USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 384 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 HIS : no HD1:sc= 0.0818 K(o=1.2,f=-0.89) USER MOD Set 1.2: A 13 THR OG1 : rot -69:sc= 1.13 USER MOD Single : A 1 ARG N :NH3+ -139:sc= -0.15! (180deg=-4.78!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.0644 K(o=-0.064,f=-0.81) USER MOD Single : A 9 THR OG1 : rot 35:sc= 1.04 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 41:sc= 1.15 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 139:sc= 2.02 (180deg=0.0528!) USER MOD Single : A 25 ASN :FLIP amide:sc= -3.41! C(o=-5.2!,f=-3.4!) USER MOD Single : A 28 THR OG1 : rot -108:sc= 1.21 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 50 TYR OH : rot -44:sc= 0.493 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -152:sc= -0.515! (180deg=-4.71!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 40.843 25.069 66.746 1.00 0.00 N ATOM 2 CA ARG A 1 39.418 24.816 66.237 1.00 0.00 C ATOM 3 C ARG A 1 39.411 24.887 64.679 1.00 0.00 C ATOM 4 O ARG A 1 40.443 25.150 64.069 1.00 0.00 O ATOM 5 CB ARG A 1 38.363 25.823 66.800 1.00 0.00 C ATOM 6 CG ARG A 1 37.065 25.190 67.364 1.00 0.00 C ATOM 7 CD ARG A 1 37.298 24.233 68.547 1.00 0.00 C ATOM 8 NE ARG A 1 38.023 24.845 69.702 1.00 0.00 N ATOM 9 CZ ARG A 1 37.696 26.018 70.217 1.00 0.00 C ATOM 10 NH1 ARG A 1 36.455 26.306 70.508 1.00 0.00 N ATOM 11 NH2 ARG A 1 38.626 26.906 70.415 1.00 0.00 N ATOM 0 H1 ARG A 1 41.053 24.417 67.529 1.00 0.00 H new ATOM 0 H2 ARG A 1 41.521 24.911 65.973 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.923 26.050 67.081 1.00 0.00 H new ATOM 0 HA ARG A 1 39.129 23.827 66.592 1.00 0.00 H new ATOM 0 HB2 ARG A 1 38.833 26.409 67.590 1.00 0.00 H new ATOM 0 HB3 ARG A 1 38.091 26.518 66.006 1.00 0.00 H new ATOM 0 HG2 ARG A 1 36.393 25.987 67.682 1.00 0.00 H new ATOM 0 HG3 ARG A 1 36.561 24.647 66.565 1.00 0.00 H new ATOM 0 HD2 ARG A 1 36.334 23.862 68.894 1.00 0.00 H new ATOM 0 HD3 ARG A 1 37.863 23.370 68.195 1.00 0.00 H new ATOM 0 HE ARG A 1 38.805 24.335 70.111 1.00 0.00 H new ATOM 0 HH11 ARG A 1 35.719 25.620 70.338 1.00 0.00 H new ATOM 0 HH12 ARG A 1 36.222 27.216 70.905 1.00 0.00 H new ATOM 0 HH21 ARG A 1 39.594 26.693 70.174 1.00 0.00 H new ATOM 0 HH22 ARG A 1 38.387 27.815 70.812 1.00 0.00 H new ATOM 27 N ILE A 2 38.196 24.627 64.057 1.00 0.00 N ATOM 28 CA ILE A 2 38.029 24.715 62.595 1.00 0.00 C ATOM 29 C ILE A 2 37.521 26.165 62.287 1.00 0.00 C ATOM 30 O ILE A 2 36.443 26.597 62.697 1.00 0.00 O ATOM 31 CB ILE A 2 37.056 23.704 61.936 1.00 0.00 C ATOM 32 CG1 ILE A 2 37.482 22.251 62.267 1.00 0.00 C ATOM 33 CG2 ILE A 2 36.975 23.932 60.402 1.00 0.00 C ATOM 34 CD1 ILE A 2 36.547 21.135 61.782 1.00 0.00 C ATOM 0 H ILE A 2 37.349 24.362 64.559 1.00 0.00 H new ATOM 0 HA ILE A 2 39.000 24.468 62.166 1.00 0.00 H new ATOM 0 HB ILE A 2 36.059 23.866 62.345 1.00 0.00 H new ATOM 0 HG12 ILE A 2 38.469 22.079 61.838 1.00 0.00 H new ATOM 0 HG13 ILE A 2 37.585 22.164 63.349 1.00 0.00 H new ATOM 0 HG21 ILE A 2 36.286 23.210 59.963 1.00 0.00 H new ATOM 0 HG22 ILE A 2 36.618 24.942 60.203 1.00 0.00 H new ATOM 0 HG23 ILE A 2 37.964 23.803 59.962 1.00 0.00 H new ATOM 0 HD11 ILE A 2 36.954 20.167 62.074 1.00 0.00 H new ATOM 0 HD12 ILE A 2 35.562 21.265 62.230 1.00 0.00 H new ATOM 0 HD13 ILE A 2 36.460 21.179 60.696 1.00 0.00 H new ATOM 46 N CYS A 3 38.361 26.925 61.497 1.00 0.00 N ATOM 47 CA CYS A 3 38.018 28.255 60.991 1.00 0.00 C ATOM 48 C CYS A 3 38.442 28.344 59.482 1.00 0.00 C ATOM 49 O CYS A 3 39.274 27.557 59.033 1.00 0.00 O ATOM 50 CB CYS A 3 38.663 29.377 61.819 1.00 0.00 C ATOM 51 SG CYS A 3 38.339 29.102 63.596 1.00 0.00 S ATOM 0 H CYS A 3 39.287 26.608 61.209 1.00 0.00 H new ATOM 0 HA CYS A 3 36.941 28.397 61.080 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.737 29.404 61.636 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.263 30.343 61.513 1.00 0.00 H new ATOM 56 N TYR A 4 37.870 29.314 58.669 1.00 0.00 N ATOM 57 CA TYR A 4 38.101 29.233 57.210 1.00 0.00 C ATOM 58 C TYR A 4 39.263 30.192 56.778 1.00 0.00 C ATOM 59 O TYR A 4 39.293 31.347 57.198 1.00 0.00 O ATOM 60 CB TYR A 4 36.841 29.679 56.428 1.00 0.00 C ATOM 61 CG TYR A 4 35.510 29.381 57.099 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.213 28.208 57.794 1.00 0.00 C ATOM 63 CD2 TYR A 4 34.540 30.382 57.089 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.031 28.065 58.504 1.00 0.00 C ATOM 65 CE2 TYR A 4 33.353 30.254 57.781 1.00 0.00 C ATOM 66 CZ TYR A 4 33.083 29.102 58.519 1.00 0.00 C ATOM 67 OH TYR A 4 31.940 28.981 59.255 1.00 0.00 O ATOM 0 H TYR A 4 37.294 30.093 58.988 1.00 0.00 H new ATOM 0 HA TYR A 4 38.349 28.195 56.987 1.00 0.00 H new ATOM 0 HB2 TYR A 4 36.906 30.753 56.252 1.00 0.00 H new ATOM 0 HB3 TYR A 4 36.851 29.195 55.452 1.00 0.00 H new ATOM 0 HD1 TYR A 4 35.921 27.392 57.778 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.723 31.284 56.523 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.838 27.152 59.048 1.00 0.00 H new ATOM 0 HE2 TYR A 4 32.627 31.053 57.751 1.00 0.00 H new ATOM 0 HH TYR A 4 31.397 29.791 59.152 1.00 0.00 H new ATOM 77 N ASN A 5 40.212 29.729 55.873 1.00 0.00 N ATOM 78 CA ASN A 5 41.237 30.651 55.342 1.00 0.00 C ATOM 79 C ASN A 5 41.101 30.611 53.796 1.00 0.00 C ATOM 80 O ASN A 5 42.064 30.438 53.055 1.00 0.00 O ATOM 81 CB ASN A 5 42.654 30.390 55.865 1.00 0.00 C ATOM 82 CG ASN A 5 43.598 31.528 55.463 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.286 32.704 55.509 1.00 0.00 O ATOM 84 ND2 ASN A 5 44.828 31.135 55.069 1.00 0.00 N ATOM 0 H ASN A 5 40.268 28.771 55.527 1.00 0.00 H new ATOM 0 HA ASN A 5 41.060 31.663 55.706 1.00 0.00 H new ATOM 0 HB2 ASN A 5 42.634 30.294 56.951 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.025 