USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 384 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 ASN : amide:sc= 0 K(o=1.2,f=0.53) USER MOD Set 1.2: A 6 HIS : no HD1:sc= -0.126 K(o=1.2,f=-3.2!) USER MOD Set 1.3: A 13 THR OG1 : rot -64:sc= 1.29 USER MOD Single : A 1 ARG N :NH3+ -167:sc= -0.0953! (180deg=-0.762!) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.117 USER MOD Single : A 9 THR OG1 : rot 17:sc= 0.554 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= -0.0194 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 38:sc= 0.502 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -125:sc= 1.31! (180deg=-0.203) USER MOD Single : A 25 ASN : amide:sc= -3.79! C(o=-3.8!,f=-4.1!) USER MOD Single : A 28 THR OG1 : rot -94:sc= 1.21 USER MOD Single : A 31 ASN : amide:sc=0.000321 X(o=0.00032,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -107:sc= -1.14! (180deg=-8.47!) USER MOD Single : A 58 ASN : amide:sc= -0.0526 K(o=-0.053,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 41.407 24.629 66.569 1.00 0.00 N ATOM 2 CA ARG A 1 40.026 24.144 66.103 1.00 0.00 C ATOM 3 C ARG A 1 39.772 24.734 64.670 1.00 0.00 C ATOM 4 O ARG A 1 40.645 25.416 64.141 1.00 0.00 O ATOM 5 CB ARG A 1 38.924 24.440 67.165 1.00 0.00 C ATOM 6 CG ARG A 1 38.193 23.170 67.677 1.00 0.00 C ATOM 7 CD ARG A 1 37.199 23.361 68.849 1.00 0.00 C ATOM 8 NE ARG A 1 37.623 23.819 70.199 1.00 0.00 N ATOM 9 CZ ARG A 1 38.831 23.998 70.710 1.00 0.00 C ATOM 10 NH1 ARG A 1 39.862 23.337 70.267 1.00 0.00 N ATOM 11 NH2 ARG A 1 38.981 24.834 71.706 1.00 0.00 N ATOM 0 H1 ARG A 1 41.701 24.087 67.407 1.00 0.00 H new ATOM 0 H2 ARG A 1 42.100 24.489 65.806 1.00 0.00 H new ATOM 0 H3 ARG A 1 41.357 25.639 66.810 1.00 0.00 H new ATOM 0 HA ARG A 1 39.989 23.058 66.014 1.00 0.00 H new ATOM 0 HB2 ARG A 1 39.378 24.954 68.013 1.00 0.00 H new ATOM 0 HB3 ARG A 1 38.191 25.122 66.734 1.00 0.00 H new ATOM 0 HG2 ARG A 1 37.651 22.730 66.840 1.00 0.00 H new ATOM 0 HG3 ARG A 1 38.947 22.445 67.985 1.00 0.00 H new ATOM 0 HD2 ARG A 1 36.445 24.068 68.504 1.00 0.00 H new ATOM 0 HD3 ARG A 1 36.697 22.404 68.990 1.00 0.00 H new ATOM 0 HE ARG A 1 36.856 24.030 70.837 1.00 0.00 H new ATOM 0 HH11 ARG A 1 39.749 22.663 69.509 1.00 0.00 H new ATOM 0 HH12 ARG A 1 40.783 23.493 70.678 1.00 0.00 H new ATOM 0 HH21 ARG A 1 38.174 25.336 72.077 1.00 0.00 H new ATOM 0 HH22 ARG A 1 39.905 24.984 72.111 1.00 0.00 H new ATOM 27 N ILE A 2 38.593 24.389 64.010 1.00 0.00 N ATOM 28 CA ILE A 2 38.417 24.723 62.571 1.00 0.00 C ATOM 29 C ILE A 2 37.834 26.175 62.432 1.00 0.00 C ATOM 30 O ILE A 2 36.727 26.483 62.872 1.00 0.00 O ATOM 31 CB ILE A 2 37.512 23.761 61.745 1.00 0.00 C ATOM 32 CG1 ILE A 2 37.871 22.268 61.965 1.00 0.00 C ATOM 33 CG2 ILE A 2 37.581 24.116 60.236 1.00 0.00 C ATOM 34 CD1 ILE A 2 36.966 21.256 61.241 1.00 0.00 C ATOM 0 H ILE A 2 37.805 23.907 64.442 1.00 0.00 H new ATOM 0 HA ILE A 2 39.419 24.624 62.152 1.00 0.00 H new ATOM 0 HB ILE A 2 36.492 23.899 62.103 1.00 0.00 H new ATOM 0 HG12 ILE A 2 38.899 22.108 61.640 1.00 0.00 H new ATOM 0 HG13 ILE A 2 37.839 22.058 63.034 1.00 0.00 H new ATOM 0 HG21 ILE A 2 36.943 23.435 59.672 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.239 25.140 60.087 1.00 0.00 H new ATOM 0 HG23 ILE A 2 38.609 24.023 59.887 1.00 0.00 H new ATOM 0 HD11 ILE A 2 37.303 20.243 61.462 1.00 0.00 H new ATOM 0 HD12 ILE A 2 35.938 21.378 61.582 1.00 0.00 H new ATOM 0 HD13 ILE A 2 37.015 21.429 60.166 1.00 0.00 H new ATOM 46 N CYS A 3 38.611 27.091 61.737 1.00 0.00 N ATOM 47 CA CYS A 3 38.140 28.448 61.462 1.00 0.00 C ATOM 48 C CYS A 3 38.576 28.779 59.989 1.00 0.00 C ATOM 49 O CYS A 3 39.695 28.515 59.557 1.00 0.00 O ATOM 50 CB CYS A 3 38.614 29.514 62.466 1.00 0.00 C ATOM 51 SG CYS A 3 38.887 28.800 64.127 1.00 0.00 S ATOM 0 H CYS A 3 39.544 26.888 61.377 1.00 0.00 H new ATOM 0 HA CYS A 3 37.057 28.477 61.578 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.538 29.967 62.108 1.00 0.00 H new ATOM 0 HB3 CYS A 3 37.873 30.310 62.529 1.00 0.00 H new ATOM 56 N TYR A 4 37.638 29.416 59.186 1.00 0.00 N ATOM 57 CA TYR A 4 37.830 29.416 57.727 1.00 0.00 C ATOM 58 C TYR A 4 38.910 30.422 57.216 1.00 0.00 C ATOM 59 O TYR A 4 39.229 31.400 57.889 1.00 0.00 O ATOM 60 CB TYR A 4 36.482 29.783 57.061 1.00 0.00 C ATOM 61 CG TYR A 4 35.259 29.187 57.758 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.243 27.920 58.348 1.00 0.00 C ATOM 63 CD2 TYR A 4 34.114 29.970 57.909 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.142 27.448 59.043 1.00 0.00 C ATOM 65 CE2 TYR A 4 32.993 29.511 58.580 1.00 0.00 C ATOM 66 CZ TYR A 4 32.979 28.225 59.130 1.00 0.00 C ATOM 67 OH TYR A 4 31.863 27.709 59.734 1.00 0.00 O ATOM 0 H TYR A 4 36.804 29.898 59.522 1.00 0.00 H new ATOM 0 HA TYR A 4 38.181 28.419 57.462 1.00 0.00 H new ATOM 0 HB2 TYR A 4 36.382 30.868 57.041 1.00 0.00 H new ATOM 0 HB3 TYR A 4 36.497 29.445 56.025 1.00 0.00 H new ATOM 0 HD1 TYR A 4 36.116 27.290 58.259 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.102 30.965 57.489 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.180 26.479 59.519 1.00 0.00 H new ATOM 0 HE2 TYR A 4 32.127 30.148 58.679 1.00 0.00 H new ATOM 0 HH TYR A 4 31.143 28.374 59.713 1.00 0.00 H new ATOM 77 N ASN A 5 39.448 30.177 55.955 1.00 0.00 N ATOM 78 CA ASN A 5 40.466 31.101 55.429 1.00 0.00 C ATOM 79 C ASN A 5 40.330 31.199 53.885 1.00 0.00 C ATOM 80 O ASN A 5 41.325 31.365 53.182 1.00 0.00 O ATOM 81 CB ASN A 5 41.901 30.737 55.878 1.00 0.00 C ATOM 82 CG ASN A 5 42.427 29.413 55.332 1.00 0.00 C ATOM 83 OD1 ASN A 5 41.756 28.563 54.776 1.00 0.00 O ATOM 84 ND2 ASN A 5 43.755 29.247 55.524 1.00 0.00 N ATOM 0 H ASN A 5 39.197 29.398 55.346 1.00 0.00 H new ATOM 0 HA ASN A 5 40.283 32.087 