USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=15 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= 0.397 X(o=0.57,f=0.24) USER MOD Set 1.2: A 6 HIS : no HE2:sc= -0.0469 K(o=0.57,f=-2.9!) USER MOD Set 1.3: A 13 THR OG1 : rot 78:sc= 0.224 USER MOD Single : A 1 ARG N :NH3+ 166:sc= 0.787 (180deg=0.671) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 46:sc= 1.09 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= 0.278 K(o=0.28,f=-4!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -133:sc= 0.813! (180deg=-4.33!) USER MOD Single : A 25 ASN :FLIP amide:sc= -3.45! C(o=-4.3!,f=-3.5!) USER MOD Single : A 28 THR OG1 : rot -118:sc= 1.17 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,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+ 178:sc= -1.38! (180deg=-1.55!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 39.344 22.838 66.157 1.00 0.00 N ATOM 2 CA ARG A 1 38.299 23.837 65.651 1.00 0.00 C ATOM 3 C ARG A 1 38.589 24.046 64.132 1.00 0.00 C ATOM 4 O ARG A 1 39.537 23.456 63.625 1.00 0.00 O ATOM 5 CB ARG A 1 38.463 25.172 66.383 1.00 0.00 C ATOM 6 CG ARG A 1 38.053 25.167 67.867 1.00 0.00 C ATOM 7 CD ARG A 1 37.845 26.605 68.362 1.00 0.00 C ATOM 8 NE ARG A 1 37.438 26.816 69.778 1.00 0.00 N ATOM 9 CZ ARG A 1 38.108 26.459 70.865 1.00 0.00 C ATOM 10 NH1 ARG A 1 39.175 25.716 70.800 1.00 0.00 N ATOM 11 NH2 ARG A 1 37.663 26.807 72.044 1.00 0.00 N ATOM 0 H1 ARG A 1 39.352 22.841 67.197 1.00 0.00 H new ATOM 0 H2 ARG A 1 39.107 21.885 65.815 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.284 23.109 65.803 1.00 0.00 H new ATOM 0 HA ARG A 1 37.287 23.470 65.822 1.00 0.00 H new ATOM 0 HB2 ARG A 1 39.506 25.479 66.313 1.00 0.00 H new ATOM 0 HB3 ARG A 1 37.873 25.927 65.863 1.00 0.00 H new ATOM 0 HG2 ARG A 1 37.135 24.593 67.997 1.00 0.00 H new ATOM 0 HG3 ARG A 1 38.823 24.677 68.463 1.00 0.00 H new ATOM 0 HD2 ARG A 1 38.775 27.149 68.200 1.00 0.00 H new ATOM 0 HD3 ARG A 1 37.090 27.068 67.727 1.00 0.00 H new ATOM 0 HE ARG A 1 36.546 27.287 69.929 1.00 0.00 H new ATOM 0 HH11 ARG A 1 39.517 25.392 69.895 1.00 0.00 H new ATOM 0 HH12 ARG A 1 39.669 25.458 71.654 1.00 0.00 H new ATOM 0 HH21 ARG A 1 36.804 27.351 72.125 1.00 0.00 H new ATOM 0 HH22 ARG A 1 38.175 26.535 72.883 1.00 0.00 H new ATOM 27 N ILE A 2 37.765 24.900 63.425 1.00 0.00 N ATOM 28 CA ILE A 2 37.977 25.220 62.002 1.00 0.00 C ATOM 29 C ILE A 2 37.676 26.760 61.819 1.00 0.00 C ATOM 30 O ILE A 2 36.627 27.269 62.210 1.00 0.00 O ATOM 31 CB ILE A 2 37.132 24.465 60.935 1.00 0.00 C ATOM 32 CG1 ILE A 2 37.363 22.931 60.855 1.00 0.00 C ATOM 33 CG2 ILE A 2 37.387 25.000 59.497 1.00 0.00 C ATOM 34 CD1 ILE A 2 36.808 22.012 61.953 1.00 0.00 C ATOM 0 H ILE A 2 36.956 25.366 63.836 1.00 0.00 H new ATOM 0 HA ILE A 2 39.002 24.902 61.810 1.00 0.00 H new ATOM 0 HB ILE A 2 36.115 24.653 61.280 1.00 0.00 H new ATOM 0 HG12 ILE A 2 36.948 22.590 59.907 1.00 0.00 H new ATOM 0 HG13 ILE A 2 38.440 22.767 60.809 1.00 0.00 H new ATOM 0 HG21 ILE A 2 36.775 24.443 58.788 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.125 26.057 59.450 1.00 0.00 H new ATOM 0 HG23 ILE A 2 38.440 24.876 59.244 1.00 0.00 H new ATOM 0 HD11 ILE A 2 37.068 20.978 61.727 1.00 0.00 H new ATOM 0 HD12 ILE A 2 37.238 22.293 62.914 1.00 0.00 H new ATOM 0 HD13 ILE A 2 35.724 22.112 61.998 1.00 0.00 H new ATOM 46 N CYS A 3 38.651 27.504 61.170 1.00 0.00 N ATOM 47 CA CYS A 3 38.436 28.881 60.706 1.00 0.00 C ATOM 48 C CYS A 3 39.090 29.000 59.257 1.00 0.00 C ATOM 49 O CYS A 3 40.055 28.304 58.948 1.00 0.00 O ATOM 50 CB CYS A 3 39.007 29.994 61.610 1.00 0.00 C ATOM 51 SG CYS A 3 38.188 30.454 63.205 1.00 0.00 S ATOM 0 H CYS A 3 39.585 27.146 60.970 1.00 0.00 H new ATOM 0 HA CYS A 3 37.359 29.046 60.714 1.00 0.00 H new ATOM 0 HB2 CYS A 3 40.033 29.714 61.849 1.00 0.00 H new ATOM 0 HB3 CYS A 3 39.057 30.900 61.006 1.00 0.00 H new ATOM 56 N TYR A 4 38.560 29.929 58.359 1.00 0.00 N ATOM 57 CA TYR A 4 38.911 29.856 56.913 1.00 0.00 C ATOM 58 C TYR A 4 39.797 31.040 56.413 1.00 0.00 C ATOM 59 O TYR A 4 39.639 32.192 56.809 1.00 0.00 O ATOM 60 CB TYR A 4 37.630 29.890 56.052 1.00 0.00 C ATOM 61 CG TYR A 4 36.613 28.894 56.551 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.802 29.166 57.652 1.00 0.00 C ATOM 63 CD2 TYR A 4 36.534 27.626 55.993 1.00 0.00 C ATOM 64 CE1 TYR A 4 35.010 28.191 58.234 1.00 0.00 C ATOM 65 CE2 TYR A 4 35.740 26.636 56.545 1.00 0.00 C ATOM 66 CZ TYR A 4 34.967 26.905 57.682 1.00 0.00 C ATOM 67 OH TYR A 4 34.185 25.911 58.210 1.00 0.00 O ATOM 0 H TYR A 4 37.926 30.687 58.613 1.00 0.00 H new ATOM 0 HA TYR A 4 39.469 28.926 56.809 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.202 30.892 56.071 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.880 29.670 55.014 1.00 0.00 H new ATOM 0 HD1 TYR A 4 35.791 30.165 58.062 1.00 0.00 H new ATOM 0 HD2 TYR A 4 37.107 27.406 55.105 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.426 28.422 59.113 1.00 0.00 H new ATOM 0 HE2 TYR A 4 35.716 25.653 56.098 1.00 0.00 H new ATOM 0 HH TYR A 4 34.295 25.093 57.682 1.00 0.00 H new ATOM 77 N ASN A 5 40.679 30.727 55.395 1.00 0.00 N ATOM 78 CA ASN A 5 41.645 31.702 54.854 1.00 0.00 C ATOM 79 C ASN A 5 41.447 31.865 53.302 1.00 0.00 C ATOM 80 O ASN A 5 42.373 32.314 52.633 1.00 0.00 O ATOM 81 CB ASN A 5 43.119 31.433 55.323 1.00 0.00 C ATOM 82 CG ASN A 5 43.354 29.997 55.779 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.764 29.122 55.039 1.00 0.00 O ATOM 84 ND2 ASN A 5 43.063 29.768 57.081 1.00 0.00 N ATOM 0 H ASN A 5 40.723 29.810 54.951 1.00 0.00 H new ATOM 0 HA ASN A 5 41.433 32.680 55.285 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.801 31.663 54.505 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.362 32.111 56.141 