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= -0.0532 X(o=1.3,f=1) USER MOD Set 1.2: A 6 HIS : no HD1:sc= 0.31 K(o=1.3,f=-1.9) USER MOD Set 1.3: A 13 THR OG1 : rot -58:sc= 1.08 USER MOD Single : A 1 ARG N :NH3+ -161:sc= 1.15! (180deg=-0.951!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 73: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=-0.34) USER MOD Single : A 21 SER OG : rot 39:sc= 1.04 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 173:sc= -0.777! (180deg=-0.951!) USER MOD Single : A 25 ASN : amide:sc= -3.44! C(o=-3.4!,f=-4.5!) USER MOD Single : A 28 THR OG1 : rot -90:sc= 1.65 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0402 USER MOD Single : A 56 LYS NZ :NH3+ -157:sc= -1.34! (180deg=-4.38!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 40.702 24.494 67.713 1.00 0.00 N ATOM 2 CA ARG A 1 39.311 24.440 67.056 1.00 0.00 C ATOM 3 C ARG A 1 39.489 24.808 65.546 1.00 0.00 C ATOM 4 O ARG A 1 40.600 25.145 65.148 1.00 0.00 O ATOM 5 CB ARG A 1 38.288 25.372 67.773 1.00 0.00 C ATOM 6 CG ARG A 1 37.002 24.678 68.290 1.00 0.00 C ATOM 7 CD ARG A 1 37.233 23.549 69.309 1.00 0.00 C ATOM 8 NE ARG A 1 38.069 23.889 70.498 1.00 0.00 N ATOM 9 CZ ARG A 1 37.892 24.920 71.310 1.00 0.00 C ATOM 10 NH1 ARG A 1 36.714 25.447 71.504 1.00 0.00 N ATOM 11 NH2 ARG A 1 38.933 25.402 71.931 1.00 0.00 N ATOM 0 H1 ARG A 1 40.686 23.959 68.605 1.00 0.00 H new ATOM 0 H2 ARG A 1 41.406 24.076 67.071 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.956 25.484 67.908 1.00 0.00 H new ATOM 0 HA ARG A 1 38.894 23.437 67.147 1.00 0.00 H new ATOM 0 HB2 ARG A 1 38.787 25.849 68.617 1.00 0.00 H new ATOM 0 HB3 ARG A 1 38.000 26.165 67.083 1.00 0.00 H new ATOM 0 HG2 ARG A 1 36.360 25.431 68.746 1.00 0.00 H new ATOM 0 HG3 ARG A 1 36.460 24.271 67.437 1.00 0.00 H new ATOM 0 HD2 ARG A 1 36.261 23.203 69.662 1.00 0.00 H new ATOM 0 HD3 ARG A 1 37.700 22.712 68.791 1.00 0.00 H new ATOM 0 HE ARG A 1 38.851 23.268 70.705 1.00 0.00 H new ATOM 0 HH11 ARG A 1 35.899 25.065 71.024 1.00 0.00 H new ATOM 0 HH12 ARG A 1 36.608 26.241 72.136 1.00 0.00 H new ATOM 0 HH21 ARG A 1 39.852 24.985 71.785 1.00 0.00 H new ATOM 0 HH22 ARG A 1 38.828 26.196 72.563 1.00 0.00 H new ATOM 27 N ILE A 2 38.393 24.703 64.693 1.00 0.00 N ATOM 28 CA ILE A 2 38.553 24.929 63.233 1.00 0.00 C ATOM 29 C ILE A 2 38.025 26.359 62.866 1.00 0.00 C ATOM 30 O ILE A 2 36.863 26.697 63.089 1.00 0.00 O ATOM 31 CB ILE A 2 37.862 23.923 62.265 1.00 0.00 C ATOM 32 CG1 ILE A 2 38.249 22.444 62.532 1.00 0.00 C ATOM 33 CG2 ILE A 2 38.171 24.270 60.778 1.00 0.00 C ATOM 34 CD1 ILE A 2 37.519 21.720 63.676 1.00 0.00 C ATOM 0 H ILE A 2 37.445 24.474 64.993 1.00 0.00 H new ATOM 0 HA ILE A 2 39.623 24.791 63.080 1.00 0.00 H new ATOM 0 HB ILE A 2 36.794 24.024 62.458 1.00 0.00 H new ATOM 0 HG12 ILE A 2 38.081 21.880 61.614 1.00 0.00 H new ATOM 0 HG13 ILE A 2 39.319 22.407 62.737 1.00 0.00 H new ATOM 0 HG21 ILE A 2 37.675 23.551 60.126 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.807 25.273 60.555 1.00 0.00 H new ATOM 0 HG23 ILE A 2 39.247 24.230 60.611 1.00 0.00 H new ATOM 0 HD11 ILE A 2 37.886 20.696 63.752 1.00 0.00 H new ATOM 0 HD12 ILE A 2 37.705 22.242 64.614 1.00 0.00 H new ATOM 0 HD13 ILE A 2 36.448 21.707 63.474 1.00 0.00 H new ATOM 46 N CYS A 3 38.927 27.211 62.238 1.00 0.00 N ATOM 47 CA CYS A 3 38.472 28.478 61.654 1.00 0.00 C ATOM 48 C CYS A 3 39.208 28.681 60.287 1.00 0.00 C ATOM 49 O CYS A 3 40.336 28.239 60.071 1.00 0.00 O ATOM 50 CB CYS A 3 38.604 29.733 62.532 1.00 0.00 C ATOM 51 SG CYS A 3 37.981 29.383 64.208 1.00 0.00 S ATOM 0 H CYS A 3 39.926 27.027 62.141 1.00 0.00 H new ATOM 0 HA CYS A 3 37.393 28.375 61.534 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.647 30.046 62.580 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.044 30.557 62.091 1.00 0.00 H new ATOM 56 N TYR A 4 38.503 29.390 59.326 1.00 0.00 N ATOM 57 CA TYR A 4 38.929 29.308 57.917 1.00 0.00 C ATOM 58 C TYR A 4 39.904 30.421 57.458 1.00 0.00 C ATOM 59 O TYR A 4 40.068 31.423 58.144 1.00 0.00 O ATOM 60 CB TYR A 4 37.657 29.390 57.047 1.00 0.00 C ATOM 61 CG TYR A 4 36.519 28.496 57.533 1.00 0.00 C ATOM 62 CD1 TYR A 4 36.729 27.258 58.141 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.198 28.921 57.405 1.00 0.00 C ATOM 64 CE1 TYR A 4 35.682 26.456 58.559 1.00 0.00 C ATOM 65 CE2 TYR A 4 34.132 28.126 57.797 1.00 0.00 C ATOM 66 CZ TYR A 4 34.357 26.857 58.340 1.00 0.00 C ATOM 67 OH TYR A 4 33.336 26.001 58.651 1.00 0.00 O ATOM 0 H TYR A 4 37.692 29.981 59.508 1.00 0.00 H new ATOM 0 HA TYR A 4 39.477 28.372 57.809 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.310 30.423 57.024 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.910 29.115 56.023 1.00 0.00 H new ATOM 0 HD1 TYR A 4 37.742 26.914 58.290 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.999 29.897 56.989 1.00 0.00 H new ATOM 0 HE1 TYR A 4 35.886 25.519 59.055 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.121 28.489 57.682 1.00 0.00 H new ATOM 0 HH TYR A 4 32.478 26.426 58.442 1.00 0.00 H new ATOM 77 N ASN A 5 40.527 30.253 56.230 1.00 0.00 N ATOM 78 CA ASN A 5 41.428 31.312 55.748 1.00 0.00 C ATOM 79 C ASN A 5 41.288 31.520 54.212 1.00 0.00 C ATOM 80 O ASN A 5 42.190 32.079 53.589 1.00 0.00 O ATOM 81 CB ASN A 5 42.894 31.117 56.188 1.00 0.00 C ATOM 82 CG ASN A 5 43.611 29.979 55.477 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.089 29.176 54.725 1.00 0.00 O ATOM 84 ND2 ASN A 5 44.932 29.931 55.755 1.00 0.00 N ATOM 0 H ASN A 5 40.418 29.447 55.615 1.00 0.00 H new ATOM 0 HA ASN A 5 41.107 32.234 56.232 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.441 32.043 56.011 1.00 0.00 H new ATOM 0 HB3 ASN A 5 42.918 30.932 57.262 