55.856 1.00 0.00 H new ATOM 0 HB2 ASN A 5 42.576 31.535 55.569 1.00 0.00 H new ATOM 0 HB3 ASN A 5 41.927 30.701 56.967 1.00 0.00 H new ATOM 0 HD21 ASN A 5 44.215 28.396 55.200 1.00 0.00 H new ATOM 0 HD22 ASN A 5 44.297 29.973 55.992 1.00 0.00 H new ATOM 91 N HIS A 6 39.040 31.176 53.378 1.00 0.00 N ATOM 92 CA HIS A 6 38.696 31.242 51.964 1.00 0.00 C ATOM 93 C HIS A 6 38.802 32.740 51.456 1.00 0.00 C ATOM 94 O HIS A 6 39.636 33.510 51.931 1.00 0.00 O ATOM 95 CB HIS A 6 39.331 30.097 51.077 1.00 0.00 C ATOM 96 CG HIS A 6 40.674 30.353 50.474 1.00 0.00 C ATOM 97 ND1 HIS A 6 41.596 29.322 50.212 1.00 0.00 N ATOM 98 CD2 HIS A 6 41.316 31.471 50.027 1.00 0.00 C ATOM 99 CE1 HIS A 6 42.728 29.778 49.687 1.00 0.00 C ATOM 100 NE2 HIS A 6 42.562 31.101 49.550 1.00 0.00 N ATOM 0 H HIS A 6 38.220 31.109 53.981 1.00 0.00 H new ATOM 0 HA HIS A 6 37.646 30.980 51.831 1.00 0.00 H new ATOM 0 HB2 HIS A 6 39.404 29.199 51.690 1.00 0.00 H new ATOM 0 HB3 HIS A 6 38.636 29.875 50.267 1.00 0.00 H new ATOM 0 HD2 HIS A 6 40.919 32.475 50.043 1.00 0.00 H new ATOM 0 HE1 HIS A 6 43.602 29.201 49.424 1.00 0.00 H new ATOM 0 HE2 HIS A 6 43.251 31.740 49.153 1.00 0.00 H new ATOM 109 N LEU A 7 37.882 33.194 50.513 1.00 0.00 N ATOM 110 CA LEU A 7 37.828 34.603 50.109 1.00 0.00 C ATOM 111 C LEU A 7 39.086 35.081 49.292 1.00 0.00 C ATOM 112 O LEU A 7 39.943 34.289 48.908 1.00 0.00 O ATOM 113 CB LEU A 7 37.354 35.542 51.250 1.00 0.00 C ATOM 114 CG LEU A 7 35.816 35.505 51.493 1.00 0.00 C ATOM 115 CD1 LEU A 7 35.382 34.405 52.479 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.252 36.848 52.006 1.00 0.00 C ATOM 0 H LEU A 7 37.199 32.595 50.049 1.00 0.00 H new ATOM 0 HA LEU A 7 37.031 34.681 49.370 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.865 35.266 52.172 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.651 36.564 51.015 1.00 0.00 H new ATOM 0 HG LEU A 7 35.405 35.289 50.507 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.300 34.434 52.603 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.676 33.430 52.089 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.863 34.570 53.443 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.176 36.757 52.156 1.00 0.00 H new ATOM 0 HD22 LEU A 7 35.729 37.106 52.951 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.452 37.630 51.273 1.00 0.00 H new ATOM 128 N GLY A 8 39.082 36.410 48.885 1.00 0.00 N ATOM 129 CA GLY A 8 40.085 36.910 47.932 1.00 0.00 C ATOM 130 C GLY A 8 39.572 36.666 46.500 1.00 0.00 C ATOM 131 O GLY A 8 39.371 37.591 45.719 1.00 0.00 O ATOM 0 H GLY A 8 38.410 37.108 49.204 1.00 0.00 H new ATOM 0 HA2 GLY A 8 40.262 37.973 48.094 1.00 0.00 H new ATOM 0 HA3 GLY A 8 41.037 36.401 48.084 1.00 0.00 H new ATOM 135 N THR A 9 39.419 35.338 46.161 1.00 0.00 N ATOM 136 CA THR A 9 38.954 34.892 44.852 1.00 0.00 C ATOM 137 C THR A 9 38.471 33.432 45.006 1.00 0.00 C ATOM 138 O THR A 9 37.410 33.079 44.496 1.00 0.00 O ATOM 139 CB THR A 9 40.000 34.928 43.696 1.00 0.00 C ATOM 140 OG1 THR A 9 40.300 36.270 43.298 1.00 0.00 O ATOM 141 CG2 THR A 9 39.566 34.209 42.408 1.00 0.00 C ATOM 0 H THR A 9 39.621 34.573 46.805 1.00 0.00 H new ATOM 0 HA THR A 9 38.177 35.598 44.559 1.00 0.00 H new ATOM 0 HB THR A 9 40.858 34.413 44.128 1.00 0.00 H new ATOM 0 HG1 THR A 9 40.001 36.892 43.994 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.358 34.288 41.663 1.00 0.00 H new ATOM 0 HG22 THR A 9 39.375 33.158 42.625 1.00 0.00 H new ATOM 0 HG23 THR A 9 38.657 34.671 42.022 1.00 0.00 H new ATOM 149 N LYS A 10 39.291 32.568 45.712 1.00 0.00 N ATOM 150 CA LYS A 10 38.960 31.138 45.873 1.00 0.00 C ATOM 151 C LYS A 10 38.234 30.931 47.255 1.00 0.00 C ATOM 152 O LYS A 10 38.831 31.233 48.281 1.00 0.00 O ATOM 153 CB LYS A 10 40.199 30.212 45.837 1.00 0.00 C ATOM 154 CG LYS A 10 40.903 30.153 44.465 1.00 0.00 C ATOM 155 CD LYS A 10 41.937 29.014 44.368 1.00 0.00 C ATOM 156 CE LYS A 10 42.511 28.876 42.954 1.00 0.00 C ATOM 157 NZ LYS A 10 43.485 27.695 42.851 1.00 0.00 N ATOM 0 H LYS A 10 40.162 32.851 46.161 1.00 0.00 H new ATOM 0 HA LYS A 10 38.323 30.868 45.031 1.00 0.00 H new ATOM 0 HB2 LYS A 10 40.915 30.551 46.586 1.00 0.00 H new ATOM 0 HB3 LYS A 10 39.894 29.205 46.121 1.00 0.00 H new ATOM 0 HG2 LYS A 10 40.154 30.024 43.684 1.00 0.00 H new ATOM 0 HG3 LYS A 10 41.400 31.105 44.276 1.00 0.00 H new ATOM 0 HD2 LYS A 10 42.748 29.201 45.072 1.00 0.00 H new ATOM 0 HD3 LYS A 10 41.469 28.074 44.662 1.00 0.00 H new ATOM 0 HE2 LYS A 10 41.697 28.740 42.242 1.00 0.00 H new ATOM 0 HE3 LYS A 10 43.025 29.797 42.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 43.853 27.632 41.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 44.275 27.838 43.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 42.988 26.813 43.090 1.00 0.00 H new ATOM 171 N PRO A 11 36.970 30.310 47.304 1.00 0.00 N ATOM 172 CA PRO A 11 36.269 30.125 48.607 1.00 0.00 C ATOM 173 C PRO A 11 36.312 28.678 49.265 1.00 0.00 C ATOM 174 O PRO A 11 35.934 28.629 50.436 1.00 0.00 O ATOM 175 CB PRO A 11 34.834 30.650 48.382 1.00 0.00 C ATOM 176 CG PRO A 11 34.592 30.395 46.889 1.00 0.00 C ATOM 177 CD PRO A 11 35.973 30.682 46.290 1.00 0.00 C ATOM 0 HA PRO A 11 36.812 30.685 49.368 1.00 0.00 H new ATOM 0 HB2 PRO A 11 34.111 30.121 49.002 1.00 0.00 H new ATOM 0 HB3 PRO A 11 34.750 31.709 48.628 1.00 0.00 H new ATOM 0 HG2 PRO A 11 34.268 29.372 46.697 1.00 0.00 H new ATOM 0 HG3 PRO A 11 33.825 31.054 46.481 1.00 0.00 H new ATOM 0 HD2 PRO A 11 36.122 30.109 45.375 1.00 0.00 H new ATOM 0 HD3 PRO A 11 36.067 31.735 46.026 1.00 0.00 H new ATOM 185 N PRO A 12 36.889 27.549 48.670 1.00 0.00 N ATOM 186 CA PRO A 12 36.822 26.227 49.315 1.00 0.00 C ATOM 187 C PRO A 12 37.671 25.826 50.565 1.00 0.00 C ATOM 188 O PRO A 12 37.280 