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 25 ASN :FLIP amide:sc= -0.771 F(o=-1.4,f=-0.77) USER MOD Set 1.2: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 HIS : no HD1:sc= -0.308 K(o=0.81,f=-2.5) USER MOD Set 2.2: A 13 THR OG1 : rot -73:sc= 1.12 USER MOD Single : A 1 ARG N :NH3+ -137:sc= 0.716! (180deg=-2.29!) USER MOD Single : A 4 TYR OH : rot -157:sc= 0.697 USER MOD Single : A 5 ASN : amide:sc= -0.464 K(o=-0.46,f=-1.6) USER MOD Single : A 9 THR OG1 : rot 12:sc= 0.886 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= 0.0355 K(o=0.035,f=-2.2!) USER MOD Single : A 21 SER OG : rot 27:sc= 0.282 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= -0.886! (180deg=-0.957!) USER MOD Single : A 31 ASN : amide:sc= 0.00405 X(o=0.0041,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc=-0.00896 USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= -0.876! (180deg=-1.88!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 40.648 24.972 67.636 1.00 0.00 N ATOM 2 CA ARG A 1 39.261 24.906 66.958 1.00 0.00 C ATOM 3 C ARG A 1 39.463 25.097 65.410 1.00 0.00 C ATOM 4 O ARG A 1 40.551 25.493 65.000 1.00 0.00 O ATOM 5 CB ARG A 1 38.300 26.005 67.513 1.00 0.00 C ATOM 6 CG ARG A 1 36.825 25.601 67.767 1.00 0.00 C ATOM 7 CD ARG A 1 36.535 24.497 68.843 1.00 0.00 C ATOM 8 NE ARG A 1 35.737 24.916 70.041 1.00 0.00 N ATOM 9 CZ ARG A 1 36.141 25.665 71.061 1.00 0.00 C ATOM 10 NH1 ARG A 1 37.361 26.109 71.155 1.00 0.00 N ATOM 11 NH2 ARG A 1 35.280 25.974 71.998 1.00 0.00 N ATOM 0 H1 ARG A 1 40.719 24.224 68.355 1.00 0.00 H new ATOM 0 H2 ARG A 1 41.391 24.836 66.921 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.769 25.900 68.089 1.00 0.00 H new ATOM 0 HA ARG A 1 38.804 23.940 67.170 1.00 0.00 H new ATOM 0 HB2 ARG A 1 38.715 26.372 68.452 1.00 0.00 H new ATOM 0 HB3 ARG A 1 38.305 26.841 66.813 1.00 0.00 H new ATOM 0 HG2 ARG A 1 36.278 26.499 68.055 1.00 0.00 H new ATOM 0 HG3 ARG A 1 36.405 25.262 66.820 1.00 0.00 H new ATOM 0 HD2 ARG A 1 36.010 23.676 68.355 1.00 0.00 H new ATOM 0 HD3 ARG A 1 37.490 24.103 69.191 1.00 0.00 H new ATOM 0 HE ARG A 1 34.772 24.588 70.077 1.00 0.00 H new ATOM 0 HH11 ARG A 1 38.043 25.884 70.430 1.00 0.00 H new ATOM 0 HH12 ARG A 1 37.635 26.682 71.953 1.00 0.00 H new ATOM 0 HH21 ARG A 1 34.318 25.641 71.937 1.00 0.00 H new ATOM 0 HH22 ARG A 1 35.571 26.548 72.789 1.00 0.00 H new ATOM 27 N ILE A 2 38.409 24.819 64.540 1.00 0.00 N ATOM 28 CA ILE A 2 38.566 25.025 63.074 1.00 0.00 C ATOM 29 C ILE A 2 37.910 26.391 62.676 1.00 0.00 C ATOM 30 O ILE A 2 36.774 26.699 63.042 1.00 0.00 O ATOM 31 CB ILE A 2 37.932 23.971 62.110 1.00 0.00 C ATOM 32 CG1 ILE A 2 38.238 22.513 62.545 1.00 0.00 C ATOM 33 CG2 ILE A 2 38.329 24.285 60.628 1.00 0.00 C ATOM 34 CD1 ILE A 2 37.509 21.406 61.764 1.00 0.00 C ATOM 0 H ILE A 2 37.496 24.470 64.831 1.00 0.00 H new ATOM 0 HA ILE A 2 39.646 24.956 62.942 1.00 0.00 H new ATOM 0 HB ILE A 2 36.847 24.053 62.172 1.00 0.00 H new ATOM 0 HG12 ILE A 2 39.311 22.346 62.455 1.00 0.00 H new ATOM 0 HG13 ILE A 2 37.987 22.410 63.601 1.00 0.00 H new ATOM 0 HG21 ILE A 2 37.881 23.544 59.966 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.969 25.278 60.357 1.00 0.00 H new ATOM 0 HG23 ILE A 2 39.414 24.253 60.527 1.00 0.00 H new ATOM 0 HD11 ILE A 2 37.801 20.432 62.156 1.00 0.00 H new ATOM 0 HD12 ILE A 2 36.432 21.533 61.873 1.00 0.00 H new ATOM 0 HD13 ILE A 2 37.777 21.468 60.709 1.00 0.00 H new ATOM 46 N CYS A 3 38.656 27.207 61.839 1.00 0.00 N ATOM 47 CA CYS A 3 38.028 28.364 61.206 1.00 0.00 C ATOM 48 C CYS A 3 38.640 28.580 59.769 1.00 0.00 C ATOM 49 O CYS A 3 39.758 28.167 59.470 1.00 0.00 O ATOM 50 CB CYS A 3 38.102 29.700 61.979 1.00 0.00 C ATOM 51 SG CYS A 3 37.096 29.983 63.500 1.00 0.00 S ATOM 0 H CYS A 3 39.642 27.069 61.615 1.00 0.00 H new ATOM 0 HA CYS A 3 36.969 28.108 61.179 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.146 29.850 62.256 1.00 0.00 H new ATOM 0 HB3 CYS A 3 37.842 30.490 61.274 1.00 0.00 H new ATOM 56 N TYR A 4 37.846 29.252 58.848 1.00 0.00 N ATOM 57 CA TYR A 4 38.291 29.456 57.466 1.00 0.00 C ATOM 58 C TYR A 4 39.498 30.452 57.392 1.00 0.00 C ATOM 59 O TYR A 4 39.603 31.358 58.217 1.00 0.00 O ATOM 60 CB TYR A 4 37.169 30.129 56.635 1.00 0.00 C ATOM 61 CG TYR A 4 35.766 29.673 56.985 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.165 28.564 56.400 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.032 30.378 57.939 1.00 0.00 C ATOM 64 CE1 TYR A 4 33.875 28.182 56.737 1.00 0.00 C ATOM 65 CE2 TYR A 4 33.744 30.014 58.292 1.00 0.00 C ATOM 66 CZ TYR A 4 33.130 28.922 57.670 1.00 0.00 C ATOM 67 OH TYR A 4 31.837 28.561 57.928 1.00 0.00 O ATOM 0 H TYR A 4 36.926 29.639 59.060 1.00 0.00 H new ATOM 0 HA TYR A 4 38.563 28.471 57.086 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.231 31.209 56.772 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.349 29.931 55.578 1.00 0.00 H new ATOM 0 HD1 TYR A 4 35.713 27.989 55.669 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.483 31.235 58.417 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.439 27.307 56.278 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.213 30.573 59.048 1.00 0.00 H new ATOM 0 HH TYR A 4 31.347 29.332 58.282 1.00 0.00 H new ATOM 77 N ASN A 5 40.384 30.316 56.328 1.00 0.00 N ATOM 78 CA ASN A 5 41.460 31.304 56.173 1.00 0.00 C ATOM 79 C ASN A 5 41.778 31.329 54.652 1.00 0.00 C ATOM 80 O ASN A 5 42.900 31.053 54.239 1.00 0.00 O ATOM 81 CB ASN A 5 42.702 31.041 57.033 1.00 0.00 C ATOM 82 CG ASN A 5 43.660 32.233 57.063 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.621 33.171 56.287 1.00 0.00 O ATOM 84 ND2 ASN A 5 44.579 32.171 58.052 1.00 0.00 N ATOM 0 H ASN A 5 40.357 29.576 55.627 1.00 0.00 H