29.445 55.468 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.524 31.831 54.800 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.061 30.142 55.040 1.00 0.00 H new ATOM 91 N HIS A 6 39.814 30.833 53.347 1.00 0.00 N ATOM 92 CA HIS A 6 39.383 30.982 51.966 1.00 0.00 C ATOM 93 C HIS A 6 39.519 32.481 51.502 1.00 0.00 C ATOM 94 O HIS A 6 40.081 33.311 52.212 1.00 0.00 O ATOM 95 CB HIS A 6 39.799 29.827 50.968 1.00 0.00 C ATOM 96 CG HIS A 6 41.069 29.987 50.196 1.00 0.00 C ATOM 97 ND1 HIS A 6 41.779 28.896 49.652 1.00 0.00 N ATOM 98 CD2 HIS A 6 41.802 31.068 49.805 1.00 0.00 C ATOM 99 CE1 HIS A 6 42.886 29.281 49.025 1.00 0.00 C ATOM 100 NE2 HIS A 6 42.904 30.619 49.099 1.00 0.00 N ATOM 0 H HIS A 6 39.033 30.912 53.999 1.00 0.00 H new ATOM 0 HA HIS A 6 38.312 30.784 51.926 1.00 0.00 H new ATOM 0 HB2 HIS A 6 39.871 28.902 51.540 1.00 0.00 H new ATOM 0 HB3 HIS A 6 38.988 29.697 50.252 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.563 32.101 50.012 1.00 0.00 H new ATOM 0 HE1 HIS A 6 43.621 28.646 48.553 1.00 0.00 H new ATOM 0 HE2 HIS A 6 43.624 31.218 48.695 1.00 0.00 H new ATOM 109 N LEU A 7 38.889 32.833 50.325 1.00 0.00 N ATOM 110 CA LEU A 7 38.728 34.202 49.855 1.00 0.00 C ATOM 111 C LEU A 7 40.022 34.859 49.263 1.00 0.00 C ATOM 112 O LEU A 7 41.023 34.201 48.995 1.00 0.00 O ATOM 113 CB LEU A 7 37.908 35.093 50.814 1.00 0.00 C ATOM 114 CG LEU A 7 36.459 34.625 51.104 1.00 0.00 C ATOM 115 CD1 LEU A 7 36.356 33.666 52.299 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.566 35.852 51.353 1.00 0.00 C ATOM 0 H LEU A 7 38.485 32.143 49.692 1.00 0.00 H new ATOM 0 HA LEU A 7 38.095 34.115 48.972 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.443 35.162 51.761 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.867 36.099 50.397 1.00 0.00 H new ATOM 0 HG LEU A 7 36.125 34.071 50.227 1.00 0.00 H new ATOM 0 HD11 LEU A 7 35.315 33.378 52.446 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.954 32.776 52.104 1.00 0.00 H new ATOM 0 HD13 LEU A 7 36.725 34.162 53.197 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.547 35.525 51.557 1.00 0.00 H new ATOM 0 HD22 LEU A 7 35.946 36.411 52.208 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.572 36.491 50.470 1.00 0.00 H new ATOM 128 N GLY A 8 39.883 36.192 48.905 1.00 0.00 N ATOM 129 CA GLY A 8 40.840 36.860 48.015 1.00 0.00 C ATOM 130 C GLY A 8 40.301 36.801 46.566 1.00 0.00 C ATOM 131 O GLY A 8 40.427 37.758 45.809 1.00 0.00 O ATOM 0 H GLY A 8 39.122 36.790 49.228 1.00 0.00 H new ATOM 0 HA2 GLY A 8 40.981 37.896 48.323 1.00 0.00 H new ATOM 0 HA3 GLY A 8 41.814 36.374 48.075 1.00 0.00 H new ATOM 135 N THR A 9 39.733 35.594 46.191 1.00 0.00 N ATOM 136 CA THR A 9 39.235 35.262 44.864 1.00 0.00 C ATOM 137 C THR A 9 38.600 33.839 44.961 1.00 0.00 C ATOM 138 O THR A 9 37.525 33.608 44.412 1.00 0.00 O ATOM 139 CB THR A 9 40.318 35.258 43.738 1.00 0.00 C ATOM 140 OG1 THR A 9 40.666 36.582 43.319 1.00 0.00 O ATOM 141 CG2 THR A 9 39.932 34.535 42.441 1.00 0.00 C ATOM 0 H THR A 9 39.622 34.825 46.851 1.00 0.00 H new ATOM 0 HA THR A 9 38.524 36.037 44.578 1.00 0.00 H new ATOM 0 HB THR A 9 41.136 34.726 44.224 1.00 0.00 H new ATOM 0 HG1 THR A 9 40.639 37.187 44.090 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.757 34.595 41.731 1.00 0.00 H new ATOM 0 HG22 THR A 9 39.716 33.489 42.658 1.00 0.00 H new ATOM 0 HG23 THR A 9 39.048 35.006 42.011 1.00 0.00 H new ATOM 149 N LYS A 10 39.279 32.882 45.704 1.00 0.00 N ATOM 150 CA LYS A 10 38.865 31.453 45.785 1.00 0.00 C ATOM 151 C LYS A 10 38.340 31.131 47.254 1.00 0.00 C ATOM 152 O LYS A 10 39.176 30.991 48.138 1.00 0.00 O ATOM 153 CB LYS A 10 40.063 30.512 45.482 1.00 0.00 C ATOM 154 CG LYS A 10 40.533 30.470 44.007 1.00 0.00 C ATOM 155 CD LYS A 10 41.733 29.522 43.770 1.00 0.00 C ATOM 156 CE LYS A 10 42.227 29.553 42.308 1.00 0.00 C ATOM 157 NZ LYS A 10 42.927 28.258 41.869 1.00 0.00 N ATOM 0 H LYS A 10 40.114 33.094 46.249 1.00 0.00 H new ATOM 0 HA LYS A 10 38.078 31.288 45.049 1.00 0.00 H new ATOM 0 HB2 LYS A 10 40.905 30.816 46.103 1.00 0.00 H new ATOM 0 HB3 LYS A 10 39.792 29.501 45.786 1.00 0.00 H new ATOM 0 HG2 LYS A 10 39.701 30.155 43.377 1.00 0.00 H new ATOM 0 HG3 LYS A 10 40.807 31.477 43.692 1.00 0.00 H new ATOM 0 HD2 LYS A 10 42.551 29.803 44.433 1.00 0.00 H new ATOM 0 HD3 LYS A 10 41.446 28.504 44.032 1.00 0.00 H new ATOM 0 HE2 LYS A 10 41.378 29.738 41.650 1.00 0.00 H new ATOM 0 HE3 LYS A 10 42.915 30.389 42.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 43.233 28.347 40.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 43.756 28.089 42.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 42.267 27.459 41.957 1.00 0.00 H new ATOM 171 N PRO A 11 36.978 30.882 47.525 1.00 0.00 N ATOM 172 CA PRO A 11 36.499 30.567 48.909 1.00 0.00 C ATOM 173 C PRO A 11 36.562 29.082 49.511 1.00 0.00 C ATOM 174 O PRO A 11 36.176 28.996 50.679 1.00 0.00 O ATOM 175 CB PRO A 11 35.061 31.156 49.011 1.00 0.00 C ATOM 176 CG PRO A 11 34.636 31.357 47.550 1.00 0.00 C ATOM 177 CD PRO A 11 35.958 31.703 46.866 1.00 0.00 C ATOM 0 HA PRO A 11 37.253 31.018 49.554 1.00 0.00 H new ATOM 0 HB2 PRO A 11 34.387 30.476 49.532 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.053 32.097 49.562 1.00 0.00 H new ATOM 0 HG2 PRO A 11 34.186 30.457 47.131 1.00 0.00 H new ATOM 0 HG3 PRO A 11 33.904 32.158 47.447 1.00 0.00 H new ATOM 0 HD2 PRO A 11 35.913 31.488 45.798 1.00 0.00 H new ATOM 0 HD3 PRO A 11 36.185 32.764 46.968 1.00 0.00 H new ATOM 185 N PRO A 12 37.179 27.977 48.904 1.00 0.00 N ATOM 186 CA PRO A 12 37.056 26.639 49.551 1.00 0.00 C ATOM 187 C PRO A 12 37.992 26.080 50.685 1.00 0.00 C ATOM 188 O PRO A 12 37.510 25.162 51.354 1.00 0.00 O ATOM 189 CB PRO A 12 