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.516 29.210 55.331 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.345 30.616 56.388 1.00 0.00 H new ATOM 91 N HIS A 6 40.091 31.144 53.618 1.00 0.00 N ATOM 92 CA HIS A 6 39.807 31.213 52.194 1.00 0.00 C ATOM 93 C HIS A 6 39.578 32.711 51.729 1.00 0.00 C ATOM 94 O HIS A 6 40.037 33.627 52.403 1.00 0.00 O ATOM 95 CB HIS A 6 40.707 30.234 51.338 1.00 0.00 C ATOM 96 CG HIS A 6 42.088 30.647 50.938 1.00 0.00 C ATOM 97 ND1 HIS A 6 43.120 29.706 50.761 1.00 0.00 N ATOM 98 CD2 HIS A 6 42.688 31.835 50.632 1.00 0.00 C ATOM 99 CE1 HIS A 6 44.272 30.271 50.421 1.00 0.00 C ATOM 100 NE2 HIS A 6 44.018 31.584 50.323 1.00 0.00 N ATOM 0 H HIS A 6 39.306 30.783 54.160 1.00 0.00 H new ATOM 0 HA HIS A 6 38.835 30.776 51.967 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.796 29.303 51.897 1.00 0.00 H new ATOM 0 HB3 HIS A 6 40.159 30.006 50.424 1.00 0.00 H new ATOM 0 HD2 HIS A 6 42.210 32.803 50.631 1.00 0.00 H new ATOM 0 HE1 HIS A 6 45.218 29.776 50.257 1.00 0.00 H new ATOM 0 HE2 HIS A 6 44.702 32.294 50.060 1.00 0.00 H new ATOM 109 N LEU A 7 38.740 32.978 50.648 1.00 0.00 N ATOM 110 CA LEU A 7 38.413 34.343 50.223 1.00 0.00 C ATOM 111 C LEU A 7 39.682 35.141 49.759 1.00 0.00 C ATOM 112 O LEU A 7 40.762 34.586 49.567 1.00 0.00 O ATOM 113 CB LEU A 7 37.533 35.065 51.272 1.00 0.00 C ATOM 114 CG LEU A 7 36.189 34.364 51.603 1.00 0.00 C ATOM 115 CD1 LEU A 7 35.557 34.891 52.901 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.179 34.532 50.456 1.00 0.00 C ATOM 0 H LEU A 7 38.301 32.251 50.083 1.00 0.00 H new ATOM 0 HA LEU A 7 37.795 34.284 49.327 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.106 35.170 52.193 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.320 36.072 50.913 1.00 0.00 H new ATOM 0 HG LEU A 7 36.425 33.308 51.737 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.619 34.368 53.087 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.239 34.720 53.734 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.364 35.959 52.804 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.247 34.031 50.716 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.987 35.592 50.292 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.586 34.092 49.546 1.00 0.00 H new ATOM 128 N GLY A 8 39.471 36.474 49.450 1.00 0.00 N ATOM 129 CA GLY A 8 40.567 37.345 49.019 1.00 0.00 C ATOM 130 C GLY A 8 41.269 36.763 47.772 1.00 0.00 C ATOM 131 O GLY A 8 42.495 36.806 47.730 1.00 0.00 O ATOM 0 H GLY A 8 38.562 36.933 49.499 1.00 0.00 H new ATOM 0 HA2 GLY A 8 40.181 38.339 48.794 1.00 0.00 H new ATOM 0 HA3 GLY A 8 41.288 37.458 49.829 1.00 0.00 H new ATOM 135 N THR A 9 40.467 36.293 46.736 1.00 0.00 N ATOM 136 CA THR A 9 40.850 35.716 45.415 1.00 0.00 C ATOM 137 C THR A 9 40.472 34.208 45.342 1.00 0.00 C ATOM 138 O THR A 9 39.999 33.752 44.302 1.00 0.00 O ATOM 139 CB THR A 9 42.350 35.835 45.029 1.00 0.00 C ATOM 140 OG1 THR A 9 42.814 37.185 44.967 1.00 0.00 O ATOM 141 CG2 THR A 9 42.733 35.228 43.670 1.00 0.00 C ATOM 0 H THR A 9 39.452 36.319 46.832 1.00 0.00 H new ATOM 0 HA THR A 9 40.289 36.324 44.705 1.00 0.00 H new ATOM 0 HB THR A 9 42.816 35.272 45.837 1.00 0.00 H new ATOM 0 HG1 THR A 9 42.890 37.547 45.875 1.00 0.00 H new ATOM 0 HG21 THR A 9 43.801 35.365 43.498 1.00 0.00 H new ATOM 0 HG22 THR A 9 42.499 34.163 43.668 1.00 0.00 H new ATOM 0 HG23 THR A 9 42.172 35.725 42.879 1.00 0.00 H new ATOM 149 N LYS A 10 40.711 33.425 46.458 1.00 0.00 N ATOM 150 CA LYS A 10 40.623 31.947 46.407 1.00 0.00 C ATOM 151 C LYS A 10 39.836 31.395 47.653 1.00 0.00 C ATOM 152 O LYS A 10 40.352 31.507 48.754 1.00 0.00 O ATOM 153 CB LYS A 10 42.030 31.287 46.408 1.00 0.00 C ATOM 154 CG LYS A 10 42.899 31.651 45.172 1.00 0.00 C ATOM 155 CD LYS A 10 43.377 30.482 44.277 1.00 0.00 C ATOM 156 CE LYS A 10 42.384 30.208 43.138 1.00 0.00 C ATOM 157 NZ LYS A 10 42.794 29.001 42.284 1.00 0.00 N ATOM 0 H LYS A 10 40.959 33.800 47.374 1.00 0.00 H new ATOM 0 HA LYS A 10 40.103 31.698 45.482 1.00 0.00 H new ATOM 0 HB2 LYS A 10 42.560 31.586 47.313 1.00 0.00 H new ATOM 0 HB3 LYS A 10 41.912 30.204 46.451 1.00 0.00 H new ATOM 0 HG2 LYS A 10 42.330 32.342 44.550 1.00 0.00 H new ATOM 0 HG3 LYS A 10 43.779 32.189 45.524 1.00 0.00 H new ATOM 0 HD2 LYS A 10 44.356 30.718 43.860 1.00 0.00 H new ATOM 0 HD3 LYS A 10 43.496 29.583 44.882 1.00 0.00 H new ATOM 0 HE2 LYS A 10 41.393 30.033 43.557 1.00 0.00 H new ATOM 0 HE3 LYS A 10 42.310 31.091 42.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 42.094 28.856 41.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 43.728 29.176 41.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 42.839 28.152 42.882 1.00 0.00 H new ATOM 171 N PRO A 11 38.638 30.680 47.491 1.00 0.00 N ATOM 172 CA PRO A 11 37.920 30.053 48.642 1.00 0.00 C ATOM 173 C PRO A 11 38.279 28.572 49.122 1.00 0.00 C ATOM 174 O PRO A 11 37.760 28.217 50.181 1.00 0.00 O ATOM 175 CB PRO A 11 36.424 30.082 48.266 1.00 0.00 C ATOM 176 CG PRO A 11 36.322 31.265 47.298 1.00 0.00 C ATOM 177 CD PRO A 11 37.639 31.168 46.527 1.00 0.00 C ATOM 0 HA PRO A 11 38.239 30.642 49.502 1.00 0.00 H new ATOM 0 HB2 PRO A 11 36.110 29.150 47.796 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.792 30.225 49.143 1.00 0.00 H new ATOM 0 HG2 PRO A 11 35.458 31.179 46.639 1.00 0.00 H new ATOM 0 HG3 PRO A 11 36.228 32.215 47.825 1.00 0.00 H new ATOM 0 HD2 PRO A 11 37.547 30.486 45.682 1.00 0.00 H new ATOM 0 HD3 PRO A 11 37.928 32.139 46.124 1.00 0.00 H new ATOM 185 N PRO A 12 39.220 27.753 48.495 1.00 0.00 N ATOM 186 CA PRO A 12 39.450 26.345 48.884 1.00 0.00 C ATOM 187 C PRO A 12 40.072 25.854 50.245 1.00 0.00 C ATOM 188 O PRO A 12 39.975 24.638 50.438 1.00 0.00 O ATOM 189 CB PRO A 12 40.407 25.856 47.781 1.00 0.00 C