1.00 0.00 H new ATOM 0 HD21 ASN A 5 43.185 28.835 57.474 1.00 0.00 H new ATOM 0 HD22 ASN A 5 42.721 30.529 57.669 1.00 0.00 H new ATOM 91 N HIS A 6 40.210 31.560 52.745 1.00 0.00 N ATOM 92 CA HIS A 6 39.785 31.674 51.340 1.00 0.00 C ATOM 93 C HIS A 6 39.250 33.099 50.967 1.00 0.00 C ATOM 94 O HIS A 6 39.606 34.084 51.604 1.00 0.00 O ATOM 95 CB HIS A 6 40.722 31.067 50.225 1.00 0.00 C ATOM 96 CG HIS A 6 41.996 31.787 49.846 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.084 33.138 49.467 1.00 0.00 N ATOM 98 CD2 HIS A 6 43.268 31.311 49.693 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.326 33.473 49.125 1.00 0.00 C ATOM 100 NE2 HIS A 6 44.064 32.360 49.261 1.00 0.00 N ATOM 0 H HIS A 6 39.453 31.206 53.331 1.00 0.00 H new ATOM 0 HA HIS A 6 38.945 30.980 51.325 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.998 30.062 50.543 1.00 0.00 H new ATOM 0 HB3 HIS A 6 40.125 30.962 49.319 1.00 0.00 H new ATOM 0 HD1 HIS A 6 41.293 33.782 49.456 1.00 0.00 H new ATOM 0 HD2 HIS A 6 43.595 30.298 49.876 1.00 0.00 H new ATOM 0 HE1 HIS A 6 43.671 34.445 48.803 1.00 0.00 H new ATOM 109 N LEU A 7 38.337 33.194 49.923 1.00 0.00 N ATOM 110 CA LEU A 7 37.815 34.490 49.492 1.00 0.00 C ATOM 111 C LEU A 7 38.950 35.361 48.845 1.00 0.00 C ATOM 112 O LEU A 7 40.036 34.880 48.525 1.00 0.00 O ATOM 113 CB LEU A 7 36.954 35.211 50.549 1.00 0.00 C ATOM 114 CG LEU A 7 35.730 34.448 51.111 1.00 0.00 C ATOM 115 CD1 LEU A 7 35.217 35.165 52.370 1.00 0.00 C ATOM 116 CD2 LEU A 7 34.584 34.341 50.090 1.00 0.00 C ATOM 0 H LEU A 7 37.978 32.395 49.400 1.00 0.00 H new ATOM 0 HA LEU A 7 37.089 34.301 48.701 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.600 35.475 51.386 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.598 36.145 50.114 1.00 0.00 H new ATOM 0 HG LEU A 7 36.058 33.436 51.347 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.355 34.630 52.768 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.006 35.191 53.121 1.00 0.00 H new ATOM 0 HD13 LEU A 7 34.925 36.184 52.115 1.00 0.00 H new ATOM 0 HD21 LEU A 7 33.750 33.797 50.534 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.255 35.341 49.806 1.00 0.00 H new ATOM 0 HD23 LEU A 7 34.934 33.809 49.205 1.00 0.00 H new ATOM 128 N GLY A 8 38.590 36.656 48.517 1.00 0.00 N ATOM 129 CA GLY A 8 39.442 37.474 47.650 1.00 0.00 C ATOM 130 C GLY A 8 39.042 37.074 46.208 1.00 0.00 C ATOM 131 O GLY A 8 38.408 37.849 45.502 1.00 0.00 O ATOM 0 H GLY A 8 37.740 37.118 48.841 1.00 0.00 H new ATOM 0 HA2 GLY A 8 39.279 38.537 47.825 1.00 0.00 H new ATOM 0 HA3 GLY A 8 40.498 37.279 47.836 1.00 0.00 H new ATOM 135 N THR A 9 39.442 35.807 45.796 1.00 0.00 N ATOM 136 CA THR A 9 39.130 35.205 44.493 1.00 0.00 C ATOM 137 C THR A 9 39.899 33.860 44.396 1.00 0.00 C ATOM 138 O THR A 9 39.332 32.857 43.962 1.00 0.00 O ATOM 139 CB THR A 9 39.482 36.022 43.207 1.00 0.00 C ATOM 140 OG1 THR A 9 38.487 37.004 42.906 1.00 0.00 O ATOM 141 CG2 THR A 9 39.596 35.178 41.927 1.00 0.00 C ATOM 0 H THR A 9 39.997 35.192 46.392 1.00 0.00 H new ATOM 0 HA THR A 9 38.043 35.128 44.490 1.00 0.00 H new ATOM 0 HB THR A 9 40.448 36.461 43.459 1.00 0.00 H new ATOM 0 HG1 THR A 9 38.252 37.493 43.722 1.00 0.00 H new ATOM 0 HG21 THR A 9 39.842 35.825 41.085 1.00 0.00 H new ATOM 0 HG22 THR A 9 40.380 34.431 42.052 1.00 0.00 H new ATOM 0 HG23 THR A 9 38.646 34.678 41.735 1.00 0.00 H new ATOM 149 N LYS A 10 41.235 33.860 44.777 1.00 0.00 N ATOM 150 CA LYS A 10 42.052 32.631 44.701 1.00 0.00 C ATOM 151 C LYS A 10 41.319 31.438 45.448 1.00 0.00 C ATOM 152 O LYS A 10 40.570 31.638 46.404 1.00 0.00 O ATOM 153 CB LYS A 10 43.448 32.814 45.343 1.00 0.00 C ATOM 154 CG LYS A 10 44.375 33.897 44.734 1.00 0.00 C ATOM 155 CD LYS A 10 44.912 33.556 43.327 1.00 0.00 C ATOM 156 CE LYS A 10 45.712 34.712 42.708 1.00 0.00 C ATOM 157 NZ LYS A 10 46.307 34.314 41.350 1.00 0.00 N ATOM 0 H LYS A 10 41.732 34.680 45.125 1.00 0.00 H new ATOM 0 HA LYS A 10 42.179 32.407 43.642 1.00 0.00 H new ATOM 0 HB2 LYS A 10 43.306 33.047 46.398 1.00 0.00 H new ATOM 0 HB3 LYS A 10 43.969 31.858 45.295 1.00 0.00 H new ATOM 0 HG2 LYS A 10 43.829 34.839 44.683 1.00 0.00 H new ATOM 0 HG3 LYS A 10 45.220 34.054 45.404 1.00 0.00 H new ATOM 0 HD2 LYS A 10 45.546 32.671 43.388 1.00 0.00 H new ATOM 0 HD3 LYS A 10 44.077 33.305 42.673 1.00 0.00 H new ATOM 0 HE2 LYS A 10 45.064 35.580 42.583 1.00 0.00 H new ATOM 0 HE3 LYS A 10 46.513 35.007 43.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 46.841 35.115 40.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 46.943 33.501 41.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 45.540 34.056 40.697 1.00 0.00 H new ATOM 171 N PRO A 11 41.623 30.147 45.002 1.00 0.00 N ATOM 172 CA PRO A 11 40.880 28.966 45.494 1.00 0.00 C ATOM 173 C PRO A 11 40.850 28.764 47.045 1.00 0.00 C ATOM 174 O PRO A 11 41.764 29.188 47.751 1.00 0.00 O ATOM 175 CB PRO A 11 41.603 27.756 44.869 1.00 0.00 C ATOM 176 CG PRO A 11 42.083 28.315 43.524 1.00 0.00 C ATOM 177 CD PRO A 11 42.495 29.746 43.890 1.00 0.00 C ATOM 0 HA PRO A 11 39.834 29.093 45.215 1.00 0.00 H new ATOM 0 HB2 PRO A 11 42.434 27.416 45.487 1.00 0.00 H new ATOM 0 HB3 PRO A 11 40.933 26.906 44.739 1.00 0.00 H new ATOM 0 HG2 PRO A 11 42.918 27.742 43.121 1.00 0.00 H new ATOM 0 HG3 PRO A 11 41.294 28.299 42.773 1.00 0.00 H new ATOM 0 HD2 PRO A 11 43.544 29.787 44.183 1.00 0.00 H new ATOM 0 HD3 PRO A 11 42.375 30.416 43.039 1.00 0.00 H new ATOM 185 N PRO A 12 39.831 27.958 47.563 1.00 0.00 N ATOM 186 CA PRO A 12 39.751 27.784 49.020 1.00 0.00 C ATOM 187 C PRO A 12 40.908 26.970 49.665 1.00 0.00 C ATOM 188 O PRO A 12 41.419 25.977 49.155 1.00 0.00 O ATOM 189 CB PRO A 12 38.408 27.095 49.305 1.00 0.00 C ATOM 190 CG PRO A 12 37.540 27.697 48.195 