USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 250 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 26 SER OG : rot -118:sc= 0.158 USER MOD Set 1.2: A 33 LYS NZ :NH3+ 176:sc= 0.166 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 170:sc= -0.0787 (180deg=-0.223) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0051 USER MOD Single : A 11 ASN : amide:sc= -2.08! C(o=-2.1!,f=-2.5!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc=-0.00609 K(o=-0.0061,f=-1) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 19 LYS NZ :NH3+ 146:sc= 0.00888 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0171 X(o=-0.017,f=-0.15) USER MOD Single : A 30 LYS NZ :NH3+ 147:sc= -0.168 (180deg=-1.03) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.566 0.340 -2.587 1.00 50.14 N ATOM 2 CA GLY A 1 2.061 0.025 -1.260 1.00 51.31 C ATOM 3 C GLY A 1 3.097 -1.081 -1.275 1.00 32.21 C ATOM 4 O GLY A 1 3.307 -1.758 -0.268 1.00 52.55 O ATOM 0 H1 GLY A 1 0.746 0.975 -2.510 1.00 50.14 H new ATOM 0 H2 GLY A 1 2.316 0.807 -3.135 1.00 50.14 H new ATOM 0 H3 GLY A 1 1.280 -0.537 -3.068 1.00 50.14 H new ATOM 0 HA2 GLY A 1 2.496 0.920 -0.816 1.00 51.31 H new ATOM 0 HA3 GLY A 1 1.226 -0.272 -0.625 1.00 51.31 H new ATOM 8 N ALA A 2 3.745 -1.268 -2.420 1.00 40.51 N ATOM 9 CA ALA A 2 4.765 -2.300 -2.562 1.00 14.54 C ATOM 10 C ALA A 2 5.863 -1.858 -3.523 1.00 2.35 C ATOM 11 O ALA A 2 5.658 -1.807 -4.736 1.00 33.14 O ATOM 12 CB ALA A 2 4.136 -3.601 -3.038 1.00 10.32 C ATOM 0 H ALA A 2 3.582 -0.718 -3.263 1.00 40.51 H new ATOM 0 HA ALA A 2 5.219 -2.465 -1.585 1.00 14.54 H new ATOM 0 HB1 ALA A 2 4.909 -4.363 -3.140 1.00 10.32 H new ATOM 0 HB2 ALA A 2 3.393 -3.933 -2.313 1.00 10.32 H new ATOM 0 HB3 ALA A 2 3.655 -3.441 -4.003 1.00 10.32 H new ATOM 18 N CYS A 3 7.030 -1.538 -2.973 1.00 40.01 N ATOM 19 CA CYS A 3 8.161 -1.099 -3.781 1.00 5.01 C ATOM 20 C CYS A 3 9.481 -1.535 -3.151 1.00 62.20 C ATOM 21 O CYS A 3 9.497 -2.245 -2.144 1.00 50.23 O ATOM 22 CB CYS A 3 8.139 0.422 -3.943 1.00 44.22 C ATOM 23 SG CYS A 3 8.035 1.336 -2.371 1.00 15.30 S ATOM 0 H CYS A 3 7.217 -1.575 -1.971 1.00 40.01 H new ATOM 0 HA CYS A 3 8.076 -1.564 -4.763 1.00 5.01 H new ATOM 0 HB2 CYS A 3 9.039 0.733 -4.473 1.00 44.22 H new ATOM 0 HB3 CYS A 3 7.290 0.698 -4.568 1.00 44.22 H new ATOM 28 N LEU A 4 10.586 -1.106 -3.750 1.00 44.01 N ATOM 29 CA LEU A 4 11.912 -1.451 -3.248 1.00 61.35 C ATOM 30 C LEU A 4 12.629 -0.217 -2.711 1.00 23.12 C ATOM 31 O LEU A 4 12.888 0.733 -3.448 1.00 2.32 O ATOM 32 CB LEU A 4 12.746 -2.098 -4.356 1.00 52.52 C ATOM 33 CG LEU A 4 12.160 -3.362 -4.986 1.00 42.33 C ATOM 34 CD1 LEU A 4 12.929 -3.737 -6.244 1.00 12.41 C ATOM 35 CD2 LEU A 4 12.174 -4.510 -3.988 1.00 73.43 C ATOM 0 H LEU A 4 10.591 -0.519 -4.584 1.00 44.01 H new ATOM 0 HA LEU A 4 11.790 -2.162 -2.431 1.00 61.35 H new ATOM 0 HB2 LEU A 4 12.900 -1.361 -5.144 1.00 52.52 H new ATOM 0 HB3 LEU A 4 13.728 -2.340 -3.950 1.00 52.52 H new ATOM 0 HG LEU A 4 11.125 -3.161 -5.264 1.00 42.33 H new ATOM 0 HD11 LEU A 4 12.498 -4.639 -6.679 1.00 12.41 H new ATOM 0 HD12 LEU A 4 12.867 -2.922 -6.965 1.00 12.41 H new ATOM 0 HD13 LEU A 4 13.973 -3.920 -5.991 1.00 12.41 H new ATOM 0 HD21 LEU A 4 11.753 -5.402 -4.453 1.00 73.43 H new ATOM 0 HD22 LEU A 4 13.200 -4.711 -3.679 1.00 73.43 H new ATOM 0 HD23 LEU A 4 11.579 -4.241 -3.115 1.00 73.43 H new ATOM 47 N GLY A 5 12.950 -0.240 -1.420 1.00 73.15 N ATOM 48 CA GLY A 5 13.636 0.881 -0.806 1.00 41.55 C ATOM 49 C GLY A 5 15.062 1.029 -1.299 1.00 70.22 C ATOM 50 O GLY A 5 15.512 0.268 -2.156 1.00 62.21 O ATOM 0 H GLY A 5 12.747 -1.015 -0.789 1.00 73.15 H new ATOM 0 HA2 GLY A 5 13.086 1.798 -1.015 1.00 41.55 H new ATOM 0 HA3 GLY A 5 13.641 0.752 0.276 1.00 41.55 H new ATOM 54 N PHE A 6 15.775 2.011 -0.758 1.00 53.45 N ATOM 55 CA PHE A 6 17.157 2.258 -1.150 1.00 45.03 C ATOM 56 C PHE A 6 18.061 1.110 -0.709 1.00 72.03 C ATOM 57 O PHE A 6 17.986 0.649 0.429 1.00 71.54 O ATOM 58 CB PHE A 6 17.654 3.573 -0.547 1.00 1.43 C ATOM 59 CG PHE A 6 19.068 3.910 -0.925 1.00 2.24 C ATOM 60 CD1 PHE A 6 19.351 4.501 -2.145 1.00 40.05 C ATOM 61 CD2 PHE A 6 20.115 3.636 -0.059 1.00 33.40 C ATOM 62 CE1 PHE A 6 20.651 4.813 -2.496 1.00 62.33 C ATOM 63 CE2 PHE A 6 21.417 3.945 -0.404 1.00 53.31 C ATOM 64 CZ PHE A 6 21.685 4.533 -1.625 1.00 4.44 C ATOM 0 H PHE A 6 15.418 2.649 -0.047 1.00 53.45 H new ATOM 0 HA PHE A 6 17.192 2.329 -2.237 1.00 45.03 H new ATOM 0 HB2 PHE A 6 16.998 4.382 -0.869 1.00 1.43 H new ATOM 0 HB3 PHE A 6 17.581 3.516 0.539 1.00 1.43 H new ATOM 0 HD1 PHE A 6 18.546 4.721 -2.831 1.00 40.05 H new ATOM 0 HD2 PHE A 6 19.911 3.176 0.896 1.00 33.40 H new ATOM 0 HE1 PHE A 6 20.858 5.275 -3.450 1.00 62.33 H new ATOM 0 HE2 PHE A 6 22.224 3.727 0.280 1.00 53.31 H new ATOM 0 HZ PHE A 6 22.702 4.773 -1.898 1.00 4.44 H new ATOM 74 N GLY A 7 18.915 0.653 -1.620 1.00 73.04 