ATOM 190 CG PRO A 12 39.810 26.506 46.533 1.00 0.00 C ATOM 191 CD PRO A 12 39.497 27.903 47.065 1.00 0.00 C ATOM 0 HA PRO A 12 38.437 25.965 49.019 1.00 0.00 H new ATOM 0 HB2 PRO A 12 41.433 26.179 47.958 1.00 0.00 H new ATOM 0 HB3 PRO A 12 40.423 24.769 47.707 1.00 0.00 H new ATOM 0 HG2 PRO A 12 40.514 26.528 45.701 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.918 25.987 46.182 1.00 0.00 H new ATOM 0 HD2 PRO A 12 40.338 28.577 46.902 1.00 0.00 H new ATOM 0 HD3 PRO A 12 38.639 28.332 46.547 1.00 0.00 H new ATOM 199 N THR A 13 40.681 26.668 51.196 1.00 0.00 N ATOM 200 CA THR A 13 41.311 26.077 52.420 1.00 0.00 C ATOM 201 C THR A 13 40.853 26.648 53.823 1.00 0.00 C ATOM 202 O THR A 13 40.405 27.778 53.993 1.00 0.00 O ATOM 203 CB THR A 13 42.864 26.108 52.399 1.00 0.00 C ATOM 204 OG1 THR A 13 43.429 27.418 52.445 1.00 0.00 O ATOM 205 CG2 THR A 13 43.476 25.386 51.186 1.00 0.00 C ATOM 0 H THR A 13 40.740 27.684 51.132 1.00 0.00 H new ATOM 0 HA THR A 13 40.930 25.058 52.346 1.00 0.00 H new ATOM 0 HB THR A 13 43.119 25.578 53.317 1.00 0.00 H new ATOM 0 HG1 THR A 13 43.104 27.941 51.683 1.00 0.00 H new ATOM 0 HG21 THR A 13 44.563 25.447 51.236 1.00 0.00 H new ATOM 0 HG22 THR A 13 43.171 24.340 51.193 1.00 0.00 H new ATOM 0 HG23 THR A 13 43.128 25.859 50.268 1.00 0.00 H new ATOM 213 N THR A 14 41.094 25.759 54.860 1.00 0.00 N ATOM 214 CA THR A 14 40.681 25.916 56.260 1.00 0.00 C ATOM 215 C THR A 14 41.805 25.448 57.249 1.00 0.00 C ATOM 216 O THR A 14 42.679 24.667 56.876 1.00 0.00 O ATOM 217 CB THR A 14 39.382 25.132 56.498 1.00 0.00 C ATOM 218 OG1 THR A 14 39.584 23.733 56.281 1.00 0.00 O ATOM 219 CG2 THR A 14 38.251 25.672 55.596 1.00 0.00 C ATOM 0 H THR A 14 41.603 24.889 54.706 1.00 0.00 H new ATOM 0 HA THR A 14 40.505 26.974 56.454 1.00 0.00 H new ATOM 0 HB THR A 14 39.085 25.270 57.538 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.745 23.253 56.440 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.338 25.105 55.778 1.00 0.00 H new ATOM 0 HG22 THR A 14 38.076 26.724 55.822 1.00 0.00 H new ATOM 0 HG23 THR A 14 38.539 25.569 54.550 1.00 0.00 H new ATOM 227 N GLU A 15 41.767 25.954 58.543 1.00 0.00 N ATOM 228 CA GLU A 15 42.820 25.613 59.529 1.00 0.00 C ATOM 229 C GLU A 15 42.187 24.731 60.658 1.00 0.00 C ATOM 230 O GLU A 15 41.476 25.222 61.534 1.00 0.00 O ATOM 231 CB GLU A 15 43.514 26.822 60.200 1.00 0.00 C ATOM 232 CG GLU A 15 44.417 27.655 59.271 1.00 0.00 C ATOM 233 CD GLU A 15 45.074 28.761 60.091 1.00 0.00 C ATOM 234 OE1 GLU A 15 44.516 29.760 60.509 1.00 0.00 O ATOM 235 OE2 GLU A 15 46.364 28.508 60.314 1.00 0.00 O ATOM 0 H GLU A 15 41.038 26.574 58.896 1.00 0.00 H new ATOM 0 HA GLU A 15 43.592 25.093 58.962 1.00 0.00 H new ATOM 0 HB2 GLU A 15 42.748 27.475 60.618 1.00 0.00 H new ATOM 0 HB3 GLU A 15 44.114 26.460 61.035 1.00 0.00 H new ATOM 0 HG2 GLU A 15 45.177 27.021 58.814 1.00 0.00 H new ATOM 0 HG3 GLU A 15 43.830 28.084 58.459 1.00 0.00 H new ATOM 243 N THR A 16 42.510 23.374 60.638 1.00 0.00 N ATOM 244 CA THR A 16 42.221 22.492 61.789 1.00 0.00 C ATOM 245 C THR A 16 43.352 22.902 62.790 1.00 0.00 C ATOM 246 O THR A 16 44.514 22.530 62.623 1.00 0.00 O ATOM 247 CB THR A 16 42.260 20.961 61.511 1.00 0.00 C ATOM 248 OG1 THR A 16 41.207 20.555 60.637 1.00 0.00 O ATOM 249 CG2 THR A 16 42.208 20.094 62.780 1.00 0.00 C ATOM 0 H THR A 16 42.956 22.906 59.849 1.00 0.00 H new ATOM 0 HA THR A 16 41.196 22.628 62.134 1.00 0.00 H new ATOM 0 HB THR A 16 43.227 20.797 61.036 1.00 0.00 H new ATOM 0 HG1 THR A 16 41.264 19.589 60.483 1.00 0.00 H new ATOM 0 HG21 THR A 16 42.239 19.040 62.502 1.00 0.00 H new ATOM 0 HG22 THR A 16 43.062 20.327 63.415 1.00 0.00 H new ATOM 0 HG23 THR A 16 41.285 20.299 63.323 1.00 0.00 H new ATOM 257 N CYS A 17 42.993 23.687 63.883 1.00 0.00 N ATOM 258 CA CYS A 17 44.035 24.360 64.681 1.00 0.00 C ATOM 259 C CYS A 17 44.062 23.958 66.192 1.00 0.00 C ATOM 260 O CYS A 17 43.052 23.604 66.799 1.00 0.00 O ATOM 261 CB CYS A 17 43.845 25.868 64.570 1.00 0.00 C ATOM 262 SG CYS A 17 45.389 26.811 64.749 1.00 0.00 S ATOM 0 H CYS A 17 42.035 23.846 64.196 1.00 0.00 H new ATOM 0 HA CYS A 17 44.990 24.036 64.268 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.398 26.099 63.603 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.139 26.194 65.334 1.00 0.00 H new ATOM 267 N GLN A 18 45.299 24.119 66.789 1.00 0.00 N ATOM 268 CA GLN A 18 45.600 23.891 68.204 1.00 0.00 C ATOM 269 C GLN A 18 45.891 25.257 68.935 1.00 0.00 C ATOM 270 O GLN A 18 46.220 25.246 70.122 1.00 0.00 O ATOM 271 CB GLN A 18 46.714 22.832 68.412 1.00 0.00 C ATOM 272 CG GLN A 18 46.667 22.091 69.769 1.00 0.00 C ATOM 273 CD GLN A 18 47.555 20.836 69.765 1.00 0.00 C ATOM 274 OE1 GLN A 18 47.584 20.044 68.841 1.00 0.00 O ATOM 275 NE2 GLN A 18 48.281 20.644 70.890 1.00 0.00 N ATOM 0 H GLN A 18 46.117 24.420 66.260 1.00 0.00 H new ATOM 0 HA GLN A 18 44.715 23.460 68.672 1.00 0.00 H new ATOM 0 HB2 GLN A 18 46.649 22.096 67.611 1.00 0.00 H new ATOM 0 HB3 GLN A 18 47.683 23.322 68.316 1.00 0.00 H new ATOM 0 HG2 GLN A 18 46.992 22.764 70.562 1.00 0.00 H new ATOM 0 HG3 GLN A 18 45.639 21.808 69.993 1.00 0.00 H new ATOM 0 HE21 GLN A 18 48.237 21.325 71.648 1.00 0.00 H new ATOM 0 HE22 GLN A 18 48.873 19.818 70.980 1.00 0.00 H new ATOM 284 N GLU A 19 45.772 26.465 68.248 1.00 0.00 N ATOM 285 CA GLU A 19 45.876 27.767 68.918 1.00 0.00 C ATOM 286 C GLU A 19 44.387 28.040 69.313 1.00 0.00 C ATOM 287 O GLU A 19 43.574 28.513 68.527 1.00 0.00 O ATOM 288 CB GLU A 19 46.539 28.870 68.074 1.00 0.00 C ATOM 289 CG GLU A 19 48.042 28.584 67.852 1.00 0.00 C ATOM 290 CD GLU A 19 48.783 29.838 67.434 1.00 0.00 C ATOM 291 OE1 GLU A 19 49.450 30.550 68.173 1.00 0.00 O ATOM 292 OE2 GLU A 19 48.637 30.093 66.139 1.00 0.00 