37.261 25.650 48.386 1.00 0.00 C ATOM 190 CG PRO A 12 36.588 26.369 47.220 1.00 0.00 C ATOM 191 CD PRO A 12 37.039 27.811 47.454 1.00 0.00 C ATOM 0 HA PRO A 12 36.118 26.754 50.093 1.00 0.00 H new ATOM 0 HB2 PRO A 12 38.317 25.464 48.193 1.00 0.00 H new ATOM 0 HB3 PRO A 12 36.799 24.684 48.588 1.00 0.00 H new ATOM 0 HG2 PRO A 12 36.920 25.986 46.255 1.00 0.00 H new ATOM 0 HG3 PRO A 12 35.503 26.269 47.247 1.00 0.00 H new ATOM 0 HD2 PRO A 12 37.984 28.008 46.949 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.310 28.515 47.052 1.00 0.00 H new ATOM 199 N THR A 13 39.306 26.494 50.916 1.00 0.00 N ATOM 200 CA THR A 13 40.086 25.795 51.964 1.00 0.00 C ATOM 201 C THR A 13 39.727 26.261 53.412 1.00 0.00 C ATOM 202 O THR A 13 39.567 27.432 53.753 1.00 0.00 O ATOM 203 CB THR A 13 41.638 25.810 51.865 1.00 0.00 C ATOM 204 OG1 THR A 13 42.257 27.093 51.928 1.00 0.00 O ATOM 205 CG2 THR A 13 42.167 25.082 50.620 1.00 0.00 C ATOM 0 H THR A 13 39.789 27.245 50.424 1.00 0.00 H new ATOM 0 HA THR A 13 39.769 24.772 51.760 1.00 0.00 H new ATOM 0 HB THR A 13 41.921 25.273 52.771 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.045 27.599 51.116 1.00 0.00 H new ATOM 0 HG21 THR A 13 43.256 25.127 50.607 1.00 0.00 H new ATOM 0 HG22 THR A 13 41.847 24.040 50.644 1.00 0.00 H new ATOM 0 HG23 THR A 13 41.774 25.561 49.724 1.00 0.00 H new ATOM 213 N THR A 14 39.728 25.217 54.311 1.00 0.00 N ATOM 214 CA THR A 14 39.379 25.307 55.728 1.00 0.00 C ATOM 215 C THR A 14 40.554 24.752 56.579 1.00 0.00 C ATOM 216 O THR A 14 41.280 23.833 56.206 1.00 0.00 O ATOM 217 CB THR A 14 38.056 24.595 56.003 1.00 0.00 C ATOM 218 OG1 THR A 14 38.029 23.206 55.661 1.00 0.00 O ATOM 219 CG2 THR A 14 36.936 25.296 55.201 1.00 0.00 C ATOM 0 H THR A 14 39.984 24.270 54.033 1.00 0.00 H new ATOM 0 HA THR A 14 39.227 26.348 56.012 1.00 0.00 H new ATOM 0 HB THR A 14 37.915 24.654 57.082 1.00 0.00 H new ATOM 0 HG1 THR A 14 37.147 22.834 55.872 1.00 0.00 H new ATOM 0 HG21 THR A 14 35.986 24.796 55.389 1.00 0.00 H new ATOM 0 HG22 THR A 14 36.865 26.339 55.510 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.166 25.248 54.137 1.00 0.00 H new ATOM 227 N GLU A 15 40.700 25.378 57.799 1.00 0.00 N ATOM 228 CA GLU A 15 41.936 25.272 58.592 1.00 0.00 C ATOM 229 C GLU A 15 41.570 24.598 59.951 1.00 0.00 C ATOM 230 O GLU A 15 41.067 25.218 60.885 1.00 0.00 O ATOM 231 CB GLU A 15 42.545 26.675 58.735 1.00 0.00 C ATOM 232 CG GLU A 15 43.921 26.744 59.410 1.00 0.00 C ATOM 233 CD GLU A 15 44.350 28.203 59.455 1.00 0.00 C ATOM 234 OE1 GLU A 15 43.820 29.072 60.134 1.00 0.00 O ATOM 235 OE2 GLU A 15 45.384 28.446 58.658 1.00 0.00 O ATOM 0 H GLU A 15 39.974 25.949 58.232 1.00 0.00 H new ATOM 0 HA GLU A 15 42.695 24.652 58.115 1.00 0.00 H new ATOM 0 HB2 GLU A 15 42.627 27.117 57.742 1.00 0.00 H new ATOM 0 HB3 GLU A 15 41.852 27.294 59.304 1.00 0.00 H new ATOM 0 HG2 GLU A 15 43.873 26.330 60.417 1.00 0.00 H new ATOM 0 HG3 GLU A 15 44.648 26.150 58.856 1.00 0.00 H new ATOM 243 N THR A 16 41.852 23.242 60.034 1.00 0.00 N ATOM 244 CA THR A 16 41.599 22.420 61.237 1.00 0.00 C ATOM 245 C THR A 16 42.911 22.597 62.069 1.00 0.00 C ATOM 246 O THR A 16 43.895 21.884 61.877 1.00 0.00 O ATOM 247 CB THR A 16 41.298 20.940 60.869 1.00 0.00 C ATOM 248 OG1 THR A 16 40.137 20.805 60.039 1.00 0.00 O ATOM 249 CG2 THR A 16 41.030 20.023 62.069 1.00 0.00 C ATOM 0 H THR A 16 42.258 22.714 59.262 1.00 0.00 H new ATOM 0 HA THR A 16 40.716 22.726 61.797 1.00 0.00 H new ATOM 0 HB THR A 16 42.213 20.639 60.360 1.00 0.00 H new ATOM 0 HG1 THR A 16 39.990 19.858 59.834 1.00 0.00 H new ATOM 0 HG21 THR A 16 40.830 19.011 61.716 1.00 0.00 H new ATOM 0 HG22 THR A 16 41.903 20.014 62.722 1.00 0.00 H new ATOM 0 HG23 THR A 16 40.167 20.391 62.623 1.00 0.00 H new ATOM 257 N CYS A 17 42.905 23.594 63.038 1.00 0.00 N ATOM 258 CA CYS A 17 44.155 24.031 63.697 1.00 0.00 C ATOM 259 C CYS A 17 44.162 23.787 65.237 1.00 0.00 C ATOM 260 O CYS A 17 43.147 23.823 65.932 1.00 0.00 O ATOM 261 CB CYS A 17 44.345 25.517 63.430 1.00 0.00 C ATOM 262 SG CYS A 17 45.949 26.250 63.854 1.00 0.00 S ATOM 0 H CYS A 17 42.066 24.080 63.354 1.00 0.00 H new ATOM 0 HA CYS A 17 44.968 23.435 63.281 1.00 0.00 H new ATOM 0 HB2 CYS A 17 44.165 25.693 62.369 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.573 26.058 63.978 1.00 0.00 H new ATOM 267 N GLN A 18 45.438 23.606 65.732 1.00 0.00 N ATOM 268 CA GLN A 18 45.771 23.278 67.118 1.00 0.00 C ATOM 269 C GLN A 18 45.920 24.537 68.016 1.00 0.00 C ATOM 270 O GLN A 18 45.829 24.386 69.236 1.00 0.00 O ATOM 271 CB GLN A 18 47.008 22.355 67.238 1.00 0.00 C ATOM 272 CG GLN A 18 48.342 22.900 66.680 1.00 0.00 C ATOM 273 CD GLN A 18 49.482 21.938 67.029 1.00 0.00 C ATOM 274 OE1 GLN A 18 49.946 21.844 68.151 1.00 0.00 O ATOM 275 NE2 GLN A 18 49.953 21.204 65.994 1.00 0.00 N ATOM 0 H GLN A 18 46.264 23.693 65.140 1.00 0.00 H new ATOM 0 HA GLN A 18 44.915 22.716 67.492 1.00 0.00 H new ATOM 0 HB2 GLN A 18 47.153 22.117 68.292 1.00 0.00 H new ATOM 0 HB3 GLN A 18 46.784 21.419 66.727 1.00 0.00 H new ATOM 0 HG2 GLN A 18 48.273 23.019 65.599 1.00 0.00 H new ATOM 0 HG3 GLN A 18 48.545 23.886 67.097 1.00 0.00 H new ATOM 0 HE21 GLN A 18 49.541 21.307 65.066 1.00 0.00 H new ATOM 0 HE22 GLN A 18 50.720 20.547 66.142 1.00 0.00 H new ATOM 284 N GLU A 19 46.167 25.795 67.461 1.00 0.00 N ATOM 285 CA GLU A 19 46.023 26.964 68.341 1.00 0.00 C ATOM 286 C GLU A 19 44.497 27.014 68.719 1.00 0.00 C ATOM 287 O GLU A 19 43.621 26.879 67.866 1.00 0.00 O ATOM 288 CB GLU A 19 46.416 28.328 67.737 1.00 0.00 C ATOM 289 CG GLU A 19 47.857 28.439 67.202 1.00 0.00 C ATOM 290 CD GLU A 19 48.840 28.094 68.315 1.00 0.00 C ATOM 291 OE1 GLU A 19 49.078 28.785 69.286 1.00 0.00 O ATOM 292 OE2 GLU A 19 49.424 26.914 68.106 