB3 CYS A 39 40.377 34.262 69.378 1.00 0.00 H new ATOM 613 N PHE A 40 44.168 35.067 71.705 1.00 0.00 N ATOM 614 CA PHE A 40 44.954 35.764 72.719 1.00 0.00 C ATOM 615 C PHE A 40 46.157 36.428 71.958 1.00 0.00 C ATOM 616 O PHE A 40 47.280 35.934 71.966 1.00 0.00 O ATOM 617 CB PHE A 40 45.277 34.747 73.880 1.00 0.00 C ATOM 618 CG PHE A 40 45.237 33.269 73.470 1.00 0.00 C ATOM 619 CD1 PHE A 40 46.264 32.703 72.708 1.00 0.00 C ATOM 620 CD2 PHE A 40 44.136 32.451 73.774 1.00 0.00 C ATOM 621 CE1 PHE A 40 46.220 31.378 72.281 1.00 0.00 C ATOM 622 CE2 PHE A 40 44.079 31.121 73.358 1.00 0.00 C ATOM 623 CZ PHE A 40 45.136 30.571 72.629 1.00 0.00 C ATOM 0 H PHE A 40 44.416 34.081 71.625 1.00 0.00 H new ATOM 0 HA PHE A 40 44.449 36.580 73.236 1.00 0.00 H new ATOM 0 HB2 PHE A 40 46.267 34.973 74.277 1.00 0.00 H new ATOM 0 HB3 PHE A 40 44.565 34.904 74.690 1.00 0.00 H new ATOM 0 HD1 PHE A 40 47.116 33.311 72.443 1.00 0.00 H new ATOM 0 HD2 PHE A 40 43.315 32.862 74.343 1.00 0.00 H new ATOM 0 HE1 PHE A 40 47.023 30.976 71.682 1.00 0.00 H new ATOM 0 HE2 PHE A 40 43.217 30.516 73.600 1.00 0.00 H new ATOM 0 HZ PHE A 40 45.115 29.531 72.338 1.00 0.00 H new ATOM 735 N GLY A 48 44.373 45.091 66.475 1.00 0.00 N ATOM 736 CA GLY A 48 44.039 43.660 66.528 1.00 0.00 C ATOM 737 C GLY A 48 42.589 43.355 66.030 1.00 0.00 C ATOM 738 O GLY A 48 41.731 44.233 65.969 1.00 0.00 O ATOM 0 HA2 GLY A 48 44.751 43.103 65.919 1.00 0.00 H new ATOM 0 HA3 GLY A 48 44.148 43.304 67.553 1.00 0.00 H new ATOM 742 N PRO A 49 42.333 42.025 65.745 1.00 0.00 N ATOM 743 CA PRO A 49 41.017 41.513 65.342 1.00 0.00 C ATOM 744 C PRO A 49 40.105 41.271 66.590 1.00 0.00 C ATOM 745 O PRO A 49 40.549 41.341 67.735 1.00 0.00 O ATOM 746 CB PRO A 49 41.375 40.183 64.662 1.00 0.00 C ATOM 747 CG PRO A 49 42.529 39.681 65.533 1.00 0.00 C ATOM 748 CD PRO A 49 43.337 40.963 65.720 1.00 0.00 C ATOM 0 HA PRO A 49 40.461 42.197 64.701 1.00 0.00 H new ATOM 0 HB2 PRO A 49 40.535 39.488 64.657 1.00 0.00 H new ATOM 0 HB3 PRO A 49 41.678 40.324 63.625 1.00 0.00 H new ATOM 0 HG2 PRO A 49 42.181 39.272 66.481 1.00 0.00 H new ATOM 0 HG3 PRO A 49 43.106 38.899 65.041 1.00 0.00 H new ATOM 0 HD2 PRO A 49 43.913 40.938 66.645 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.048 41.107 64.906 1.00 0.00 H new ATOM 756 N TYR A 50 38.779 40.969 66.323 1.00 0.00 N ATOM 757 CA TYR A 50 37.814 40.706 67.416 1.00 0.00 C ATOM 758 C TYR A 50 37.563 39.171 67.592 1.00 0.00 C ATOM 759 O TYR A 50 37.730 38.403 66.650 1.00 0.00 O ATOM 760 CB TYR A 50 36.467 41.496 67.273 1.00 0.00 C ATOM 761 CG TYR A 50 35.602 41.032 66.127 1.00 0.00 C ATOM 