new ATOM 0 HA ASN A 5 41.129 32.276 56.540 1.00 0.00 H new ATOM 0 HB2 ASN A 5 42.391 30.804 58.050 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.227 30.167 56.648 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.261 32.921 58.162 1.00 0.00 H new ATOM 0 HD22 ASN A 5 44.590 31.374 58.689 1.00 0.00 H new ATOM 91 N HIS A 6 40.719 31.654 53.820 1.00 0.00 N ATOM 92 CA HIS A 6 40.787 31.750 52.352 1.00 0.00 C ATOM 93 C HIS A 6 40.931 33.256 51.910 1.00 0.00 C ATOM 94 O HIS A 6 41.419 34.087 52.672 1.00 0.00 O ATOM 95 CB HIS A 6 41.685 30.667 51.618 1.00 0.00 C ATOM 96 CG HIS A 6 43.129 30.971 51.366 1.00 0.00 C ATOM 97 ND1 HIS A 6 44.090 29.954 51.190 1.00 0.00 N ATOM 98 CD2 HIS A 6 43.854 32.117 51.220 1.00 0.00 C ATOM 99 CE1 HIS A 6 45.311 30.440 50.994 1.00 0.00 C ATOM 100 NE2 HIS A 6 45.179 31.774 50.996 1.00 0.00 N ATOM 0 H HIS A 6 39.788 31.856 54.184 1.00 0.00 H new ATOM 0 HA HIS A 6 39.827 31.423 51.953 1.00 0.00 H new ATOM 0 HB2 HIS A 6 41.640 29.750 52.205 1.00 0.00 H new ATOM 0 HB3 HIS A 6 41.221 30.453 50.655 1.00 0.00 H new ATOM 0 HD2 HIS A 6 43.462 33.122 51.270 1.00 0.00 H new ATOM 0 HE1 HIS A 6 46.222 29.876 50.861 1.00 0.00 H new ATOM 0 HE2 HIS A 6 45.940 32.438 50.854 1.00 0.00 H new ATOM 109 N LEU A 7 40.399 33.625 50.683 1.00 0.00 N ATOM 110 CA LEU A 7 40.286 35.012 50.250 1.00 0.00 C ATOM 111 C LEU A 7 41.675 35.709 50.038 1.00 0.00 C ATOM 112 O LEU A 7 42.726 35.071 50.014 1.00 0.00 O ATOM 113 CB LEU A 7 39.271 35.833 51.080 1.00 0.00 C ATOM 114 CG LEU A 7 37.785 35.383 51.052 1.00 0.00 C ATOM 115 CD1 LEU A 7 37.457 34.201 51.979 1.00 0.00 C ATOM 116 CD2 LEU A 7 36.894 36.582 51.429 1.00 0.00 C ATOM 0 H LEU A 7 40.051 32.952 50.000 1.00 0.00 H new ATOM 0 HA LEU A 7 39.848 34.979 49.253 1.00 0.00 H new ATOM 0 HB2 LEU A 7 39.604 35.827 52.118 1.00 0.00 H new ATOM 0 HB3 LEU A 7 39.315 36.867 50.737 1.00 0.00 H new ATOM 0 HG LEU A 7 37.591 35.033 50.038 1.00 0.00 H new ATOM 0 HD11 LEU A 7 36.398 33.955 51.895 1.00 0.00 H new ATOM 0 HD12 LEU A 7 38.054 33.336 51.691 1.00 0.00 H new ATOM 0 HD13 LEU A 7 37.685 34.473 53.010 1.00 0.00 H new ATOM 0 HD21 LEU A 7 35.848 36.277 51.412 1.00 0.00 H new ATOM 0 HD22 LEU A 7 37.155 36.929 52.429 1.00 0.00 H new ATOM 0 HD23 LEU A 7 37.048 37.389 50.713 1.00 0.00 H new ATOM 128 N GLY A 8 41.623 37.057 49.720 1.00 0.00 N ATOM 129 CA GLY A 8 42.828 37.798 49.331 1.00 0.00 C ATOM 130 C GLY A 8 43.080 37.688 47.813 1.00 0.00 C ATOM 131 O GLY A 8 43.479 38.659 47.178 1.00 0.00 O ATOM 0 H GLY A 8 40.769 37.615 49.733 1.00 0.00 H new ATOM 0 HA2 GLY A 8 42.720 38.846 49.610 1.00 0.00 H new ATOM 0 HA3 GLY A 8 43.689 37.410 49.875 1.00 0.00 H new ATOM 135 N THR A 9 42.907 36.436 47.256 1.00 0.00 N ATOM 136 CA THR A 9 43.099 36.117 45.846 1.00 0.00 C ATOM 137 C THR A 9 42.555 34.671 45.649 1.00 0.00 C ATOM 138 O THR A 9 41.879 34.391 44.662 1.00 0.00 O ATOM 139 CB THR A 9 44.561 36.123 45.285 1.00 0.00 C ATOM 140 OG1 THR A 9 45.222 37.384 45.425 1.00 0.00 O ATOM 141 CG2 THR A 9 44.637 35.835 43.778 1.00 0.00 C ATOM 0 H THR A 9 42.625 35.628 47.810 1.00 0.00 H new ATOM 0 HA THR A 9 42.589 36.912 45.303 1.00 0.00 H new ATOM 0 HB THR A 9 45.038 35.343 45.878 1.00 0.00 H new ATOM 0 HG1 THR A 9 44.700 37.963 46.018 1.00 0.00 H new ATOM 0 HG21 THR A 9 45.678 35.854 43.456 1.00 0.00 H new ATOM 0 HG22 THR A 9 44.212 34.852 43.574 1.00 0.00 H new ATOM 0 HG23 THR A 9 44.075 36.594 43.234 1.00 0.00 H new ATOM 149 N LYS A 10 42.875 33.739 46.628 1.00 0.00 N ATOM 150 CA LYS A 10 42.559 32.297 46.515 1.00 0.00 C ATOM 151 C LYS A 10 41.532 31.890 47.645 1.00 0.00 C ATOM 152 O LYS A 10 41.957 31.741 48.783 1.00 0.00 O ATOM 153 CB LYS A 10 43.837 31.412 46.620 1.00 0.00 C ATOM 154 CG LYS A 10 44.707 31.463 45.337 1.00 0.00 C ATOM 155 CD LYS A 10 45.819 30.393 45.221 1.00 0.00 C ATOM 156 CE LYS A 10 46.476 30.422 43.827 1.00 0.00 C ATOM 157 NZ LYS A 10 47.754 29.576 43.753 1.00 0.00 N ATOM 0 H LYS A 10 43.352 33.985 47.496 1.00 0.00 H new ATOM 0 HA LYS A 10 42.120 32.127 45.532 1.00 0.00 H new ATOM 0 HB2 LYS A 10 44.433 31.741 47.471 1.00 0.00 H new ATOM 0 HB3 LYS A 10 43.545 30.380 46.815 1.00 0.00 H new ATOM 0 HG2 LYS A 10 44.049 31.368 44.473 1.00 0.00 H new ATOM 0 HG3 LYS A 10 45.171 32.447 45.277 1.00 0.00 H new ATOM 0 HD2 LYS A 10 46.576 30.566 45.986 1.00 0.00 H new ATOM 0 HD3 LYS A 10 45.398 29.405 45.407 1.00 0.00 H new ATOM 0 HE2 LYS A 10 45.763 30.059 43.087 1.00 0.00 H new ATOM 0 HE3 LYS A 10 46.713 31.453 43.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 48.153 29.632 42.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 48.449 29.936 44.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 47.528 28.586 43.976 1.00 0.00 H new ATOM 171 N PRO A 11 40.193 31.577 47.335 1.00 0.00 N ATOM 172 CA PRO A 11 39.265 31.096 48.399 1.00 0.00 C ATOM 173 C PRO A 11 39.233 29.562 48.804 1.00 0.00 C ATOM 174 O PRO A 11 38.498 29.282 49.752 1.00 0.00 O ATOM 175 CB PRO A 11 37.859 31.577 47.994 1.00 0.00 C ATOM 176 CG PRO A 11 38.168 32.851 47.203 1.00 0.00 C ATOM 177 CD PRO A 11 39.412 32.425 46.419 1.00 0.00 C ATOM 0 HA PRO A 11 39.662 31.520 49.321 1.00 0.00 H new ATOM 0 HB2 PRO A 11 37.335 30.838 47.387 1.00 0.00 H new ATOM 0 HB3 PRO A 11 37.232 31.779 48.862 1.00 0.00 H new ATOM 0 HG2 PRO A 11 37.346 33.136 46.546 1.00 0.00 H new ATOM 0 HG3 PRO A 11 38.365 33.702 47.855 1.00 0.00 H new ATOM 0 HD2 PRO A 11 39.137 31.877 45.518 1.00 0.00 H new ATOM 0 HD3 PRO A 11 39.990 33.293 46.101 1.00 0.00 H new ATOM 185 N PRO A 12 40.084 28.588 48.268 1.00 0.00 N ATOM 186 CA PRO A 12 39.940 27.171 48.642 1.00 0.00 C ATOM 187 C PRO A 12 40.339 26.582 50.043 1.00 0.00 C ATOM 188 O PRO A 12 39.911 25.442 50.251 1.00 0.00 O ATOM 189 CB PRO A 12 40.878 26.466 