1.00 0.00 O ATOM 0 H GLU A 19 46.440 25.984 66.496 1.00 0.00 H new ATOM 0 HA GLU A 19 46.711 26.829 69.176 1.00 0.00 H new ATOM 0 HB2 GLU A 19 45.728 28.554 66.922 1.00 0.00 H new ATOM 0 HB3 GLU A 19 46.272 29.095 68.498 1.00 0.00 H new ATOM 0 HG2 GLU A 19 47.996 27.764 66.357 1.00 0.00 H new ATOM 0 HG3 GLU A 19 48.044 29.449 66.837 1.00 0.00 H new ATOM 300 N ASP A 20 44.209 27.260 70.052 1.00 0.00 N ATOM 301 CA ASP A 20 42.887 27.226 70.693 1.00 0.00 C ATOM 302 C ASP A 20 41.995 28.510 70.486 1.00 0.00 C ATOM 303 O ASP A 20 40.950 28.634 71.132 1.00 0.00 O ATOM 304 CB ASP A 20 42.101 25.900 70.645 1.00 0.00 C ATOM 305 CG ASP A 20 41.273 25.598 69.382 1.00 0.00 C ATOM 306 OD1 ASP A 20 40.880 26.569 68.729 1.00 0.00 O ATOM 307 OD2 ASP A 20 41.008 24.409 69.174 1.00 0.00 O ATOM 0 H ASP A 20 44.946 27.496 70.716 1.00 0.00 H new ATOM 0 HA ASP A 20 43.194 27.265 71.738 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.812 25.085 70.782 1.00 0.00 H new ATOM 0 HB3 ASP A 20 41.425 25.881 71.500 1.00 0.00 H new ATOM 312 N SER A 21 42.435 29.517 69.654 1.00 0.00 N ATOM 313 CA SER A 21 41.713 30.766 69.437 1.00 0.00 C ATOM 314 C SER A 21 41.956 31.092 67.942 1.00 0.00 C ATOM 315 O SER A 21 43.080 31.088 67.428 1.00 0.00 O ATOM 316 CB SER A 21 42.128 32.020 70.251 1.00 0.00 C ATOM 317 OG SER A 21 41.544 33.250 69.821 1.00 0.00 O ATOM 0 H SER A 21 43.306 29.457 69.127 1.00 0.00 H new ATOM 0 HA SER A 21 40.688 30.585 69.762 1.00 0.00 H new ATOM 0 HB2 SER A 21 41.864 31.858 71.296 1.00 0.00 H new ATOM 0 HB3 SER A 21 43.213 32.118 70.208 1.00 0.00 H new ATOM 0 HG SER A 21 40.602 33.103 69.593 1.00 0.00 H new ATOM 323 N CYS A 22 40.822 31.395 67.221 1.00 0.00 N ATOM 324 CA CYS A 22 40.932 31.838 65.848 1.00 0.00 C ATOM 325 C CYS A 22 40.180 33.174 65.709 1.00 0.00 C ATOM 326 O CYS A 22 39.134 33.439 66.299 1.00 0.00 O ATOM 327 CB CYS A 22 40.478 30.789 64.815 1.00 0.00 C ATOM 328 SG CYS A 22 38.721 30.961 64.375 1.00 0.00 S ATOM 0 H CYS A 22 39.870 31.333 67.582 1.00 0.00 H new ATOM 0 HA CYS A 22 41.987 31.984 65.617 1.00 0.00 H new ATOM 0 HB2 CYS A 22 41.086 30.883 63.915 1.00 0.00 H new ATOM 0 HB3 CYS A 22 40.653 29.790 65.215 1.00 0.00 H new ATOM 333 N TYR A 23 40.781 34.046 64.841 1.00 0.00 N ATOM 334 CA TYR A 23 40.369 35.438 64.773 1.00 0.00 C ATOM 335 C TYR A 23 39.778 35.827 63.409 1.00 0.00 C ATOM 336 O TYR A 23 39.906 35.128 62.404 1.00 0.00 O ATOM 337 CB TYR A 23 41.634 36.303 65.084 1.00 0.00 C ATOM 338 CG TYR A 23 42.769 36.054 64.115 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.679 36.434 62.780 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.944 35.431 64.526 1.00 0.00 C ATOM 341 CE1 TYR A 23 43.716 36.239 61.884 1.00 0.00 C ATOM 342 CE2 TYR A 23 45.016 35.284 63.661 1.00 0.00 C ATOM 343 CZ TYR A 23 44.920 35.690 62.319 1.00 0.00 C ATOM 344 OH TYR A 23 45.993 35.521 61.500 1.00 0.00 O ATOM 0 H TYR A 23 41.534 33.793 64.202 1.00 0.00 H new ATOM 0 HA TYR A 23 39.572 35.609 65.496 1.00 0.00 H new ATOM 0 HB2 TYR A 23 41.363 37.358 65.055 1.00 0.00 H new ATOM 0 HB3 TYR A 23 41.974 36.089 66.097 1.00 0.00 H new ATOM 0 HD1 TYR A 23 41.768 36.897 62.430 1.00 0.00 H new ATOM 0 HD2 TYR A 23 44.021 35.056 65.536 1.00 0.00 H new ATOM 0 HE1 TYR A 23 43.591 36.513 60.847 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.937 34.852 64.023 1.00 0.00 H new ATOM 0 HH TYR A 23 46.731 35.122 62.006 1.00 0.00 H new ATOM 354 N LYS A 24 39.120 37.036 63.464 1.00 0.00 N ATOM 355 CA LYS A 24 38.484 37.699 62.326 1.00 0.00 C ATOM 356 C LYS A 24 39.533 38.803 61.901 1.00 0.00 C ATOM 357 O LYS A 24 39.837 39.752 62.623 1.00 0.00 O ATOM 358 CB LYS A 24 37.094 38.292 62.686 1.00 0.00 C ATOM 359 CG LYS A 24 35.994 38.325 61.593 1.00 0.00 C ATOM 360 CD LYS A 24 35.238 37.006 61.263 1.00 0.00 C ATOM 361 CE LYS A 24 34.438 36.388 62.429 1.00 0.00 C ATOM 362 NZ LYS A 24 33.288 35.476 61.950 1.00 0.00 N ATOM 0 H LYS A 24 39.030 37.566 64.331 1.00 0.00 H new ATOM 0 HA LYS A 24 38.260 37.010 61.511 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.703 37.727 63.532 1.00 0.00 H new ATOM 0 HB3 LYS A 24 37.250 39.315 63.030 1.00 0.00 H new ATOM 0 HG2 LYS A 24 35.253 39.067 61.890 1.00 0.00 H new ATOM 0 HG3 LYS A 24 36.452 38.684 60.672 1.00 0.00 H new ATOM 0 HD2 LYS A 24 34.553 37.197 60.437 1.00 0.00 H new ATOM 0 HD3 LYS A 24 35.962 36.271 60.913 1.00 0.00 H new ATOM 0 HE2 LYS A 24 35.113 35.811 63.061 1.00 0.00 H new ATOM 0 HE3 LYS A 24 34.028 37.188 63.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.244 34.629 62.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.387 35.992 62.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.458 35.192 60.964 1.00 0.00 H new ATOM 376 N ASN A 25 40.092 38.646 60.647 1.00 0.00 N ATOM 377 CA ASN A 25 41.085 39.543 60.020 1.00 0.00 C ATOM 378 C ASN A 25 40.284 40.097 58.786 1.00 0.00 C ATOM 379 O ASN A 25 39.867 39.356 57.893 1.00 0.00 O ATOM 380 CB ASN A 25 42.346 38.789 59.622 1.00 0.00 C ATOM 381 CG ASN A 25 43.285 39.617 58.774 1.00 0.00 C ATOM 382 OD1 ASN A 25 42.847 39.843 57.522 1.00 0.00 O flip ATOM 383 ND2 ASN A 25 44.345 40.054 59.178 1.00 0.00 N flip ATOM 0 H ASN A 25 39.843 37.862 60.044 1.00 0.00 H new ATOM 0 HA ASN A 25 41.456 40.332 60.674 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.868 38.465 60.522 1.00 0.00 H new ATOM 0 HB3 ASN A 25 42.067 37.889 59.073 1.00 0.00 H new ATOM 0 HD21 ASN A 25 44.645 39.862 60.134 1.00 0.00 H new ATOM 0 HD22 ASN A 25 44.935 40.613 58.561 1.00 0.00 H new ATOM 390 N ILE A 26 40.108 41.482 58.773 1.00 0.00 N ATOM 391 CA ILE A 26 38.929 42.098 58.110 1.00 0.00 C ATOM 392 C ILE A 26 39.239 43.243 57.086 1.00 0.00 C ATOM 393 O ILE A 26 38.438 43.551 56.208 1.00 0.00 O ATOM 394 CB ILE A 26 37.986 42.610 59.236 