24.816 51.157 1.00 0.00 O ATOM 189 CB PRO A 12 37.336 25.285 48.208 1.00 0.00 C ATOM 190 CG PRO A 12 36.676 25.854 46.955 1.00 0.00 C ATOM 191 CD PRO A 12 36.788 27.361 47.219 1.00 0.00 C ATOM 0 HA PRO A 12 35.806 26.194 49.708 1.00 0.00 H new ATOM 0 HB2 PRO A 12 38.424 25.300 48.136 1.00 0.00 H new ATOM 0 HB3 PRO A 12 37.042 24.251 48.387 1.00 0.00 H new ATOM 0 HG2 PRO A 12 37.196 25.556 46.044 1.00 0.00 H new ATOM 0 HG3 PRO A 12 35.640 25.530 46.852 1.00 0.00 H new ATOM 0 HD2 PRO A 12 37.663 27.774 46.717 1.00 0.00 H new ATOM 0 HD3 PRO A 12 35.917 27.885 46.824 1.00 0.00 H new ATOM 199 N THR A 13 38.813 26.498 50.997 1.00 0.00 N ATOM 200 CA THR A 13 39.595 25.938 52.118 1.00 0.00 C ATOM 201 C THR A 13 39.306 26.559 53.519 1.00 0.00 C ATOM 202 O THR A 13 38.941 27.720 53.712 1.00 0.00 O ATOM 203 CB THR A 13 41.139 25.948 51.930 1.00 0.00 C ATOM 204 OG1 THR A 13 41.752 27.229 52.066 1.00 0.00 O ATOM 205 CG2 THR A 13 41.588 25.354 50.583 1.00 0.00 C ATOM 0 H THR A 13 39.171 27.367 50.600 1.00 0.00 H new ATOM 0 HA THR A 13 39.231 24.911 52.094 1.00 0.00 H new ATOM 0 HB THR A 13 41.477 25.317 52.752 1.00 0.00 H new ATOM 0 HG1 THR A 13 41.430 27.823 51.356 1.00 0.00 H new ATOM 0 HG21 THR A 13 42.675 25.390 50.514 1.00 0.00 H new ATOM 0 HG22 THR A 13 41.254 24.319 50.512 1.00 0.00 H new ATOM 0 HG23 THR A 13 41.153 25.932 49.767 1.00 0.00 H new ATOM 213 N THR A 14 39.599 25.680 54.536 1.00 0.00 N ATOM 214 CA THR A 14 39.417 25.990 55.940 1.00 0.00 C ATOM 215 C THR A 14 40.670 25.526 56.736 1.00 0.00 C ATOM 216 O THR A 14 41.351 24.559 56.394 1.00 0.00 O ATOM 217 CB THR A 14 38.122 25.374 56.474 1.00 0.00 C ATOM 218 OG1 THR A 14 38.063 23.948 56.424 1.00 0.00 O ATOM 219 CG2 THR A 14 36.893 26.012 55.793 1.00 0.00 C ATOM 0 H THR A 14 39.967 24.743 54.371 1.00 0.00 H new ATOM 0 HA THR A 14 39.317 27.068 56.067 1.00 0.00 H new ATOM 0 HB THR A 14 38.111 25.609 57.538 1.00 0.00 H new ATOM 0 HG1 THR A 14 37.205 23.643 56.785 1.00 0.00 H new ATOM 0 HG21 THR A 14 35.983 25.560 56.187 1.00 0.00 H new ATOM 0 HG22 THR A 14 36.882 27.083 55.993 1.00 0.00 H new ATOM 0 HG23 THR A 14 36.945 25.844 54.717 1.00 0.00 H new ATOM 227 N GLU A 15 40.968 26.292 57.845 1.00 0.00 N ATOM 228 CA GLU A 15 42.224 26.126 58.593 1.00 0.00 C ATOM 229 C GLU A 15 41.885 25.313 59.883 1.00 0.00 C ATOM 230 O GLU A 15 41.341 25.816 60.864 1.00 0.00 O ATOM 231 CB GLU A 15 42.868 27.495 58.858 1.00 0.00 C ATOM 232 CG GLU A 15 44.133 27.511 59.730 1.00 0.00 C ATOM 233 CD GLU A 15 45.181 26.540 59.208 1.00 0.00 C ATOM 234 OE1 GLU A 15 45.616 26.507 58.069 1.00 0.00 O ATOM 235 OE2 GLU A 15 45.591 25.707 60.162 1.00 0.00 O ATOM 0 H GLU A 15 40.351 27.014 58.218 1.00 0.00 H new ATOM 0 HA GLU A 15 42.973 25.570 58.030 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.113 27.946 57.897 1.00 0.00 H new ATOM 0 HB3 GLU A 15 42.122 28.135 59.330 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.548 28.519 59.753 1.00 0.00 H new ATOM 0 HG3 GLU A 15 43.873 27.250 60.756 1.00 0.00 H new ATOM 243 N THR A 16 42.249 23.974 59.857 1.00 0.00 N ATOM 244 CA THR A 16 42.021 23.044 60.984 1.00 0.00 C ATOM 245 C THR A 16 43.296 23.244 61.868 1.00 0.00 C ATOM 246 O THR A 16 44.378 22.746 61.558 1.00 0.00 O ATOM 247 CB THR A 16 41.800 21.571 60.540 1.00 0.00 C ATOM 248 OG1 THR A 16 40.557 21.518 59.833 1.00 0.00 O ATOM 249 CG2 THR A 16 41.782 20.554 61.696 1.00 0.00 C ATOM 0 H THR A 16 42.701 23.537 59.054 1.00 0.00 H new ATOM 0 HA THR A 16 41.098 23.257 61.523 1.00 0.00 H new ATOM 0 HB THR A 16 42.647 21.284 59.917 1.00 0.00 H new ATOM 0 HG1 THR A 16 40.388 20.599 59.537 1.00 0.00 H new ATOM 0 HG21 THR A 16 41.623 19.552 61.297 1.00 0.00 H new ATOM 0 HG22 THR A 16 42.735 20.587 62.224 1.00 0.00 H new ATOM 0 HG23 THR A 16 40.976 20.802 62.386 1.00 0.00 H new ATOM 257 N CYS A 17 43.138 23.970 63.050 1.00 0.00 N ATOM 258 CA CYS A 17 44.336 24.490 63.741 1.00 0.00 C ATOM 259 C CYS A 17 44.611 23.889 65.156 1.00 0.00 C ATOM 260 O CYS A 17 43.709 23.517 65.904 1.00 0.00 O ATOM 261 CB CYS A 17 44.153 25.982 63.978 1.00 0.00 C ATOM 262 SG CYS A 17 45.703 26.902 64.102 1.00 0.00 S ATOM 0 H CYS A 17 42.245 24.182 63.496 1.00 0.00 H new ATOM 0 HA CYS A 17 45.166 24.222 63.088 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.559 26.399 63.164 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.582 26.126 64.895 1.00 0.00 H new ATOM 267 N GLN A 18 45.943 23.953 65.517 1.00 0.00 N ATOM 268 CA GLN A 18 46.517 23.531 66.798 1.00 0.00 C ATOM 269 C GLN A 18 46.661 24.736 67.777 1.00 0.00 C ATOM 270 O GLN A 18 46.623 24.540 68.991 1.00 0.00 O ATOM 271 CB GLN A 18 47.903 22.895 66.570 1.00 0.00 C ATOM 272 CG GLN A 18 47.886 21.611 65.702 1.00 0.00 C ATOM 273 CD GLN A 18 49.259 21.386 65.065 1.00 0.00 C ATOM 274 OE1 GLN A 18 49.666 22.056 64.133 1.00 0.00 O ATOM 275 NE2 GLN A 18 49.984 20.378 65.599 1.00 0.00 N ATOM 0 H GLN A 18 46.651 24.318 64.880 1.00 0.00 H new ATOM 0 HA GLN A 18 45.841 22.800 67.242 1.00 0.00 H new ATOM 0 HB2 GLN A 18 48.553 23.631 66.096 1.00 0.00 H new ATOM 0 HB3 GLN A 18 48.344 22.658 67.538 1.00 0.00 H new ATOM 0 HG2 GLN A 18 47.617 20.752 66.316 1.00 0.00 H new ATOM 0 HG3 GLN A 18 47.126 21.698 64.925 1.00 0.00 H new ATOM 0 HE21 GLN A 18 49.610 19.839 66.380 1.00 0.00 H new ATOM 0 HE22 GLN A 18 50.905 20.157 65.221 1.00 0.00 H new ATOM 284 N GLU A 19 46.874 25.998 67.242 1.00 0.00 N ATOM 285 CA GLU A 19 46.923 27.205 68.070 1.00 0.00 C ATOM 286 C GLU A 19 45.407 27.464 68.445 1.00 0.00 C ATOM 287 O GLU A 19 44.599 27.840 67.601 1.00 0.00 O ATOM 288 CB GLU A 19 47.548 28.414 67.332 1.00 0.00 C ATOM 289 CG GLU A 19 49.061 28.360 66.977 1.00 0.00 C ATOM 290 CD GLU A 19 49.403 27.398 65.850 1.00 0.00 C ATOM 291 OE1 GLU A 19 49.845 26.266 65.982 1.00 