1.00 0.00 C ATOM 191 CD PRO A 12 38.505 27.675 47.000 1.00 0.00 C ATOM 0 HA PRO A 12 39.839 28.772 49.473 1.00 0.00 H new ATOM 0 HB2 PRO A 12 38.476 26.009 49.234 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.027 27.326 50.300 1.00 0.00 H new ATOM 0 HG2 PRO A 12 36.644 27.105 48.009 1.00 0.00 H new ATOM 0 HG3 PRO A 12 37.210 28.707 48.436 1.00 0.00 H new ATOM 0 HD2 PRO A 12 38.489 26.706 46.500 1.00 0.00 H new ATOM 0 HD3 PRO A 12 38.226 28.422 46.257 1.00 0.00 H new ATOM 199 N THR A 13 41.257 27.443 50.911 1.00 0.00 N ATOM 200 CA THR A 13 42.296 26.885 51.778 1.00 0.00 C ATOM 201 C THR A 13 41.723 27.134 53.214 1.00 0.00 C ATOM 202 O THR A 13 41.305 28.239 53.571 1.00 0.00 O ATOM 203 CB THR A 13 43.723 27.463 51.655 1.00 0.00 C ATOM 204 OG1 THR A 13 43.820 28.864 51.929 1.00 0.00 O ATOM 205 CG2 THR A 13 44.344 27.205 50.269 1.00 0.00 C ATOM 0 H THR A 13 40.793 28.249 51.329 1.00 0.00 H new ATOM 0 HA THR A 13 42.469 25.845 51.499 1.00 0.00 H new ATOM 0 HB THR A 13 44.278 26.927 52.425 1.00 0.00 H new ATOM 0 HG1 THR A 13 43.806 29.010 52.898 1.00 0.00 H new ATOM 0 HG21 THR A 13 45.347 27.631 50.235 1.00 0.00 H new ATOM 0 HG22 THR A 13 44.400 26.131 50.089 1.00 0.00 H new ATOM 0 HG23 THR A 13 43.726 27.670 49.501 1.00 0.00 H new ATOM 213 N THR A 14 41.696 26.050 54.068 1.00 0.00 N ATOM 214 CA THR A 14 40.970 26.079 55.344 1.00 0.00 C ATOM 215 C THR A 14 41.882 25.518 56.474 1.00 0.00 C ATOM 216 O THR A 14 42.691 24.613 56.272 1.00 0.00 O ATOM 217 CB THR A 14 39.668 25.276 55.213 1.00 0.00 C ATOM 218 OG1 THR A 14 39.812 23.868 55.012 1.00 0.00 O ATOM 219 CG2 THR A 14 38.841 25.803 54.013 1.00 0.00 C ATOM 0 H THR A 14 42.170 25.167 53.877 1.00 0.00 H new ATOM 0 HA THR A 14 40.706 27.104 55.603 1.00 0.00 H new ATOM 0 HB THR A 14 39.184 25.418 56.179 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.926 23.455 54.944 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.919 25.228 53.926 1.00 0.00 H new ATOM 0 HG22 THR A 14 38.600 26.854 54.171 1.00 0.00 H new ATOM 0 HG23 THR A 14 39.422 25.697 53.097 1.00 0.00 H new ATOM 227 N GLU A 15 41.720 26.096 57.718 1.00 0.00 N ATOM 228 CA GLU A 15 42.618 25.788 58.846 1.00 0.00 C ATOM 229 C GLU A 15 41.822 24.897 59.841 1.00 0.00 C ATOM 230 O GLU A 15 41.110 25.406 60.706 1.00 0.00 O ATOM 231 CB GLU A 15 43.196 27.042 59.575 1.00 0.00 C ATOM 232 CG GLU A 15 44.646 27.398 59.164 1.00 0.00 C ATOM 233 CD GLU A 15 45.663 26.458 59.821 1.00 0.00 C ATOM 234 OE1 GLU A 15 45.550 25.963 60.928 1.00 0.00 O ATOM 235 OE2 GLU A 15 46.727 26.266 59.036 1.00 0.00 O ATOM 0 H GLU A 15 40.982 26.764 57.941 1.00 0.00 H new ATOM 0 HA GLU A 15 43.494 25.276 58.447 1.00 0.00 H new ATOM 0 HB2 GLU A 15 42.551 27.897 59.371 1.00 0.00 H new ATOM 0 HB3 GLU A 15 43.166 26.870 60.651 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.743 27.340 58.080 1.00 0.00 H new ATOM 0 HG3 GLU A 15 44.864 28.427 59.449 1.00 0.00 H new ATOM 243 N THR A 16 41.981 23.518 59.727 1.00 0.00 N ATOM 244 CA THR A 16 41.489 22.651 60.814 1.00 0.00 C ATOM 245 C THR A 16 42.635 22.784 61.883 1.00 0.00 C ATOM 246 O THR A 16 43.725 22.232 61.739 1.00 0.00 O ATOM 247 CB THR A 16 41.209 21.152 60.517 1.00 0.00 C ATOM 248 OG1 THR A 16 40.185 21.058 59.521 1.00 0.00 O ATOM 249 CG2 THR A 16 40.770 20.417 61.796 1.00 0.00 C ATOM 0 H THR A 16 42.418 23.037 58.941 1.00 0.00 H new ATOM 0 HA THR A 16 40.490 22.982 61.096 1.00 0.00 H new ATOM 0 HB THR A 16 42.123 20.682 60.153 1.00 0.00 H new ATOM 0 HG1 THR A 16 40.003 20.115 59.326 1.00 0.00 H new ATOM 0 HG21 THR A 16 40.579 19.369 61.566 1.00 0.00 H new ATOM 0 HG22 THR A 16 41.559 20.486 62.545 1.00 0.00 H new ATOM 0 HG23 THR A 16 39.860 20.875 62.185 1.00 0.00 H new ATOM 257 N CYS A 17 42.355 23.547 63.004 1.00 0.00 N ATOM 258 CA CYS A 17 43.339 23.877 64.047 1.00 0.00 C ATOM 259 C CYS A 17 42.911 23.320 65.450 1.00 0.00 C ATOM 260 O CYS A 17 41.732 23.135 65.748 1.00 0.00 O ATOM 261 CB CYS A 17 43.506 25.389 64.115 1.00 0.00 C ATOM 262 SG CYS A 17 45.067 25.971 64.847 1.00 0.00 S ATOM 0 H CYS A 17 41.431 23.939 63.186 1.00 0.00 H new ATOM 0 HA CYS A 17 44.286 23.406 63.785 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.426 25.792 63.105 1.00 0.00 H new ATOM 0 HB3 CYS A 17 42.678 25.803 64.690 1.00 0.00 H new ATOM 267 N GLN A 18 43.931 23.108 66.349 1.00 0.00 N ATOM 268 CA GLN A 18 43.783 22.543 67.696 1.00 0.00 C ATOM 269 C GLN A 18 44.153 23.597 68.798 1.00 0.00 C ATOM 270 O GLN A 18 44.765 23.225 69.798 1.00 0.00 O ATOM 271 CB GLN A 18 44.548 21.195 67.852 1.00 0.00 C ATOM 272 CG GLN A 18 46.005 21.078 67.325 1.00 0.00 C ATOM 273 CD GLN A 18 46.844 22.347 67.521 1.00 0.00 C ATOM 274 OE1 GLN A 18 46.768 23.311 66.781 1.00 0.00 O ATOM 275 NE2 GLN A 18 47.720 22.309 68.548 1.00 0.00 N ATOM 0 H GLN A 18 44.899 23.340 66.128 1.00 0.00 H new ATOM 0 HA GLN A 18 42.731 22.300 67.842 1.00 0.00 H new ATOM 0 HB2 GLN A 18 44.564 20.949 68.914 1.00 0.00 H new ATOM 0 HB3 GLN A 18 43.958 20.425 67.355 1.00 0.00 H new ATOM 0 HG2 GLN A 18 46.498 20.248 67.831 1.00 0.00 H new ATOM 0 HG3 GLN A 18 45.978 20.833 66.263 1.00 0.00 H new ATOM 0 HE21 GLN A 18 47.762 21.488 69.152 1.00 0.00 H new ATOM 0 HE22 GLN A 18 48.339 23.101 68.719 1.00 0.00 H new ATOM 284 N GLU A 19 43.712 24.906 68.656 1.00 0.00 N ATOM 285 CA GLU A 19 44.098 25.950 69.632 1.00 0.00 C ATOM 286 C GLU A 19 42.884 26.605 70.372 1.00 0.00 C ATOM 287 O GLU A 19 41.758 26.640 69.883 1.00 0.00 O ATOM 288 CB GLU A 19 44.906 27.082 68.950 1.00 0.00 C ATOM 289 CG GLU A 19 46.293 26.633 68.438 1.00 0.00 C ATOM 290 CD GLU A 19 47.002 27.781 67.726 1.00 0.00 C ATOM 291 OE1 GLU A 19 47.196 28.895 68.190 1.00 0.00 O ATOM 292 OE2 GLU A 19 47.417 27.428 66.514 1.00 0.00 O ATOM 0 H GLU A 19 43.113 25.231 67.898 