47.645 1.00 0.00 C ATOM 190 CG PRO A 12 40.615 27.223 46.343 1.00 0.00 C ATOM 191 CD PRO A 12 40.463 28.662 46.851 1.00 0.00 C ATOM 0 HA PRO A 12 38.860 27.025 48.653 1.00 0.00 H new ATOM 0 HB2 PRO A 12 41.922 26.537 47.951 1.00 0.00 H new ATOM 0 HB3 PRO A 12 40.645 25.405 47.551 1.00 0.00 H new ATOM 0 HG2 PRO A 12 41.439 27.122 45.636 1.00 0.00 H new ATOM 0 HG3 PRO A 12 39.716 26.869 45.837 1.00 0.00 H new ATOM 0 HD2 PRO A 12 41.396 29.212 46.731 1.00 0.00 H new ATOM 0 HD3 PRO A 12 39.704 29.194 46.278 1.00 0.00 H new ATOM 199 N THR A 13 41.105 27.232 51.009 1.00 0.00 N ATOM 200 CA THR A 13 41.511 26.512 52.250 1.00 0.00 C ATOM 201 C THR A 13 40.908 27.017 53.608 1.00 0.00 C ATOM 202 O THR A 13 40.540 28.169 53.819 1.00 0.00 O ATOM 203 CB THR A 13 43.052 26.409 52.456 1.00 0.00 C ATOM 204 OG1 THR A 13 43.687 27.617 52.873 1.00 0.00 O ATOM 205 CG2 THR A 13 43.809 25.911 51.213 1.00 0.00 C ATOM 0 H THR A 13 41.428 28.197 50.942 1.00 0.00 H new ATOM 0 HA THR A 13 41.073 25.538 52.032 1.00 0.00 H new ATOM 0 HB THR A 13 43.116 25.677 53.261 1.00 0.00 H new ATOM 0 HG1 THR A 13 43.717 28.247 52.123 1.00 0.00 H new ATOM 0 HG21 THR A 13 44.876 25.865 51.431 1.00 0.00 H new ATOM 0 HG22 THR A 13 43.451 24.918 50.942 1.00 0.00 H new ATOM 0 HG23 THR A 13 43.638 26.597 50.383 1.00 0.00 H new ATOM 213 N THR A 14 40.935 26.042 54.583 1.00 0.00 N ATOM 214 CA THR A 14 40.419 26.154 55.946 1.00 0.00 C ATOM 215 C THR A 14 41.500 25.592 56.921 1.00 0.00 C ATOM 216 O THR A 14 42.271 24.681 56.621 1.00 0.00 O ATOM 217 CB THR A 14 39.056 25.478 56.082 1.00 0.00 C ATOM 218 OG1 THR A 14 39.155 24.073 55.838 1.00 0.00 O ATOM 219 CG2 THR A 14 38.055 26.154 55.117 1.00 0.00 C ATOM 0 H THR A 14 41.342 25.124 54.403 1.00 0.00 H new ATOM 0 HA THR A 14 40.237 27.197 56.205 1.00 0.00 H new ATOM 0 HB THR A 14 38.693 25.597 57.103 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.271 23.661 55.932 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.080 25.675 55.210 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.966 27.211 55.367 1.00 0.00 H new ATOM 0 HG23 THR A 14 38.413 26.053 54.092 1.00 0.00 H new ATOM 227 N GLU A 15 41.550 26.233 58.141 1.00 0.00 N ATOM 228 CA GLU A 15 42.668 26.063 59.084 1.00 0.00 C ATOM 229 C GLU A 15 42.137 25.200 60.269 1.00 0.00 C ATOM 230 O GLU A 15 41.562 25.684 61.243 1.00 0.00 O ATOM 231 CB GLU A 15 43.230 27.451 59.439 1.00 0.00 C ATOM 232 CG GLU A 15 44.372 27.542 60.470 1.00 0.00 C ATOM 233 CD GLU A 15 45.044 28.903 60.317 1.00 0.00 C ATOM 234 OE1 GLU A 15 44.651 29.951 60.800 1.00 0.00 O ATOM 235 OE2 GLU A 15 46.133 28.822 59.552 1.00 0.00 O ATOM 0 H GLU A 15 40.822 26.865 58.473 1.00 0.00 H new ATOM 0 HA GLU A 15 43.523 25.523 58.676 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.580 27.913 58.516 1.00 0.00 H new ATOM 0 HB3 GLU A 15 42.403 28.059 59.806 1.00 0.00 H new ATOM 0 HG2 GLU A 15 43.982 27.422 61.481 1.00 0.00 H new ATOM 0 HG3 GLU A 15 45.094 26.741 60.310 1.00 0.00 H new ATOM 243 N THR A 16 42.368 23.832 60.124 1.00 0.00 N ATOM 244 CA THR A 16 42.021 22.811 61.136 1.00 0.00 C ATOM 245 C THR A 16 43.119 23.062 62.228 1.00 0.00 C ATOM 246 O THR A 16 44.246 22.584 62.091 1.00 0.00 O ATOM 247 CB THR A 16 42.088 21.336 60.619 1.00 0.00 C ATOM 248 OG1 THR A 16 41.378 21.209 59.381 1.00 0.00 O ATOM 249 CG2 THR A 16 41.512 20.308 61.608 1.00 0.00 C ATOM 0 H THR A 16 42.802 23.436 59.290 1.00 0.00 H new ATOM 0 HA THR A 16 40.989 22.909 61.473 1.00 0.00 H new ATOM 0 HB THR A 16 43.149 21.120 60.492 1.00 0.00 H new ATOM 0 HG1 THR A 16 41.429 20.282 59.068 1.00 0.00 H new ATOM 0 HG21 THR A 16 41.592 19.308 61.182 1.00 0.00 H new ATOM 0 HG22 THR A 16 42.071 20.350 62.543 1.00 0.00 H new ATOM 0 HG23 THR A 16 40.464 20.537 61.801 1.00 0.00 H new ATOM 257 N CYS A 17 42.788 23.812 63.356 1.00 0.00 N ATOM 258 CA CYS A 17 43.869 24.309 64.233 1.00 0.00 C ATOM 259 C CYS A 17 43.719 23.908 65.729 1.00 0.00 C ATOM 260 O CYS A 17 42.643 23.675 66.278 1.00 0.00 O ATOM 261 CB CYS A 17 43.918 25.824 64.106 1.00 0.00 C ATOM 262 SG CYS A 17 45.320 26.683 64.867 1.00 0.00 S ATOM 0 H CYS A 17 41.840 24.058 63.642 1.00 0.00 H new ATOM 0 HA CYS A 17 44.796 23.841 63.901 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.907 26.073 63.045 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.002 26.227 64.538 1.00 0.00 H new ATOM 267 N GLN A 18 44.927 23.930 66.389 1.00 0.00 N ATOM 268 CA GLN A 18 45.135 23.528 67.776 1.00 0.00 C ATOM 269 C GLN A 18 45.006 24.725 68.774 1.00 0.00 C ATOM 270 O GLN A 18 44.993 24.484 69.982 1.00 0.00 O ATOM 271 CB GLN A 18 46.482 22.793 67.957 1.00 0.00 C ATOM 272 CG GLN A 18 47.786 23.627 67.821 1.00 0.00 C ATOM 273 CD GLN A 18 48.206 23.977 66.394 1.00 0.00 C ATOM 274 OE1 GLN A 18 47.662 23.560 65.389 1.00 0.00 O ATOM 275 NE2 GLN A 18 49.278 24.799 66.326 1.00 0.00 N ATOM 0 H GLN A 18 45.787 24.240 65.936 1.00 0.00 H new ATOM 0 HA GLN A 18 44.335 22.829 68.018 1.00 0.00 H new ATOM 0 HB2 GLN A 18 46.481 22.331 68.944 1.00 0.00 H new ATOM 0 HB3 GLN A 18 46.523 21.985 67.227 1.00 0.00 H new ATOM 0 HG2 GLN A 18 47.662 24.554 68.381 1.00 0.00 H new ATOM 0 HG3 GLN A 18 48.599 23.075 68.294 1.00 0.00 H new ATOM 0 HE21 GLN A 18 49.717 25.136 67.183 1.00 0.00 H new ATOM 0 HE22 GLN A 18 49.647 25.082 65.418 1.00 0.00 H new ATOM 284 N GLU A 19 44.925 26.039 68.311 1.00 0.00 N ATOM 285 CA GLU A 19 44.665 27.144 69.240 1.00 0.00 C ATOM 286 C GLU A 19 43.147 27.005 69.673 1.00 0.00 C ATOM 287 O GLU A 19 42.223 26.960 68.858 1.00 0.00 O ATOM 288 CB GLU A 19 44.899 28.559 68.646 1.00 0.00 C ATOM 289 CG GLU A 19 46.307 29.173 68.830 1.00 0.00 C ATOM 290 CD GLU A 19 47.435 28.377 68.193 1.00 0.00 C ATOM 291 OE1 GLU A 19 48.260 27.715 68.783 1.00 0.00 O ATOM 