0.00 O ATOM 292 OE2 GLU A 19 49.214 27.951 64.655 1.00 0.00 O ATOM 0 H GLU A 19 47.010 26.172 66.246 1.00 0.00 H new ATOM 0 HA GLU A 19 47.561 27.074 68.944 1.00 0.00 H new ATOM 0 HB2 GLU A 19 46.994 28.560 66.405 1.00 0.00 H new ATOM 0 HB3 GLU A 19 47.382 29.300 67.945 1.00 0.00 H new ATOM 0 HG2 GLU A 19 49.393 29.360 66.699 1.00 0.00 H new ATOM 0 HG3 GLU A 19 49.621 28.073 67.867 1.00 0.00 H new ATOM 300 N ASP A 20 45.040 27.286 69.773 1.00 0.00 N ATOM 301 CA ASP A 20 43.692 27.359 70.366 1.00 0.00 C ATOM 302 C ASP A 20 42.872 28.684 70.102 1.00 0.00 C ATOM 303 O ASP A 20 41.719 28.763 70.537 1.00 0.00 O ATOM 304 CB ASP A 20 42.842 26.078 70.354 1.00 0.00 C ATOM 305 CG ASP A 20 42.252 25.549 69.033 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.922 26.367 68.171 1.00 0.00 O ATOM 307 OD2 ASP A 20 42.091 24.321 68.996 1.00 0.00 O ATOM 0 H ASP A 20 45.744 27.075 70.481 1.00 0.00 H new ATOM 0 HA ASP A 20 43.978 27.440 71.415 1.00 0.00 H new ATOM 0 HB2 ASP A 20 43.454 25.281 70.776 1.00 0.00 H new ATOM 0 HB3 ASP A 20 42.009 26.237 71.039 1.00 0.00 H new ATOM 312 N SER A 21 43.476 29.772 69.504 1.00 0.00 N ATOM 313 CA SER A 21 42.788 31.036 69.237 1.00 0.00 C ATOM 314 C SER A 21 42.792 31.267 67.704 1.00 0.00 C ATOM 315 O SER A 21 43.801 31.142 67.008 1.00 0.00 O ATOM 316 CB SER A 21 43.380 32.286 69.925 1.00 0.00 C ATOM 317 OG SER A 21 42.749 33.521 69.595 1.00 0.00 O ATOM 0 H SER A 21 44.451 29.769 69.205 1.00 0.00 H new ATOM 0 HA SER A 21 41.789 30.926 69.658 1.00 0.00 H new ATOM 0 HB2 SER A 21 43.325 32.146 71.005 1.00 0.00 H new ATOM 0 HB3 SER A 21 44.436 32.356 69.666 1.00 0.00 H new ATOM 0 HG SER A 21 41.781 33.384 69.520 1.00 0.00 H new ATOM 323 N CYS A 22 41.578 31.650 67.169 1.00 0.00 N ATOM 324 CA CYS A 22 41.455 31.932 65.752 1.00 0.00 C ATOM 325 C CYS A 22 40.674 33.259 65.543 1.00 0.00 C ATOM 326 O CYS A 22 39.780 33.652 66.292 1.00 0.00 O ATOM 327 CB CYS A 22 40.900 30.726 64.968 1.00 0.00 C ATOM 328 SG CYS A 22 39.108 30.562 65.159 1.00 0.00 S ATOM 0 H CYS A 22 40.717 31.758 67.706 1.00 0.00 H new ATOM 0 HA CYS A 22 42.446 32.088 65.326 1.00 0.00 H new ATOM 0 HB2 CYS A 22 41.144 30.837 63.911 1.00 0.00 H new ATOM 0 HB3 CYS A 22 41.387 29.814 65.313 1.00 0.00 H new ATOM 333 N TYR A 23 41.101 33.971 64.434 1.00 0.00 N ATOM 334 CA TYR A 23 40.888 35.417 64.366 1.00 0.00 C ATOM 335 C TYR A 23 40.254 35.919 63.045 1.00 0.00 C ATOM 336 O TYR A 23 40.548 35.441 61.950 1.00 0.00 O ATOM 337 CB TYR A 23 42.288 36.090 64.569 1.00 0.00 C ATOM 338 CG TYR A 23 43.332 35.720 63.526 1.00 0.00 C ATOM 339 CD1 TYR A 23 43.468 36.475 62.364 1.00 0.00 C ATOM 340 CD2 TYR A 23 44.216 34.656 63.702 1.00 0.00 C ATOM 341 CE1 TYR A 23 44.454 36.215 61.425 1.00 0.00 C ATOM 342 CE2 TYR A 23 45.222 34.386 62.781 1.00 0.00 C ATOM 343 CZ TYR A 23 45.361 35.162 61.629 1.00 0.00 C ATOM 344 OH TYR A 23 46.330 34.934 60.697 1.00 0.00 O ATOM 0 H TYR A 23 41.570 33.563 63.626 1.00 0.00 H new ATOM 0 HA TYR A 23 40.168 35.685 65.139 1.00 0.00 H new ATOM 0 HB2 TYR A 23 42.159 37.172 64.565 1.00 0.00 H new ATOM 0 HB3 TYR A 23 42.667 35.818 65.554 1.00 0.00 H new ATOM 0 HD1 TYR A 23 42.782 37.291 62.188 1.00 0.00 H new ATOM 0 HD2 TYR A 23 44.117 34.027 64.574 1.00 0.00 H new ATOM 0 HE1 TYR A 23 44.525 36.823 60.535 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.903 33.567 62.959 1.00 0.00 H new ATOM 0 HH TYR A 23 46.881 34.174 60.977 1.00 0.00 H new ATOM 354 N LYS A 24 39.368 36.977 63.197 1.00 0.00 N ATOM 355 CA LYS A 24 38.682 37.631 62.079 1.00 0.00 C ATOM 356 C LYS A 24 39.599 38.839 61.661 1.00 0.00 C ATOM 357 O LYS A 24 39.832 39.780 62.420 1.00 0.00 O ATOM 358 CB LYS A 24 37.295 38.155 62.492 1.00 0.00 C ATOM 359 CG LYS A 24 36.211 37.121 62.867 1.00 0.00 C ATOM 360 CD LYS A 24 36.301 36.551 64.308 1.00 0.00 C ATOM 361 CE LYS A 24 36.560 35.049 64.323 1.00 0.00 C ATOM 362 NZ LYS A 24 35.326 34.389 63.700 1.00 0.00 N ATOM 0 H LYS A 24 39.132 37.375 64.106 1.00 0.00 H new ATOM 0 HA LYS A 24 38.522 36.926 61.264 1.00 0.00 H new ATOM 0 HB2 LYS A 24 37.430 38.821 63.344 1.00 0.00 H new ATOM 0 HB3 LYS A 24 36.909 38.761 61.672 1.00 0.00 H new ATOM 0 HG2 LYS A 24 35.232 37.584 62.738 1.00 0.00 H new ATOM 0 HG3 LYS A 24 36.266 36.291 62.163 1.00 0.00 H new ATOM 0 HD2 LYS A 24 37.099 37.060 64.848 1.00 0.00 H new ATOM 0 HD3 LYS A 24 35.372 36.762 64.838 1.00 0.00 H new ATOM 0 HE2 LYS A 24 37.458 34.805 63.756 1.00 0.00 H new ATOM 0 HE3 LYS A 24 36.718 34.693 65.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 34.941 33.682 64.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 34.605 35.113 63.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 35.594 33.923 62.810 1.00 0.00 H new ATOM 376 N ASN A 25 40.127 38.796 60.383 1.00 0.00 N ATOM 377 CA ASN A 25 41.036 39.808 59.811 1.00 0.00 C ATOM 378 C ASN A 25 40.262 40.373 58.546 1.00 0.00 C ATOM 379 O ASN A 25 39.902 39.642 57.622 1.00 0.00 O ATOM 380 CB ASN A 25 42.379 39.189 59.482 1.00 0.00 C ATOM 381 CG ASN A 25 43.447 40.248 59.382 1.00 0.00 C ATOM 382 OD1 ASN A 25 44.060 40.669 60.345 1.00 0.00 O ATOM 383 ND2 ASN A 25 43.635 40.728 58.140 1.00 0.00 N ATOM 0 H ASN A 25 39.917 38.039 59.732 1.00 0.00 H new ATOM 0 HA ASN A 25 41.275 40.619 60.499 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.649 38.465 60.251 1.00 0.00 H new ATOM 0 HB3 ASN A 25 42.312 38.644 58.541 1.00 0.00 H new ATOM 0 HD21 ASN A 25 44.313 41.473 57.978 1.00 0.00 H new ATOM 0 HD22 ASN A 25 43.100 40.347 57.360 1.00 0.00 H new ATOM 390 N ILE A 26 40.048 41.758 58.532 1.00 0.00 N ATOM 391 CA ILE A 26 38.821 42.312 57.878 1.00 0.00 C ATOM 392 C ILE A 26 38.986 43.529 56.899 1.00 0.00 C ATOM 393 O ILE A 26 38.023 44.085 56.372 1.00 0.00 O ATOM 394 CB ILE A 26 37.895 42.714 59.055 