1.00 0.00 H new ATOM 0 HA GLU A 19 44.705 25.427 70.371 1.00 0.00 H new ATOM 0 HB2 GLU A 19 44.329 27.475 68.113 1.00 0.00 H new ATOM 0 HB3 GLU A 19 45.037 27.900 69.658 1.00 0.00 H new ATOM 0 HG2 GLU A 19 46.900 26.287 69.274 1.00 0.00 H new ATOM 0 HG3 GLU A 19 46.179 25.790 67.756 1.00 0.00 H new ATOM 300 N ASP A 20 43.245 27.205 71.566 1.00 0.00 N ATOM 301 CA ASP A 20 42.397 27.935 72.517 1.00 0.00 C ATOM 302 C ASP A 20 41.482 28.937 71.734 1.00 0.00 C ATOM 303 O ASP A 20 40.290 29.048 72.014 1.00 0.00 O ATOM 304 CB ASP A 20 41.778 27.204 73.724 1.00 0.00 C ATOM 305 CG ASP A 20 40.623 26.216 73.488 1.00 0.00 C ATOM 306 OD1 ASP A 20 40.900 25.228 72.802 1.00 0.00 O ATOM 307 OD2 ASP A 20 39.532 26.527 73.976 1.00 0.00 O ATOM 0 H ASP A 20 44.213 27.173 71.887 1.00 0.00 H new ATOM 0 HA ASP A 20 43.093 28.500 73.137 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.579 26.660 74.225 1.00 0.00 H new ATOM 0 HB3 ASP A 20 41.424 27.963 74.422 1.00 0.00 H new ATOM 312 N SER A 21 42.103 29.760 70.799 1.00 0.00 N ATOM 313 CA SER A 21 41.363 30.804 70.083 1.00 0.00 C ATOM 314 C SER A 21 41.617 30.788 68.541 1.00 0.00 C ATOM 315 O SER A 21 42.719 30.560 68.037 1.00 0.00 O ATOM 316 CB SER A 21 41.737 32.242 70.554 1.00 0.00 C ATOM 317 OG SER A 21 41.471 32.540 71.920 1.00 0.00 O ATOM 0 H SER A 21 43.091 29.698 70.552 1.00 0.00 H new ATOM 0 HA SER A 21 40.322 30.574 70.308 1.00 0.00 H new ATOM 0 HB2 SER A 21 42.800 32.399 70.369 1.00 0.00 H new ATOM 0 HB3 SER A 21 41.197 32.958 69.935 1.00 0.00 H new ATOM 0 HG SER A 21 41.742 33.462 72.113 1.00 0.00 H new ATOM 323 N CYS A 22 40.509 31.135 67.785 1.00 0.00 N ATOM 324 CA CYS A 22 40.629 31.429 66.368 1.00 0.00 C ATOM 325 C CYS A 22 39.791 32.702 66.065 1.00 0.00 C ATOM 326 O CYS A 22 38.697 32.938 66.576 1.00 0.00 O ATOM 327 CB CYS A 22 40.468 30.242 65.378 1.00 0.00 C ATOM 328 SG CYS A 22 38.904 29.448 64.837 1.00 0.00 S ATOM 0 H CYS A 22 39.561 31.207 68.156 1.00 0.00 H new ATOM 0 HA CYS A 22 41.678 31.642 66.160 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.959 30.564 64.460 1.00 0.00 H new ATOM 0 HB3 CYS A 22 41.071 29.435 65.796 1.00 0.00 H new ATOM 333 N TYR A 23 40.421 33.591 65.220 1.00 0.00 N ATOM 334 CA TYR A 23 40.017 34.988 65.100 1.00 0.00 C ATOM 335 C TYR A 23 39.556 35.405 63.684 1.00 0.00 C ATOM 336 O TYR A 23 39.875 34.775 62.675 1.00 0.00 O ATOM 337 CB TYR A 23 41.254 35.864 65.519 1.00 0.00 C ATOM 338 CG TYR A 23 42.408 35.693 64.554 1.00 0.00 C ATOM 339 CD1 TYR A 23 43.377 34.702 64.700 1.00 0.00 C ATOM 340 CD2 TYR A 23 42.504 36.524 63.443 1.00 0.00 C ATOM 341 CE1 TYR A 23 44.386 34.538 63.761 1.00 0.00 C ATOM 342 CE2 TYR A 23 43.523 36.401 62.514 1.00 0.00 C ATOM 343 CZ TYR A 23 44.473 35.389 62.644 1.00 0.00 C ATOM 344 OH TYR A 23 45.463 35.186 61.732 1.00 0.00 O ATOM 0 H TYR A 23 41.208 33.336 64.624 1.00 0.00 H new ATOM 0 HA TYR A 23 39.149 35.136 65.743 1.00 0.00 H new ATOM 0 HB2 TYR A 23 40.962 36.913 65.556 1.00 0.00 H new ATOM 0 HB3 TYR A 23 41.574 35.587 66.523 1.00 0.00 H new ATOM 0 HD1 TYR A 23 43.342 34.049 65.560 1.00 0.00 H new ATOM 0 HD2 TYR A 23 41.758 37.292 63.300 1.00 0.00 H new ATOM 0 HE1 TYR A 23 45.112 33.749 63.889 1.00 0.00 H new ATOM 0 HE2 TYR A 23 43.582 37.091 61.686 1.00 0.00 H new ATOM 0 HH TYR A 23 45.391 35.853 61.017 1.00 0.00 H new ATOM 354 N LYS A 24 38.786 36.557 63.693 1.00 0.00 N ATOM 355 CA LYS A 24 38.266 37.232 62.503 1.00 0.00 C ATOM 356 C LYS A 24 39.198 38.472 62.214 1.00 0.00 C ATOM 357 O LYS A 24 39.441 39.355 63.036 1.00 0.00 O ATOM 358 CB LYS A 24 36.816 37.743 62.649 1.00 0.00 C ATOM 359 CG LYS A 24 35.728 36.772 63.157 1.00 0.00 C ATOM 360 CD LYS A 24 35.263 35.601 62.267 1.00 0.00 C ATOM 361 CE LYS A 24 34.299 34.759 63.116 1.00 0.00 C ATOM 362 NZ LYS A 24 33.559 33.660 62.363 1.00 0.00 N ATOM 0 H LYS A 24 38.522 37.026 64.559 1.00 0.00 H new ATOM 0 HA LYS A 24 38.258 36.501 61.695 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.835 38.598 63.324 1.00 0.00 H new ATOM 0 HB3 LYS A 24 36.498 38.113 61.674 1.00 0.00 H new ATOM 0 HG2 LYS A 24 36.086 36.345 64.094 1.00 0.00 H new ATOM 0 HG3 LYS A 24 34.847 37.368 63.395 1.00 0.00 H new ATOM 0 HD2 LYS A 24 34.767 35.970 61.369 1.00 0.00 H new ATOM 0 HD3 LYS A 24 36.113 35.003 61.938 1.00 0.00 H new ATOM 0 HE2 LYS A 24 34.862 34.303 63.931 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.564 35.424 63.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.549 33.691 62.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.671 33.804 61.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.951 32.734 62.627 1.00 0.00 H new ATOM 376 N ASN A 25 39.694 38.524 60.933 1.00 0.00 N ATOM 377 CA ASN A 25 40.580 39.555 60.356 1.00 0.00 C ATOM 378 C ASN A 25 39.708 40.145 59.179 1.00 0.00 C ATOM 379 O ASN A 25 39.272 39.387 58.313 1.00 0.00 O ATOM 380 CB ASN A 25 41.828 38.861 59.856 1.00 0.00 C ATOM 381 CG ASN A 25 42.920 39.824 59.498 1.00 0.00 C ATOM 382 OD1 ASN A 25 42.847 40.273 58.232 1.00 0.00 O flip ATOM 383 ND2 ASN A 25 43.776 40.196 60.277 1.00 0.00 N flip ATOM 0 H ASN A 25 39.464 37.801 60.251 1.00 0.00 H new ATOM 0 HA ASN A 25 40.907 40.338 61.041 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.190 38.176 60.623 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.579 38.259 58.982 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.794 39.829 61.229 1.00 0.00 H new ATOM 0 HD22 ASN A 25 44.476 40.875 59.979 1.00 0.00 H new ATOM 390 N ILE A 26 39.488 41.527 59.118 1.00 0.00 N ATOM 391 CA ILE A 26 38.219 42.027 58.496 1.00 0.00 C ATOM 392 C ILE A 26 38.334 43.111 57.358 1.00 0.00 C ATOM 393 O ILE A 26 37.358 43.425 56.679 1.00 0.00 O ATOM 394 CB ILE A 26 37.315 42.584 59.638 1.00 0.00 C ATOM 395 CG1 ILE A 26 37.522 