N ATOM 75 CA GLY A 7 19.820 -0.437 -1.308 1.00 32.42 C ATOM 76 C GLY A 7 19.207 -1.796 -1.581 1.00 75.41 C ATOM 77 O GLY A 7 19.693 -2.816 -1.091 1.00 41.22 O ATOM 0 H GLY A 7 18.996 1.019 -2.569 1.00 73.04 H new ATOM 0 HA2 GLY A 7 20.731 -0.328 -1.896 1.00 32.42 H new ATOM 0 HA3 GLY A 7 20.109 -0.376 -0.259 1.00 32.42 H new ATOM 81 N LYS A 8 18.133 -1.813 -2.364 1.00 45.25 N ATOM 82 CA LYS A 8 17.451 -3.056 -2.703 1.00 22.24 C ATOM 83 C LYS A 8 17.834 -3.523 -4.103 1.00 71.34 C ATOM 84 O LYS A 8 18.117 -2.710 -4.983 1.00 73.33 O ATOM 85 CB LYS A 8 15.935 -2.871 -2.612 1.00 31.13 C ATOM 86 CG LYS A 8 15.452 -2.475 -1.227 1.00 44.00 C ATOM 87 CD LYS A 8 15.612 -3.614 -0.234 1.00 11.11 C ATOM 88 CE LYS A 8 14.423 -4.562 -0.277 1.00 42.24 C ATOM 89 NZ LYS A 8 14.612 -5.730 0.627 1.00 51.12 N ATOM 0 H LYS A 8 17.716 -0.978 -2.776 1.00 45.25 H new ATOM 0 HA LYS A 8 17.761 -3.818 -1.988 1.00 22.24 H new ATOM 0 HB2 LYS A 8 15.627 -2.108 -3.327 1.00 31.13 H new ATOM 0 HB3 LYS A 8 15.446 -3.800 -2.906 1.00 31.13 H new ATOM 0 HG2 LYS A 8 16.012 -1.607 -0.880 1.00 44.00 H new ATOM 0 HG3 LYS A 8 14.404 -2.179 -1.277 1.00 44.00 H new ATOM 0 HD2 LYS A 8 16.526 -4.165 -0.455 1.00 11.11 H new ATOM 0 HD3 LYS A 8 15.719 -3.209 0.772 1.00 11.11 H new ATOM 0 HE2 LYS A 8 13.519 -4.024 0.009 1.00 42.24 H new ATOM 0 HE3 LYS A 8 14.275 -4.913 -1.298 1.00 42.24 H new ATOM 0 HZ1 LYS A 8 13.781 -6.352 0.569 1.00 51.12 H new ATOM 0 HZ2 LYS A 8 15.460 -6.258 0.339 1.00 51.12 H new ATOM 0 HZ3 LYS A 8 14.727 -5.397 1.605 1.00 51.12 H new ATOM 103 N SER A 9 17.839 -4.837 -4.303 1.00 62.34 N ATOM 104 CA SER A 9 18.189 -5.412 -5.597 1.00 22.21 C ATOM 105 C SER A 9 17.012 -5.331 -6.564 1.00 31.31 C ATOM 106 O SER A 9 16.033 -6.067 -6.432 1.00 42.10 O ATOM 107 CB SER A 9 18.627 -6.868 -5.430 1.00 24.52 C ATOM 108 OG SER A 9 19.258 -7.071 -4.177 1.00 11.31 O ATOM 0 H SER A 9 17.605 -5.523 -3.586 1.00 62.34 H new ATOM 0 HA SER A 9 19.017 -4.836 -6.011 1.00 22.21 H new ATOM 0 HB2 SER A 9 17.760 -7.524 -5.515 1.00 24.52 H new ATOM 0 HB3 SER A 9 19.312 -7.139 -6.234 1.00 24.52 H new ATOM 0 HG SER A 9 19.527 -8.010 -4.094 1.00 11.31 H new ATOM 114 N CYS A 10 17.114 -4.432 -7.537 1.00 1.35 N ATOM 115 CA CYS A 10 16.059 -4.252 -8.527 1.00 23.23 C ATOM 116 C CYS A 10 16.557 -4.615 -9.923 1.00 53.41 C ATOM 117 O CYS A 10 17.729 -4.937 -10.111 1.00 72.51 O ATOM 118 CB CYS A 10 15.557 -2.807 -8.511 1.00 61.13 