1.00 0.00 C ATOM 395 CG1 ILE A 26 38.396 43.832 60.019 1.00 0.00 C ATOM 396 CG2 ILE A 26 37.576 41.474 59.923 1.00 0.00 C ATOM 397 CD1 ILE A 26 38.718 45.207 59.419 1.00 0.00 C ATOM 0 H ILE A 26 40.675 42.450 58.942 1.00 0.00 H new ATOM 0 HA ILE A 26 38.439 41.539 57.211 1.00 0.00 H new ATOM 0 HB ILE A 26 37.028 43.132 58.543 1.00 0.00 H new ATOM 0 HG12 ILE A 26 37.638 43.973 60.790 1.00 0.00 H new ATOM 0 HG13 ILE A 26 39.294 43.466 60.517 1.00 0.00 H new ATOM 0 HG21 ILE A 26 36.925 41.765 60.748 1.00 0.00 H new ATOM 0 HG22 ILE A 26 37.075 40.722 59.313 1.00 0.00 H new ATOM 0 HG23 ILE A 26 38.503 41.060 60.321 1.00 0.00 H new ATOM 0 HD11 ILE A 26 39.054 45.879 60.209 1.00 0.00 H new ATOM 0 HD12 ILE A 26 39.505 45.103 58.672 1.00 0.00 H new ATOM 0 HD13 ILE A 26 37.824 45.617 58.949 1.00 0.00 H new ATOM 409 N TRP A 27 40.276 43.905 56.667 1.00 0.00 N ATOM 410 CA TRP A 27 40.870 45.045 55.954 1.00 0.00 C ATOM 411 C TRP A 27 41.569 44.385 54.705 1.00 0.00 C ATOM 412 O TRP A 27 40.903 43.992 53.750 1.00 0.00 O ATOM 413 CB TRP A 27 41.824 45.892 56.901 1.00 0.00 C ATOM 414 CG TRP A 27 42.321 45.108 58.093 1.00 0.00 C ATOM 415 CD1 TRP A 27 42.618 43.723 58.042 1.00 0.00 C ATOM 416 CD2 TRP A 27 42.399 45.412 59.454 1.00 0.00 C ATOM 417 NE1 TRP A 27 42.715 43.153 59.271 1.00 0.00 N ATOM 418 CE2 TRP A 27 42.629 44.218 60.147 1.00 0.00 C ATOM 419 CE3 TRP A 27 42.181 46.577 60.232 1.00 0.00 C ATOM 420 CZ2 TRP A 27 42.675 44.081 61.495 1.00 0.00 C ATOM 421 CZ3 TRP A 27 42.225 46.481 61.617 1.00 0.00 C ATOM 422 CH2 TRP A 27 42.481 45.245 62.248 1.00 0.00 C ATOM 0 H TRP A 27 41.023 43.318 57.037 1.00 0.00 H new ATOM 0 HA TRP A 27 40.147 45.792 55.628 1.00 0.00 H new ATOM 0 HB2 TRP A 27 42.678 46.246 56.324 1.00 0.00 H new ATOM 0 HB3 TRP A 27 41.289 46.774 57.251 1.00 0.00 H new ATOM 0 HD1 TRP A 27 42.753 43.177 57.120 1.00 0.00 H new ATOM 0 HE1 TRP A 27 42.826 42.164 59.496 1.00 0.00 H new ATOM 0 HE3 TRP A 27 41.984 47.525 59.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 42.852 43.124 61.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 42.061 47.363 62.218 1.00 0.00 H new ATOM 0 HH2 TRP A 27 42.528 45.196 63.326 1.00 0.00 H new ATOM 433 N THR A 28 42.953 44.254 54.725 1.00 0.00 N ATOM 434 CA THR A 28 43.726 43.656 53.629 1.00 0.00 C ATOM 435 C THR A 28 43.785 44.632 52.397 1.00 0.00 C ATOM 436 O THR A 28 43.004 45.574 52.272 1.00 0.00 O ATOM 437 CB THR A 28 43.305 42.219 53.195 1.00 0.00 C ATOM 438 OG1 THR A 28 44.252 41.585 52.333 1.00 0.00 O ATOM 439 CG2 THR A 28 42.915 41.256 54.333 1.00 0.00 C ATOM 0 H THR A 28 43.529 44.566 55.507 1.00 0.00 H new ATOM 0 HA THR A 28 44.724 43.517 54.044 1.00 0.00 H new ATOM 0 HB THR A 28 42.389 42.417 52.638 1.00 0.00 H new ATOM 0 HG1 THR A 28 43.994 41.732 51.399 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.641 40.288 53.913 1.00 0.00 H new ATOM 0 HG22 THR A 28 43.760 41.132 55.010 1.00 0.00 H new ATOM 0 HG23 THR A 28 42.067 41.666 54.882 1.00 0.00 H new ATOM 447 N PHE A 29 44.784 44.388 51.467 1.00 0.00 N ATOM 448 CA PHE A 29 44.905 45.225 50.269 1.00 0.00 C ATOM 449 C PHE A 29 43.633 45.129 49.365 1.00 0.00 C ATOM 450 O PHE A 29 43.320 46.095 48.669 1.00 0.00 O ATOM 451 CB PHE A 29 46.192 44.887 49.439 1.00 0.00 C ATOM 452 CG PHE A 29 46.314 43.404 49.147 1.00 0.00 C ATOM 453 CD1 PHE A 29 45.693 42.824 48.039 1.00 0.00 C ATOM 454 CD2 PHE A 29 47.031 42.568 50.010 1.00 0.00 C ATOM 455 CE1 PHE A 29 45.753 41.449 47.811 1.00 0.00 C ATOM 456 CE2 PHE A 29 47.101 41.191 49.798 1.00 0.00 C ATOM 457 CZ PHE A 29 46.453 40.622 48.697 1.00 0.00 C ATOM 0 H PHE A 29 45.476 43.643 51.544 1.00 0.00 H new ATOM 0 HA PHE A 29 44.996 46.252 50.621 1.00 0.00 H new ATOM 0 HB2 PHE A 29 46.172 45.440 48.500 1.00 0.00 H new ATOM 0 HB3 PHE A 29 47.073 45.221 49.987 1.00 0.00 H new ATOM 0 HD1 PHE A 29 45.155 43.453 47.345 1.00 0.00 H new ATOM 0 HD2 PHE A 29 47.541 42.998 50.859 1.00 0.00 H new ATOM 0 HE1 PHE A 29 45.259 41.022 46.950 1.00 0.00 H new ATOM 0 HE2 PHE A 29 47.655 40.566 50.483 1.00 0.00 H new ATOM 0 HZ PHE A 29 46.492 39.555 48.532 1.00 0.00 H new ATOM 467 N ASP A 30 42.892 43.969 49.386 1.00 0.00 N ATOM 468 CA ASP A 30 41.729 43.637 48.574 1.00 0.00 C ATOM 469 C ASP A 30 40.346 43.977 49.254 1.00 0.00 C ATOM 470 O ASP A 30 39.320 43.600 48.686 1.00 0.00 O ATOM 471 CB ASP A 30 41.864 42.187 48.063 1.00 0.00 C ATOM 472 CG ASP A 30 42.313 41.034 49.009 1.00 0.00 C ATOM 473 OD1 ASP A 30 42.865 41.326 50.076 1.00 0.00 O ATOM 474 OD2 ASP A 30 42.123 39.904 48.540 1.00 0.00 O ATOM 0 H ASP A 30 43.131 43.209 50.023 1.00 0.00 H new ATOM 0 HA ASP A 30 41.716 44.294 47.704 1.00 0.00 H new ATOM 0 HB2 ASP A 30 40.895 41.903 47.654 1.00 0.00 H new ATOM 0 HB3 ASP A 30 42.568 42.208 47.231 1.00 0.00 H new ATOM 479 N ASN A 31 40.271 44.739 50.419 1.00 0.00 N ATOM 480 CA ASN A 31 39.026 45.169 51.081 1.00 0.00 C ATOM 481 C ASN A 31 38.133 43.888 51.211 1.00 0.00 C ATOM 482 O ASN A 31 37.042 43.809 50.647 1.00 0.00 O ATOM 483 CB ASN A 31 38.335 46.367 50.416 1.00 0.00 C ATOM 484 CG ASN A 31 37.463 47.086 51.436 1.00 0.00 C ATOM 485 OD1 ASN A 31 37.878 47.986 52.144 1.00 0.00 O ATOM 486 ND2 ASN A 31 36.194 46.636 51.519 1.00 0.00 N ATOM 0 H ASN A 31 41.106 45.061 50.908 1.00 0.00 H new ATOM 0 HA ASN A 31 39.243 45.575 52.069 1.00 0.00 H new ATOM 0 HB2 ASN A 31 39.081 47.052 50.013 1.00 0.00 H new ATOM 0 HB3 ASN A 31 37.727 46.029 49.577 1.00 0.00 H new ATOM 0 HD21 ASN A 31 35.548 47.052 52.191 1.00 0.00 H new ATOM 0 HD22 ASN A 31 35.880 45.880 50.910 1.00 0.00 H new ATOM 493 N ILE A 32 38.626 42.889 52.035 1.00 0.00 N ATOM 494 CA ILE A 32 38.022 41.552 52.066 1.00 0.00 C ATOM 495 C ILE A 32 38.107 40.910 53.492 1.00 0.00 C ATOM 496 O ILE A 32 38.774 41.442 54.378 1.00 0.00 O