1.00 0.00 C ATOM 395 CG1 ILE A 26 38.278 44.007 59.869 1.00 0.00 C ATOM 396 CG2 ILE A 26 37.779 41.555 60.366 1.00 0.00 C ATOM 397 CD1 ILE A 26 39.505 44.216 60.780 1.00 0.00 C ATOM 0 H ILE A 26 40.752 42.147 59.202 1.00 0.00 H new ATOM 0 HA ILE A 26 38.469 41.327 57.493 1.00 0.00 H new ATOM 0 HB ILE A 26 37.067 42.764 58.671 1.00 0.00 H new ATOM 0 HG12 ILE A 26 38.362 44.720 59.049 1.00 0.00 H new ATOM 0 HG13 ILE A 26 37.398 44.288 60.447 1.00 0.00 H new ATOM 0 HG21 ILE A 26 37.113 41.962 61.127 1.00 0.00 H new ATOM 0 HG22 ILE A 26 37.338 40.652 59.944 1.00 0.00 H new ATOM 0 HG23 ILE A 26 38.741 41.313 60.818 1.00 0.00 H new ATOM 0 HD11 ILE A 26 39.534 45.251 61.120 1.00 0.00 H new ATOM 0 HD12 ILE A 26 39.435 43.553 61.642 1.00 0.00 H new ATOM 0 HD13 ILE A 26 40.414 43.992 60.223 1.00 0.00 H new ATOM 409 N TRP A 27 40.433 43.895 57.284 1.00 0.00 N ATOM 410 CA TRP A 27 41.163 44.895 56.509 1.00 0.00 C ATOM 411 C TRP A 27 41.773 44.143 55.245 1.00 0.00 C ATOM 412 O TRP A 27 41.045 43.727 54.349 1.00 0.00 O ATOM 413 CB TRP A 27 42.263 45.549 57.438 1.00 0.00 C ATOM 414 CG TRP A 27 42.797 44.600 58.486 1.00 0.00 C ATOM 415 CD1 TRP A 27 42.854 43.189 58.352 1.00 0.00 C ATOM 416 CD2 TRP A 27 43.115 44.815 59.824 1.00 0.00 C ATOM 417 NE1 TRP A 27 43.040 42.550 59.536 1.00 0.00 N ATOM 418 CE2 TRP A 27 43.245 43.570 60.445 1.00 0.00 C ATOM 419 CE3 TRP A 27 43.210 45.968 60.642 1.00 0.00 C ATOM 420 CZ2 TRP A 27 43.458 43.371 61.766 1.00 0.00 C ATOM 421 CZ3 TRP A 27 43.455 45.807 61.998 1.00 0.00 C ATOM 422 CH2 TRP A 27 43.581 44.518 62.559 1.00 0.00 C ATOM 0 H TRP A 27 40.964 43.678 58.128 1.00 0.00 H new ATOM 0 HA TRP A 27 40.530 45.708 56.154 1.00 0.00 H new ATOM 0 HB2 TRP A 27 43.089 45.900 56.820 1.00 0.00 H new ATOM 0 HB3 TRP A 27 41.840 46.424 57.931 1.00 0.00 H new ATOM 0 HD1 TRP A 27 42.759 42.676 57.406 1.00 0.00 H new ATOM 0 HE1 TRP A 27 43.030 41.546 59.714 1.00 0.00 H new ATOM 0 HE3 TRP A 27 43.094 46.954 60.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 43.529 42.379 62.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 43.550 46.677 62.631 1.00 0.00 H new ATOM 0 HH2 TRP A 27 43.775 44.415 63.616 1.00 0.00 H new ATOM 433 N THR A 28 43.158 43.974 55.184 1.00 0.00 N ATOM 434 CA THR A 28 43.892 43.380 54.050 1.00 0.00 C ATOM 435 C THR A 28 43.959 44.416 52.865 1.00 0.00 C ATOM 436 O THR A 28 43.088 45.271 52.709 1.00 0.00 O ATOM 437 CB THR A 28 43.426 42.002 53.495 1.00 0.00 C ATOM 438 OG1 THR A 28 44.396 41.387 52.649 1.00 0.00 O ATOM 439 CG2 THR A 28 42.948 40.970 54.527 1.00 0.00 C ATOM 0 H THR A 28 43.773 44.260 55.945 1.00 0.00 H new ATOM 0 HA THR A 28 44.864 43.154 54.488 1.00 0.00 H new ATOM 0 HB THR A 28 42.545 42.290 52.921 1.00 0.00 H new ATOM 0 HG1 THR A 28 44.090 41.424 51.719 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.651 40.054 54.015 1.00 0.00 H new ATOM 0 HG22 THR A 28 43.757 40.750 55.224 1.00 0.00 H new ATOM 0 HG23 THR A 28 42.096 41.372 55.076 1.00 0.00 H new ATOM 447 N PHE A 29 45.049 44.330 52.003 1.00 0.00 N ATOM 448 CA PHE A 29 45.137 45.260 50.866 1.00 0.00 C ATOM 449 C PHE A 29 43.910 44.999 49.945 1.00 0.00 C ATOM 450 O PHE A 29 43.176 45.923 49.598 1.00 0.00 O ATOM 451 CB PHE A 29 46.428 45.195 50.029 1.00 0.00 C ATOM 452 CG PHE A 29 47.645 45.591 50.839 1.00 0.00 C ATOM 453 CD1 PHE A 29 47.859 46.923 51.209 1.00 0.00 C ATOM 454 CD2 PHE A 29 48.593 44.641 51.230 1.00 0.00 C ATOM 455 CE1 PHE A 29 48.975 47.300 51.957 1.00 0.00 C ATOM 456 CE2 PHE A 29 49.717 45.001 51.975 1.00 0.00 C ATOM 457 CZ PHE A 29 49.912 46.337 52.347 1.00 0.00 C ATOM 0 H PHE A 29 45.816 43.663 52.088 1.00 0.00 H new ATOM 0 HA PHE A 29 45.149 46.261 51.297 1.00 0.00 H new ATOM 0 HB2 PHE A 29 46.561 44.184 49.644 1.00 0.00 H new ATOM 0 HB3 PHE A 29 46.335 45.855 49.166 1.00 0.00 H new ATOM 0 HD1 PHE A 29 47.145 47.676 50.909 1.00 0.00 H new ATOM 0 HD2 PHE A 29 48.453 43.607 50.950 1.00 0.00 H new ATOM 0 HE1 PHE A 29 49.115 48.334 52.235 1.00 0.00 H new ATOM 0 HE2 PHE A 29 50.436 44.249 52.265 1.00 0.00 H new ATOM 0 HZ PHE A 29 50.777 46.621 52.929 1.00 0.00 H new ATOM 467 N ASP A 30 43.749 43.695 49.517 1.00 0.00 N ATOM 468 CA ASP A 30 42.563 43.171 48.859 1.00 0.00 C ATOM 469 C ASP A 30 41.486 43.232 49.994 1.00 0.00 C ATOM 470 O ASP A 30 41.459 42.346 50.843 1.00 0.00 O ATOM 471 CB ASP A 30 42.772 41.735 48.322 1.00 0.00 C ATOM 472 CG ASP A 30 43.471 40.666 49.225 1.00 0.00 C ATOM 473 OD1 ASP A 30 44.338 41.074 50.005 1.00 0.00 O ATOM 474 OD2 ASP A 30 43.107 39.498 49.049 1.00 0.00 O ATOM 0 H ASP A 30 44.476 42.990 49.639 1.00 0.00 H new ATOM 0 HA ASP A 30 42.282 43.737 47.971 1.00 0.00 H new ATOM 0 HB2 ASP A 30 41.792 41.342 48.051 1.00 0.00 H new ATOM 0 HB3 ASP A 30 43.350 41.812 47.401 1.00 0.00 H new ATOM 479 N ASN A 31 40.550 44.275 50.023 1.00 0.00 N ATOM 480 CA ASN A 31 39.676 44.416 51.204 1.00 0.00 C ATOM 481 C ASN A 31 38.802 43.109 51.257 1.00 0.00 C ATOM 482 O ASN A 31 37.978 42.834 50.384 1.00 0.00 O ATOM 483 CB ASN A 31 38.819 45.685 51.216 1.00 0.00 C ATOM 484 CG ASN A 31 38.228 45.877 52.613 1.00 0.00 C ATOM 485 OD1 ASN A 31 37.336 45.181 53.060 1.00 0.00 O ATOM 486 ND2 ASN A 31 38.764 46.898 53.322 1.00 0.00 N ATOM 0 H ASN A 31 40.412 44.965 49.285 1.00 0.00 H new ATOM 0 HA ASN A 31 40.291 44.531 52.096 1.00 0.00 H new ATOM 0 HB2 ASN A 31 39.424 46.549 50.941 1.00 0.00 H new ATOM 0 HB3 ASN A 31 38.021 45.607 50.478 1.00 0.00 H new ATOM 0 HD21 ASN A 31 38.421 47.103 54.260 1.00 0.00 H new ATOM 0 HD22 ASN A 31 39.511 47.463 52.918 1.00 0.00 H new ATOM 493 N ILE A 32 38.990 42.282 52.363 1.00 0.00 N ATOM 494 CA ILE A 32 38.405 40.949 52.382 1.00 0.00 C ATOM 495 C ILE A 32 38.497 40.342 53.822 1.00 0.00 C ATOM 496 O ILE A 32 39.364 40.694 54.623 1.00 0.00 O