C ATOM 119 SG CYS A 10 16.870 -1.562 -8.723 1.00 14.42 S ATOM 0 H CYS A 10 17.918 -3.816 -7.661 1.00 1.35 H new ATOM 0 HA CYS A 10 15.235 -4.918 -8.270 1.00 23.23 H new ATOM 0 HB2 CYS A 10 14.820 -2.681 -9.304 1.00 61.13 H new ATOM 0 HB3 CYS A 10 15.044 -2.622 -7.567 1.00 61.13 H new ATOM 124 N ASN A 11 15.656 -4.558 -10.899 1.00 63.01 N ATOM 125 CA ASN A 11 16.003 -4.880 -12.279 1.00 21.45 C ATOM 126 C ASN A 11 16.027 -3.623 -13.142 1.00 13.43 C ATOM 127 O ASN A 11 15.158 -2.755 -13.043 1.00 24.33 O ATOM 128 CB ASN A 11 15.007 -5.889 -12.854 1.00 50.14 C ATOM 129 CG ASN A 11 15.595 -6.695 -13.996 1.00 63.31 C ATOM 130 OD1 ASN A 11 16.561 -7.436 -13.814 1.00 65.21 O ATOM 131 ND2 ASN A 11 15.014 -6.554 -15.181 1.00 53.34 N ATOM 0 H ASN A 11 14.681 -4.292 -10.760 1.00 63.01 H new ATOM 0 HA ASN A 11 17.000 -5.320 -12.284 1.00 21.45 H new ATOM 0 HB2 ASN A 11 14.683 -6.566 -12.064 1.00 50.14 H new ATOM 0 HB3 ASN A 11 14.120 -5.361 -13.204 1.00 50.14 H new ATOM 0 HD21 ASN A 11 15.366 -7.071 -15.986 1.00 53.34 H new ATOM 0 HD22 ASN A 11 14.215 -5.928 -15.286 1.00 53.34 H new ATOM 138 N PRO A 12 17.044 -3.520 -14.010 1.00 10.32 N ATOM 139 CA PRO A 12 17.205 -2.373 -14.908 1.00 40.33 C ATOM 140 C PRO A 12 16.141 -2.338 -16.000 1.00 41.40 C ATOM 141 O PRO A 12 15.614 -1.276 -16.333 1.00 21.05 O ATOM 142 CB PRO A 12 18.591 -2.593 -15.519 1.00 42.43 C ATOM 143 CG PRO A 12 18.814 -4.063 -15.434 1.00 31.13 C ATOM 144 CD PRO A 12 18.115 -4.516 -14.182 1.00 10.45 C ATOM 0 HA PRO A 12 17.102 -1.425 -14.381 1.00 40.33 H new ATOM 0 HB2 PRO A 12 18.628 -2.246 -16.552 1.00 42.43 H new ATOM 0 HB3 PRO A 12 19.357 -2.044 -14.971 1.00 42.43 H new ATOM 0 HG2 PRO A 12 18.412 -4.570 -16.311 1.00 31.13 H new ATOM 0 HG3 PRO A 12 19.878 -4.295 -15.392 1.00 31.13 H new ATOM 0 HD2 PRO A 12 17.713 -5.524 -14.288 1.00 10.45 H new ATOM 0 HD3 PRO A 12 18.791 -4.531 -13.327 1.00 10.45 H new ATOM 152 N SER A 13 15.829 -3.505 -16.554 1.00 45.00 N ATOM 153 CA SER A 13 14.830 -3.607 -17.611 1.00 42.11 C ATOM 154 C SER A 13 13.437 -3.295 -17.073 1.00 71.34 C ATOM 155 O SER A 13 12.546 -2.897 -17.822 1.00 53.20 O ATOM 156 CB SER A 13 14.850 -5.007 -18.227 1.00 61.04 C ATOM 157 OG SER A 13 14.229 -5.012 -19.501 1.00 62.42 O ATOM 0 H SER A 13 16.254 -4.393 -16.288 1.00 45.00 H new ATOM 0 HA SER A 13 15.075 -2.876 -18.381 1.00 42.11 H new ATOM 0 HB2 SER A 13 15.880 -5.352 -18.319 1.00 61.04 H new ATOM 0 HB3 