ATOM 497 CB ILE A 32 38.748 40.622 51.040 1.00 0.00 C ATOM 498 CG1 ILE A 32 37.988 39.425 50.436 1.00 0.00 C ATOM 499 CG2 ILE A 32 40.069 40.063 51.616 1.00 0.00 C ATOM 500 CD1 ILE A 32 36.774 39.727 49.550 1.00 0.00 C ATOM 0 H ILE A 32 39.422 43.008 52.662 1.00 0.00 H new ATOM 0 HA ILE A 32 36.970 41.658 51.802 1.00 0.00 H new ATOM 0 HB ILE A 32 38.881 41.324 50.217 1.00 0.00 H new ATOM 0 HG12 ILE A 32 38.696 38.840 49.848 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.655 38.790 51.257 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.546 39.421 50.875 1.00 0.00 H new ATOM 0 HG22 ILE A 32 40.736 40.889 51.864 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.858 39.484 52.515 1.00 0.00 H new ATOM 0 HD11 ILE A 32 36.340 38.792 49.196 1.00 0.00 H new ATOM 0 HD12 ILE A 32 36.030 40.277 50.127 1.00 0.00 H new ATOM 0 HD13 ILE A 32 37.087 40.328 48.696 1.00 0.00 H new ATOM 512 N ILE A 33 37.416 39.722 53.692 1.00 0.00 N ATOM 513 CA ILE A 33 37.540 38.993 54.972 1.00 0.00 C ATOM 514 C ILE A 33 38.321 37.695 54.635 1.00 0.00 C ATOM 515 O ILE A 33 37.795 36.701 54.146 1.00 0.00 O ATOM 516 CB ILE A 33 36.293 38.737 55.817 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.599 40.090 56.113 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.704 37.954 57.083 1.00 0.00 C ATOM 519 CD1 ILE A 33 34.453 40.081 57.131 1.00 0.00 C ATOM 0 H ILE A 33 36.802 39.286 53.004 1.00 0.00 H new ATOM 0 HA ILE A 33 38.057 39.659 55.663 1.00 0.00 H new ATOM 0 HB ILE A 33 35.563 38.123 55.290 1.00 0.00 H new ATOM 0 HG12 ILE A 33 36.358 40.789 56.465 1.00 0.00 H new ATOM 0 HG13 ILE A 33 35.213 40.485 55.173 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.823 37.764 57.696 1.00 0.00 H new ATOM 0 HG22 ILE A 33 37.156 37.005 56.793 1.00 0.00 H new ATOM 0 HG23 ILE A 33 37.424 38.539 57.655 1.00 0.00 H new ATOM 0 HD11 ILE A 33 34.058 41.091 57.243 1.00 0.00 H new ATOM 0 HD12 ILE A 33 33.661 39.418 56.782 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.824 39.728 58.093 1.00 0.00 H new ATOM 531 N ARG A 34 39.673 37.739 54.913 1.00 0.00 N ATOM 532 CA ARG A 34 40.576 36.643 54.557 1.00 0.00 C ATOM 533 C ARG A 34 41.559 36.684 55.752 1.00 0.00 C ATOM 534 O ARG A 34 42.375 37.570 55.997 1.00 0.00 O ATOM 535 CB ARG A 34 41.231 36.788 53.187 1.00 0.00 C ATOM 536 CG ARG A 34 42.182 35.625 52.852 1.00 0.00 C ATOM 537 CD ARG A 34 42.616 35.542 51.376 1.00 0.00 C ATOM 538 NE ARG A 34 43.502 36.557 50.772 1.00 0.00 N ATOM 539 CZ ARG A 34 43.800 37.765 51.220 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.108 37.986 52.471 1.00 0.00 N ATOM 541 NH2 ARG A 34 43.845 38.747 50.369 1.00 0.00 N ATOM 0 H ARG A 34 40.130 38.524 55.377 1.00 0.00 H new ATOM 0 HA ARG A 34 40.081 35.681 54.428 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.455 36.848 52.424 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.786 37.726 53.152 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.074 35.715 53.473 1.00 0.00 H new ATOM 0 HG3 ARG A 34 41.696 34.688 53.125 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.105 34.577 51.244 1.00 0.00 H new ATOM 0 HD3 ARG A 34 41.704 35.522 50.779 1.00 0.00 H new ATOM 0 HE ARG A 34 43.943 36.291 49.892 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.124 37.213 53.137 1.00 0.00 H new ATOM 0 HH12 ARG A 34 44.333 38.931 52.782 1.00 0.00 H new ATOM 0 HH21 ARG A 34 43.653 38.576 49.382 1.00 0.00 H new ATOM 0 HH22 ARG A 34 44.072 39.689 50.688 1.00 0.00 H new ATOM 555 N ARG A 35 41.345 35.594 56.561 1.00 0.00 N ATOM 556 CA ARG A 35 41.646 35.555 57.976 1.00 0.00 C ATOM 557 C ARG A 35 42.218 34.177 58.404 1.00 0.00 C ATOM 558 O ARG A 35 42.461 33.328 57.547 1.00 0.00 O ATOM 559 CB ARG A 35 40.283 35.921 58.612 1.00 0.00 C ATOM 560 CG ARG A 35 39.123 34.962 58.204 1.00 0.00 C ATOM 561 CD ARG A 35 37.761 34.991 58.938 1.00 0.00 C ATOM 562 NE ARG A 35 37.629 34.409 60.288 1.00 0.00 N ATOM 563 CZ ARG A 35 38.108 33.212 60.572 1.00 0.00 C ATOM 564 NH1 ARG A 35 39.372 33.047 60.829 1.00 0.00 N ATOM 565 NH2 ARG A 35 37.301 32.189 60.579 1.00 0.00 N ATOM 0 H ARG A 35 40.951 34.720 56.211 1.00 0.00 H new ATOM 0 HA ARG A 35 42.434 36.238 58.294 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.385 35.913 59.697 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.019 36.939 58.324 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.919 35.141 57.148 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.507 33.945 58.287 1.00 0.00 H new ATOM 0 HD2 ARG A 35 37.453 36.034 59.005 1.00 0.00 H new ATOM 0 HD3 ARG A 35 37.038 34.486 58.297 1.00 0.00 H new ATOM 0 HE ARG A 35 37.157 34.943 61.018 1.00 0.00 H new ATOM 0 HH11 ARG A 35 40.004 33.847 60.812 1.00 0.00 H new ATOM 0 HH12 ARG A 35 39.731 32.118 61.047 1.00 0.00 H new ATOM 0 HH21 ARG A 35 36.312 32.318 60.367 1.00 0.00 H new ATOM 0 HH22 ARG A 35 37.659 31.259 60.797 1.00 0.00 H new ATOM 579 N GLY A 36 42.469 33.970 59.756 1.00 0.00 N ATOM 580 CA GLY A 36 43.246 32.754 60.040 1.00 0.00 C ATOM 581 C GLY A 36 43.200 32.212 61.478 1.00 0.00 C ATOM 582 O GLY A 36 42.248 32.440 62.218 1.00 0.00 O ATOM 0 H GLY A 36 42.182 34.551 60.543 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.899 31.967 59.371 1.00 0.00 H new ATOM 0 HA3 GLY A 36 44.288 32.951 59.786 1.00 0.00 H new ATOM 586 N CYS A 37 44.254 31.383 61.805 1.00 0.00 N ATOM 587 CA CYS A 37 44.393 30.763 63.123 1.00 0.00 C ATOM 588 C CYS A 37 45.852 31.014 63.661 1.00 0.00 C ATOM 589 O CYS A 37 46.860 30.643 63.064 1.00 0.00 O ATOM 590 CB CYS A 37 44.123 29.267 63.139 1.00 0.00 C ATOM 591 SG CYS A 37 44.693 28.570 64.721 1.00 0.00 S ATOM 0 H CYS A 37 45.004 31.146 61.156 1.00 0.00 H new ATOM 0 HA CYS A 37 43.637 31.226 63.757 1.00 0.00 H new ATOM 0 HB2 CYS A 37 43.058 29.077 