762 CD1 TYR A 50 35.793 41.499 64.829 1.00 0.00 C ATOM 763 CD2 TYR A 50 34.560 40.134 66.342 1.00 0.00 C ATOM 764 CE1 TYR A 50 34.974 41.096 63.786 1.00 0.00 C ATOM 765 CE2 TYR A 50 33.724 39.721 65.317 1.00 0.00 C ATOM 766 CZ TYR A 50 33.908 40.216 64.020 1.00 0.00 C ATOM 767 OH TYR A 50 33.101 39.845 62.975 1.00 0.00 O ATOM 0 H TYR A 50 38.384 40.908 65.385 1.00 0.00 H new ATOM 0 HA TYR A 50 38.281 41.086 68.325 1.00 0.00 H new ATOM 0 HB2 TYR A 50 35.903 41.403 68.201 1.00 0.00 H new ATOM 0 HB3 TYR A 50 36.691 42.555 67.140 1.00 0.00 H new ATOM 0 HD1 TYR A 50 36.598 42.191 64.631 1.00 0.00 H new ATOM 0 HD2 TYR A 50 34.398 39.748 67.338 1.00 0.00 H new ATOM 0 HE1 TYR A 50 35.158 41.462 62.787 1.00 0.00 H new ATOM 0 HE2 TYR A 50 32.930 39.017 65.518 1.00 0.00 H new ATOM 0 HH TYR A 50 32.409 39.231 63.298 1.00 0.00 H new ATOM 777 N CYS A 51 37.124 38.718 68.835 1.00 0.00 N ATOM 778 CA CYS A 51 37.273 37.277 69.149 1.00 0.00 C ATOM 779 C CYS A 51 35.970 36.432 69.369 1.00 0.00 C ATOM 780 O CYS A 51 34.953 36.865 69.899 1.00 0.00 O ATOM 781 CB CYS A 51 38.078 37.174 70.456 1.00 0.00 C ATOM 782 SG CYS A 51 38.302 35.445 70.991 1.00 0.00 S ATOM 0 H CYS A 51 36.702 39.294 69.564 1.00 0.00 H new ATOM 0 HA CYS A 51 37.740 36.857 68.258 1.00 0.00 H new ATOM 0 HB2 CYS A 51 39.054 37.639 70.317 1.00 0.00 H new ATOM 0 HB3 CYS A 51 37.567 37.732 71.241 1.00 0.00 H new ATOM 787 N CYS A 52 36.135 35.110 68.994 1.00 0.00 N ATOM 788 CA CYS A 52 35.240 33.985 69.259 1.00 0.00 C ATOM 789 C CYS A 52 36.098 32.832 69.904 1.00 0.00 C ATOM 790 O CYS A 52 37.288 32.698 69.628 1.00 0.00 O ATOM 791 CB CYS A 52 34.663 33.457 67.956 1.00 0.00 C ATOM 792 SG CYS A 52 33.209 32.376 68.090 1.00 0.00 S ATOM 0 H CYS A 52 36.958 34.816 68.467 1.00 0.00 H new ATOM 0 HA CYS A 52 34.431 34.308 69.914 1.00 0.00 H new ATOM 0 HB2 CYS A 52 34.397 34.309 67.331 1.00 0.00 H new ATOM 0 HB3 CYS A 52 35.447 32.910 67.433 1.00 0.00 H new ATOM 797 N GLU A 53 35.469 31.944 70.746 1.00 0.00 N ATOM 798 CA GLU A 53 36.183 30.791 71.327 1.00 0.00 C ATOM 799 C GLU A 53 35.318 29.577 70.964 1.00 0.00 C ATOM 800 O GLU A 53 34.726 28.916 71.816 1.00 0.00 O ATOM 801 CB GLU A 53 36.510 30.912 72.826 1.00 0.00 C ATOM 802 CG GLU A 53 35.441 31.506 73.763 1.00 0.00 C ATOM 803 CD GLU A 53 34.253 30.617 74.067 1.00 0.00 C ATOM 804 OE1 GLU A 53 33.122 30.773 73.643 1.00 0.00 O ATOM 805 OE2 GLU A 53 34.573 29.653 74.930 1.00 0.00 O ATOM 0 H GLU A 53 34.490 32.016 71.022 1.00 0.00 H new ATOM 0 HA GLU A 53 37.188 30.708 70.914 1.00 0.00 H new ATOM 0 HB2 GLU A 53 36.757 29.916 73.193 1.00 0.00 H new ATOM 0 HB3 GLU