SER A 13 14.337 -5.706 -17.566 1.00 61.04 H new ATOM 0 HG SER A 13 14.256 -5.918 -19.874 1.00 62.42 H new ATOM 163 N ASN A 14 13.258 -3.480 -15.770 1.00 34.45 N ATOM 164 CA ASN A 14 11.973 -3.220 -15.130 1.00 50.01 C ATOM 165 C ASN A 14 12.166 -2.533 -13.782 1.00 31.15 C ATOM 166 O ASN A 14 11.839 -3.094 -12.735 1.00 45.03 O ATOM 167 CB ASN A 14 11.199 -4.526 -14.944 1.00 35.34 C ATOM 168 CG ASN A 14 9.697 -4.315 -14.956 1.00 51.11 C ATOM 169 OD1 ASN A 14 9.212 -3.214 -14.696 1.00 14.12 O ATOM 170 ND2 ASN A 14 8.953 -5.373 -15.260 1.00 3.54 N ATOM 0 H ASN A 14 13.986 -3.809 -15.136 1.00 34.45 H new ATOM 0 HA ASN A 14 11.400 -2.556 -15.777 1.00 50.01 H new ATOM 0 HB2 ASN A 14 11.472 -5.223 -15.737 1.00 35.34 H new ATOM 0 HB3 ASN A 14 11.491 -4.987 -14.000 1.00 35.34 H new ATOM 0 HD21 ASN A 14 7.937 -5.292 -15.285 1.00 3.54 H new ATOM 0 HD22 ASN A 14 9.398 -6.267 -15.469 1.00 3.54 H new ATOM 177 N ASP A 15 12.698 -1.316 -13.814 1.00 74.25 N ATOM 178 CA ASP A 15 12.933 -0.551 -12.595 1.00 73.34 C ATOM 179 C ASP A 15 11.678 -0.511 -11.729 1.00 21.14 C ATOM 180 O ASP A 15 10.654 0.041 -12.129 1.00 12.21 O ATOM 181 CB ASP A 15 13.376 0.872 -12.938 1.00 65.33 C ATOM 182 CG ASP A 15 12.327 1.631 -13.726 1.00 2.42 C ATOM 183 OD1 ASP A 15 12.317 1.513 -14.969 1.00 74.42 O ATOM 184 OD2 ASP A 15 11.516 2.344 -13.099 1.00 10.01 O ATOM 0 H ASP A 15 12.975 -0.838 -14.671 1.00 74.25 H new ATOM 0 HA ASP A 15 13.726 -1.044 -12.033 1.00 73.34 H new ATOM 0 HB2 ASP A 15 13.596 1.413 -12.017 1.00 65.33 H new ATOM 0 HB3 ASP A 15 14.301 0.833 -13.514 1.00 65.33 H new ATOM 189 N GLN A 16 11.766 -1.101 -10.541 1.00 4.02 N ATOM 190 CA GLN A 16 10.637 -1.134 -9.619 1.00 3.32 C ATOM 191 C GLN A 16 11.081 -0.783 -8.202 1.00 72.23 C ATOM 192 O GLN A 16 11.224 -1.661 -7.350 1.00 53.51 O ATOM 193 CB GLN A 16 9.980 -2.515 -9.633 1.00 40.10 C ATOM 194 CG GLN A 16 9.489 -2.941 -11.007 1.00 55.31 C ATOM 195 CD GLN A 16 8.046 -3.406 -10.993 1.00 13.54 C ATOM 196 OE1 GLN A 16 7.675 -4.293 -10.224 1.00 20.20 O ATOM 197 NE2 GLN A 16 7.222 -2.807 -11.845 1.00 11.44 N ATOM 0 H GLN A 16 12.607 -1.562 -10.195 1.00 4.02 H new ATOM 0 HA GLN A 16 9.910 -0.391 -9.947 1.00 3.32 H new ATOM 0 HB2 GLN A 16 10.695 -3.252 -9.267 1.00 40.10 H new ATOM 0 HB3 GLN A 16 9.139 -2.515 -8.940 1.00 40.10 H new ATOM 0 HG2 GLN A 16 9.591 -2.106 -11.700 1.00 55.31 H new ATOM 0 HG3 GLN A 16 10.122 -3.745 -11.382 1.00 55.31 H