44.069 60.055 1.00 0.00 C ATOM 396 CG2 ILE A 26 37.328 41.686 60.900 1.00 0.00 C ATOM 397 CD1 ILE A 26 38.891 44.475 60.614 1.00 0.00 C ATOM 0 H ILE A 26 40.125 42.244 59.465 1.00 0.00 H new ATOM 0 HA ILE A 26 37.806 41.161 57.979 1.00 0.00 H new ATOM 0 HB ILE A 26 36.335 42.561 59.162 1.00 0.00 H new ATOM 0 HG12 ILE A 26 37.319 44.692 59.184 1.00 0.00 H new ATOM 0 HG13 ILE A 26 36.769 44.314 60.804 1.00 0.00 H new ATOM 0 HG21 ILE A 26 36.682 42.121 61.663 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.966 40.691 60.642 1.00 0.00 H new ATOM 0 HG23 ILE A 26 38.345 41.613 61.284 1.00 0.00 H new ATOM 0 HD11 ILE A 26 38.883 45.537 60.859 1.00 0.00 H new ATOM 0 HD12 ILE A 26 39.103 43.896 61.513 1.00 0.00 H new ATOM 0 HD13 ILE A 26 39.661 44.281 59.867 1.00 0.00 H new ATOM 409 N TRP A 27 39.566 43.689 57.199 1.00 0.00 N ATOM 410 CA TRP A 27 40.071 44.786 56.359 1.00 0.00 C ATOM 411 C TRP A 27 40.662 44.152 55.028 1.00 0.00 C ATOM 412 O TRP A 27 39.939 43.702 54.144 1.00 0.00 O ATOM 413 CB TRP A 27 41.150 45.596 57.199 1.00 0.00 C ATOM 414 CG TRP A 27 41.871 44.764 58.241 1.00 0.00 C ATOM 415 CD1 TRP A 27 42.129 43.372 58.137 1.00 0.00 C ATOM 416 CD2 TRP A 27 42.175 45.057 59.573 1.00 0.00 C ATOM 417 NE1 TRP A 27 42.408 42.795 59.339 1.00 0.00 N ATOM 418 CE2 TRP A 27 42.467 43.853 60.223 1.00 0.00 C ATOM 419 CE3 TRP A 27 42.052 46.216 60.378 1.00 0.00 C ATOM 420 CZ2 TRP A 27 42.633 43.698 61.560 1.00 0.00 C ATOM 421 CZ3 TRP A 27 42.209 46.099 61.752 1.00 0.00 C ATOM 422 CH2 TRP A 27 42.504 44.852 62.342 1.00 0.00 C ATOM 0 H TRP A 27 40.338 43.322 57.756 1.00 0.00 H new ATOM 0 HA TRP A 27 39.289 45.488 56.070 1.00 0.00 H new ATOM 0 HB2 TRP A 27 41.885 46.019 56.515 1.00 0.00 H new ATOM 0 HB3 TRP A 27 40.657 46.432 57.694 1.00 0.00 H new ATOM 0 HD1 TRP A 27 42.106 42.828 57.204 1.00 0.00 H new ATOM 0 HE1 TRP A 27 42.543 41.804 59.540 1.00 0.00 H new ATOM 0 HE3 TRP A 27 41.839 47.175 59.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 42.853 42.736 61.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 42.104 46.973 62.377 1.00 0.00 H new ATOM 0 HH2 TRP A 27 42.632 44.787 63.412 1.00 0.00 H new ATOM 433 N THR A 28 42.047 44.152 54.905 1.00 0.00 N ATOM 434 CA THR A 28 42.812 43.517 53.838 1.00 0.00 C ATOM 435 C THR A 28 42.812 44.320 52.479 1.00 0.00 C ATOM 436 O THR A 28 41.880 45.037 52.128 1.00 0.00 O ATOM 437 CB THR A 28 42.494 42.028 53.554 1.00 0.00 C ATOM 438 OG1 THR A 28 43.575 41.456 52.832 1.00 0.00 O ATOM 439 CG2 THR A 28 42.119 41.136 54.749 1.00 0.00 C ATOM 0 H THR A 28 42.646 44.619 55.586 1.00 0.00 H new ATOM 0 HA THR A 28 43.814 43.541 54.267 1.00 0.00 H new ATOM 0 HB THR A 28 41.570 42.055 52.976 1.00 0.00 H new ATOM 0 HG1 THR A 28 43.260 41.159 51.953 1.00 0.00 H new ATOM 0 HG21 THR A 28 41.924 40.122 54.399 1.00 0.00 H new ATOM 0 HG22 THR A 28 42.942 41.121 55.464 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.226 41.532 55.232 1.00 0.00 H new ATOM 447 N PHE A 29 43.938 44.131 51.681 1.00 0.00 N ATOM 448 CA PHE A 29 44.081 44.724 50.346 1.00 0.00 C ATOM 449 C PHE A 29 42.903 44.296 49.422 1.00 0.00 C ATOM 450 O PHE A 29 42.402 45.114 48.650 1.00 0.00 O ATOM 451 CB PHE A 29 45.450 44.349 49.662 1.00 0.00 C ATOM 452 CG PHE A 29 45.746 42.857 49.621 1.00 0.00 C ATOM 453 CD1 PHE A 29 45.253 42.035 48.603 1.00 0.00 C ATOM 454 CD2 PHE A 29 46.541 42.262 50.606 1.00 0.00 C ATOM 455 CE1 PHE A 29 45.500 40.661 48.588 1.00 0.00 C ATOM 456 CE2 PHE A 29 46.816 40.894 50.597 1.00 0.00 C ATOM 457 CZ PHE A 29 46.287 40.081 49.589 1.00 0.00 C ATOM 0 H PHE A 29 44.739 43.569 51.969 1.00 0.00 H new ATOM 0 HA PHE A 29 44.063 45.805 50.485 1.00 0.00 H new ATOM 0 HB2 PHE A 29 45.450 44.735 48.643 1.00 0.00 H new ATOM 0 HB3 PHE A 29 46.257 44.852 50.194 1.00 0.00 H new ATOM 0 HD1 PHE A 29 44.667 42.474 47.809 1.00 0.00 H new ATOM 0 HD2 PHE A 29 46.952 42.877 51.393 1.00 0.00 H new ATOM 0 HE1 PHE A 29 45.084 40.046 47.804 1.00 0.00 H new ATOM 0 HE2 PHE A 29 47.437 40.463 51.368 1.00 0.00 H new ATOM 0 HZ PHE A 29 46.484 39.019 49.583 1.00 0.00 H new ATOM 467 N ASP A 30 42.476 42.989 49.505 1.00 0.00 N ATOM 468 CA ASP A 30 41.444 42.366 48.693 1.00 0.00 C ATOM 469 C ASP A 30 39.987 42.702 49.189 1.00 0.00 C ATOM 470 O ASP A 30 39.056 42.201 48.558 1.00 0.00 O ATOM 471 CB ASP A 30 41.721 40.858 48.461 1.00 0.00 C ATOM 472 CG ASP A 30 42.116 39.927 49.641 1.00 0.00 C ATOM 473 OD1 ASP A 30 42.610 40.470 50.631 1.00 0.00 O ATOM 474 OD2 ASP A 30 41.965 38.716 49.447 1.00 0.00 O ATOM 0 H ASP A 30 42.879 42.339 50.179 1.00 0.00 H new ATOM 0 HA ASP A 30 41.494 42.818 47.703 1.00 0.00 H new ATOM 0 HB2 ASP A 30 40.825 40.435 48.006 1.00 0.00 H new ATOM 0 HB3 ASP A 30 42.517 40.790 47.720 1.00 0.00 H new ATOM 479 N ASN A 31 39.729 43.582 50.246 1.00 0.00 N ATOM 480 CA ASN A 31 38.378 43.996 50.658 1.00 0.00 C ATOM 481 C ASN A 31 37.650 42.703 51.129 1.00 0.00 C ATOM 482 O ASN A 31 36.676 42.283 50.502 1.00 0.00 O ATOM 483 CB ASN A 31 37.616 44.789 49.590 1.00 0.00 C ATOM 484 CG ASN A 31 38.035 46.248 49.548 1.00 0.00 C ATOM 485 OD1 ASN A 31 37.394 47.136 50.081 1.00 0.00 O ATOM 486 ND2 ASN A 31 39.171 46.502 48.860 1.00 0.00 N ATOM 0 H ASN A 31 40.469 44.001 50.809 1.00 0.00 H new ATOM 0 HA ASN A 31 38.435 44.716 51.474 1.00 0.00 H new ATOM 0 HB2 ASN A 31 37.787 44.336 48.613 1.00 0.00 H new ATOM 0 HB3 ASN A 31 36.546 44.726 49.788 1.00 0.00 H new ATOM 0 HD21 ASN A 31 39.513 47.459 48.776 1.00 0.00 H new ATOM 0 HD22 ASN A 31 39.686 45.736 48.425 1.00 0.00 H new ATOM 493 N ILE A 32 38.097 42.102 52.305 1.00 0.00 N ATOM 494 CA ILE A 32 37.546 40.790 52.610 1.00 0.00 C ATOM 495 C ILE A 32 37.805 40.313 54.077 1.00 0.00 C ATOM 496 O ILE A 32 38.672 40.821 54.784 1.00 0.00 O ATOM 497 CB ILE A 32 38.117 