A 53 37.410 31.519 72.922 1.00 0.00 H new ATOM 0 HG2 GLU A 53 35.920 31.772 74.705 1.00 0.00 H new ATOM 0 HG3 GLU A 53 35.073 32.431 73.320 1.00 0.00 H new ATOM 813 N SER A 54 35.291 29.270 69.619 1.00 0.00 N ATOM 814 CA SER A 54 34.433 28.186 69.205 1.00 0.00 C ATOM 815 C SER A 54 34.836 27.677 67.794 1.00 0.00 C ATOM 816 O SER A 54 35.527 28.353 67.031 1.00 0.00 O ATOM 817 CB SER A 54 32.923 28.566 69.155 1.00 0.00 C ATOM 818 OG SER A 54 32.018 27.507 68.857 1.00 0.00 O ATOM 0 H SER A 54 35.821 29.737 68.884 1.00 0.00 H new ATOM 0 HA SER A 54 34.566 27.413 69.962 1.00 0.00 H new ATOM 0 HB2 SER A 54 32.645 28.993 70.118 1.00 0.00 H new ATOM 0 HB3 SER A 54 32.791 29.350 68.409 1.00 0.00 H new ATOM 0 HG SER A 54 31.101 27.852 68.852 1.00 0.00 H new ATOM 824 N ASP A 55 34.341 26.432 67.457 1.00 0.00 N ATOM 825 CA ASP A 55 34.568 25.896 66.118 1.00 0.00 C ATOM 826 C ASP A 55 33.821 26.844 65.095 1.00 0.00 C ATOM 827 O ASP A 55 32.634 27.143 65.225 1.00 0.00 O ATOM 828 CB ASP A 55 34.049 24.443 66.024 1.00 0.00 C ATOM 829 CG ASP A 55 34.549 23.757 64.737 1.00 0.00 C ATOM 830 OD1 ASP A 55 35.733 23.980 64.463 1.00 0.00 O ATOM 831 OD2 ASP A 55 33.744 23.082 64.093 1.00 0.00 O ATOM 0 H ASP A 55 33.809 25.827 68.083 1.00 0.00 H new ATOM 0 HA ASP A 55 35.633 25.867 65.886 1.00 0.00 H new ATOM 0 HB2 ASP A 55 34.382 23.878 66.894 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.959 24.441 66.041 1.00 0.00 H new ATOM 836 N LYS A 56 34.582 27.341 64.038 1.00 0.00 N ATOM 837 CA LYS A 56 34.054 28.093 62.898 1.00 0.00 C ATOM 838 C LYS A 56 33.769 29.608 63.256 1.00 0.00 C ATOM 839 O LYS A 56 34.617 30.466 63.025 1.00 0.00 O ATOM 840 CB LYS A 56 32.873 27.430 62.159 1.00 0.00 C ATOM 841 CG LYS A 56 33.121 25.958 61.771 1.00 0.00 C ATOM 842 CD LYS A 56 34.364 25.685 60.906 1.00 0.00 C ATOM 843 CE LYS A 56 34.623 24.185 60.780 1.00 0.00 C ATOM 844 NZ LYS A 56 35.164 23.650 62.118 1.00 0.00 N ATOM 0 H LYS A 56 35.592 27.208 63.988 1.00 0.00 H new ATOM 0 HA LYS A 56 34.864 28.074 62.169 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.986 27.484 62.791 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.656 28.001 61.256 1.00 0.00 H new ATOM 0 HG2 LYS A 56 33.205 25.372 62.686 1.00 0.00 H new ATOM 0 HG3 LYS A 56 32.244 25.592 61.237 1.00 0.00 H new ATOM 0 HD2 LYS A 56 34.225 26.118 59.916 1.00 0.00 H new ATOM 0 HD3 LYS A 56 35.233 26.172 61.348 1.00 0.00 H new ATOM 0 HE2 LYS A 56 33.702 23.666 60.513 1.00 0.00 H new ATOM 0 HE3 LYS A 56 35.340 23.994 59.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 36.033 23.105 61.