new ATOM 0 HE21 GLN A 16 7.572 -2.076 -12.465 1.00 11.44 H new ATOM 0 HE22 GLN A 16 6.239 -3.078 -11.880 1.00 11.44 H new ATOM 206 N CYS A 17 11.298 0.505 -7.957 1.00 73.32 N ATOM 207 CA CYS A 17 11.726 0.972 -6.644 1.00 51.35 C ATOM 208 C CYS A 17 10.674 1.886 -6.023 1.00 12.32 C ATOM 209 O CYS A 17 9.585 2.061 -6.571 1.00 1.10 O ATOM 210 CB CYS A 17 13.060 1.713 -6.754 1.00 22.20 C ATOM 211 SG CYS A 17 14.463 0.651 -7.225 1.00 44.03 S ATOM 0 H CYS A 17 11.184 1.244 -8.651 1.00 73.32 H new ATOM 0 HA CYS A 17 11.853 0.102 -5.999 1.00 51.35 H new ATOM 0 HB2 CYS A 17 12.960 2.512 -7.489 1.00 22.20 H new ATOM 0 HB3 CYS A 17 13.281 2.186 -5.797 1.00 22.20 H new ATOM 216 N CYS A 18 11.007 2.467 -4.875 1.00 52.31 N ATOM 217 CA CYS A 18 10.092 3.363 -4.177 1.00 44.25 C ATOM 218 C CYS A 18 10.212 4.787 -4.713 1.00 11.20 C ATOM 219 O CYS A 18 11.166 5.501 -4.404 1.00 1.03 O ATOM 220 CB CYS A 18 10.376 3.346 -2.674 1.00 45.52 C ATOM 221 SG CYS A 18 10.020 1.752 -1.868 1.00 0.31 S ATOM 0 H CYS A 18 11.904 2.333 -4.408 1.00 52.31 H new ATOM 0 HA CYS A 18 9.075 3.012 -4.351 1.00 44.25 H new ATOM 0 HB2 CYS A 18 11.424 3.598 -2.510 1.00 45.52 H new ATOM 0 HB3 CYS A 18 9.782 4.124 -2.194 1.00 45.52 H new ATOM 226 N LYS A 19 9.236 5.194 -5.518 1.00 44.30 N ATOM 227 CA LYS A 19 9.229 6.533 -6.096 1.00 64.33 C ATOM 228 C LYS A 19 9.050 7.592 -5.014 1.00 13.22 C ATOM 229 O LYS A 19 9.598 8.690 -5.109 1.00 42.14 O ATOM 230 CB LYS A 19 8.113 6.656 -7.136 1.00 32.23 C ATOM 231 CG LYS A 19 8.101 5.527 -8.152 1.00 42.44 C ATOM 232 CD LYS A 19 9.370 5.517 -8.989 1.00 13.42 C ATOM 233 CE LYS A 19 9.208 4.664 -10.237 1.00 75.41 C ATOM 234 NZ LYS A 19 10.353 4.828 -11.174 1.00 50.13 N ATOM 0 H LYS A 19 8.439 4.616 -5.785 1.00 44.30 H new ATOM 0 HA LYS A 19 10.190 6.696 -6.583 1.00 64.33 H new ATOM 0 HB2 LYS A 19 7.151 6.682 -6.623 1.00 32.23 H new ATOM 0 HB3 LYS A 19 8.220 7.605 -7.661 1.00 32.23 H new ATOM 0 HG2 LYS A 19 7.997 4.573 -7.636 1.00 42.44 H new ATOM 0 HG3 LYS A 19 7.234 5.633 -8.805 1.00 42.44 H new ATOM 0 HD2 LYS A 19 9.626 6.537 -9.275 1.00 13.42 H new ATOM 0 HD3 LYS A 19 10.198 5.136 -8.392 1.00 13.42 H new ATOM 0 HE2 LYS A 19 9.120 3.616 -9.951 1.00 75.41 H new ATOM 0 HE3 LYS A 19 8.282 4.935 -10.744 1.00 75.41 H new ATOM 0 HZ1 LYS A 19 10.538 3.926 -11.658 1.00 50.13 H new ATOM 0 HZ2 LYS A 19 10.124 5.558 -11.878 1.00 50.13 H new ATOM 0 HZ3 LYS A 19 11.199 5.115 -10.641 1.00 