292 OE2 GLU A 19 47.455 28.538 66.869 1.00 0.00 O ATOM 0 H GLU A 19 45.036 26.315 67.335 1.00 0.00 H new ATOM 0 HA GLU A 19 45.368 27.065 70.069 1.00 0.00 H new ATOM 0 HB2 GLU A 19 44.684 28.518 67.578 1.00 0.00 H new ATOM 0 HB3 GLU A 19 44.172 29.238 69.092 1.00 0.00 H new ATOM 0 HG2 GLU A 19 46.308 30.179 68.410 1.00 0.00 H new ATOM 0 HG3 GLU A 19 46.508 29.273 69.897 1.00 0.00 H new ATOM 300 N ASP A 20 42.939 27.020 71.046 1.00 0.00 N ATOM 301 CA ASP A 20 41.704 26.804 71.805 1.00 0.00 C ATOM 302 C ASP A 20 40.549 27.874 71.578 1.00 0.00 C ATOM 303 O ASP A 20 39.561 27.853 72.320 1.00 0.00 O ATOM 304 CB ASP A 20 41.204 25.347 71.883 1.00 0.00 C ATOM 305 CG ASP A 20 40.741 24.776 70.526 1.00 0.00 C ATOM 306 OD1 ASP A 20 39.613 25.118 70.167 1.00 0.00 O ATOM 307 OD2 ASP A 20 41.536 24.096 69.876 1.00 0.00 O ATOM 0 H ASP A 20 43.720 27.202 71.676 1.00 0.00 H new ATOM 0 HA ASP A 20 42.049 27.011 72.818 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.003 24.719 72.278 1.00 0.00 H new ATOM 0 HB3 ASP A 20 40.377 25.294 72.591 1.00 0.00 H new ATOM 312 N SER A 21 40.676 28.864 70.622 1.00 0.00 N ATOM 313 CA SER A 21 39.669 29.886 70.331 1.00 0.00 C ATOM 314 C SER A 21 39.989 30.459 68.911 1.00 0.00 C ATOM 315 O SER A 21 41.153 30.486 68.496 1.00 0.00 O ATOM 316 CB SER A 21 39.622 31.086 71.329 1.00 0.00 C ATOM 317 OG SER A 21 38.926 30.803 72.538 1.00 0.00 O ATOM 0 H SER A 21 41.507 28.951 70.037 1.00 0.00 H new ATOM 0 HA SER A 21 38.699 29.395 70.410 1.00 0.00 H new ATOM 0 HB2 SER A 21 40.642 31.386 71.570 1.00 0.00 H new ATOM 0 HB3 SER A 21 39.147 31.936 70.838 1.00 0.00 H new ATOM 0 HG SER A 21 38.972 29.842 72.725 1.00 0.00 H new ATOM 323 N CYS A 22 38.930 30.932 68.145 1.00 0.00 N ATOM 324 CA CYS A 22 39.217 31.437 66.806 1.00 0.00 C ATOM 325 C CYS A 22 38.413 32.732 66.438 1.00 0.00 C ATOM 326 O CYS A 22 37.293 32.976 66.875 1.00 0.00 O ATOM 327 CB CYS A 22 39.301 30.278 65.757 1.00 0.00 C ATOM 328 SG CYS A 22 37.942 29.194 65.177 1.00 0.00 S ATOM 0 H CYS A 22 37.952 30.961 68.434 1.00 0.00 H new ATOM 0 HA CYS A 22 40.230 31.839 66.786 1.00 0.00 H new ATOM 0 HB2 CYS A 22 39.706 30.737 64.855 1.00 0.00 H new ATOM 0 HB3 CYS A 22 40.064 29.600 66.140 1.00 0.00 H new ATOM 333 N TYR A 23 39.112 33.624 65.632 1.00 0.00 N ATOM 334 CA TYR A 23 38.756 35.052 65.499 1.00 0.00 C ATOM 335 C TYR A 23 38.365 35.521 64.079 1.00 0.00 C ATOM 336 O TYR A 23 38.763 34.918 63.087 1.00 0.00 O ATOM 337 CB TYR A 23 40.005 35.920 65.904 1.00 0.00 C ATOM 338 CG TYR A 23 41.206 35.689 64.998 1.00 0.00 C ATOM 339 CD1 TYR A 23 41.336 36.321 63.761 1.00 0.00 C ATOM 340 CD2 TYR A 23 42.227 34.820 65.371 1.00 0.00 C ATOM 341 CE1 TYR A 23 42.422 36.096 62.930 1.00 0.00 C ATOM 342 CE2 TYR A 23 43.329 34.584 64.558 1.00 0.00 C ATOM 343 CZ TYR A 23 43.442 35.210 63.317 1.00 0.00 C ATOM 344 OH TYR A 23 44.482 34.990 62.466 1.00 0.00 O ATOM 0 H TYR A 23 39.922 33.352 65.075 1.00 0.00 H new ATOM 0 HA TYR A 23 37.882 35.177 66.138 1.00 0.00 H new ATOM 0 HB2 TYR A 23 39.732 36.975 65.876 1.00 0.00 H new ATOM 0 HB3 TYR A 23 40.283 35.690 66.933 1.00 0.00 H new ATOM 0 HD1 TYR A 23 40.566 37.007 63.441 1.00 0.00 H new ATOM 0 HD2 TYR A 23 42.161 34.313 66.322 1.00 0.00 H new ATOM 0 HE1 TYR A 23 42.485 36.605 61.979 1.00 0.00 H new ATOM 0 HE2 TYR A 23 44.105 33.910 64.890 1.00 0.00 H new ATOM 0 HH TYR A 23 45.108 34.355 62.872 1.00 0.00 H new ATOM 354 N LYS A 24 37.623 36.692 64.031 1.00 0.00 N ATOM 355 CA LYS A 24 37.121 37.321 62.806 1.00 0.00 C ATOM 356 C LYS A 24 38.007 38.587 62.518 1.00 0.00 C ATOM 357 O LYS A 24 38.146 39.511 63.319 1.00 0.00 O ATOM 358 CB LYS A 24 35.652 37.746 62.989 1.00 0.00 C ATOM 359 CG LYS A 24 34.676 36.673 63.521 1.00 0.00 C ATOM 360 CD LYS A 24 33.241 37.224 63.582 1.00 0.00 C ATOM 361 CE LYS A 24 32.184 36.273 64.154 1.00 0.00 C ATOM 362 NZ LYS A 24 31.674 35.367 63.031 1.00 0.00 N ATOM 0 H LYS A 24 37.370 37.209 64.873 1.00 0.00 H new ATOM 0 HA LYS A 24 37.172 36.618 61.975 1.00 0.00 H new ATOM 0 HB2 LYS A 24 35.627 38.596 63.671 1.00 0.00 H new ATOM 0 HB3 LYS A 24 35.278 38.098 62.028 1.00 0.00 H new ATOM 0 HG2 LYS A 24 34.706 35.795 62.876 1.00 0.00 H new ATOM 0 HG3 LYS A 24 34.989 36.350 64.514 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.247 38.134 64.182 1.00 0.00 H new ATOM 0 HD3 LYS A 24 32.938 37.509 62.574 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.612 35.673 64.958 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.359 36.841 64.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 30.908 34.764 63.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 31.315 35.952 62.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 32.452 34.769 62.687 1.00 0.00 H new ATOM 376 N ASN A 25 38.613 38.611 61.280 1.00 0.00 N ATOM 377 CA ASN A 25 39.449 39.704 60.758 1.00 0.00 C ATOM 378 C ASN A 25 38.664 40.186 59.481 1.00 0.00 C ATOM 379 O ASN A 25 38.448 39.399 58.561 1.00 0.00 O ATOM 380 CB ASN A 25 40.851 39.220 60.431 1.00 0.00 C ATOM 381 CG ASN A 25 41.717 40.309 59.833 1.00 0.00 C ATOM 382 OD1 ASN A 25 41.432 40.602 58.546 1.00 0.00 O flip ATOM 383 ND2 ASN A 25 42.600 40.879 60.444 1.00 0.00 N flip ATOM 0 H ASN A 25 38.518 37.841 60.618 1.00 0.00 H new ATOM 0 HA ASN A 25 39.602 40.510 61.475 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.322 38.843 61.339 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.790 38.385 59.733 1.00 0.00 H new ATOM 0 HD21 ASN A 25 42.789 40.633 61.416 1.00 0.00 H new ATOM 0 HD22 ASN A 25 43.152 41.604 59.985 1.00 0.00 H new ATOM 390 N ILE A 26 38.266 41.519 59.423 1.00 0.00 N ATOM 391 CA ILE A 26 37.174 41.988 58.519 1.00 0.00 C ATOM 392 C ILE A 26 37.418 43.365 57.787 1.00 0.00 C ATOM 393 O ILE A 26 36.514 43.991 