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 35.374 24.448 62.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 34.451 23.035 62.560 1.00 0.00 H new ATOM 858 N CYS A 57 32.515 29.925 63.753 1.00 0.00 N ATOM 859 CA CYS A 57 32.015 31.263 64.103 1.00 0.00 C ATOM 860 C CYS A 57 31.441 32.047 62.836 1.00 0.00 C ATOM 861 O CYS A 57 31.531 33.272 62.809 1.00 0.00 O ATOM 862 CB CYS A 57 32.952 32.111 64.994 1.00 0.00 C ATOM 863 SG CYS A 57 33.588 31.194 66.450 1.00 0.00 S ATOM 0 H CYS A 57 31.814 29.203 63.918 1.00 0.00 H new ATOM 0 HA CYS A 57 31.167 31.076 64.761 1.00 0.00 H new ATOM 0 HB2 CYS A 57 33.794 32.460 64.396 1.00 0.00 H new ATOM 0 HB3 CYS A 57 32.415 32.996 65.336 1.00 0.00 H new ATOM 868 N ASN A 58 30.801 31.356 61.809 1.00 0.00 N ATOM 869 CA ASN A 58 30.095 31.970 60.666 1.00 0.00 C ATOM 870 C ASN A 58 31.120 32.745 59.761 1.00 0.00 C ATOM 871 O ASN A 58 31.086 33.973 59.709 1.00 0.00 O ATOM 872 CB ASN A 58 28.863 32.829 61.024 1.00 0.00 C ATOM 873 CG ASN A 58 27.886 32.080 61.922 1.00 0.00 C ATOM 874 OD1 ASN A 58 27.378 31.018 61.611 1.00 0.00 O ATOM 875 ND2 ASN A 58 27.605 32.701 63.089 1.00 0.00 N ATOM 0 H ASN A 58 30.778 30.337 61.779 1.00 0.00 H new ATOM 0 HA ASN A 58 29.661 31.142 60.105 1.00 0.00 H new ATOM 0 HB2 ASN A 58 29.190 33.740 61.525 1.00 0.00 H new ATOM 0 HB3 ASN A 58 28.355 33.133 60.109 1.00 0.00 H new ATOM 0 HD21 ASN A 58 26.947 32.280 63.745 1.00 0.00 H new ATOM 0 HD22 ASN A 58 28.051 33.590 63.314 1.00 0.00 H new ATOM 882 N LEU A 59 32.011 31.985 59.021 1.00 0.00 N ATOM 883 CA LEU A 59 33.075 32.491 58.112 1.00 0.00 C ATOM 884 C LEU A 59 33.990 33.446 58.992 1.00 0.00 C ATOM 885 O LEU A 59 34.037 34.647 58.706 1.00 0.00 O ATOM 886 CB LEU A 59 32.611 33.070 56.750 1.00 0.00 C ATOM 887 CG LEU A 59 33.528 32.688 55.557 1.00 0.00 C ATOM 888 CD1 LEU A 59 32.924 33.144 54.218 1.00 0.00 C ATOM 889 CD2 LEU A 59 34.952 33.257 55.679 1.00 0.00 C ATOM 890 OXT LEU A 59 34.524 32.910 59.973 1.00 0.00 O ATOM 0 H LEU A 59 31.992 30.966 59.055 1.00 0.00 H new ATOM 0 HA LEU A 59 33.656 31.650 57.732 1.00 0.00 H new ATOM 0 HB2 LEU A 59 31.599 32.721 56.544 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.564 34.156 56.826 1.00 0.00 H new ATOM 0 HG LEU A 59 33.597 31.601 55.584 1.00 0.00 H new ATOM 0 HD11 LEU A 59 33.591 32.861 53.403 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.954 32.668 54.075 1.00 0.00 H new ATOM 0 HD13 LEU A 59 32.799 34.227 54.225 1.00 0.00 H new ATOM 0 HD21 LEU A 59 35.541 32.953 54.813 1.00 0.00 H new ATOM 0 HD22 LEU A 59 34.906 34.345 55.723 1.00 0.00 H new ATOM 0 HD23 LEU A 59 35.419 32.876 56.587 1.00 0.00 H new