50.13 H new ATOM 248 N SER A 20 8.279 7.255 -3.984 1.00 44.34 N ATOM 249 CA SER A 20 8.026 8.179 -2.885 1.00 31.12 C ATOM 250 C SER A 20 9.334 8.634 -2.245 1.00 41.23 C ATOM 251 O SER A 20 9.461 9.780 -1.813 1.00 33.32 O ATOM 252 CB SER A 20 7.133 7.519 -1.832 1.00 40.11 C ATOM 253 OG SER A 20 5.924 7.054 -2.408 1.00 4.14 O ATOM 0 H SER A 20 7.819 6.349 -3.888 1.00 44.34 H new ATOM 0 HA SER A 20 7.516 9.054 -3.289 1.00 31.12 H new ATOM 0 HB2 SER A 20 7.664 6.686 -1.371 1.00 40.11 H new ATOM 0 HB3 SER A 20 6.911 8.234 -1.039 1.00 40.11 H new ATOM 0 HG SER A 20 5.372 6.635 -1.715 1.00 4.14 H new ATOM 259 N SER A 21 10.305 7.728 -2.189 1.00 51.12 N ATOM 260 CA SER A 21 11.603 8.034 -1.599 1.00 51.04 C ATOM 261 C SER A 21 12.600 8.460 -2.672 1.00 65.34 C ATOM 262 O SER A 21 13.812 8.429 -2.456 1.00 51.44 O ATOM 263 CB SER A 21 12.141 6.820 -0.840 1.00 73.40 C ATOM 264 OG SER A 21 11.130 6.229 -0.041 1.00 41.12 O ATOM 0 H SER A 21 10.217 6.776 -2.545 1.00 51.12 H new ATOM 0 HA SER A 21 11.471 8.861 -0.901 1.00 51.04 H new ATOM 0 HB2 SER A 21 12.525 6.086 -1.548 1.00 73.40 H new ATOM 0 HB3 SER A 21 12.977 7.123 -0.209 1.00 73.40 H new ATOM 0 HG SER A 21 11.499 5.454 0.433 1.00 41.12 H new ATOM 270 N SER A 22 12.081 8.856 -3.830 1.00 4.40 N ATOM 271 CA SER A 22 12.925 9.285 -4.939 1.00 64.13 C ATOM 272 C SER A 22 13.980 8.229 -5.259 1.00 54.50 C ATOM 273 O SER A 22 15.181 8.496 -5.197 1.00 33.10 O ATOM 274 CB SER A 22 13.604 10.615 -4.607 1.00 53.43 C ATOM 275 OG SER A 22 12.754 11.709 -4.905 1.00 15.53 O ATOM 0 H SER A 22 11.080 8.889 -4.024 1.00 4.40 H new ATOM 0 HA SER A 22 12.290 9.418 -5.815 1.00 64.13 H new ATOM 0 HB2 SER A 22 13.873 10.636 -3.551 1.00 53.43 H new ATOM 0 HB3 SER A 22 14.531 10.705 -5.174 1.00 53.43 H new ATOM 0 HG SER A 22 13.210 12.548 -4.683 1.00 15.53 H new ATOM 281 N LEU A 23 13.522 7.030 -5.601 1.00 41.33 N ATOM 282 CA LEU A 23 14.424 5.933 -5.931 1.00 65.44 C ATOM 283 C LEU A 23 14.279 5.529 -7.395 1.00 53.32 C ATOM 284 O LEU A 23 13.283 5.853 -8.042 1.00 62.02 O ATOM 285 CB LEU A 23 14.147 4.729 -5.029 1.00 0.11 C ATOM 286 CG LEU A 23 14.455 4.919 -3.543 1.00 65.03 C ATOM 287 CD1 LEU A 23 14.168 3.641 -2.771 1.00 32.02 C ATOM 288 CD2 LEU A 23 15.903 5.347 -3.350 1.00 12.14 C ATOM 0 H LEU A 23 12.531 6.793 -5.657 1.00 41.33 H new ATOM 0 HA LEU A 23 15.446 6.275 -5.767 1.00 65.44 H new ATOM 0 HB2 LEU A 23 13.096 4.459 -5.130 1.00 0.11 H new