57.237 1.00 0.00 O ATOM 394 CB ILE A 26 35.911 42.091 59.407 1.00 0.00 C ATOM 395 CG1 ILE A 26 35.960 43.072 60.612 1.00 0.00 C ATOM 396 CG2 ILE A 26 35.541 40.710 59.979 1.00 0.00 C ATOM 397 CD1 ILE A 26 36.192 44.558 60.331 1.00 0.00 C ATOM 0 H ILE A 26 38.686 42.258 59.986 1.00 0.00 H new ATOM 0 HA ILE A 26 37.094 41.273 57.700 1.00 0.00 H new ATOM 0 HB ILE A 26 35.174 42.494 58.712 1.00 0.00 H new ATOM 0 HG12 ILE A 26 35.019 42.980 61.154 1.00 0.00 H new ATOM 0 HG13 ILE A 26 36.749 42.734 61.284 1.00 0.00 H new ATOM 0 HG21 ILE A 26 34.651 40.801 60.601 1.00 0.00 H new ATOM 0 HG22 ILE A 26 35.343 40.018 59.160 1.00 0.00 H new ATOM 0 HG23 ILE A 26 36.367 40.332 60.581 1.00 0.00 H new ATOM 0 HD11 ILE A 26 36.200 45.109 61.271 1.00 0.00 H new ATOM 0 HD12 ILE A 26 37.149 44.688 59.826 1.00 0.00 H new ATOM 0 HD13 ILE A 26 35.392 44.937 59.695 1.00 0.00 H new ATOM 409 N TRP A 27 38.727 43.774 57.771 1.00 0.00 N ATOM 410 CA TRP A 27 39.270 45.126 57.531 1.00 0.00 C ATOM 411 C TRP A 27 40.548 44.919 56.617 1.00 0.00 C ATOM 412 O TRP A 27 40.419 44.577 55.446 1.00 0.00 O ATOM 413 CB TRP A 27 39.568 45.896 58.885 1.00 0.00 C ATOM 414 CG TRP A 27 39.834 44.972 60.050 1.00 0.00 C ATOM 415 CD1 TRP A 27 40.379 43.668 59.942 1.00 0.00 C ATOM 416 CD2 TRP A 27 39.441 45.057 61.387 1.00 0.00 C ATOM 417 NE1 TRP A 27 40.189 42.926 61.066 1.00 0.00 N ATOM 418 CE2 TRP A 27 39.637 43.806 61.974 1.00 0.00 C ATOM 419 CE3 TRP A 27 38.833 46.060 62.183 1.00 0.00 C ATOM 420 CZ2 TRP A 27 39.260 43.457 63.228 1.00 0.00 C ATOM 421 CZ3 TRP A 27 38.504 45.765 63.499 1.00 0.00 C ATOM 422 CH2 TRP A 27 38.711 44.470 64.020 1.00 0.00 C ATOM 0 H TRP A 27 39.477 43.104 57.940 1.00 0.00 H new ATOM 0 HA TRP A 27 38.550 45.770 57.026 1.00 0.00 H new ATOM 0 HB2 TRP A 27 40.430 46.548 58.742 1.00 0.00 H new ATOM 0 HB3 TRP A 27 38.720 46.537 59.125 1.00 0.00 H new ATOM 0 HD1 TRP A 27 40.890 43.303 59.063 1.00 0.00 H new ATOM 0 HE1 TRP A 27 40.406 41.939 61.206 1.00 0.00 H new ATOM 0 HE3 TRP A 27 38.629 47.038 61.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 39.378 42.449 63.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 38.085 46.535 64.131 1.00 0.00 H new ATOM 0 HH2 TRP A 27 38.442 44.259 65.044 1.00 0.00 H new ATOM 433 N THR A 28 41.805 45.136 57.186 1.00 0.00 N ATOM 434 CA THR A 28 43.100 44.881 56.548 1.00 0.00 C ATOM 435 C THR A 28 43.401 45.769 55.280 1.00 0.00 C ATOM 436 O THR A 28 42.527 46.385 54.678 1.00 0.00 O ATOM 437 CB THR A 28 43.444 43.345 56.348 1.00 0.00 C ATOM 438 OG1 THR A 28 43.965 42.763 57.547 1.00 0.00 O ATOM 439 CG2 THR A 28 42.384 42.437 55.706 1.00 0.00 C ATOM 0 H THR A 28 41.907 45.505 58.131 1.00 0.00 H new ATOM 0 HA THR A 28 43.816 45.229 57.293 1.00 0.00 H new ATOM 0 HB THR A 28 44.212 43.387 55.575 1.00 0.00 H new ATOM 0 HG1 THR A 28 44.165 41.816 57.391 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.769 41.420 55.639 1.00 0.00 H new ATOM 0 HG22 THR A 28 41.481 42.444 56.317 1.00 0.00 H new ATOM 0 HG23 THR A 28 42.149 42.803 54.707 1.00 0.00 H new ATOM 447 N PHE A 29 44.742 45.852 54.909 1.00 0.00 N ATOM 448 CA PHE A 29 45.172 46.671 53.764 1.00 0.00 C ATOM 449 C PHE A 29 44.539 46.133 52.452 1.00 0.00 C ATOM 450 O PHE A 29 44.111 46.926 51.613 1.00 0.00 O ATOM 451 CB PHE A 29 46.705 46.723 53.636 1.00 0.00 C ATOM 452 CG PHE A 29 47.230 47.509 52.442 1.00 0.00 C ATOM 453 CD1 PHE A 29 47.107 48.900 52.352 1.00 0.00 C ATOM 454 CD2 PHE A 29 47.949 46.853 51.436 1.00 0.00 C ATOM 455 CE1 PHE A 29 47.699 49.616 51.308 1.00 0.00 C ATOM 456 CE2 PHE A 29 48.549 47.553 50.390 1.00 0.00 C ATOM 457 CZ PHE A 29 48.437 48.946 50.326 1.00 0.00 C ATOM 0 H PHE A 29 45.499 45.366 55.390 1.00 0.00 H new ATOM 0 HA PHE A 29 44.825 47.689 53.940 1.00 0.00 H new ATOM 0 HB2 PHE A 29 47.115 47.160 54.547 1.00 0.00 H new ATOM 0 HB3 PHE A 29 47.083 45.703 53.574 1.00 0.00 H new ATOM 0 HD1 PHE A 29 46.543 49.431 53.105 1.00 0.00 H new ATOM 0 HD2 PHE A 29 48.041 45.778 51.471 1.00 0.00 H new ATOM 0 HE1 PHE A 29 47.587 50.689 51.259 1.00 0.00 H new ATOM 0 HE2 PHE A 29 49.100 47.020 49.629 1.00 0.00 H new ATOM 0 HZ PHE A 29 48.914 49.497 49.529 1.00 0.00 H new ATOM 467 N ASP A 30 44.488 44.766 52.272 1.00 0.00 N ATOM 468 CA ASP A 30 43.903 44.120 51.106 1.00 0.00 C ATOM 469 C ASP A 30 42.328 44.212 51.082 1.00 0.00 C ATOM 470 O ASP A 30 41.757 43.754 50.091 1.00 0.00 O ATOM 471 CB ASP A 30 44.451 42.694 50.873 1.00 0.00 C ATOM 472 CG ASP A 30 44.401 41.669 52.034 1.00 0.00 C ATOM 473 OD1 ASP A 30 44.519 42.138 53.169 1.00 0.00 O ATOM 474 OD2 ASP A 30 44.320 40.481 51.706 1.00 0.00 O ATOM 0 H ASP A 30 44.862 44.106 52.954 1.00 0.00 H new ATOM 0 HA ASP A 30 44.233 44.694 50.240 1.00 0.00 H new ATOM 0 HB2 ASP A 30 43.905 42.265 50.032 1.00 0.00 H new ATOM 0 HB3 ASP A 30 45.492 42.788 50.563 1.00 0.00 H new ATOM 479 N ASN A 31 41.590 44.837 52.092 1.00 0.00 N ATOM 480 CA ASN A 31 40.145 45.091 52.025 1.00 0.00 C ATOM 481 C ASN A 31 39.440 43.712 51.922 1.00 0.00 C ATOM 482 O ASN A 31 38.833 43.398 50.897 1.00 0.00 O ATOM 483 CB ASN A 31 39.747 46.091 50.939 1.00 0.00 C ATOM 484 CG ASN A 31 39.989 47.517 51.404 1.00 0.00 C ATOM 485 OD1 ASN A 31 39.121 48.201 51.915 1.00 0.00 O ATOM 486 ND2 ASN A 31 41.242 47.980 51.212 1.00 0.00 N ATOM 0 H ASN A 31 42.015 45.165 52.960 1.00 0.00 H new ATOM 0 HA ASN A 31 39.811 45.596 52.931 1.00 0.00 H new ATOM 0 HB2 ASN A 31 40.320 45.897 50.032 1.00 0.00 H new ATOM 0 HB3 ASN A 31 38.695 45.960 50.685 1.00 0.00 H new ATOM 0 HD21 ASN A 31 41.485 48.929 51.498 1.00 0.00 H new ATOM 0 HD22 ASN A 31 41.946 47.381 50.781 1.00 0.00 H new ATOM 493 N ILE A 32 39.458 42.910 53.059 1.00 0.00 N ATOM 494 CA ILE A 32 38.957 41.553 52.917 1.00 0.00 C ATOM 495 C ILE A 32 38.692 40.835 