O ATOM 0 H GLU A 19 45.606 26.527 67.243 1.00 0.00 H new ATOM 0 HA GLU A 19 46.550 27.762 69.775 1.00 0.00 H new ATOM 0 HB2 GLU A 19 46.035 28.945 67.110 1.00 0.00 H new ATOM 0 HB3 GLU A 19 46.420 29.832 68.572 1.00 0.00 H new ATOM 0 HG2 GLU A 19 48.479 28.189 68.769 1.00 0.00 H new ATOM 0 HG3 GLU A 19 48.160 27.817 67.087 1.00 0.00 H new ATOM 300 N ASP A 20 44.102 27.694 70.625 1.00 0.00 N ATOM 301 CA ASP A 20 42.849 27.519 71.369 1.00 0.00 C ATOM 302 C ASP A 20 41.692 28.576 71.152 1.00 0.00 C ATOM 303 O ASP A 20 40.564 28.343 71.599 1.00 0.00 O ATOM 304 CB ASP A 20 42.351 26.066 71.396 1.00 0.00 C ATOM 305 CG ASP A 20 41.669 25.505 70.123 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.745 26.159 69.082 1.00 0.00 O ATOM 307 OD2 ASP A 20 41.077 24.428 70.283 1.00 0.00 O ATOM 0 H ASP A 20 44.886 27.511 71.252 1.00 0.00 H new ATOM 0 HA ASP A 20 43.174 27.774 72.378 1.00 0.00 H new ATOM 0 HB2 ASP A 20 43.202 25.426 71.628 1.00 0.00 H new ATOM 0 HB3 ASP A 20 41.646 25.970 72.222 1.00 0.00 H new ATOM 312 N SER A 21 42.002 29.793 70.589 1.00 0.00 N ATOM 313 CA SER A 21 41.053 30.871 70.316 1.00 0.00 C ATOM 314 C SER A 21 41.268 31.315 68.842 1.00 0.00 C ATOM 315 O SER A 21 42.393 31.389 68.343 1.00 0.00 O ATOM 316 CB SER A 21 41.254 32.116 71.210 1.00 0.00 C ATOM 317 OG SER A 21 40.469 33.263 70.895 1.00 0.00 O ATOM 0 H SER A 21 42.955 30.032 70.314 1.00 0.00 H new ATOM 0 HA SER A 21 40.053 30.486 70.516 1.00 0.00 H new ATOM 0 HB2 SER A 21 41.043 31.832 72.241 1.00 0.00 H new ATOM 0 HB3 SER A 21 42.305 32.400 71.166 1.00 0.00 H new ATOM 0 HG SER A 21 39.566 32.981 70.638 1.00 0.00 H new ATOM 323 N CYS A 22 40.130 31.649 68.130 1.00 0.00 N ATOM 324 CA CYS A 22 40.248 32.126 66.759 1.00 0.00 C ATOM 325 C CYS A 22 39.513 33.470 66.543 1.00 0.00 C ATOM 326 O CYS A 22 38.720 33.927 67.363 1.00 0.00 O ATOM 327 CB CYS A 22 39.847 31.055 65.709 1.00 0.00 C ATOM 328 SG CYS A 22 38.152 31.238 65.077 1.00 0.00 S ATOM 0 H CYS A 22 39.178 31.590 68.490 1.00 0.00 H new ATOM 0 HA CYS A 22 41.308 32.319 66.596 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.543 31.103 64.872 1.00 0.00 H new ATOM 0 HB3 CYS A 22 39.953 30.066 66.155 1.00 0.00 H new ATOM 333 N TYR A 23 39.853 34.101 65.368 1.00 0.00 N ATOM 334 CA TYR A 23 39.456 35.481 65.135 1.00 0.00 C ATOM 335 C TYR A 23 38.959 35.760 63.700 1.00 0.00 C ATOM 336 O TYR A 23 39.274 35.070 62.729 1.00 0.00 O ATOM 337 CB TYR A 23 40.659 36.440 65.416 1.00 0.00 C ATOM 338 CG TYR A 23 41.870 36.133 64.557 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.025 36.665 63.278 1.00 0.00 C ATOM 340 CD2 TYR A 23 42.891 35.317 65.039 1.00 0.00 C ATOM 341 CE1 TYR A 23 43.167 36.438 62.525 1.00 0.00 C ATOM 342 CE2 TYR A 23 44.039 35.070 64.300 1.00 0.00 C ATOM 343 CZ TYR A 23 44.203 35.632 63.033 1.00 0.00 C ATOM 344 OH TYR A 23 45.311 35.422 62.271 1.00 0.00 O ATOM 0 H TYR A 23 40.382 33.670 64.610 1.00 0.00 H new ATOM 0 HA TYR A 23 38.624 35.660 65.816 1.00 0.00 H new ATOM 0 HB2 TYR A 23 40.346 37.469 65.240 1.00 0.00 H new ATOM 0 HB3 TYR A 23 40.937 36.367 66.467 1.00 0.00 H new ATOM 0 HD1 TYR A 23 41.234 37.271 62.862 1.00 0.00 H new ATOM 0 HD2 TYR A 23 42.786 34.865 66.014 1.00 0.00 H new ATOM 0 HE1 TYR A 23 43.262 36.881 61.545 1.00 0.00 H new ATOM 0 HE2 TYR A 23 44.813 34.437 64.709 1.00 0.00 H new ATOM 0 HH TYR A 23 45.938 34.846 62.757 1.00 0.00 H new ATOM 354 N LYS A 24 38.174 36.895 63.646 1.00 0.00 N ATOM 355 CA LYS A 24 37.590 37.451 62.429 1.00 0.00 C ATOM 356 C LYS A 24 38.347 38.808 62.178 1.00 0.00 C ATOM 357 O LYS A 24 38.340 39.742 62.978 1.00 0.00 O ATOM 358 CB LYS A 24 36.050 37.658 62.520 1.00 0.00 C ATOM 359 CG LYS A 24 35.204 36.924 61.456 1.00 0.00 C ATOM 360 CD LYS A 24 35.300 35.382 61.349 1.00 0.00 C ATOM 361 CE LYS A 24 35.093 34.546 62.628 1.00 0.00 C ATOM 362 NZ LYS A 24 34.450 33.193 62.278 1.00 0.00 N ATOM 0 H LYS A 24 37.943 37.437 64.479 1.00 0.00 H new ATOM 0 HA LYS A 24 37.713 36.755 61.599 1.00 0.00 H new ATOM 0 HB2 LYS A 24 35.718 37.334 63.506 1.00 0.00 H new ATOM 0 HB3 LYS A 24 35.842 38.726 62.448 1.00 0.00 H new ATOM 0 HG2 LYS A 24 34.159 37.176 61.636 1.00 0.00 H new ATOM 0 HG3 LYS A 24 35.469 37.338 60.483 1.00 0.00 H new ATOM 0 HD2 LYS A 24 34.565 35.053 60.614 1.00 0.00 H new ATOM 0 HD3 LYS A 24 36.283 35.137 60.947 1.00 0.00 H new ATOM 0 HE2 LYS A 24 36.050 34.385 63.125 1.00 0.00 H new ATOM 0 HE3 LYS A 24 34.458 35.089 63.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 34.423 32.592 63.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.481 33.348 61.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 35.010 32.724 61.538 1.00 0.00 H new ATOM 376 N ASN A 25 39.027 38.886 60.980 1.00 0.00 N ATOM 377 CA ASN A 25 39.842 40.026 60.527 1.00 0.00 C ATOM 378 C ASN A 25 39.116 40.459 59.188 1.00 0.00 C ATOM 379 O ASN A 25 39.003 39.686 58.236 1.00 0.00 O ATOM 380 CB ASN A 25 41.288 39.598 60.378 1.00 0.00 C ATOM 381 CG ASN A 25 42.215 40.785 60.376 1.00 0.00 C ATOM 382 OD1 ASN A 25 42.693 41.270 61.384 1.00 0.00 O ATOM 383 ND2 ASN A 25 42.432 41.302 59.158 1.00 0.00 N ATOM 0 H ASN A 25 39.009 38.126 60.300 1.00 0.00 H new ATOM 0 HA ASN A 25 39.904 40.871 61.213 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.556 38.926 61.194 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.410 39.038 59.451 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.016 42.132 59.053 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.013 40.866 58.337 1.00 0.00 H new ATOM 390 N ILE A 26 38.611 41.761 59.151 1.00 0.00 N ATOM 391 CA ILE A 26 37.423 42.118 58.323 1.00 0.00 C ATOM 392 C ILE A 26 37.604 43.348 57.373 1.00 0.00 C ATOM 393 O ILE A 26 36.679 44.089 57.047 1.00 0.00 O ATOM 394 CB ILE A 26 36.252 42.302 59.320 