ATOM 497 CB ILE A 32 39.107 39.941 51.402 1.00 0.00 C ATOM 498 CG1 ILE A 32 38.228 38.777 50.896 1.00 0.00 C ATOM 499 CG2 ILE A 32 40.414 39.355 51.983 1.00 0.00 C ATOM 500 CD1 ILE A 32 37.331 39.131 49.701 1.00 0.00 C ATOM 0 H ILE A 32 39.522 42.535 53.196 1.00 0.00 H new ATOM 0 HA ILE A 32 37.372 41.078 52.060 1.00 0.00 H new ATOM 0 HB ILE A 32 39.326 40.572 50.540 1.00 0.00 H new ATOM 0 HG12 ILE A 32 38.874 37.945 50.615 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.599 38.430 51.716 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.855 38.666 51.263 1.00 0.00 H new ATOM 0 HG22 ILE A 32 41.116 40.164 52.188 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.194 38.822 52.908 1.00 0.00 H new ATOM 0 HD11 ILE A 32 36.749 38.256 49.411 1.00 0.00 H new ATOM 0 HD12 ILE A 32 36.656 39.940 49.980 1.00 0.00 H new ATOM 0 HD13 ILE A 32 37.951 39.448 48.862 1.00 0.00 H new ATOM 512 N ILE A 33 37.566 39.358 54.125 1.00 0.00 N ATOM 513 CA ILE A 33 37.683 38.571 55.366 1.00 0.00 C ATOM 514 C ILE A 33 38.431 37.273 54.922 1.00 0.00 C ATOM 515 O ILE A 33 37.932 36.429 54.179 1.00 0.00 O ATOM 516 CB ILE A 33 36.399 38.259 56.140 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.823 39.545 56.781 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.597 37.185 57.235 1.00 0.00 C ATOM 519 CD1 ILE A 33 34.334 39.451 57.136 1.00 0.00 C ATOM 0 H ILE A 33 36.768 39.118 53.537 1.00 0.00 H new ATOM 0 HA ILE A 33 38.209 39.170 56.109 1.00 0.00 H new ATOM 0 HB ILE A 33 35.696 37.857 55.411 1.00 0.00 H new ATOM 0 HG12 ILE A 33 36.388 39.773 57.685 1.00 0.00 H new ATOM 0 HG13 ILE A 33 35.971 40.379 56.094 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.651 37.009 57.747 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.940 36.257 56.777 1.00 0.00 H new ATOM 0 HG23 ILE A 33 37.340 37.531 57.954 1.00 0.00 H new ATOM 0 HD11 ILE A 33 34.006 40.391 57.580 1.00 0.00 H new ATOM 0 HD12 ILE A 33 33.756 39.255 56.233 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.180 38.640 57.848 1.00 0.00 H new ATOM 531 N ARG A 34 39.712 37.129 55.417 1.00 0.00 N ATOM 532 CA ARG A 34 40.571 35.991 55.061 1.00 0.00 C ATOM 533 C ARG A 34 41.388 35.832 56.361 1.00 0.00 C ATOM 534 O ARG A 34 42.267 36.624 56.703 1.00 0.00 O ATOM 535 CB ARG A 34 41.426 36.207 53.813 1.00 0.00 C ATOM 536 CG ARG A 34 42.482 35.120 53.538 1.00 0.00 C ATOM 537 CD ARG A 34 43.011 35.166 52.094 1.00 0.00 C ATOM 538 NE ARG A 34 43.365 36.482 51.503 1.00 0.00 N ATOM 539 CZ ARG A 34 44.148 37.417 52.017 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.660 37.308 53.215 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.430 38.462 51.293 1.00 0.00 N ATOM 0 H ARG A 34 40.147 37.794 56.057 1.00 0.00 H new ATOM 0 HA ARG A 34 40.018 35.099 54.767 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.766 36.275 52.948 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.933 37.168 53.903 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.314 35.243 54.231 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.048 34.139 53.732 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.898 34.534 52.047 1.00 0.00 H new ATOM 0 HD3 ARG A 34 42.259 34.708 51.452 1.00 0.00 H new ATOM 0 HE ARG A 34 42.956 36.690 50.592 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.460 36.484 53.782 1.00 0.00 H new ATOM 0 HH12 ARG A 34 45.260 38.047 53.582 1.00 0.00 H new ATOM 0 HH21 ARG A 34 44.049 38.547 50.351 1.00 0.00 H new ATOM 0 HH22 ARG A 34 45.031 39.195 51.668 1.00 0.00 H new ATOM 555 N ARG A 35 41.007 34.751 57.142 1.00 0.00 N ATOM 556 CA ARG A 35 41.329 34.758 58.558 1.00 0.00 C ATOM 557 C ARG A 35 41.737 33.390 59.153 1.00 0.00 C ATOM 558 O ARG A 35 41.882 32.419 58.414 1.00 0.00 O ATOM 559 CB ARG A 35 40.138 35.451 59.252 1.00 0.00 C ATOM 560 CG ARG A 35 38.733 34.760 59.326 1.00 0.00 C ATOM 561 CD ARG A 35 38.667 33.357 59.978 1.00 0.00 C ATOM 562 NE ARG A 35 37.447 32.917 60.710 1.00 0.00 N ATOM 563 CZ ARG A 35 36.166 32.964 60.382 1.00 0.00 C ATOM 564 NH1 ARG A 35 35.718 33.621 59.351 1.00 0.00 N ATOM 565 NH2 ARG A 35 35.301 32.345 61.137 1.00 0.00 N ATOM 0 H ARG A 35 40.507 33.928 56.806 1.00 0.00 H new ATOM 0 HA ARG A 35 42.250 35.313 58.735 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.444 35.662 60.277 1.00 0.00 H new ATOM 0 HB3 ARG A 35 39.996 36.412 58.758 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.061 35.419 59.875 1.00 0.00 H new ATOM 0 HG3 ARG A 35 38.342 34.680 58.312 1.00 0.00 H new ATOM 0 HD2 ARG A 35 38.849 32.627 59.189 1.00 0.00 H new ATOM 0 HD3 ARG A 35 39.502 33.287 60.675 1.00 0.00 H new ATOM 0 HE ARG A 35 37.631 32.507 61.626 1.00 0.00 H new ATOM 0 HH11 ARG A 35 36.366 34.132 58.751 1.00 0.00 H new ATOM 0 HH12 ARG A 35 34.719 33.624 59.143 1.00 0.00 H new ATOM 0 HH21 ARG A 35 35.617 31.837 61.963 1.00 0.00 H new ATOM 0 HH22 ARG A 35 34.309 32.369 60.901 1.00 0.00 H new ATOM 579 N GLY A 36 42.029 33.351 60.518 1.00 0.00 N ATOM 580 CA GLY A 36 42.584 32.061 60.935 1.00 0.00 C ATOM 581 C GLY A 36 43.084 31.893 62.373 1.00 0.00 C ATOM 582 O GLY A 36 42.896 32.742 63.235 1.00 0.00 O ATOM 0 H GLY A 36 41.905 34.082 61.218 1.00 0.00 H new ATOM 0 HA2 GLY A 36 41.819 31.304 60.763 1.00 0.00 H new ATOM 0 HA3 GLY A 36 43.416 31.831 60.269 1.00 0.00 H new ATOM 586 N CYS A 37 43.726 30.686 62.593 1.00 0.00 N ATOM 587 CA CYS A 37 44.220 30.296 63.913 1.00 0.00 C ATOM 588 C CYS A 37 45.534 31.085 64.238 1.00 0.00 C ATOM 589 O CYS A 37 46.582 30.957 63.608 1.00 0.00 O ATOM 590 CB CYS A 37 44.444 28.762 64.052 1.00 0.00 C ATOM 591 SG CYS A 37 45.595 28.025 62.849 1.00 0.00 S ATOM 0 H CYS A 37 43.897 29.995 61.862 1.00 0.00 H new ATOM 0 HA CYS A 37 43.448 30.554 64.638 1.00 0.00 H new ATOM 0 HB2 CYS A 37 44.815 28.556 