39.717 51.628 1.00 0.00 C ATOM 498 CG1 ILE A 32 37.255 38.470 51.386 1.00 0.00 C ATOM 499 CG2 ILE A 32 39.534 39.258 52.015 1.00 0.00 C ATOM 500 CD1 ILE A 32 35.914 38.758 50.687 1.00 0.00 C ATOM 0 H ILE A 32 38.768 42.487 52.970 1.00 0.00 H new ATOM 0 HA ILE A 32 36.468 40.897 52.492 1.00 0.00 H new ATOM 0 HB ILE A 32 38.125 40.269 50.688 1.00 0.00 H new ATOM 0 HG12 ILE A 32 37.822 37.761 50.782 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.057 37.987 52.343 1.00 0.00 H new ATOM 0 HG21 ILE A 32 39.883 38.513 51.300 1.00 0.00 H new ATOM 0 HG22 ILE A 32 40.209 40.114 52.006 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.515 38.822 53.014 1.00 0.00 H new ATOM 0 HD11 ILE A 32 35.366 37.825 50.553 1.00 0.00 H new ATOM 0 HD12 ILE A 32 35.324 39.441 51.298 1.00 0.00 H new ATOM 0 HD13 ILE A 32 36.101 39.212 49.714 1.00 0.00 H new ATOM 512 N ILE A 33 37.003 39.267 54.514 1.00 0.00 N ATOM 513 CA ILE A 33 37.193 38.643 55.839 1.00 0.00 C ATOM 514 C ILE A 33 38.023 37.349 55.532 1.00 0.00 C ATOM 515 O ILE A 33 37.516 36.361 55.000 1.00 0.00 O ATOM 516 CB ILE A 33 35.929 38.346 56.655 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.094 39.625 56.914 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.268 37.642 57.988 1.00 0.00 C ATOM 519 CD1 ILE A 33 33.687 39.379 57.479 1.00 0.00 C ATOM 0 H ILE A 33 36.244 38.865 53.965 1.00 0.00 H new ATOM 0 HA ILE A 33 37.694 39.348 56.502 1.00 0.00 H new ATOM 0 HB ILE A 33 35.322 37.668 56.056 1.00 0.00 H new ATOM 0 HG12 ILE A 33 35.641 40.263 57.608 1.00 0.00 H new ATOM 0 HG13 ILE A 33 35.002 40.176 55.978 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.349 37.447 58.540 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.775 36.699 57.783 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.919 38.283 58.582 1.00 0.00 H new ATOM 0 HD11 ILE A 33 33.182 40.334 57.626 1.00 0.00 H new ATOM 0 HD12 ILE A 33 33.115 38.770 56.779 1.00 0.00 H new ATOM 0 HD13 ILE A 33 33.764 38.859 58.434 1.00 0.00 H new ATOM 531 N ARG A 34 39.365 37.366 55.883 1.00 0.00 N ATOM 532 CA ARG A 34 40.279 36.280 55.487 1.00 0.00 C ATOM 533 C ARG A 34 41.235 36.074 56.702 1.00 0.00 C ATOM 534 O ARG A 34 42.051 36.924 57.050 1.00 0.00 O ATOM 535 CB ARG A 34 40.995 36.600 54.173 1.00 0.00 C ATOM 536 CG ARG A 34 41.848 35.480 53.565 1.00 0.00 C ATOM 537 CD ARG A 34 42.233 35.796 52.104 1.00 0.00 C ATOM 538 NE ARG A 34 42.895 37.076 51.770 1.00 0.00 N ATOM 539 CZ ARG A 34 43.831 37.711 52.448 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.334 37.237 53.552 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.278 38.827 51.964 1.00 0.00 N ATOM 0 H ARG A 34 39.803 38.110 56.425 1.00 0.00 H new ATOM 0 HA ARG A 34 39.753 35.350 55.271 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.245 36.893 53.439 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.636 37.466 54.337 1.00 0.00 H new ATOM 0 HG2 ARG A 34 42.751 35.345 54.160 1.00 0.00 H new ATOM 0 HG3 ARG A 34 41.298 34.540 53.603 1.00 0.00 H new ATOM 0 HD2 ARG A 34 42.887 34.994 51.761 1.00 0.00 H new ATOM 0 HD3 ARG A 34 41.321 35.739 51.510 1.00 0.00 H new ATOM 0 HE ARG A 34 42.589 37.524 50.906 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.005 36.345 53.921 1.00 0.00 H new ATOM 0 HH12 ARG A 34 45.057 37.758 54.048 1.00 0.00 H new ATOM 0 HH21 ARG A 34 43.906 39.187 51.085 1.00 0.00 H new ATOM 0 HH22 ARG A 34 45.002 39.345 52.462 1.00 0.00 H new ATOM 555 N ARG A 35 41.103 34.852 57.367 1.00 0.00 N ATOM 556 CA ARG A 35 41.476 34.764 58.775 1.00 0.00 C ATOM 557 C ARG A 35 41.857 33.332 59.277 1.00 0.00 C ATOM 558 O ARG A 35 42.094 32.435 58.470 1.00 0.00 O ATOM 559 CB ARG A 35 40.326 35.457 59.551 1.00 0.00 C ATOM 560 CG ARG A 35 38.849 35.090 59.244 1.00 0.00 C ATOM 561 CD ARG A 35 38.311 33.691 59.575 1.00 0.00 C ATOM 562 NE ARG A 35 36.913 33.433 59.088 1.00 0.00 N ATOM 563 CZ ARG A 35 36.450 33.645 57.860 1.00 0.00 C ATOM 564 NH1 ARG A 35 37.238 33.675 56.824 1.00 0.00 N ATOM 565 NH2 ARG A 35 35.175 33.855 57.692 1.00 0.00 N ATOM 0 H ARG A 35 40.759 33.988 56.947 1.00 0.00 H new ATOM 0 HA ARG A 35 42.421 35.276 58.955 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.492 35.270 60.612 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.432 36.531 59.396 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.222 35.809 59.771 1.00 0.00 H new ATOM 0 HG3 ARG A 35 38.692 35.252 58.178 1.00 0.00 H new ATOM 0 HD2 ARG A 35 38.978 32.946 59.140 1.00 0.00 H new ATOM 0 HD3 ARG A 35 38.338 33.551 60.656 1.00 0.00 H new ATOM 0 HE ARG A 35 36.253 33.057 59.768 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.241 33.534 56.942 1.00 0.00 H new ATOM 0 HH12 ARG A 35 36.852 33.840 55.894 1.00 0.00 H new ATOM 0 HH21 ARG A 35 34.548 33.855 58.496 1.00 0.00 H new ATOM 0 HH22 ARG A 35 34.804 34.019 56.756 1.00 0.00 H new ATOM 579 N GLY A 36 42.028 33.160 60.653 1.00 0.00 N ATOM 580 CA GLY A 36 42.615 31.861 61.035 1.00 0.00 C ATOM 581 C GLY A 36 42.855 31.600 62.541 1.00 0.00 C ATOM 582 O GLY A 36 42.265 32.276 63.374 1.00 0.00 O ATOM 0 H GLY A 36 41.797 33.817 61.398 1.00 0.00 H new ATOM 0 HA2 GLY A 36 41.963 31.073 60.657 1.00 0.00 H new ATOM 0 HA3 GLY A 36 43.570 31.759 60.520 1.00 0.00 H new ATOM 586 N CYS A 37 43.709 30.550 62.880 1.00 0.00 N ATOM 587 CA CYS A 37 43.941 30.171 64.293 1.00 0.00 C ATOM 588 C CYS A 37 45.231 30.849 64.862 1.00 0.00 C ATOM 589 O CYS A 37 46.347 30.697 64.370 1.00 0.00 O ATOM 590 CB CYS A 37 43.976 28.641 64.592 1.00 0.00 C ATOM 591 SG CYS A 37 45.291 27.710 63.753 1.00 0.00 S ATOM 0 H CYS A 37 44.219 29.986 62.201 1.00 0.00 H new ATOM 0 HA CYS A 37 43.055 30.546 64.805 1.00 0.00 H new ATOM 0 HB2 CYS A 37 44.085 28.501 65.667 1.00 0.00 H new ATOM 0 HB3 CYS A 37 43.015 