1.00 0.00 C ATOM 395 CG1 ILE A 26 36.300 43.433 60.404 1.00 0.00 C ATOM 396 CG2 ILE A 26 36.054 40.987 60.108 1.00 0.00 C ATOM 397 CD1 ILE A 26 37.038 44.747 60.130 1.00 0.00 C ATOM 0 H ILE A 26 39.009 42.541 59.675 1.00 0.00 H new ATOM 0 HA ILE A 26 37.235 41.316 57.610 1.00 0.00 H new ATOM 0 HB ILE A 26 35.453 42.603 58.643 1.00 0.00 H new ATOM 0 HG12 ILE A 26 35.269 43.689 60.647 1.00 0.00 H new ATOM 0 HG13 ILE A 26 36.740 42.999 61.302 1.00 0.00 H new ATOM 0 HG21 ILE A 26 35.231 41.106 60.813 1.00 0.00 H new ATOM 0 HG22 ILE A 26 35.823 40.178 59.414 1.00 0.00 H new ATOM 0 HG23 ILE A 26 36.967 40.748 60.653 1.00 0.00 H new ATOM 0 HD11 ILE A 26 36.956 45.398 61.000 1.00 0.00 H new ATOM 0 HD12 ILE A 26 38.089 44.539 59.930 1.00 0.00 H new ATOM 0 HD13 ILE A 26 36.594 45.240 59.265 1.00 0.00 H new ATOM 409 N TRP A 27 38.866 43.434 56.840 1.00 0.00 N ATOM 410 CA TRP A 27 39.420 44.622 56.193 1.00 0.00 C ATOM 411 C TRP A 27 40.522 44.105 55.193 1.00 0.00 C ATOM 412 O TRP A 27 40.213 43.768 54.054 1.00 0.00 O ATOM 413 CB TRP A 27 39.938 45.713 57.205 1.00 0.00 C ATOM 414 CG TRP A 27 40.412 45.180 58.534 1.00 0.00 C ATOM 415 CD1 TRP A 27 40.826 43.852 58.773 1.00 0.00 C ATOM 416 CD2 TRP A 27 40.385 45.748 59.808 1.00 0.00 C ATOM 417 NE1 TRP A 27 40.932 43.546 60.097 1.00 0.00 N ATOM 418 CE2 TRP A 27 40.697 44.750 60.738 1.00 0.00 C ATOM 419 CE3 TRP A 27 39.995 47.016 60.304 1.00 0.00 C ATOM 420 CZ2 TRP A 27 40.684 44.909 62.085 1.00 0.00 C ATOM 421 CZ3 TRP A 27 39.967 47.217 61.676 1.00 0.00 C ATOM 422 CH2 TRP A 27 40.322 46.178 62.562 1.00 0.00 C ATOM 0 H TRP A 27 39.521 42.652 56.860 1.00 0.00 H new ATOM 0 HA TRP A 27 38.641 45.160 55.653 1.00 0.00 H new ATOM 0 HB2 TRP A 27 40.757 46.260 56.738 1.00 0.00 H new ATOM 0 HB3 TRP A 27 39.137 46.430 57.384 1.00 0.00 H new ATOM 0 HD1 TRP A 27 41.038 43.147 57.983 1.00 0.00 H new ATOM 0 HE1 TRP A 27 41.137 42.640 60.518 1.00 0.00 H new ATOM 0 HE3 TRP A 27 39.724 47.812 59.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 40.939 44.101 62.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 39.671 48.178 62.070 1.00 0.00 H new ATOM 0 HH2 TRP A 27 40.315 46.363 63.626 1.00 0.00 H new ATOM 433 N THR A 28 41.844 44.083 55.624 1.00 0.00 N ATOM 434 CA THR A 28 42.956 43.496 54.858 1.00 0.00 C ATOM 435 C THR A 28 43.452 44.409 53.671 1.00 0.00 C ATOM 436 O THR A 28 44.525 44.117 53.144 1.00 0.00 O ATOM 437 CB THR A 28 42.749 42.036 54.376 1.00 0.00 C ATOM 438 OG1 THR A 28 43.919 41.446 53.799 1.00 0.00 O ATOM 439 CG2 THR A 28 42.171 41.064 55.415 1.00 0.00 C ATOM 0 H THR A 28 42.137 44.480 56.517 1.00 0.00 H new ATOM 0 HA THR A 28 43.747 43.446 55.606 1.00 0.00 H new ATOM 0 HB THR A 28 41.991 42.173 53.605 1.00 0.00 H new ATOM 0 HG1 THR A 28 43.930 41.618 52.834 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.069 40.074 54.970 1.00 0.00 H new ATOM 0 HG22 THR A 28 42.840 41.009 56.273 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.193 41.418 55.740 1.00 0.00 H new ATOM 447 N PHE A 29 42.735 45.526 53.252 1.00 0.00 N ATOM 448 CA PHE A 29 43.058 46.420 52.106 1.00 0.00 C ATOM 449 C PHE A 29 42.375 45.885 50.815 1.00 0.00 C ATOM 450 O PHE A 29 41.736 46.664 50.107 1.00 0.00 O ATOM 451 CB PHE A 29 44.527 46.834 51.878 1.00 0.00 C ATOM 452 CG PHE A 29 44.713 47.723 50.661 1.00 0.00 C ATOM 453 CD1 PHE A 29 44.227 49.033 50.614 1.00 0.00 C ATOM 454 CD2 PHE A 29 45.420 47.247 49.552 1.00 0.00 C ATOM 455 CE1 PHE A 29 44.440 49.846 49.499 1.00 0.00 C ATOM 456 CE2 PHE A 29 45.646 48.046 48.432 1.00 0.00 C ATOM 457 CZ PHE A 29 45.157 49.357 48.401 1.00 0.00 C ATOM 0 H PHE A 29 41.887 45.821 53.736 1.00 0.00 H new ATOM 0 HA PHE A 29 42.637 47.381 52.402 1.00 0.00 H new ATOM 0 HB2 PHE A 29 44.892 47.357 52.762 1.00 0.00 H new ATOM 0 HB3 PHE A 29 45.137 45.938 51.763 1.00 0.00 H new ATOM 0 HD1 PHE A 29 43.676 49.424 51.457 1.00 0.00 H new ATOM 0 HD2 PHE A 29 45.800 46.236 49.564 1.00 0.00 H new ATOM 0 HE1 PHE A 29 44.051 50.853 49.484 1.00 0.00 H new ATOM 0 HE2 PHE A 29 46.197 47.654 47.590 1.00 0.00 H new ATOM 0 HZ PHE A 29 45.331 49.984 47.539 1.00 0.00 H new ATOM 467 N ASP A 30 42.467 44.535 50.538 1.00 0.00 N ATOM 468 CA ASP A 30 41.746 43.887 49.447 1.00 0.00 C ATOM 469 C ASP A 30 40.183 43.931 49.700 1.00 0.00 C ATOM 470 O ASP A 30 39.435 43.648 48.764 1.00 0.00 O ATOM 471 CB ASP A 30 42.299 42.485 49.100 1.00 0.00 C ATOM 472 CG ASP A 30 42.684 41.474 50.222 1.00 0.00 C ATOM 473 OD1 ASP A 30 43.244 41.941 51.219 1.00 0.00 O ATOM 474 OD2 ASP A 30 42.446 40.287 49.972 1.00 0.00 O ATOM 0 H ASP A 30 43.048 43.895 51.079 1.00 0.00 H new ATOM 0 HA ASP A 30 41.926 44.464 48.540 1.00 0.00 H new ATOM 0 HB2 ASP A 30 41.556 41.996 48.470 1.00 0.00 H new ATOM 0 HB3 ASP A 30 43.188 42.635 48.487 1.00 0.00 H new ATOM 479 N ASN A 31 39.660 44.344 50.927 1.00 0.00 N ATOM 480 CA ASN A 31 38.246 44.577 51.262 1.00 0.00 C ATOM 481 C ASN A 31 37.584 43.187 51.443 1.00 0.00 C ATOM 482 O ASN A 31 36.721 42.793 50.659 1.00 0.00 O ATOM 483 CB ASN A 31 37.485 45.523 50.318 1.00 0.00 C ATOM 484 CG ASN A 31 36.225 46.028 51.016 1.00 0.00 C ATOM 485 OD1 ASN A 31 36.261 46.764 51.986 1.00 0.00 O ATOM 486 ND2 ASN A 31 35.059 45.605 50.479 1.00 0.00 N ATOM 0 H ASN A 31 40.270 44.523 51.724 1.00 0.00 H new ATOM 0 HA ASN A 31 38.196 45.142 52.193 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.120 46.363 50.037 1.00 0.00 H new ATOM 0 HB3 ASN A 31 37.221 45.002 49.398 1.00 0.00 H new ATOM 0 HD21 ASN A 31 34.172 45.902 50.887 1.00 0.00 H new ATOM 0 HD22 ASN A 31 35.066 44.989 49.666 1.00 0.00 H new ATOM 493 N ILE A 32 37.968 42.463 52.568 1.00 0.00 N ATOM 494 CA ILE A 32 37.517 41.086 52.664 1.00 0.00 C ATOM 495 C ILE A 32 37.733 40.459 54.070 1.00 0.00 C ATOM 496 O ILE A 32 