63.007 1.00 0.00 H new ATOM 0 HB3 CYS A 37 44.638 28.784 62.309 1.00 0.00 H new ATOM 596 N GLY A 38 45.934 31.753 64.833 1.00 0.00 N ATOM 597 CA GLY A 38 47.206 31.979 65.513 1.00 0.00 C ATOM 598 C GLY A 38 46.751 32.606 66.845 1.00 0.00 C ATOM 599 O GLY A 38 46.622 31.964 67.880 1.00 0.00 O ATOM 0 H GLY A 38 45.130 32.181 65.292 1.00 0.00 H new ATOM 0 HA2 GLY A 38 47.757 31.051 65.666 1.00 0.00 H new ATOM 0 HA3 GLY A 38 47.857 32.647 64.949 1.00 0.00 H new ATOM 603 N CYS A 39 46.450 33.957 66.734 1.00 0.00 N ATOM 604 CA CYS A 39 45.763 34.731 67.757 1.00 0.00 C ATOM 605 C CYS A 39 46.520 34.921 69.107 1.00 0.00 C ATOM 606 O CYS A 39 47.739 35.047 69.175 1.00 0.00 O ATOM 607 CB CYS A 39 45.512 36.131 67.172 1.00 0.00 C ATOM 608 SG CYS A 39 44.747 37.333 68.319 1.00 0.00 S ATOM 0 H CYS A 39 46.695 34.508 65.912 1.00 0.00 H new ATOM 0 HA CYS A 39 44.865 34.165 68.003 1.00 0.00 H new ATOM 0 HB2 CYS A 39 46.462 36.538 66.827 1.00 0.00 H new ATOM 0 HB3 CYS A 39 44.871 36.031 66.296 1.00 0.00 H new ATOM 613 N PHE A 40 45.677 35.039 70.204 1.00 0.00 N ATOM 614 CA PHE A 40 46.117 35.247 71.579 1.00 0.00 C ATOM 615 C PHE A 40 46.626 36.733 71.666 1.00 0.00 C ATOM 616 O PHE A 40 47.815 36.953 71.876 1.00 0.00 O ATOM 617 CB PHE A 40 47.109 34.202 72.144 1.00 0.00 C ATOM 618 CG PHE A 40 46.584 32.782 72.015 1.00 0.00 C ATOM 619 CD1 PHE A 40 45.563 32.292 72.839 1.00 0.00 C ATOM 620 CD2 PHE A 40 47.090 31.926 71.030 1.00 0.00 C ATOM 621 CE1 PHE A 40 45.081 30.992 72.700 1.00 0.00 C ATOM 622 CE2 PHE A 40 46.618 30.625 70.876 1.00 0.00 C ATOM 623 CZ PHE A 40 45.639 30.144 71.745 1.00 0.00 C ATOM 0 H PHE A 40 44.662 34.986 70.118 1.00 0.00 H new ATOM 0 HA PHE A 40 45.270 35.085 72.246 1.00 0.00 H new ATOM 0 HB2 PHE A 40 48.060 34.285 71.618 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.305 34.421 73.194 1.00 0.00 H new ATOM 0 HD1 PHE A 40 45.141 32.935 73.597 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.868 32.284 70.372 1.00 0.00 H new ATOM 0 HE1 PHE A 40 44.277 30.642 73.331 1.00 0.00 H new ATOM 0 HE2 PHE A 40 47.007 29.994 70.090 1.00 0.00 H new ATOM 0 HZ PHE A 40 45.314 29.116 71.678 1.00 0.00 H new ATOM 735 N GLY A 48 44.880 44.995 66.714 1.00 0.00 N ATOM 736 CA GLY A 48 44.966 43.564 66.388 1.00 0.00 C ATOM 737 C GLY A 48 43.627 43.072 65.758 1.00 0.00 C ATOM 738 O GLY A 48 42.572 43.658 66.004 1.00 0.00 O ATOM 0 HA2 GLY A 48 45.788 43.391 65.693 1.00 0.00 H new ATOM 0 HA3 GLY A 48 45.184 42.991 67.289 1.00 0.00 H new ATOM 742 N PRO A 49 43.672 41.946 64.939 1.00 0.00 N ATOM 743 CA PRO A 49 42.394 41.297 64.605 1.00 0.00 C ATOM 744 C PRO A 49 41.662 40.941 65.945 1.00 0.00 C ATOM 745 O PRO A 49 42.246 40.839 67.024 1.00 0.00 O ATOM 746 CB PRO A 49 42.774 40.004 63.868 1.00 0.00 C ATOM 747 CG PRO A 49 44.134 39.681 64.484 1.00 0.00 C ATOM 748 CD PRO A 49 44.781 41.068 64.569 1.00 0.00 C ATOM 0 HA PRO A 49 41.742 41.928 64.000 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.049 39.208 64.038 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.838 40.152 62.790 1.00 0.00 H new ATOM 0 HG2 PRO A 49 44.038 39.215 65.464 1.00 0.00 H new ATOM 0 HG3 PRO A 49 44.712 38.998 63.862 1.00 0.00 H new ATOM 0 HD2 PRO A 49 45.577 41.093 65.313 1.00 0.00 H new ATOM 0 HD3 PRO A 49 45.224 41.362 63.618 1.00 0.00 H new ATOM 756 N TYR A 50 40.309 40.706 65.815 1.00 0.00 N ATOM 757 CA TYR A 50 39.483 40.360 66.988 1.00 0.00 C ATOM 758 C TYR A 50 39.502 38.800 67.037 1.00 0.00 C ATOM 759 O TYR A 50 39.020 38.100 66.146 1.00 0.00 O ATOM 760 CB TYR A 50 38.050 41.004 67.075 1.00 0.00 C ATOM 761 CG TYR A 50 37.153 40.821 65.870 1.00 0.00 C ATOM 762 CD1 TYR A 50 37.442 41.460 64.666 1.00 0.00 C ATOM 763 CD2 TYR A 50 35.972 40.084 65.935 1.00 0.00 C ATOM 764 CE1 TYR A 50 36.611 41.353 63.566 1.00 0.00 C ATOM 765 CE2 TYR A 50 35.116 39.970 64.847 1.00 0.00 C ATOM 766 CZ TYR A 50 35.418 40.613 63.642 1.00 0.00 C ATOM 767 OH TYR A 50 34.620 40.542 62.537 1.00 0.00 O ATOM 0 H TYR A 50 39.799 40.752 64.933 1.00 0.00 H new ATOM 0 HA TYR A 50 39.912 40.810 67.884 1.00 0.00 H new ATOM 0 HB2 TYR A 50 37.542 40.588 67.945 1.00 0.00 H new ATOM 0 HB3 TYR A 50 38.167 42.073 67.254 1.00 0.00 H new ATOM 0 HD1 TYR A 50 38.340 42.055 64.590 1.00 0.00 H new ATOM 0 HD2 TYR A 50 35.715 39.587 66.859 1.00 0.00 H new ATOM 0 HE1 TYR A 50 36.880 41.842 62.641 1.00 0.00 H new ATOM 0 HE2 TYR A 50 34.214 39.383 64.932 1.00 0.00 H new ATOM 0 HH TYR A 50 33.831 39.996 62.738 1.00 0.00 H new ATOM 777 N CYS A 51 40.117 38.240 68.153 1.00 0.00 N ATOM 778 CA CYS A 51 40.463 36.808 68.205 1.00 0.00 C ATOM 779 C CYS A 51 39.681 36.124 69.368 1.00 0.00 C ATOM 780 O CYS A 51 39.818 36.437 70.550 1.00 0.00 O ATOM 781 CB CYS A 51 41.974 36.613 68.416 1.00 0.00 C ATOM 782 SG CYS A 51 42.951 37.820 67.481 1.00 0.00 S ATOM 0 H CYS A 51 40.365 38.765 68.991 1.00 0.00 H new ATOM 0 HA CYS A 51 40.187 36.352 67.254 1.00 0.00 H new ATOM 0 HB2 CYS A 51 42.206 36.702 69.477 1.00 0.00 H new ATOM 0 HB3 CYS A 51 42.256 35.605 68.112 1.00 0.00 H new ATOM 787 N CYS A 52 38.825 35.115 68.978 1.00 0.00 N ATOM 788 CA CYS A 52 38.112 34.266 69.928 1.00 0.00 C ATOM 789 C CYS A 52 38.885 32.918 70.136 1.00 0.00 C ATOM 790 O CYS A 52 39.894 32.686 69.471 1.00 0.00 O ATOM 791 CB CYS A 52 36.703 34.078 69.403 1.00 0.00 C ATOM 792 SG CYS A 52 35.545 33.254 70.524 1.00 0.00 S ATOM 0 H CYS A 52 38.631 34.892 68.002 1.00 0.00 H new ATOM 0 HA CYS A 52 38.053 34.725 70.915 1.00 0.00 H new ATOM 0 HB2 CYS A 52 36.297 35.057 69.148 1.00 0.00 H new ATOM 0 HB3 CYS A 52 36.754 33.504 68.478 1.00 0.00 H new ATOM 797 N GLU A 53 38.406 32.033 71.088 1.00 0.00 N ATOM 798 CA GLU A 53 39.230 30.867 71.470 1.00 0.00 C ATOM 799 C GLU A 53 38.428 29.534 71.560 1.00 0.00 C ATOM 800 O GLU A 53 