28.211 64.311 1.00 0.00 H new ATOM 596 N GLY A 38 45.020 31.708 65.938 1.00 0.00 N ATOM 597 CA GLY A 38 46.179 32.312 66.581 1.00 0.00 C ATOM 598 C GLY A 38 45.623 33.004 67.843 1.00 0.00 C ATOM 599 O GLY A 38 45.350 32.377 68.862 1.00 0.00 O ATOM 0 H GLY A 38 44.112 31.960 66.327 1.00 0.00 H new ATOM 0 HA2 GLY A 38 46.923 31.559 66.840 1.00 0.00 H new ATOM 0 HA3 GLY A 38 46.667 33.029 65.921 1.00 0.00 H new ATOM 603 N CYS A 39 45.397 34.371 67.738 1.00 0.00 N ATOM 604 CA CYS A 39 44.900 35.089 68.905 1.00 0.00 C ATOM 605 C CYS A 39 46.022 35.300 69.968 1.00 0.00 C ATOM 606 O CYS A 39 47.203 35.446 69.659 1.00 0.00 O ATOM 607 CB CYS A 39 44.240 36.433 68.573 1.00 0.00 C ATOM 608 SG CYS A 39 43.311 37.077 70.003 1.00 0.00 S ATOM 0 H CYS A 39 45.550 34.934 66.901 1.00 0.00 H new ATOM 0 HA CYS A 39 44.122 34.448 69.320 1.00 0.00 H new ATOM 0 HB2 CYS A 39 45.003 37.153 68.276 1.00 0.00 H new ATOM 0 HB3 CYS A 39 43.568 36.312 67.723 1.00 0.00 H new ATOM 613 N PHE A 40 45.581 35.367 71.276 1.00 0.00 N ATOM 614 CA PHE A 40 46.476 35.524 72.419 1.00 0.00 C ATOM 615 C PHE A 40 47.283 36.865 72.264 1.00 0.00 C ATOM 616 O PHE A 40 48.464 36.918 72.604 1.00 0.00 O ATOM 617 CB PHE A 40 47.361 34.290 72.741 1.00 0.00 C ATOM 618 CG PHE A 40 46.613 32.972 72.596 1.00 0.00 C ATOM 619 CD1 PHE A 40 45.524 32.628 73.406 1.00 0.00 C ATOM 620 CD2 PHE A 40 46.981 32.082 71.581 1.00 0.00 C ATOM 621 CE1 PHE A 40 44.816 31.441 73.198 1.00 0.00 C ATOM 622 CE2 PHE A 40 46.290 30.891 71.364 1.00 0.00 C ATOM 623 CZ PHE A 40 45.210 30.564 72.183 1.00 0.00 C ATOM 0 H PHE A 40 44.596 35.311 71.534 1.00 0.00 H new ATOM 0 HA PHE A 40 45.853 35.590 73.311 1.00 0.00 H new ATOM 0 HB2 PHE A 40 48.226 34.286 72.078 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.740 34.377 73.759 1.00 0.00 H new ATOM 0 HD1 PHE A 40 45.226 33.291 74.205 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.823 32.324 70.949 1.00 0.00 H new ATOM 0 HE1 PHE A 40 43.966 31.202 73.820 1.00 0.00 H new ATOM 0 HE2 PHE A 40 46.589 30.226 70.567 1.00 0.00 H new ATOM 0 HZ PHE A 40 44.679 29.635 72.034 1.00 0.00 H new ATOM 735 N GLY A 48 45.489 44.986 66.357 1.00 0.00 N ATOM 736 CA GLY A 48 45.328 43.520 66.378 1.00 0.00 C ATOM 737 C GLY A 48 43.910 43.087 65.890 1.00 0.00 C ATOM 738 O GLY A 48 42.962 43.867 65.955 1.00 0.00 O ATOM 0 HA2 GLY A 48 46.087 43.062 65.744 1.00 0.00 H new ATOM 0 HA3 GLY A 48 45.493 43.150 67.390 1.00 0.00 H new ATOM 742 N PRO A 49 43.760 41.759 65.510 1.00 0.00 N ATOM 743 CA PRO A 49 42.443 41.233 65.104 1.00 0.00 C ATOM 744 C PRO A 49 41.416 41.098 66.264 1.00 0.00 C ATOM 745 O PRO A 49 41.727 41.284 67.438 1.00 0.00 O ATOM 746 CB PRO A 49 42.740 39.821 64.570 1.00 0.00 C ATOM 747 CG PRO A 49 44.116 40.040 63.947 1.00 0.00 C ATOM 748 CD PRO A 49 44.812 40.865 65.024 1.00 0.00 C ATOM 0 HA PRO A 49 41.992 41.921 64.389 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.759 39.074 65.363 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.002 39.491 63.839 1.00 0.00 H new ATOM 0 HG2 PRO A 49 44.632 39.100 63.753 1.00 0.00 H new ATOM 0 HG3 PRO A 49 44.056 40.572 62.998 1.00 0.00 H new ATOM 0 HD2 PRO A 49 45.202 40.234 65.823 1.00 0.00 H new ATOM 0 HD3 PRO A 49 45.656 41.423 64.618 1.00 0.00 H new ATOM 756 N TYR A 50 40.154 40.717 65.857 1.00 0.00 N ATOM 757 CA TYR A 50 39.049 40.502 66.814 1.00 0.00 C ATOM 758 C TYR A 50 38.952 38.934 66.972 1.00 0.00 C ATOM 759 O TYR A 50 38.725 38.204 66.009 1.00 0.00 O ATOM 760 CB TYR A 50 37.689 41.197 66.446 1.00 0.00 C ATOM 761 CG TYR A 50 36.506 40.259 66.606 1.00 0.00 C ATOM 762 CD1 TYR A 50 36.247 39.593 67.804 1.00 0.00 C ATOM 763 CD2 TYR A 50 35.664 39.983 65.530 1.00 0.00 C ATOM 764 CE1 TYR A 50 35.295 38.588 67.894 1.00 0.00 C ATOM 765 CE2 TYR A 50 34.672 39.019 65.613 1.00 0.00 C ATOM 766 CZ TYR A 50 34.508 38.261 66.788 1.00 0.00 C ATOM 767 OH TYR A 50 33.592 37.253 66.802 1.00 0.00 O ATOM 0 H TYR A 50 39.898 40.559 64.882 1.00 0.00 H new ATOM 0 HA TYR A 50 39.266 40.993 67.762 1.00 0.00 H new ATOM 0 HB2 TYR A 50 37.546 42.071 67.081 1.00 0.00 H new ATOM 0 HB3 TYR A 50 37.732 41.554 65.417 1.00 0.00 H new ATOM 0 HD1 TYR A 50 36.804 39.868 68.687 1.00 0.00 H new ATOM 0 HD2 TYR A 50 35.788 40.534 64.609 1.00 0.00 H new ATOM 0 HE1 TYR A 50 35.162 38.056 68.824 1.00 0.00 H new ATOM 0 HE2 TYR A 50 34.019 38.848 64.770 1.00 0.00 H new ATOM 0 HH TYR A 50 33.154 37.197 65.927 1.00 0.00 H new ATOM 777 N CYS A 51 39.089 38.400 68.254 1.00 0.00 N ATOM 778 CA CYS A 51 39.245 36.948 68.466 1.00 0.00 C ATOM 779 C CYS A 51 38.063 36.279 69.240 1.00 0.00 C ATOM 780 O CYS A 51 37.345 36.903 70.016 1.00 0.00 O ATOM 781 CB CYS A 51 40.557 36.677 69.238 1.00 0.00 C ATOM 782 SG CYS A 51 41.793 38.003 68.991 1.00 0.00 S ATOM 0 H CYS A 51 39.091 38.956 69.109 1.00 0.00 H new ATOM 0 HA CYS A 51 39.261 36.503 67.471 1.00 0.00 H new ATOM 0 HB2 CYS A 51 40.337 36.581 70.301 1.00 0.00 H new ATOM 0 HB3 CYS A 51 40.978 35.726 68.913 1.00 0.00 H new ATOM 787 N CYS A 52 37.929 34.923 69.005 1.00 0.00 N ATOM 788 CA CYS A 52 36.839 34.111 69.547 1.00 0.00 C ATOM 789 C CYS A 52 37.361 32.740 70.095 1.00 0.00 C ATOM 790 O CYS A 52 38.444 32.296 69.720 1.00 0.00 O ATOM 791 CB CYS A 52 35.838 33.840 68.434 1.00 0.00 C ATOM 792 SG CYS A 52 34.167 33.404 68.998 1.00 0.00 S ATOM 0 H CYS A 52 38.586 34.392 68.433 1.00 0.00 H new ATOM 0 HA CYS A 52 36.379 34.657 70.371 1.00 0.00 H new ATOM 0 HB2 CYS A 52 35.773 34.725 67.801 1.00 0.00 H new ATOM 0 HB3 CYS A 52 36.219 33.030 67.812 1.00 0.00 H new ATOM 797 N GLU A 53 36.531 32.033 70.949 1.00 0.00 N ATOM 798 CA GLU A 53 36.965 30.745 71.527 1.00 0.00 C ATOM 799 C GLU A 53 35.827 29.682 71.383 1.00 0.00 C ATOM 800 O GLU A 53 35.545 28.909 72.296 1.00 0.00 O ATOM 801 CB