54.281 1.00 0.00 C ATOM 496 O ILE A 32 39.085 41.307 55.347 1.00 0.00 O ATOM 497 CB ILE A 32 39.939 40.691 52.066 1.00 0.00 C ATOM 498 CG1 ILE A 32 39.314 39.551 51.241 1.00 0.00 C ATOM 499 CG2 ILE A 32 41.112 40.174 52.919 1.00 0.00 C ATOM 500 CD1 ILE A 32 38.254 40.024 50.228 1.00 0.00 C ATOM 0 H ILE A 32 39.789 43.181 53.985 1.00 0.00 H new ATOM 0 HA ILE A 32 37.996 41.646 52.411 1.00 0.00 H new ATOM 0 HB ILE A 32 40.305 41.390 51.313 1.00 0.00 H new ATOM 0 HG12 ILE A 32 40.106 39.026 50.706 1.00 0.00 H new ATOM 0 HG13 ILE A 32 38.858 38.831 51.921 1.00 0.00 H new ATOM 0 HG21 ILE A 32 41.779 39.577 52.297 1.00 0.00 H new ATOM 0 HG22 ILE A 32 41.662 41.020 53.332 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.727 39.559 53.733 1.00 0.00 H new ATOM 0 HD11 ILE A 32 37.860 39.165 49.685 1.00 0.00 H new ATOM 0 HD12 ILE A 32 37.442 40.522 50.757 1.00 0.00 H new ATOM 0 HD13 ILE A 32 38.709 40.720 49.524 1.00 0.00 H new ATOM 512 N ILE A 33 37.993 39.643 54.195 1.00 0.00 N ATOM 513 CA ILE A 33 37.655 38.834 55.383 1.00 0.00 C ATOM 514 C ILE A 33 38.630 37.613 55.279 1.00 0.00 C ATOM 515 O ILE A 33 38.514 36.750 54.414 1.00 0.00 O ATOM 516 CB ILE A 33 36.183 38.433 55.549 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.175 39.618 55.582 1.00 0.00 C ATOM 518 CG2 ILE A 33 35.975 37.579 56.820 1.00 0.00 C ATOM 519 CD1 ILE A 33 35.025 40.490 54.321 1.00 0.00 C ATOM 0 H ILE A 33 37.666 39.244 53.315 1.00 0.00 H new ATOM 0 HA ILE A 33 37.783 39.422 56.292 1.00 0.00 H new ATOM 0 HB ILE A 33 35.967 37.858 54.649 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.193 39.211 55.823 1.00 0.00 H new ATOM 0 HG13 ILE A 33 35.460 40.273 56.406 1.00 0.00 H new ATOM 0 HG21 ILE A 33 34.922 37.311 56.910 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.576 36.672 56.751 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.280 38.151 57.696 1.00 0.00 H new ATOM 0 HD11 ILE A 33 34.287 41.271 54.504 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.984 40.947 54.079 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.698 39.870 53.487 1.00 0.00 H new ATOM 531 N ARG A 34 39.682 37.566 56.186 1.00 0.00 N ATOM 532 CA ARG A 34 40.798 36.640 55.963 1.00 0.00 C ATOM 533 C ARG A 34 41.374 36.466 57.387 1.00 0.00 C ATOM 534 O ARG A 34 42.266 37.151 57.880 1.00 0.00 O ATOM 535 CB ARG A 34 41.785 37.218 54.947 1.00 0.00 C ATOM 536 CG ARG A 34 43.073 36.450 54.593 1.00 0.00 C ATOM 537 CD ARG A 34 43.887 37.250 53.553 1.00 0.00 C ATOM 538 NE ARG A 34 44.289 38.650 53.853 1.00 0.00 N ATOM 539 CZ ARG A 34 44.688 39.182 54.998 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.557 38.565 56.139 1.00 0.00 N ATOM 541 NH2 ARG A 34 45.258 40.353 54.972 1.00 0.00 N ATOM 0 H ARG A 34 39.753 38.139 57.027 1.00 0.00 H new ATOM 0 HA ARG A 34 40.523 35.680 55.525 1.00 0.00 H new ATOM 0 HB2 ARG A 34 41.237 37.375 54.018 1.00 0.00 H new ATOM 0 HB3 ARG A 34 42.085 38.201 55.311 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.670 36.289 55.491 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.824 35.466 54.195 1.00 0.00 H new ATOM 0 HD2 ARG A 34 44.797 36.686 53.348 1.00 0.00 H new ATOM 0 HD3 ARG A 34 43.308 37.268 52.630 1.00 0.00 H new ATOM 0 HE ARG A 34 44.252 39.293 53.062 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.134 37.637 56.172 1.00 0.00 H new ATOM 0 HH12 ARG A 34 44.878 39.010 56.999 1.00 0.00 H new ATOM 0 HH21 ARG A 34 45.388 40.838 54.084 1.00 0.00 H new ATOM 0 HH22 ARG A 34 45.575 40.785 55.840 1.00 0.00 H new ATOM 555 N ARG A 35 40.683 35.492 58.061 1.00 0.00 N ATOM 556 CA ARG A 35 40.676 35.265 59.500 1.00 0.00 C ATOM 557 C ARG A 35 41.254 33.888 59.916 1.00 0.00 C ATOM 558 O ARG A 35 41.809 33.183 59.080 1.00 0.00 O ATOM 559 CB ARG A 35 39.197 35.482 59.878 1.00 0.00 C ATOM 560 CG ARG A 35 38.212 34.460 59.264 1.00 0.00 C ATOM 561 CD ARG A 35 36.701 34.704 59.496 1.00 0.00 C ATOM 562 NE ARG A 35 36.040 34.397 60.779 1.00 0.00 N ATOM 563 CZ ARG A 35 36.207 33.299 61.496 1.00 0.00 C ATOM 564 NH1 ARG A 35 37.383 32.896 61.863 1.00 0.00 N ATOM 565 NH2 ARG A 35 35.153 32.614 61.826 1.00 0.00 N ATOM 0 H ARG A 35 40.093 34.823 57.567 1.00 0.00 H new ATOM 0 HA ARG A 35 41.339 35.940 60.041 1.00 0.00 H new ATOM 0 HB2 ARG A 35 39.105 35.446 60.964 1.00 0.00 H new ATOM 0 HB3 ARG A 35 38.900 36.483 59.566 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.387 34.426 58.189 1.00 0.00 H new ATOM 0 HG3 ARG A 35 38.459 33.474 59.658 1.00 0.00 H new ATOM 0 HD2 ARG A 35 36.521 35.760 59.296 1.00 0.00 H new ATOM 0 HD3 ARG A 35 36.172 34.139 58.729 1.00 0.00 H new ATOM 0 HE ARG A 35 35.395 35.096 61.147 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.211 33.430 61.599 1.00 0.00 H new ATOM 0 HH12 ARG A 35 37.481 32.045 62.416 1.00 0.00 H new ATOM 0 HH21 ARG A 35 34.228 32.928 61.532 1.00 0.00 H new ATOM 0 HH22 ARG A 35 35.251 31.762 62.379 1.00 0.00 H new ATOM 579 N GLY A 36 41.172 33.532 61.258 1.00 0.00 N ATOM 580 CA GLY A 36 41.926 32.317 61.590 1.00 0.00 C ATOM 581 C GLY A 36 41.918 31.892 63.065 1.00 0.00 C ATOM 582 O GLY A 36 41.086 32.345 63.843 1.00 0.00 O ATOM 0 H GLY A 36 40.665 34.005 62.006 1.00 0.00 H new ATOM 0 HA2 GLY A 36 41.528 31.495 60.995 1.00 0.00 H new ATOM 0 HA3 GLY A 36 42.961 32.462 61.282 1.00 0.00 H new ATOM 586 N CYS A 37 42.875 30.954 63.418 1.00 0.00 N ATOM 587 CA CYS A 37 42.976 30.405 64.781 1.00 0.00 C ATOM 588 C CYS A 37 44.016 31.229 65.611 1.00 0.00 C ATOM 589 O CYS A 37 45.192 31.348 65.267 1.00 0.00 O ATOM 590 CB CYS A 37 43.339 28.895 64.793 1.00 0.00 C ATOM 591 SG CYS A 37 44.915 28.499 63.966 1.00 0.00 S ATOM 0 H CYS A 37 43.568 30.583 62.768 1.00 0.00 H new ATOM 0 HA CYS A 37 41.991 30.492 65.241 1.00 0.00 H new ATOM 0 HB2 CYS A 37 43.388 