38.693 28.703 72.429 1.00 0.00 O ATOM 801 CB GLU A 53 40.093 31.166 72.718 1.00 0.00 C ATOM 802 CG GLU A 53 39.330 31.456 74.035 1.00 0.00 C ATOM 803 CD GLU A 53 38.442 32.689 73.934 1.00 0.00 C ATOM 804 OE1 GLU A 53 37.230 32.675 73.815 1.00 0.00 O ATOM 805 OE2 GLU A 53 39.162 33.814 73.984 1.00 0.00 O ATOM 0 H GLU A 53 37.508 32.113 71.566 1.00 0.00 H new ATOM 0 HA GLU A 53 39.926 30.695 70.649 1.00 0.00 H new ATOM 0 HB2 GLU A 53 40.754 30.316 72.887 1.00 0.00 H new ATOM 0 HB3 GLU A 53 40.728 32.024 72.496 1.00 0.00 H new ATOM 0 HG2 GLU A 53 38.719 30.592 74.295 1.00 0.00 H new ATOM 0 HG3 GLU A 53 40.047 31.594 74.844 1.00 0.00 H new ATOM 813 N SER A 54 37.502 29.285 70.557 1.00 0.00 N ATOM 814 CA SER A 54 36.820 27.995 70.541 1.00 0.00 C ATOM 815 C SER A 54 36.005 27.955 69.212 1.00 0.00 C ATOM 816 O SER A 54 34.968 28.604 69.075 1.00 0.00 O ATOM 817 CB SER A 54 35.866 27.645 71.719 1.00 0.00 C ATOM 818 OG SER A 54 35.558 26.252 71.742 1.00 0.00 O ATOM 0 H SER A 54 37.246 29.933 69.812 1.00 0.00 H new ATOM 0 HA SER A 54 37.608 27.248 70.640 1.00 0.00 H new ATOM 0 HB2 SER A 54 36.330 27.932 72.663 1.00 0.00 H new ATOM 0 HB3 SER A 54 34.945 28.221 71.628 1.00 0.00 H new ATOM 0 HG SER A 54 34.958 26.062 72.494 1.00 0.00 H new ATOM 824 N ASP A 55 36.486 27.137 68.198 1.00 0.00 N ATOM 825 CA ASP A 55 35.783 27.022 66.924 1.00 0.00 C ATOM 826 C ASP A 55 35.792 28.401 66.159 1.00 0.00 C ATOM 827 O ASP A 55 36.543 29.324 66.465 1.00 0.00 O ATOM 828 CB ASP A 55 34.366 26.395 67.074 1.00 0.00 C ATOM 829 CG ASP A 55 33.874 25.523 65.895 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.686 25.246 65.009 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.680 25.209 65.950 1.00 0.00 O ATOM 0 H ASP A 55 37.336 26.577 68.267 1.00 0.00 H new ATOM 0 HA ASP A 55 36.328 26.313 66.301 1.00 0.00 H new ATOM 0 HB2 ASP A 55 34.355 25.786 67.978 1.00 0.00 H new ATOM 0 HB3 ASP A 55 33.649 27.202 67.225 1.00 0.00 H new ATOM 836 N LYS A 56 34.930 28.476 65.077 1.00 0.00 N ATOM 837 CA LYS A 56 34.857 29.669 64.239 1.00 0.00 C ATOM 838 C LYS A 56 34.551 30.939 65.067 1.00 0.00 C ATOM 839 O LYS A 56 35.140 31.966 64.729 1.00 0.00 O ATOM 840 CB LYS A 56 33.990 29.573 62.980 1.00 0.00 C ATOM 841 CG LYS A 56 32.505 29.265 63.150 1.00 0.00 C ATOM 842 CD LYS A 56 32.103 27.864 63.671 1.00 0.00 C ATOM 843 CE LYS A 56 32.603 26.708 62.779 1.00 0.00 C ATOM 844 NZ LYS A 56 32.689 25.372 63.516 1.00 0.00 N ATOM 0 H LYS A 56 34.301 27.724 64.796 1.00 0.00 H new ATOM 0 HA LYS A 56 35.865 29.752 63.833 1.00 0.00 H new ATOM 0 HB2 LYS A 56 34.075 30.518 62.444 1.00 0.00 H new ATOM 0 HB3 LYS A 56 34.419 28.803 62.338 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.087 30.006 63.832 1.00 0.00 H new ATOM 0 HG3 LYS A 56 32.022 29.412 62.184 1.00 0.00 H new ATOM 0 HD2 LYS A 56 32.499 27.732 64.678 1.00 0.00 H new ATOM 0 HD3 LYS A 56 31.017 27.811 63.746 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.934 26.602 61.925 1.00 0.00 H new ATOM 0 HE3 LYS A 56 33.587 26.962 62.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 33.687 25.135 63.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 32.187 25.443 64.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.252 24.627 62.936 1.00 0.00 H new ATOM 858 N CYS A 57 33.627 30.915 66.097 1.00 0.00 N ATOM 859 CA CYS A 57 33.358 32.039 66.999 1.00 0.00 C ATOM 860 C CYS A 57 33.236 33.338 66.114 1.00 0.00 C ATOM 861 O CYS A 57 34.057 34.249 66.191 1.00 0.00 O ATOM 862 CB CYS A 57 34.360 32.161 68.148 1.00 0.00 C ATOM 863 SG CYS A 57 33.951 33.543 69.253 1.00 0.00 S ATOM 0 H CYS A 57 33.058 30.094 66.302 1.00 0.00 H new ATOM 0 HA CYS A 57 32.418 31.870 67.524 1.00 0.00 H new ATOM 0 HB2 CYS A 57 34.375 31.232 68.718 1.00 0.00 H new ATOM 0 HB3 CYS A 57 35.362 32.303 67.743 1.00 0.00 H new ATOM 868 N ASN A 58 32.129 33.395 65.272 1.00 0.00 N ATOM 869 CA ASN A 58 31.679 34.592 64.525 1.00 0.00 C ATOM 870 C ASN A 58 32.430 34.687 63.145 1.00 0.00 C ATOM 871 O ASN A 58 33.189 35.634 62.957 1.00 0.00 O ATOM 872 CB ASN A 58 31.722 35.932 65.310 1.00 0.00 C ATOM 873 CG ASN A 58 31.110 35.879 66.712 1.00 0.00 C ATOM 874 OD1 ASN A 58 31.682 35.420 67.683 1.00 0.00 O ATOM 875 ND2 ASN A 58 29.886 36.442 66.817 1.00 0.00 N ATOM 0 H ASN A 58 31.532 32.584 65.108 1.00 0.00 H new ATOM 0 HA ASN A 58 30.614 34.441 64.350 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.760 36.253 65.395 1.00 0.00 H new ATOM 0 HB3 ASN A 58 31.199 36.693 64.730 1.00 0.00 H new ATOM 0 HD21 ASN A 58 29.422 36.489 67.724 1.00 0.00 H new ATOM 0 HD22 ASN A 58 29.426 36.820 65.989 1.00 0.00 H new ATOM 882 N LEU A 59 32.194 33.709 62.185 1.00 0.00 N ATOM 883 CA LEU A 59 32.746 33.687 60.795 1.00 0.00 C ATOM 884 C LEU A 59 34.265 33.236 60.885 1.00 0.00 C ATOM 885 O LEU A 59 34.527 32.052 60.653 1.00 0.00 O ATOM 886 CB LEU A 59 32.576 34.967 59.942 1.00 0.00 C ATOM 887 CG LEU A 59 32.812 34.784 58.417 1.00 0.00 C ATOM 888 CD1 LEU A 59 31.787 33.853 57.747 1.00 0.00 C ATOM 889 CD2 LEU A 59 32.778 36.138 57.686 1.00 0.00 C ATOM 890 OXT LEU A 59 35.075 34.129 61.170 1.00 0.00 O ATOM 0 H LEU A 59 31.599 32.903 62.377 1.00 0.00 H new ATOM 0 HA LEU A 59 32.135 32.975 60.240 1.00 0.00 H new ATOM 0 HB2 LEU A 59 31.568 35.354 60.093 1.00 0.00 H new ATOM 0 HB3 LEU A 59 33.267 35.725 60.312 1.00 0.00 H new ATOM 0 HG LEU A 59 33.797 34.324 58.334 1.00 0.00 H new ATOM 0 HD11 LEU A 59 32.011 33.770 56.684 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.837 32.866 58.206 1.00 0.00 H new ATOM 0 HD13 LEU A 59 30.785 34.262 57.876 1.00 0.00 H new ATOM 0 HD21 LEU A 59 32.946 35.981 56.621 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.806 36.607 57.835 1.00 0.00 H new ATOM 0 HD23 LEU A 59 33.558 36.786 58.084 1.00 0.00 H new