GLU A 53 37.581 30.884 72.937 1.00 0.00 C ATOM 802 CG GLU A 53 36.709 31.439 74.087 1.00 0.00 C ATOM 803 CD GLU A 53 36.308 32.888 73.854 1.00 0.00 C ATOM 804 OE1 GLU A 53 35.222 33.258 73.440 1.00 0.00 O ATOM 805 OE2 GLU A 53 37.301 33.726 74.168 1.00 0.00 O ATOM 0 H GLU A 53 35.599 32.337 71.230 1.00 0.00 H new ATOM 0 HA GLU A 53 37.806 30.364 70.948 1.00 0.00 H new ATOM 0 HB2 GLU A 53 37.935 29.899 73.239 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.458 31.525 72.851 1.00 0.00 H new ATOM 0 HG2 GLU A 53 35.813 30.827 74.189 1.00 0.00 H new ATOM 0 HG3 GLU A 53 37.257 31.362 75.026 1.00 0.00 H new ATOM 813 N SER A 54 35.256 29.593 70.128 1.00 0.00 N ATOM 814 CA SER A 54 34.215 28.636 69.738 1.00 0.00 C ATOM 815 C SER A 54 34.492 28.200 68.254 1.00 0.00 C ATOM 816 O SER A 54 35.127 28.927 67.488 1.00 0.00 O ATOM 817 CB SER A 54 32.760 29.154 69.871 1.00 0.00 C ATOM 818 OG SER A 54 31.830 28.107 69.608 1.00 0.00 O ATOM 0 H SER A 54 35.531 30.209 69.363 1.00 0.00 H new ATOM 0 HA SER A 54 34.277 27.801 70.436 1.00 0.00 H new ATOM 0 HB2 SER A 54 32.599 29.548 70.874 1.00 0.00 H new ATOM 0 HB3 SER A 54 32.596 29.977 69.175 1.00 0.00 H new ATOM 0 HG SER A 54 30.917 28.451 69.698 1.00 0.00 H new ATOM 824 N ASP A 55 34.038 26.950 67.861 1.00 0.00 N ATOM 825 CA ASP A 55 34.282 26.461 66.494 1.00 0.00 C ATOM 826 C ASP A 55 33.490 27.406 65.500 1.00 0.00 C ATOM 827 O ASP A 55 32.293 27.650 65.643 1.00 0.00 O ATOM 828 CB ASP A 55 33.883 24.978 66.382 1.00 0.00 C ATOM 829 CG ASP A 55 34.240 24.290 65.047 1.00 0.00 C ATOM 830 OD1 ASP A 55 35.176 24.766 64.397 1.00 0.00 O ATOM 831 OD2 ASP A 55 33.542 23.314 64.759 1.00 0.00 O ATOM 0 H ASP A 55 33.525 26.306 68.463 1.00 0.00 H new ATOM 0 HA ASP A 55 35.340 26.500 66.233 1.00 0.00 H new ATOM 0 HB2 ASP A 55 34.362 24.429 67.193 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.807 24.897 66.535 1.00 0.00 H new ATOM 836 N LYS A 56 34.228 27.993 64.468 1.00 0.00 N ATOM 837 CA LYS A 56 33.749 28.922 63.446 1.00 0.00 C ATOM 838 C LYS A 56 33.493 30.349 64.030 1.00 0.00 C ATOM 839 O LYS A 56 34.057 31.323 63.532 1.00 0.00 O ATOM 840 CB LYS A 56 32.557 28.505 62.551 1.00 0.00 C ATOM 841 CG LYS A 56 32.860 27.301 61.630 1.00 0.00 C ATOM 842 CD LYS A 56 32.671 25.943 62.324 1.00 0.00 C ATOM 843 CE LYS A 56 32.987 24.691 61.484 1.00 0.00 C ATOM 844 NZ LYS A 56 33.706 23.663 62.368 1.00 0.00 N ATOM 0 H LYS A 56 35.222 27.793 64.357 1.00 0.00 H new ATOM 0 HA LYS A 56 34.594 28.911 62.757 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.706 28.259 63.186 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.261 29.355 61.936 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.210 27.348 60.756 1.00 0.00 H new ATOM 0 HG3 LYS A 56 33.886 27.377 61.269 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.300 25.924 63.214 1.00 0.00 H new ATOM 0 HD3 LYS A 56 31.637 25.874 62.663 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.067 24.265 61.083 1.00 0.00 H new ATOM 0 HE3 LYS A 56 33.612 24.958 60.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 33.893 22.801 61.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.606 24.062 62.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 33.107 23.428 63.185 1.00 0.00 H new ATOM 858 N CYS A 57 32.564 30.466 65.044 1.00 0.00 N ATOM 859 CA CYS A 57 32.071 31.729 65.592 1.00 0.00 C ATOM 860 C CYS A 57 31.352 32.476 64.414 1.00 0.00 C ATOM 861 O CYS A 57 31.620 33.655 64.193 1.00 0.00 O ATOM 862 CB CYS A 57 33.077 32.624 66.348 1.00 0.00 C ATOM 863 SG CYS A 57 33.742 31.788 67.812 1.00 0.00 S ATOM 0 H CYS A 57 32.146 29.651 65.493 1.00 0.00 H new ATOM 0 HA CYS A 57 31.391 31.483 66.407 1.00 0.00 H new ATOM 0 HB2 CYS A 57 33.895 32.897 65.681 1.00 0.00 H new ATOM 0 HB3 CYS A 57 32.587 33.550 66.648 1.00 0.00 H new ATOM 868 N ASN A 58 30.403 31.782 63.670 1.00 0.00 N ATOM 869 CA ASN A 58 29.634 32.368 62.566 1.00 0.00 C ATOM 870 C ASN A 58 30.671 32.723 61.444 1.00 0.00 C ATOM 871 O ASN A 58 31.147 33.853 61.351 1.00 0.00 O ATOM 872 CB ASN A 58 28.739 33.555 62.963 1.00 0.00 C ATOM 873 CG ASN A 58 27.853 33.937 61.783 1.00 0.00 C ATOM 874 OD1 ASN A 58 26.991 33.200 61.340 1.00 0.00 O ATOM 875 ND2 ASN A 58 28.088 35.163 61.268 1.00 0.00 N ATOM 0 H ASN A 58 30.174 30.803 63.845 1.00 0.00 H new ATOM 0 HA ASN A 58 28.903 31.643 62.209 1.00 0.00 H new ATOM 0 HB2 ASN A 58 28.124 33.290 63.823 1.00 0.00 H new ATOM 0 HB3 ASN A 58 29.354 34.405 63.261 1.00 0.00 H new ATOM 0 HD21 ASN A 58 27.534 35.500 60.481 1.00 0.00 H new ATOM 0 HD22 ASN A 58 28.819 35.752 61.666 1.00 0.00 H new ATOM 882 N LEU A 59 31.034 31.690 60.591 1.00 0.00 N ATOM 883 CA LEU A 59 31.943 31.804 59.432 1.00 0.00 C ATOM 884 C LEU A 59 33.425 32.109 59.952 1.00 0.00 C ATOM 885 O LEU A 59 33.804 33.288 59.900 1.00 0.00 O ATOM 886 CB LEU A 59 31.520 32.863 58.390 1.00 0.00 C ATOM 887 CG LEU A 59 30.100 32.953 57.786 1.00 0.00 C ATOM 888 CD1 LEU A 59 30.051 34.157 56.828 1.00 0.00 C ATOM 889 CD2 LEU A 59 29.658 31.662 57.083 1.00 0.00 C ATOM 890 OXT LEU A 59 34.062 31.143 60.378 1.00 0.00 O ATOM 0 H LEU A 59 30.680 30.742 60.715 1.00 0.00 H new ATOM 0 HA LEU A 59 31.899 30.847 58.911 1.00 0.00 H new ATOM 0 HB2 LEU A 59 31.722 33.834 58.842 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.204 32.754 57.548 1.00 0.00 H new ATOM 0 HG LEU A 59 29.391 33.092 58.602 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.055 34.235 56.393 1.00 0.00 H new ATOM 0 HD12 LEU A 59 30.279 35.070 57.379 1.00 0.00 H new ATOM 0 HD13 LEU A 59 30.785 34.020 56.033 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.653 31.792 56.681 1.00 0.00 H new ATOM 0 HD22 LEU A 59 30.347 31.436 56.269 1.00 0.00 H new ATOM 0 HD23 LEU A 59 29.659 30.839 57.798 1.00 0.00 H new