28.553 65.827 1.00 0.00 H new ATOM 0 HB3 CYS A 37 42.538 28.336 64.310 1.00 0.00 H new ATOM 596 N GLY A 38 43.533 31.877 66.746 1.00 0.00 N ATOM 597 CA GLY A 38 44.479 32.620 67.569 1.00 0.00 C ATOM 598 C GLY A 38 43.751 32.926 68.896 1.00 0.00 C ATOM 599 O GLY A 38 43.691 32.110 69.812 1.00 0.00 O ATOM 0 H GLY A 38 42.563 31.882 67.062 1.00 0.00 H new ATOM 0 HA2 GLY A 38 45.382 32.036 67.747 1.00 0.00 H new ATOM 0 HA3 GLY A 38 44.787 33.541 67.073 1.00 0.00 H new ATOM 603 N CYS A 39 43.162 34.177 68.968 1.00 0.00 N ATOM 604 CA CYS A 39 42.438 34.659 70.145 1.00 0.00 C ATOM 605 C CYS A 39 43.456 35.205 71.189 1.00 0.00 C ATOM 606 O CYS A 39 43.425 36.375 71.569 1.00 0.00 O ATOM 607 CB CYS A 39 41.385 35.681 69.722 1.00 0.00 C ATOM 608 SG CYS A 39 40.538 36.439 71.136 1.00 0.00 S ATOM 0 H CYS A 39 43.192 34.851 68.203 1.00 0.00 H new ATOM 0 HA CYS A 39 41.897 33.846 70.629 1.00 0.00 H new ATOM 0 HB2 CYS A 39 41.860 36.461 69.127 1.00 0.00 H new ATOM 0 HB3 CYS A 39 40.650 35.195 69.081 1.00 0.00 H new ATOM 613 N PHE A 40 44.378 34.287 71.654 1.00 0.00 N ATOM 614 CA PHE A 40 45.441 34.632 72.601 1.00 0.00 C ATOM 615 C PHE A 40 46.542 35.250 71.660 1.00 0.00 C ATOM 616 O PHE A 40 47.587 34.658 71.407 1.00 0.00 O ATOM 617 CB PHE A 40 45.877 33.427 73.515 1.00 0.00 C ATOM 618 CG PHE A 40 44.991 32.189 73.368 1.00 0.00 C ATOM 619 CD1 PHE A 40 43.677 32.170 73.857 1.00 0.00 C ATOM 620 CD2 PHE A 40 45.443 31.053 72.684 1.00 0.00 C ATOM 621 CE1 PHE A 40 42.832 31.085 73.639 1.00 0.00 C ATOM 622 CE2 PHE A 40 44.614 29.955 72.465 1.00 0.00 C ATOM 623 CZ PHE A 40 43.303 29.972 72.944 1.00 0.00 C ATOM 0 H PHE A 40 44.383 33.307 71.371 1.00 0.00 H new ATOM 0 HA PHE A 40 45.149 35.342 73.375 1.00 0.00 H new ATOM 0 HB2 PHE A 40 46.906 33.156 73.277 1.00 0.00 H new ATOM 0 HB3 PHE A 40 45.865 33.750 74.556 1.00 0.00 H new ATOM 0 HD1 PHE A 40 43.311 33.018 74.417 1.00 0.00 H new ATOM 0 HD2 PHE A 40 46.459 31.028 72.318 1.00 0.00 H new ATOM 0 HE1 PHE A 40 41.817 31.106 74.007 1.00 0.00 H new ATOM 0 HE2 PHE A 40 44.984 29.095 71.927 1.00 0.00 H new ATOM 0 HZ PHE A 40 42.655 29.125 72.777 1.00 0.00 H new ATOM 735 N GLY A 48 45.189 44.017 66.479 1.00 0.00 N ATOM 736 CA GLY A 48 44.680 42.637 66.490 1.00 0.00 C ATOM 737 C GLY A 48 43.153 42.502 66.151 1.00 0.00 C ATOM 738 O GLY A 48 42.392 43.452 66.309 1.00 0.00 O ATOM 0 HA2 GLY A 48 45.252 42.047 65.774 1.00 0.00 H new ATOM 0 HA3 GLY A 48 44.860 42.205 67.474 1.00 0.00 H new ATOM 742 N PRO A 49 42.711 41.230 65.797 1.00 0.00 N ATOM 743 CA PRO A 49 41.297 40.908 65.483 1.00 0.00 C ATOM 744 C PRO A 49 40.296 40.914 66.690 1.00 0.00 C ATOM 745 O PRO A 49 40.659 41.257 67.812 1.00 0.00 O ATOM 746 CB PRO A 49 41.368 39.451 64.985 1.00 0.00 C ATOM 747 CG PRO A 49 42.699 39.451 64.244 1.00 0.00 C ATOM 748 CD PRO A 49 43.576 40.177 65.255 1.00 0.00 C ATOM 0 HA PRO A 49 40.920 41.665 64.795 1.00 0.00 H new ATOM 0 HB2 PRO A 49 41.355 38.735 65.807 1.00 0.00 H new ATOM 0 HB3 PRO A 49 40.533 39.200 64.330 1.00 0.00 H new ATOM 0 HG2 PRO A 49 43.056 38.443 64.033 1.00 0.00 H new ATOM 0 HG3 PRO A 49 42.643 39.976 63.290 1.00 0.00 H new ATOM 0 HD2 PRO A 49 43.920 39.503 66.039 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.464 40.596 64.782 1.00 0.00 H new ATOM 756 N TYR A 50 39.007 40.481 66.408 1.00 0.00 N ATOM 757 CA TYR A 50 37.959 40.372 67.456 1.00 0.00 C ATOM 758 C TYR A 50 37.371 38.905 67.466 1.00 0.00 C ATOM 759 O TYR A 50 37.274 38.263 66.422 1.00 0.00 O ATOM 760 CB TYR A 50 36.827 41.453 67.411 1.00 0.00 C ATOM 761 CG TYR A 50 35.831 41.218 66.303 1.00 0.00 C ATOM 762 CD1 TYR A 50 36.084 41.595 64.988 1.00 0.00 C ATOM 763 CD2 TYR A 50 34.608 40.610 66.575 1.00 0.00 C ATOM 764 CE1 TYR A 50 35.163 41.375 63.974 1.00 0.00 C ATOM 765 CE2 TYR A 50 33.665 40.403 65.585 1.00 0.00 C ATOM 766 CZ TYR A 50 33.924 40.795 64.259 1.00 0.00 C ATOM 767 OH TYR A 50 32.969 40.564 63.313 1.00 0.00 O ATOM 0 H TYR A 50 38.693 40.211 65.476 1.00 0.00 H new ATOM 0 HA TYR A 50 38.464 40.585 68.398 1.00 0.00 H new ATOM 0 HB2 TYR A 50 36.303 41.463 68.367 1.00 0.00 H new ATOM 0 HB3 TYR A 50 37.277 42.438 67.284 1.00 0.00 H new ATOM 0 HD1 TYR A 50 37.023 42.072 64.750 1.00 0.00 H new ATOM 0 HD2 TYR A 50 34.391 40.292 67.584 1.00 0.00 H new ATOM 0 HE1 TYR A 50 35.405 41.653 62.959 1.00 0.00 H new ATOM 0 HE2 TYR A 50 32.723 39.937 65.832 1.00 0.00 H new ATOM 0 HH TYR A 50 32.186 40.151 63.733 1.00 0.00 H new ATOM 777 N CYS A 51 36.964 38.374 68.700 1.00 0.00 N ATOM 778 CA CYS A 51 36.944 36.896 68.845 1.00 0.00 C ATOM 779 C CYS A 51 35.638 36.130 69.250 1.00 0.00 C ATOM 780 O CYS A 51 34.658 36.690 69.727 1.00 0.00 O ATOM 781 CB CYS A 51 37.988 36.551 69.924 1.00 0.00 C ATOM 782 SG CYS A 51 39.447 37.639 69.889 1.00 0.00 S ATOM 0 H CYS A 51 36.677 38.912 69.518 1.00 0.00 H new ATOM 0 HA CYS A 51 37.113 36.560 67.822 1.00 0.00 H new ATOM 0 HB2 CYS A 51 37.520 36.615 70.906 1.00 0.00 H new ATOM 0 HB3 CYS A 51 38.310 35.518 69.791 1.00 0.00 H new ATOM 787 N CYS A 52 35.751 34.760 69.074 1.00 0.00 N ATOM 788 CA CYS A 52 34.715 33.764 69.347 1.00 0.00 C ATOM 789 C CYS A 52 35.345 32.437 69.908 1.00 0.00 C ATOM 790 O CYS A 52 36.543 32.198 69.757 1.00 0.00 O ATOM 791 CB CYS A 52 34.008 33.464 68.029 1.00 0.00 C ATOM 792 SG CYS A 52 32.377 32.672 68.101 1.00 0.00 S ATOM 0 H CYS A 52 36.610 34.336 68.724 1.00 0.00 H new ATOM 0 HA CYS A 52 34.021 34.151 70.093 1.00 0.00 H new ATOM 0 HB2 CYS A 52 33.900 34.403 67.486 1.00 0.00 H new ATOM 0 HB3 CYS A 52 34.663 32.826 67.436 1.00 0.00 H new ATOM 797 N GLU A 53 34.493 31.540 70.527 1.00 0.00 N ATOM 798 CA GLU A 53 34.976 30.218 70.979 1.00 0.00 C ATOM 799 C GLU A 53 34.007 29.143 70.397 1.00 0.00 C ATOM 800 O GLU A 53 33.499 28.283 71.114 