65.056 1.00 0.00 H new ATOM 0 HB3 CYS A 37 43.480 28.262 63.959 1.00 0.00 H new ATOM 596 N GLY A 38 45.425 31.985 65.291 1.00 0.00 N ATOM 597 CA GLY A 38 46.609 32.662 65.812 1.00 0.00 C ATOM 598 C GLY A 38 46.140 33.273 67.167 1.00 0.00 C ATOM 599 O GLY A 38 45.788 32.557 68.104 1.00 0.00 O ATOM 0 H GLY A 38 44.550 32.228 65.756 1.00 0.00 H new ATOM 0 HA2 GLY A 38 47.435 31.965 65.955 1.00 0.00 H new ATOM 0 HA3 GLY A 38 46.959 33.435 65.127 1.00 0.00 H new ATOM 603 N CYS A 39 46.090 34.659 67.262 1.00 0.00 N ATOM 604 CA CYS A 39 45.524 35.284 68.456 1.00 0.00 C ATOM 605 C CYS A 39 46.345 35.054 69.761 1.00 0.00 C ATOM 606 O CYS A 39 47.565 34.915 69.763 1.00 0.00 O ATOM 607 CB CYS A 39 45.409 36.813 68.281 1.00 0.00 C ATOM 608 SG CYS A 39 43.935 37.428 67.400 1.00 0.00 S ATOM 0 H CYS A 39 46.425 35.306 66.548 1.00 0.00 H new ATOM 0 HA CYS A 39 44.552 34.803 68.564 1.00 0.00 H new ATOM 0 HB2 CYS A 39 45.430 37.271 69.270 1.00 0.00 H new ATOM 0 HB3 CYS A 39 46.294 37.162 67.749 1.00 0.00 H new ATOM 613 N PHE A 40 45.581 35.129 70.917 1.00 0.00 N ATOM 614 CA PHE A 40 46.149 35.032 72.260 1.00 0.00 C ATOM 615 C PHE A 40 47.017 36.333 72.485 1.00 0.00 C ATOM 616 O PHE A 40 48.145 36.254 72.963 1.00 0.00 O ATOM 617 CB PHE A 40 46.840 33.683 72.554 1.00 0.00 C ATOM 618 CG PHE A 40 45.859 32.521 72.474 1.00 0.00 C ATOM 619 CD1 PHE A 40 44.897 32.331 73.472 1.00 0.00 C ATOM 620 CD2 PHE A 40 45.861 31.626 71.397 1.00 0.00 C ATOM 621 CE1 PHE A 40 43.967 31.296 73.398 1.00 0.00 C ATOM 622 CE2 PHE A 40 44.956 30.569 71.320 1.00 0.00 C ATOM 623 CZ PHE A 40 44.016 30.390 72.342 1.00 0.00 C ATOM 0 H PHE A 40 44.569 35.257 70.909 1.00 0.00 H new ATOM 0 HA PHE A 40 45.364 35.011 73.016 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.650 33.526 71.842 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.290 33.713 73.547 1.00 0.00 H new ATOM 0 HD1 PHE A 40 44.875 33.001 74.318 1.00 0.00 H new ATOM 0 HD2 PHE A 40 46.583 31.758 70.605 1.00 0.00 H new ATOM 0 HE1 PHE A 40 43.208 31.197 74.160 1.00 0.00 H new ATOM 0 HE2 PHE A 40 44.980 29.893 70.478 1.00 0.00 H new ATOM 0 HZ PHE A 40 43.333 29.554 72.311 1.00 0.00 H new ATOM 735 N GLY A 48 46.137 44.205 66.623 1.00 0.00 N ATOM 736 CA GLY A 48 45.817 42.789 66.494 1.00 0.00 C ATOM 737 C GLY A 48 44.369 42.622 65.955 1.00 0.00 C ATOM 738 O GLY A 48 43.473 43.418 66.234 1.00 0.00 O ATOM 0 HA2 GLY A 48 46.524 42.307 65.818 1.00 0.00 H new ATOM 0 HA3 GLY A 48 45.914 42.296 67.461 1.00 0.00 H new ATOM 742 N PRO A 49 44.144 41.458 65.244 1.00 0.00 N ATOM 743 CA PRO A 49 42.800 41.025 64.853 1.00 0.00 C ATOM 744 C PRO A 49 41.820 40.915 66.046 1.00 0.00 C ATOM 745 O PRO A 49 42.203 40.889 67.215 1.00 0.00 O ATOM 746 CB PRO A 49 43.042 39.592 64.364 1.00 0.00 C ATOM 747 CG PRO A 49 44.377 39.751 63.647 1.00 0.00 C ATOM 748 CD PRO A 49 45.165 40.617 64.623 1.00 0.00 C ATOM 0 HA PRO A 49 42.363 41.727 64.143 1.00 0.00 H new ATOM 0 HB2 PRO A 49 43.098 38.879 65.187 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.254 39.246 63.696 1.00 0.00 H new ATOM 0 HG2 PRO A 49 44.862 38.791 63.472 1.00 0.00 H new ATOM 0 HG3 PRO A 49 44.263 40.233 62.676 1.00 0.00 H new ATOM 0 HD2 PRO A 49 45.689 40.011 65.363 1.00 0.00 H new ATOM 0 HD3 PRO A 49 45.918 41.215 64.110 1.00 0.00 H new ATOM 756 N TYR A 50 40.498 40.778 65.677 1.00 0.00 N ATOM 757 CA TYR A 50 39.473 40.599 66.726 1.00 0.00 C ATOM 758 C TYR A 50 39.530 39.047 67.003 1.00 0.00 C ATOM 759 O TYR A 50 39.263 38.235 66.117 1.00 0.00 O ATOM 760 CB TYR A 50 38.035 41.185 66.436 1.00 0.00 C ATOM 761 CG TYR A 50 36.907 40.162 66.435 1.00 0.00 C ATOM 762 CD1 TYR A 50 36.651 39.305 67.507 1.00 0.00 C ATOM 763 CD2 TYR A 50 36.051 40.072 65.338 1.00 0.00 C ATOM 764 CE1 TYR A 50 35.691 38.303 67.436 1.00 0.00 C ATOM 765 CE2 TYR A 50 35.063 39.106 65.259 1.00 0.00 C ATOM 766 CZ TYR A 50 34.904 38.162 66.288 1.00 0.00 C ATOM 767 OH TYR A 50 33.997 37.159 66.119 1.00 0.00 O ATOM 0 H TYR A 50 40.150 40.789 64.718 1.00 0.00 H new ATOM 0 HA TYR A 50 39.694 41.202 67.607 1.00 0.00 H new ATOM 0 HB2 TYR A 50 37.813 41.947 67.183 1.00 0.00 H new ATOM 0 HB3 TYR A 50 38.052 41.684 65.467 1.00 0.00 H new ATOM 0 HD1 TYR A 50 37.216 39.425 68.419 1.00 0.00 H new ATOM 0 HD2 TYR A 50 36.162 40.776 64.527 1.00 0.00 H new ATOM 0 HE1 TYR A 50 35.552 37.631 68.270 1.00 0.00 H new ATOM 0 HE2 TYR A 50 34.409 39.077 64.400 1.00 0.00 H new ATOM 0 HH TYR A 50 34.389 36.310 66.413 1.00 0.00 H new ATOM 777 N CYS A 51 39.827 38.611 68.297 1.00 0.00 N ATOM 778 CA CYS A 51 40.190 37.189 68.539 1.00 0.00 C ATOM 779 C CYS A 51 39.043 36.441 69.314 1.00 0.00 C ATOM 780 O CYS A 51 38.488 36.922 70.299 1.00 0.00 O ATOM 781 CB CYS A 51 41.480 37.159 69.378 1.00 0.00 C ATOM 782 SG CYS A 51 42.816 38.306 68.863 1.00 0.00 S ATOM 0 H CYS A 51 39.817 39.204 69.127 1.00 0.00 H new ATOM 0 HA CYS A 51 40.337 36.685 67.584 1.00 0.00 H new ATOM 0 HB2 CYS A 51 41.219 37.381 70.413 1.00 0.00 H new ATOM 0 HB3 CYS A 51 41.876 36.144 69.360 1.00 0.00 H new ATOM 787 N CYS A 52 38.704 35.186 68.821 1.00 0.00 N ATOM 788 CA CYS A 52 37.558 34.392 69.311 1.00 0.00 C ATOM 789 C CYS A 52 37.964 32.953 69.759 1.00 0.00 C ATOM 790 O CYS A 52 38.960 32.406 69.296 1.00 0.00 O ATOM 791 CB CYS A 52 36.535 34.239 68.194 1.00 0.00 C ATOM 792 SG CYS A 52 34.880 33.687 68.679 1.00 0.00 S ATOM 0 H CYS A 52 39.229 34.723 68.079 1.00 0.00 H new ATOM 0 HA CYS A 52 37.156 34.928 70.171 1.00 0.00 H new ATOM 0 HB2 CYS A 52 36.439 35.199 67.687 1.00 0.00 H new ATOM 0 HB3 CYS A 52 36.930 33.531 67.465 1.00 0.00 H new ATOM 797 N GLU A 53 37.107 32.310 70.629 1.00 0.00 N ATOM 798 CA GLU A 53 37.427 30.986 71.206 1.00 0.00 C ATOM 799 C GLU A 53 36.271 29.946 71.009 1.00 0.00 C ATOM 800 O GLU A 53 36.054 29.077 