38.514 40.926 54.897 1.00 0.00 O ATOM 497 CB ILE A 32 38.264 40.172 51.649 1.00 0.00 C ATOM 498 CG1 ILE A 32 37.537 38.877 51.215 1.00 0.00 C ATOM 499 CG2 ILE A 32 39.684 39.829 52.157 1.00 0.00 C ATOM 500 CD1 ILE A 32 36.073 39.022 50.767 1.00 0.00 C ATOM 0 H ILE A 32 38.540 42.808 53.339 1.00 0.00 H new ATOM 0 HA ILE A 32 36.449 41.134 52.450 1.00 0.00 H new ATOM 0 HB ILE A 32 38.305 40.781 50.746 1.00 0.00 H new ATOM 0 HG12 ILE A 32 38.100 38.429 50.396 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.570 38.174 52.047 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.186 39.190 51.431 1.00 0.00 H new ATOM 0 HG22 ILE A 32 40.256 40.748 52.287 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.613 39.307 53.111 1.00 0.00 H new ATOM 0 HD11 ILE A 32 35.679 38.044 50.489 1.00 0.00 H new ATOM 0 HD12 ILE A 32 35.481 39.433 51.585 1.00 0.00 H new ATOM 0 HD13 ILE A 32 36.020 39.692 49.909 1.00 0.00 H new ATOM 512 N ILE A 33 37.017 39.295 54.280 1.00 0.00 N ATOM 513 CA ILE A 33 37.185 38.504 55.503 1.00 0.00 C ATOM 514 C ILE A 33 38.282 37.432 55.165 1.00 0.00 C ATOM 515 O ILE A 33 38.044 36.432 54.492 1.00 0.00 O ATOM 516 CB ILE A 33 35.888 37.916 56.071 1.00 0.00 C ATOM 517 CG1 ILE A 33 34.960 39.079 56.514 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.184 36.925 57.214 1.00 0.00 C ATOM 519 CD1 ILE A 33 33.531 38.745 56.962 1.00 0.00 C ATOM 0 H ILE A 33 36.340 38.914 53.619 1.00 0.00 H new ATOM 0 HA ILE A 33 37.503 39.143 56.327 1.00 0.00 H new ATOM 0 HB ILE A 33 35.372 37.342 55.302 1.00 0.00 H new ATOM 0 HG12 ILE A 33 35.451 39.601 57.335 1.00 0.00 H new ATOM 0 HG13 ILE A 33 34.891 39.783 55.685 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.247 36.523 57.599 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.801 36.109 56.838 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.713 37.441 58.015 1.00 0.00 H new ATOM 0 HD11 ILE A 33 33.013 39.663 57.239 1.00 0.00 H new ATOM 0 HD12 ILE A 33 32.998 38.260 56.145 1.00 0.00 H new ATOM 0 HD13 ILE A 33 33.566 38.075 57.821 1.00 0.00 H new ATOM 531 N ARG A 34 39.553 37.674 55.666 1.00 0.00 N ATOM 532 CA ARG A 34 40.659 36.702 55.540 1.00 0.00 C ATOM 533 C ARG A 34 41.282 36.709 56.964 1.00 0.00 C ATOM 534 O ARG A 34 41.745 37.721 57.486 1.00 0.00 O ATOM 535 CB ARG A 34 41.790 36.915 54.511 1.00 0.00 C ATOM 536 CG ARG A 34 41.412 36.563 53.061 1.00 0.00 C ATOM 537 CD ARG A 34 42.557 35.929 52.236 1.00 0.00 C ATOM 538 NE ARG A 34 43.724 36.749 51.855 1.00 0.00 N ATOM 539 CZ ARG A 34 44.107 37.823 52.514 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.869 37.700 53.572 1.00 0.00 N ATOM 541 NH2 ARG A 34 43.670 38.999 52.161 1.00 0.00 N ATOM 0 H ARG A 34 39.811 38.533 56.152 1.00 0.00 H new ATOM 0 HA ARG A 34 40.217 35.783 55.155 1.00 0.00 H new ATOM 0 HB2 ARG A 34 42.105 37.958 54.548 1.00 0.00 H new ATOM 0 HB3 ARG A 34 42.649 36.312 54.805 1.00 0.00 H new ATOM 0 HG2 ARG A 34 40.567 35.874 53.076 1.00 0.00 H new ATOM 0 HG3 ARG A 34 41.076 37.469 52.556 1.00 0.00 H new ATOM 0 HD2 ARG A 34 42.930 35.074 52.800 1.00 0.00 H new ATOM 0 HD3 ARG A 34 42.119 35.539 51.317 1.00 0.00 H new ATOM 0 HE ARG A 34 44.263 36.468 51.036 1.00 0.00 H new ATOM 0 HH11 ARG A 34 45.164 36.775 53.883 1.00 0.00 H new ATOM 0 HH12 ARG A 34 45.168 38.530 54.085 1.00 0.00 H new ATOM 0 HH21 ARG A 34 43.029 39.089 51.372 1.00 0.00 H new ATOM 0 HH22 ARG A 34 43.968 39.829 52.673 1.00 0.00 H new ATOM 555 N ARG A 35 41.282 35.483 57.607 1.00 0.00 N ATOM 556 CA ARG A 35 41.458 35.415 59.045 1.00 0.00 C ATOM 557 C ARG A 35 41.859 33.979 59.485 1.00 0.00 C ATOM 558 O ARG A 35 42.387 33.211 58.681 1.00 0.00 O ATOM 559 CB ARG A 35 40.177 35.991 59.696 1.00 0.00 C ATOM 560 CG ARG A 35 38.813 35.404 59.256 1.00 0.00 C ATOM 561 CD ARG A 35 38.514 33.939 59.598 1.00 0.00 C ATOM 562 NE ARG A 35 37.297 33.369 58.941 1.00 0.00 N ATOM 563 CZ ARG A 35 37.076 33.271 57.639 1.00 0.00 C ATOM 564 NH1 ARG A 35 38.044 33.367 56.769 1.00 0.00 N ATOM 565 NH2 ARG A 35 35.849 33.089 57.237 1.00 0.00 N ATOM 0 H ARG A 35 41.164 34.583 57.142 1.00 0.00 H new ATOM 0 HA ARG A 35 42.292 36.024 59.393 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.264 35.863 60.775 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.157 37.064 59.503 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.028 36.017 59.698 1.00 0.00 H new ATOM 0 HG3 ARG A 35 38.734 35.517 58.175 1.00 0.00 H new ATOM 0 HD2 ARG A 35 39.376 33.334 59.318 1.00 0.00 H new ATOM 0 HD3 ARG A 35 38.400 33.850 60.678 1.00 0.00 H new ATOM 0 HE ARG A 35 36.563 33.021 59.558 1.00 0.00 H new ATOM 0 HH11 ARG A 35 39.001 33.522 57.086 1.00 0.00 H new ATOM 0 HH12 ARG A 35 37.843 33.287 55.772 1.00 0.00 H new ATOM 0 HH21 ARG A 35 35.093 33.026 57.919 1.00 0.00 H new ATOM 0 HH22 ARG A 35 35.645 33.009 56.241 1.00 0.00 H new ATOM 579 N GLY A 36 41.669 33.657 60.822 1.00 0.00 N ATOM 580 CA GLY A 36 42.113 32.316 61.224 1.00 0.00 C ATOM 581 C GLY A 36 42.372 32.129 62.733 1.00 0.00 C ATOM 582 O GLY A 36 41.791 32.811 63.570 1.00 0.00 O ATOM 0 H GLY A 36 41.258 34.249 61.544 1.00 0.00 H new ATOM 0 HA2 GLY A 36 41.360 31.593 60.910 1.00 0.00 H new ATOM 0 HA3 GLY A 36 43.029 32.078 60.683 1.00 0.00 H new ATOM 586 N CYS A 37 43.249 31.108 63.060 1.00 0.00 N ATOM 587 CA CYS A 37 43.535 30.729 64.452 1.00 0.00 C ATOM 588 C CYS A 37 44.837 31.415 64.995 1.00 0.00 C ATOM 589 O CYS A 37 45.927 31.338 64.431 1.00 0.00 O ATOM 590 CB CYS A 37 43.642 29.191 64.620 1.00 0.00 C ATOM 591 SG CYS A 37 44.901 28.415 63.560 1.00 0.00 S ATOM 0 H CYS A 37 43.752 30.554 62.367 1.00 0.00 H new ATOM 0 HA CYS A 37 42.690 31.085 65.042 1.00 0.00 H new ATOM 0 HB2 CYS A 37 43.870 28.965 65.662 1.00 0.00 H new ATOM 0 HB3 CYS A 37 42.672 28.744 64.401 1.00 0.00 H