1.00 0.00 O ATOM 801 CB GLU A 53 35.227 30.118 72.499 1.00 0.00 C ATOM 802 CG GLU A 53 34.004 30.289 73.420 1.00 0.00 C ATOM 803 CD GLU A 53 34.390 29.981 74.863 1.00 0.00 C ATOM 804 OE1 GLU A 53 34.725 28.887 75.282 1.00 0.00 O ATOM 805 OE2 GLU A 53 34.300 31.059 75.639 1.00 0.00 O ATOM 0 H GLU A 53 33.506 31.719 70.710 1.00 0.00 H new ATOM 0 HA GLU A 53 35.978 30.039 70.589 1.00 0.00 H new ATOM 0 HB2 GLU A 53 35.674 29.146 72.706 1.00 0.00 H new ATOM 0 HB3 GLU A 53 35.965 30.873 72.771 1.00 0.00 H new ATOM 0 HG2 GLU A 53 33.623 31.307 73.346 1.00 0.00 H new ATOM 0 HG3 GLU A 53 33.202 29.624 73.100 1.00 0.00 H new ATOM 813 N SER A 54 33.802 29.184 69.029 1.00 0.00 N ATOM 814 CA SER A 54 32.889 28.258 68.352 1.00 0.00 C ATOM 815 C SER A 54 33.566 27.579 67.124 1.00 0.00 C ATOM 816 O SER A 54 34.575 28.041 66.593 1.00 0.00 O ATOM 817 CB SER A 54 31.576 28.938 67.875 1.00 0.00 C ATOM 818 OG SER A 54 30.602 27.952 67.542 1.00 0.00 O ATOM 0 H SER A 54 34.262 29.848 68.407 1.00 0.00 H new ATOM 0 HA SER A 54 32.638 27.508 69.102 1.00 0.00 H new ATOM 0 HB2 SER A 54 31.190 29.590 68.659 1.00 0.00 H new ATOM 0 HB3 SER A 54 31.778 29.567 67.008 1.00 0.00 H new ATOM 0 HG SER A 54 29.779 28.393 67.245 1.00 0.00 H new ATOM 824 N ASP A 55 32.941 26.423 66.693 1.00 0.00 N ATOM 825 CA ASP A 55 33.362 25.742 65.472 1.00 0.00 C ATOM 826 C ASP A 55 32.796 26.636 64.304 1.00 0.00 C ATOM 827 O ASP A 55 31.589 26.843 64.176 1.00 0.00 O ATOM 828 CB ASP A 55 32.829 24.297 65.418 1.00 0.00 C ATOM 829 CG ASP A 55 33.436 23.475 64.259 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.610 23.730 63.959 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.689 22.643 63.737 1.00 0.00 O ATOM 0 H ASP A 55 32.165 25.976 67.181 1.00 0.00 H new ATOM 0 HA ASP A 55 34.445 25.637 65.406 1.00 0.00 H new ATOM 0 HB2 ASP A 55 33.047 23.799 66.363 1.00 0.00 H new ATOM 0 HB3 ASP A 55 31.744 24.319 65.312 1.00 0.00 H new ATOM 836 N LYS A 56 33.719 27.239 63.453 1.00 0.00 N ATOM 837 CA LYS A 56 33.403 28.100 62.322 1.00 0.00 C ATOM 838 C LYS A 56 32.914 29.516 62.771 1.00 0.00 C ATOM 839 O LYS A 56 33.292 30.482 62.108 1.00 0.00 O ATOM 840 CB LYS A 56 32.523 27.481 61.216 1.00 0.00 C ATOM 841 CG LYS A 56 33.235 26.358 60.418 1.00 0.00 C ATOM 842 CD LYS A 56 33.595 25.133 61.279 1.00 0.00 C ATOM 843 CE LYS A 56 33.803 23.790 60.581 1.00 0.00 C ATOM 844 NZ LYS A 56 34.008 22.752 61.701 1.00 0.00 N ATOM 0 H LYS A 56 34.724 27.110 63.573 1.00 0.00 H new ATOM 0 HA LYS A 56 34.363 28.225 61.822 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.616 27.077 61.667 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.214 28.266 60.526 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.591 26.040 59.598 1.00 0.00 H new ATOM 0 HG3 LYS A 56 34.145 26.760 59.972 1.00 0.00 H new ATOM 0 HD2 LYS A 56 34.508 25.368 61.825 1.00 0.00 H new ATOM 0 HD3 LYS A 56 32.805 25.004 62.019 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.941 23.533 59.965 1.00 0.00 H new ATOM 0 HE3 LYS A 56 34.668 23.825 59.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 34.322 21.851 61.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.729 23.097 62.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 33.111 22.606 62.208 1.00 0.00 H new ATOM 858 N CYS A 57 32.094 29.668 63.875 1.00 0.00 N ATOM 859 CA CYS A 57 31.552 30.939 64.375 1.00 0.00 C ATOM 860 C CYS A 57 30.718 31.635 63.217 1.00 0.00 C ATOM 861 O CYS A 57 30.639 32.864 63.171 1.00 0.00 O ATOM 862 CB CYS A 57 32.594 31.861 65.031 1.00 0.00 C ATOM 863 SG CYS A 57 31.897 33.138 66.155 1.00 0.00 S ATOM 0 H CYS A 57 31.799 28.871 64.439 1.00 0.00 H new ATOM 0 HA CYS A 57 30.880 30.716 65.204 1.00 0.00 H new ATOM 0 HB2 CYS A 57 33.298 31.248 65.593 1.00 0.00 H new ATOM 0 HB3 CYS A 57 33.162 32.360 64.246 1.00 0.00 H new ATOM 868 N ASN A 58 30.062 30.803 62.313 1.00 0.00 N ATOM 869 CA ASN A 58 29.324 31.123 61.083 1.00 0.00 C ATOM 870 C ASN A 58 30.343 31.596 59.997 1.00 0.00 C ATOM 871 O ASN A 58 30.519 30.950 58.967 1.00 0.00 O ATOM 872 CB ASN A 58 28.129 32.093 61.149 1.00 0.00 C ATOM 873 CG ASN A 58 27.483 32.113 59.764 1.00 0.00 C ATOM 874 OD1 ASN A 58 26.820 31.185 59.337 1.00 0.00 O ATOM 875 ND2 ASN A 58 27.716 33.227 59.035 1.00 0.00 N ATOM 0 H ASN A 58 30.056 29.796 62.474 1.00 0.00 H new ATOM 0 HA ASN A 58 28.827 30.184 60.840 1.00 0.00 H new ATOM 0 HB2 ASN A 58 27.412 31.768 61.903 1.00 0.00 H new ATOM 0 HB3 ASN A 58 28.460 33.092 61.433 1.00 0.00 H new ATOM 0 HD21 ASN A 58 27.331 33.310 58.094 1.00 0.00 H new ATOM 0 HD22 ASN A 58 28.276 33.984 59.426 1.00 0.00 H new ATOM 882 N LEU A 59 30.981 32.783 60.287 1.00 0.00 N ATOM 883 CA LEU A 59 31.963 33.527 59.488 1.00 0.00 C ATOM 884 C LEU A 59 32.319 34.669 60.520 1.00 0.00 C ATOM 885 O LEU A 59 33.272 34.423 61.271 1.00 0.00 O ATOM 886 CB LEU A 59 31.422 34.031 58.143 1.00 0.00 C ATOM 887 CG LEU A 59 32.443 34.661 57.165 1.00 0.00 C ATOM 888 CD1 LEU A 59 33.388 33.630 56.525 1.00 0.00 C ATOM 889 CD2 LEU A 59 31.683 35.390 56.046 1.00 0.00 C ATOM 890 OXT LEU A 59 31.582 35.661 60.574 1.00 0.00 O ATOM 0 H LEU A 59 30.789 33.265 61.165 1.00 0.00 H new ATOM 0 HA LEU A 59 32.817 32.943 59.144 1.00 0.00 H new ATOM 0 HB2 LEU A 59 30.940 33.194 57.637 1.00 0.00 H new ATOM 0 HB3 LEU A 59 30.647 34.770 58.345 1.00 0.00 H new ATOM 0 HG LEU A 59 33.057 35.347 57.748 1.00 0.00 H new ATOM 0 HD11 LEU A 59 34.078 34.138 55.851 1.00 0.00 H new ATOM 0 HD12 LEU A 59 33.953 33.120 57.306 1.00 0.00 H new ATOM 0 HD13 LEU A 59 32.804 32.900 55.964 1.00 0.00 H new ATOM 0 HD21 LEU A 59 32.396 35.837 55.353 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.053 34.679 55.511 1.00 0.00 H new ATOM 0 HD23 LEU A 59 31.060 36.172 56.479 1.00 0.00 H new