71.853 1.00 0.00 O ATOM 801 CB GLU A 53 37.901 31.121 72.670 1.00 0.00 C ATOM 802 CG GLU A 53 36.884 31.655 73.707 1.00 0.00 C ATOM 803 CD GLU A 53 36.445 33.092 73.453 1.00 0.00 C ATOM 804 OE1 GLU A 53 35.460 33.437 72.826 1.00 0.00 O ATOM 805 OE2 GLU A 53 37.269 33.966 74.030 1.00 0.00 O ATOM 0 H GLU A 53 36.211 32.693 70.930 1.00 0.00 H new ATOM 0 HA GLU A 53 38.266 30.573 70.646 1.00 0.00 H new ATOM 0 HB2 GLU A 53 38.239 30.140 73.005 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.770 31.779 72.682 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.005 31.011 73.705 1.00 0.00 H new ATOM 0 HG3 GLU A 53 37.325 31.590 74.702 1.00 0.00 H new ATOM 813 N SER A 54 35.626 29.958 69.786 1.00 0.00 N ATOM 814 CA SER A 54 34.425 29.133 69.500 1.00 0.00 C ATOM 815 C SER A 54 34.517 28.354 68.138 1.00 0.00 C ATOM 816 O SER A 54 35.321 28.706 67.277 1.00 0.00 O ATOM 817 CB SER A 54 33.133 30.002 69.475 1.00 0.00 C ATOM 818 OG SER A 54 32.920 30.618 70.746 1.00 0.00 O ATOM 0 H SER A 54 35.929 30.532 68.999 1.00 0.00 H new ATOM 0 HA SER A 54 34.381 28.406 70.311 1.00 0.00 H new ATOM 0 HB2 SER A 54 33.217 30.767 68.703 1.00 0.00 H new ATOM 0 HB3 SER A 54 32.275 29.381 69.217 1.00 0.00 H new ATOM 0 HG SER A 54 32.105 31.162 70.714 1.00 0.00 H new ATOM 824 N ASP A 55 33.669 27.256 67.965 1.00 0.00 N ATOM 825 CA ASP A 55 33.636 26.571 66.654 1.00 0.00 C ATOM 826 C ASP A 55 32.941 27.544 65.636 1.00 0.00 C ATOM 827 O ASP A 55 31.890 28.127 65.897 1.00 0.00 O ATOM 828 CB ASP A 55 32.895 25.214 66.614 1.00 0.00 C ATOM 829 CG ASP A 55 32.908 24.582 65.192 1.00 0.00 C ATOM 830 OD1 ASP A 55 33.947 24.733 64.537 1.00 0.00 O ATOM 831 OD2 ASP A 55 31.880 23.994 64.844 1.00 0.00 O ATOM 0 H ASP A 55 33.052 26.871 68.680 1.00 0.00 H new ATOM 0 HA ASP A 55 34.672 26.335 66.410 1.00 0.00 H new ATOM 0 HB2 ASP A 55 33.360 24.526 67.320 1.00 0.00 H new ATOM 0 HB3 ASP A 55 31.864 25.355 66.938 1.00 0.00 H new ATOM 836 N LYS A 56 33.597 27.701 64.420 1.00 0.00 N ATOM 837 CA LYS A 56 33.195 28.579 63.325 1.00 0.00 C ATOM 838 C LYS A 56 33.529 30.031 63.766 1.00 0.00 C ATOM 839 O LYS A 56 34.412 30.666 63.195 1.00 0.00 O ATOM 840 CB LYS A 56 31.775 28.417 62.742 1.00 0.00 C ATOM 841 CG LYS A 56 31.398 26.947 62.426 1.00 0.00 C ATOM 842 CD LYS A 56 32.353 26.222 61.458 1.00 0.00 C ATOM 843 CE LYS A 56 32.085 24.721 61.313 1.00 0.00 C ATOM 844 NZ LYS A 56 32.651 23.967 62.528 1.00 0.00 N ATOM 0 H LYS A 56 34.449 27.183 64.204 1.00 0.00 H new ATOM 0 HA LYS A 56 33.768 28.275 62.449 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.052 28.825 63.449 1.00 0.00 H new ATOM 0 HB3 LYS A 56 31.696 29.008 61.829 1.00 0.00 H new ATOM 0 HG2 LYS A 56 31.360 26.389 63.361 1.00 0.00 H new ATOM 0 HG3 LYS A 56 30.394 26.928 62.003 1.00 0.00 H new ATOM 0 HD2 LYS A 56 32.279 26.689 60.476 1.00 0.00 H new ATOM 0 HD3 LYS A 56 33.377 26.365 61.802 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.013 24.541 61.229 1.00 0.00 H new ATOM 0 HE3 LYS A 56 32.543 24.348 60.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 32.904 22.998 62.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 33.498 24.459 62.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 31.934 23.934 63.281 1.00 0.00 H new ATOM 858 N CYS A 57 32.785 30.535 64.808 1.00 0.00 N ATOM 859 CA CYS A 57 32.915 31.847 65.417 1.00 0.00 C ATOM 860 C CYS A 57 32.186 32.865 64.490 1.00 0.00 C ATOM 861 O CYS A 57 32.762 33.858 64.049 1.00 0.00 O ATOM 862 CB CYS A 57 34.305 32.298 65.877 1.00 0.00 C ATOM 863 SG CYS A 57 34.194 33.904 66.758 1.00 0.00 S ATOM 0 H CYS A 57 32.048 29.983 65.247 1.00 0.00 H new ATOM 0 HA CYS A 57 32.436 31.786 66.394 1.00 0.00 H new ATOM 0 HB2 CYS A 57 34.741 31.545 66.533 1.00 0.00 H new ATOM 0 HB3 CYS A 57 34.967 32.392 65.017 1.00 0.00 H new ATOM 868 N ASN A 58 30.838 32.601 64.265 1.00 0.00 N ATOM 869 CA ASN A 58 29.916 33.613 63.746 1.00 0.00 C ATOM 870 C ASN A 58 30.369 33.956 62.289 1.00 0.00 C ATOM 871 O ASN A 58 30.790 35.079 62.014 1.00 0.00 O ATOM 872 CB ASN A 58 29.829 34.823 64.697 1.00 0.00 C ATOM 873 CG ASN A 58 29.618 34.405 66.154 1.00 0.00 C ATOM 874 OD1 ASN A 58 30.531 34.120 66.909 1.00 0.00 O ATOM 875 ND2 ASN A 58 28.330 34.393 66.561 1.00 0.00 N ATOM 0 H ASN A 58 30.403 31.696 64.444 1.00 0.00 H new ATOM 0 HA ASN A 58 28.892 33.242 63.699 1.00 0.00 H new ATOM 0 HB2 ASN A 58 30.744 35.410 64.619 1.00 0.00 H new ATOM 0 HB3 ASN A 58 29.009 35.469 64.385 1.00 0.00 H new ATOM 0 HD21 ASN A 58 28.101 34.141 67.523 1.00 0.00 H new ATOM 0 HD22 ASN A 58 27.586 34.636 65.907 1.00 0.00 H new ATOM 882 N LEU A 59 30.245 32.937 61.359 1.00 0.00 N ATOM 883 CA LEU A 59 30.691 32.990 59.953 1.00 0.00 C ATOM 884 C LEU A 59 32.275 33.011 60.061 1.00 0.00 C ATOM 885 O LEU A 59 32.889 34.073 59.884 1.00 0.00 O ATOM 886 CB LEU A 59 29.987 34.067 59.096 1.00 0.00 C ATOM 887 CG LEU A 59 29.528 33.639 57.676 1.00 0.00 C ATOM 888 CD1 LEU A 59 30.691 33.318 56.728 1.00 0.00 C ATOM 889 CD2 LEU A 59 28.513 32.480 57.689 1.00 0.00 C ATOM 890 OXT LEU A 59 32.763 31.911 60.355 1.00 0.00 O ATOM 0 H LEU A 59 29.817 32.042 61.597 1.00 0.00 H new ATOM 0 HA LEU A 59 30.385 32.130 59.358 1.00 0.00 H new ATOM 0 HB2 LEU A 59 29.113 34.420 59.644 1.00 0.00 H new ATOM 0 HB3 LEU A 59 30.663 34.916 58.993 1.00 0.00 H new ATOM 0 HG LEU A 59 29.021 34.520 57.284 1.00 0.00 H new ATOM 0 HD11 LEU A 59 30.297 33.026 55.754 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.322 34.199 56.615 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.281 32.500 57.140 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.233 32.230 56.666 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.962 31.609 58.166 1.00 0.00 H new ATOM 0 HD23 LEU A 59 27.625 32.780 58.245 1.00 0.00 H new