new ATOM 596 N GLY A 38 44.675 32.164 66.158 1.00 0.00 N ATOM 597 CA GLY A 38 45.838 32.739 66.828 1.00 0.00 C ATOM 598 C GLY A 38 45.298 33.191 68.200 1.00 0.00 C ATOM 599 O GLY A 38 45.386 32.468 69.187 1.00 0.00 O ATOM 0 H GLY A 38 43.779 32.357 66.605 1.00 0.00 H new ATOM 0 HA2 GLY A 38 46.638 32.007 66.936 1.00 0.00 H new ATOM 0 HA3 GLY A 38 46.248 33.578 66.265 1.00 0.00 H new ATOM 603 N CYS A 39 44.717 34.454 68.238 1.00 0.00 N ATOM 604 CA CYS A 39 43.995 34.955 69.415 1.00 0.00 C ATOM 605 C CYS A 39 44.922 35.555 70.527 1.00 0.00 C ATOM 606 O CYS A 39 44.603 36.569 71.145 1.00 0.00 O ATOM 607 CB CYS A 39 42.841 35.866 68.962 1.00 0.00 C ATOM 608 SG CYS A 39 41.865 36.549 70.336 1.00 0.00 S ATOM 0 H CYS A 39 44.751 35.113 67.460 1.00 0.00 H new ATOM 0 HA CYS A 39 43.549 34.106 69.932 1.00 0.00 H new ATOM 0 HB2 CYS A 39 43.249 36.688 68.374 1.00 0.00 H new ATOM 0 HB3 CYS A 39 42.180 35.301 68.305 1.00 0.00 H new ATOM 613 N PHE A 40 46.083 34.854 70.814 1.00 0.00 N ATOM 614 CA PHE A 40 46.886 35.134 72.022 1.00 0.00 C ATOM 615 C PHE A 40 47.941 36.232 71.661 1.00 0.00 C ATOM 616 O PHE A 40 49.145 36.002 71.741 1.00 0.00 O ATOM 617 CB PHE A 40 47.470 33.807 72.565 1.00 0.00 C ATOM 618 CG PHE A 40 46.413 32.705 72.667 1.00 0.00 C ATOM 619 CD1 PHE A 40 45.128 32.959 73.169 1.00 0.00 C ATOM 620 CD2 PHE A 40 46.664 31.422 72.161 1.00 0.00 C ATOM 621 CE1 PHE A 40 44.125 31.995 73.136 1.00 0.00 C ATOM 622 CE2 PHE A 40 45.672 30.444 72.130 1.00 0.00 C ATOM 623 CZ PHE A 40 44.400 30.725 72.632 1.00 0.00 C ATOM 0 H PHE A 40 46.458 34.111 70.224 1.00 0.00 H new ATOM 0 HA PHE A 40 46.290 35.539 72.840 1.00 0.00 H new ATOM 0 HB2 PHE A 40 48.277 33.474 71.912 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.907 33.980 73.549 1.00 0.00 H new ATOM 0 HD1 PHE A 40 44.911 33.929 73.592 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.649 31.186 71.786 1.00 0.00 H new ATOM 0 HE1 PHE A 40 43.136 32.230 73.500 1.00 0.00 H new ATOM 0 HE2 PHE A 40 45.887 29.469 71.718 1.00 0.00 H new ATOM 0 HZ PHE A 40 43.634 29.963 72.630 1.00 0.00 H new ATOM 735 N GLY A 48 44.820 44.455 66.280 1.00 0.00 N ATOM 736 CA GLY A 48 44.308 43.160 66.760 1.00 0.00 C ATOM 737 C GLY A 48 42.813 42.971 66.266 1.00 0.00 C ATOM 738 O GLY A 48 41.989 43.876 66.387 1.00 0.00 O ATOM 0 HA2 GLY A 48 44.932 42.348 66.386 1.00 0.00 H new ATOM 0 HA3 GLY A 48 44.351 43.120 67.848 1.00 0.00 H new ATOM 742 N PRO A 49 42.474 41.742 65.718 1.00 0.00 N ATOM 743 CA PRO A 49 41.111 41.371 65.298 1.00 0.00 C ATOM 744 C PRO A 49 40.191 41.108 66.547 1.00 0.00 C ATOM 745 O PRO A 49 40.665 41.079 67.683 1.00 0.00 O ATOM 746 CB PRO A 49 41.342 40.033 64.570 1.00 0.00 C ATOM 747 CG PRO A 49 42.481 39.409 65.380 1.00 0.00 C ATOM 748 CD PRO A 49 43.393 40.613 65.579 1.00 0.00 C ATOM 0 HA PRO A 49 40.628 42.144 64.700 1.00 0.00 H new ATOM 0 HB2 PRO A 49 40.449 39.408 64.577 1.00 0.00 H new ATOM 0 HB3 PRO A 49 41.620 40.181 63.526 1.00 0.00 H new ATOM 0 HG2 PRO A 49 42.134 38.994 66.326 1.00 0.00 H new ATOM 0 HG3 PRO A 49 42.976 38.602 64.840 1.00 0.00 H new ATOM 0 HD2 PRO A 49 44.018 40.497 66.465 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.064 40.748 64.731 1.00 0.00 H new ATOM 756 N TYR A 50 38.837 40.893 66.306 1.00 0.00 N ATOM 757 CA TYR A 50 37.921 40.566 67.428 1.00 0.00 C ATOM 758 C TYR A 50 37.765 39.000 67.479 1.00 0.00 C ATOM 759 O TYR A 50 37.686 38.330 66.447 1.00 0.00 O ATOM 760 CB TYR A 50 36.511 41.265 67.452 1.00 0.00 C ATOM 761 CG TYR A 50 35.595 40.828 66.334 1.00 0.00 C ATOM 762 CD1 TYR A 50 34.756 39.723 66.473 1.00 0.00 C ATOM 763 CD2 TYR A 50 35.550 41.524 65.128 1.00 0.00 C ATOM 764 CE1 TYR A 50 33.921 39.303 65.448 1.00 0.00 C ATOM 765 CE2 TYR A 50 34.724 41.124 64.090 1.00 0.00 C ATOM 766 CZ TYR A 50 33.892 40.001 64.236 1.00 0.00 C ATOM 767 OH TYR A 50 33.089 39.633 63.192 1.00 0.00 O ATOM 0 H TYR A 50 38.396 40.942 65.388 1.00 0.00 H new ATOM 0 HA TYR A 50 38.396 40.981 68.317 1.00 0.00 H new ATOM 0 HB2 TYR A 50 36.029 41.056 68.407 1.00 0.00 H new ATOM 0 HB3 TYR A 50 36.650 42.345 67.394 1.00 0.00 H new ATOM 0 HD1 TYR A 50 34.756 39.178 67.406 1.00 0.00 H new ATOM 0 HD2 TYR A 50 36.174 42.396 64.999 1.00 0.00 H new ATOM 0 HE1 TYR A 50 33.292 38.436 65.586 1.00 0.00 H new ATOM 0 HE2 TYR A 50 34.720 41.679 63.163 1.00 0.00 H new ATOM 0 HH TYR A 50 33.221 40.252 62.444 1.00 0.00 H new ATOM 777 N CYS A 51 37.718 38.414 68.741 1.00 0.00 N ATOM 778 CA CYS A 51 37.856 36.953 68.889 1.00 0.00 C ATOM 779 C CYS A 51 36.707 36.182 69.618 1.00 0.00 C ATOM 780 O CYS A 51 35.862 36.734 70.314 1.00 0.00 O ATOM 781 CB CYS A 51 39.147 36.660 69.676 1.00 0.00 C ATOM 782 SG CYS A 51 40.595 37.572 69.073 1.00 0.00 S ATOM 0 H CYS A 51 37.591 38.926 69.614 1.00 0.00 H new ATOM 0 HA CYS A 51 37.844 36.592 67.860 1.00 0.00 H new ATOM 0 HB2 CYS A 51 38.985 36.906 70.725 1.00 0.00 H new ATOM 0 HB3 CYS A 51 39.356 35.591 69.628 1.00 0.00 H new ATOM 787 N CYS A 52 36.804 34.818 69.437 1.00 0.00 N ATOM 788 CA CYS A 52 35.917 33.801 69.990 1.00 0.00 C ATOM 789 C CYS A 52 36.744 32.593 70.558 1.00 0.00 C ATOM 790 O CYS A 52 37.893 32.380 70.172 1.00 0.00 O ATOM 791 CB CYS A 52 35.024 33.268 68.879 1.00 0.00 C ATOM 792 SG CYS A 52 33.481 32.511 69.461 1.00 0.00 S ATOM 0 H CYS A 52 37.547 34.410 68.871 1.00 0.00 H new ATOM 0 HA CYS A 52 35.330 34.253 70.790 1.00 0.00 H new ATOM 0 HB2 CYS A 52 34.781 34.086 68.200 1.00 0.00 H new ATOM 0 HB3 CYS A 52 35.582 32.530 68.302 1.00 0.00 H new ATOM 797 N GLU A 53 36.103 31.744 71.439 1.00 0.00 N ATOM 798 CA GLU A 53 36.758 30.528 71.969 1.00 0.00 C ATOM 799 C GLU A 53 35.851 29.276 71.712 1.00 0.00 C ATOM 800 O GLU A 53 35.808 28.334 72.503 1.00 0.00 O ATOM 801 CB GLU A 53 37.300 30.698 73.410 1.00 0.00 C ATOM 802 CG GLU A 53 36.346 31.177 74.531 1.00 0.00 C ATOM 803 CD GLU A 53 35.782 32.570 74.270 1.00 0.00 C ATOM 804 OE1 GLU A 53 34.663 32.805 73.849 1.00 0.00 O ATOM 805 OE2 GLU A 53 36.670 33.523 74.571 1.00 0.00 O ATOM 0 H GLU A 53 35.153 31.891 71.780 1.00 0.00 H new ATOM 0 HA GLU A 53 37.676 30.346 71.411 1.00 0.00 H new ATOM 0 HB2 GLU A 53 37.712 29.737 73.720 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.131 31.402 73.366 1.00 0.00 H new ATOM 0 HG2 GLU A 53 35.523 30.469 74.629 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.880 31.178 75.481 1.00 0.00 H new ATOM 813 N SER A 54 35.191 29.257 70.495 1.00 0.00 N ATOM 814 CA SER A 54 34.322 28.176 70.025 1.00 0.00 C ATOM 815 C SER A 54 34.649 27.810 68.531 1.00 0.00 C ATOM 816 O SER A 54 35.491 28.431 67.885 1.00 0.00 O ATOM 817 CB SER A 54 32.809 28.467 70.236 1.00 0.00 C ATOM 818 OG SER A 54 32.024 27.291 70.053 1.00 0.00 O ATOM 0 H SER A 54 35.269 30.020 69.823 1.00 0.00 H new ATOM 0 HA SER A 54 34.538 27.306 70.645 1.00 0.00 H new ATOM 0 HB2 SER A 54 32.649 28.861 71.240 1.00 0.00 H new ATOM 0 HB3 SER A 54 32.484 29.236 69.536 1.00 0.00 H new ATOM 0 HG SER A 54 31.078 27.504 70.194 1.00 0.00 H new ATOM 824 N ASP A 55 33.983 26.707 68.027 1.00 0.00 N ATOM 825 CA ASP A 55 34.237 26.189 66.678 1.00 0.00 C ATOM 826 C ASP A 55 33.570 27.194 65.655 1.00 0.00 C ATOM 827 O ASP A 55 32.366 27.438 65.694 1.00 0.00 O ATOM 828 CB ASP A 55 33.666 24.759 66.559 1.00 0.00 C ATOM 829 CG ASP A 55 34.176 23.949 65.348 1.00 0.00 C ATOM 830 OD1 ASP A 55 35.190 24.366 64.778 1.00 0.00 O ATOM 831 OD2 ASP A 55 33.499 22.957 65.058 1.00 0.00 O ATOM 0 H ASP A 55 33.280 26.184 68.549 1.00 0.00 H new ATOM 0 HA ASP A 55 35.303 26.120 66.462 1.00 0.00 H new ATOM 0 HB2 ASP A 55 33.907 24.211 67.470 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.579 24.822 66.503 1.00 0.00 H new ATOM 836 N LYS A 56 34.400 27.814 64.715 1.00 0.00 N ATOM 837 CA LYS A 56 34.006 28.773 63.680 1.00 0.00 C ATOM 838 C LYS A 56 33.639 30.161 64.309 1.00 0.00 C ATOM 839 O LYS A 56 34.297 31.168 64.049 1.00 0.00 O ATOM 840 CB LYS A 56 32.898 28.397 62.663 1.00 0.00 C ATOM 841 CG LYS A 56 33.128 27.091 61.881 1.00 0.00 C ATOM 842 CD LYS A 56 32.712 25.822 62.645 1.00 0.00 C ATOM 843 CE LYS A 56 32.989 24.497 61.900 1.00 0.00 C ATOM 844 NZ LYS A 56 33.915 23.600 62.731 1.00 0.00 N ATOM 0 H LYS A 56 35.402 27.623 64.691 1.00 0.00 H new ATOM 0 HA LYS A 56 34.914 28.789 63.077 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.951 28.318 63.197 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.793 29.214 61.949 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.572 27.138 60.945 1.00 0.00 H new ATOM 0 HG3 LYS A 56 34.184 27.016 61.621 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.236 25.802 63.600 1.00 0.00 H new ATOM 0 HD3 LYS A 56 31.647 25.882 62.867 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.050 23.979 61.704 1.00 0.00 H new ATOM 0 HE3 LYS A 56 33.446 24.705 60.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 34.400 22.926 62.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.620 24.187 63.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 33.353 23.077 63.433 1.00 0.00 H new ATOM 858 N CYS A 57 32.489 30.180 65.071 1.00 0.00 N ATOM 859 CA CYS A 57 31.799 31.344 65.617 1.00 0.00 C ATOM 860 C CYS A 57 31.385 32.193 64.363 1.00 0.00 C ATOM 861 O CYS A 57 31.785 33.348 64.237 1.00 0.00 O ATOM 862 CB CYS A 57 32.517 32.161 66.707 1.00 0.00 C ATOM 863 SG CYS A 57 33.238 31.099 67.986 1.00 0.00 S ATOM 0 H CYS A 57 32.013 29.313 65.319 1.00 0.00 H new ATOM 0 HA CYS A 57 30.947 30.999 66.203 1.00 0.00 H new ATOM 0 HB2 CYS A 57 33.302 32.763 66.250 1.00 0.00 H new ATOM 0 HB3 CYS A 57 31.811 32.853 67.166 1.00 0.00 H new ATOM 868 N ASN A 58 30.545 31.582 63.438 1.00 0.00 N ATOM 869 CA ASN A 58 30.052 32.207 62.205 1.00 0.00 C ATOM 870 C ASN A 58 31.291 32.443 61.269 1.00 0.00 C ATOM 871 O ASN A 58 31.945 33.483 61.280 1.00 0.00 O ATOM 872 CB ASN A 58 29.182 33.464 62.379 1.00 0.00 C ATOM 873 CG ASN A 58 28.683 33.918 61.008 1.00 0.00 C ATOM 874 OD1 ASN A 58 28.101 33.177 60.237 1.00 0.00 O ATOM 875 ND2 ASN A 58 28.917 35.217 60.720 1.00 0.00 N ATOM 0 H ASN A 58 30.205 30.628 63.560 1.00 0.00 H new ATOM 0 HA ASN A 58 29.340 31.518 61.750 1.00 0.00 H new ATOM 0 HB2 ASN A 58 28.338 33.250 63.035 1.00 0.00 H new ATOM 0 HB3 ASN A 58 29.759 34.259 62.852 1.00 0.00 H new ATOM 0 HD21 ASN A 58 28.603 35.607 59.831 1.00 0.00 H new ATOM 0 HD22 ASN A 58 29.408 35.808 61.391 1.00 0.00 H new ATOM 882 N LEU A 59 31.599 31.375 60.442 1.00 0.00 N ATOM 883 CA LEU A 59 32.642 31.304 59.397 1.00 0.00 C ATOM 884 C LEU A 59 34.073 31.689 60.001 1.00 0.00 C ATOM 885 O LEU A 59 34.579 32.758 59.646 1.00 0.00 O ATOM 886 CB LEU A 59 32.359 32.143 58.124 1.00 0.00 C ATOM 887 CG LEU A 59 31.031 32.100 57.324 1.00 0.00 C ATOM 888 CD1 LEU A 59 31.202 32.882 56.009 1.00 0.00 C ATOM 889 CD2 LEU A 59 30.506 30.694 56.994 1.00 0.00 C ATOM 890 OXT LEU A 59 34.557 30.905 60.821 1.00 0.00 O ATOM 0 H LEU A 59 31.081 30.499 60.510 1.00 0.00 H new ATOM 0 HA LEU A 59 32.634 30.265 59.067 1.00 0.00 H new ATOM 0 HB2 LEU A 59 32.507 33.185 58.409 1.00 0.00 H new ATOM 0 HB3 LEU A 59 33.148 31.892 57.415 1.00 0.00 H new ATOM 0 HG LEU A 59 30.287 32.551 57.981 1.00 0.00 H new ATOM 0 HD11 LEU A 59 30.270 32.853 55.445 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.459 33.917 56.232 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.998 32.430 55.418 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.574 30.776 56.434 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.244 30.161 56.395 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.326 30.146 57.919 1.00 0.00 H new