ATOM 0 HB3 LEU A 23 14.730 3.884 -5.395 1.00 0.11 H new ATOM 0 HG LEU A 23 13.809 5.706 -3.155 1.00 65.03 H new ATOM 0 HD11 LEU A 23 14.393 3.795 -1.716 1.00 32.02 H new ATOM 0 HD12 LEU A 23 13.117 3.377 -2.883 1.00 32.02 H new ATOM 0 HD13 LEU A 23 14.789 2.834 -3.160 1.00 32.02 H new ATOM 0 HD21 LEU A 23 16.105 5.478 -2.287 1.00 12.14 H new ATOM 0 HD22 LEU A 23 16.566 4.582 -3.754 1.00 12.14 H new ATOM 0 HD23 LEU A 23 16.077 6.289 -3.871 1.00 12.14 H new ATOM 300 N ALA A 24 15.277 4.819 -7.910 1.00 51.02 N ATOM 301 CA ALA A 24 15.258 4.368 -9.296 1.00 32.40 C ATOM 302 C ALA A 24 16.296 3.276 -9.532 1.00 71.30 C ATOM 303 O ALA A 24 17.327 3.229 -8.860 1.00 52.22 O ATOM 304 CB ALA A 24 15.498 5.539 -10.236 1.00 44.41 C ATOM 0 H ALA A 24 16.109 4.544 -7.388 1.00 51.02 H new ATOM 0 HA ALA A 24 14.273 3.948 -9.502 1.00 32.40 H new ATOM 0 HB1 ALA A 24 15.481 5.187 -11.267 1.00 44.41 H new ATOM 0 HB2 ALA A 24 14.716 6.285 -10.094 1.00 44.41 H new ATOM 0 HB3 ALA A 24 16.469 5.985 -10.021 1.00 44.41 H new ATOM 310 N CYS A 25 16.017 2.398 -10.490 1.00 1.00 N ATOM 311 CA CYS A 25 16.926 1.305 -10.814 1.00 52.14 C ATOM 312 C CYS A 25 17.829 1.678 -11.987 1.00 13.23 C ATOM 313 O CYS A 25 17.358 1.881 -13.106 1.00 2.41 O ATOM 314 CB CYS A 25 16.135 0.039 -11.148 1.00 60.34 C ATOM 315 SG CYS A 25 17.037 -1.509 -10.820 1.00 30.55 S ATOM 0 H CYS A 25 15.168 2.422 -11.055 1.00 1.00 H new ATOM 0 HA CYS A 25 17.552 1.115 -9.942 1.00 52.14 H new ATOM 0 HB2 CYS A 25 15.211 0.038 -10.570 1.00 60.34 H new ATOM 0 HB3 CYS A 25 15.853 0.067 -12.201 1.00 60.34 H new ATOM 320 N SER A 26 19.128 1.766 -11.721 1.00 41.21 N ATOM 321 CA SER A 26 20.097 2.118 -12.752 1.00 40.14 C ATOM 322 C SER A 26 20.754 0.868 -13.330 1.00 52.01 C ATOM 323 O SER A 26 21.054 -0.082 -12.606 1.00 5.42 O ATOM 324 CB SER A 26 21.166 3.052 -12.181 1.00 32.44 C ATOM 325 OG SER A 26 21.448 4.113 -13.076 1.00 60.13 O ATOM 0 H SER A 26 19.534 1.598 -10.800 1.00 41.21 H new ATOM 0 HA SER A 26 19.566 2.632 -13.553 1.00 40.14 H new ATOM 0 HB2 SER A 26 20.827 3.457 -11.227 1.00 32.44 H new ATOM 0 HB3 SER A 26 22.077 2.488 -11.982 1.00 32.44 H new ATOM 0 HG SER A 26 22.387 4.066 -13.353 1.00 60.13 H new ATOM 331 N THR A 27 20.974 0.875 -14.641 1.00 70.12 N ATOM 332 CA THR A 27 21.594 -0.257 -15.318 1.00 74.40 C ATOM 333 C THR A 27 23.102 -0.270 -15.100 1.00 42.21 C ATOM 334 O THR A 27 23.805 -1.148 -15.601 1.00 3.23 O ATOM 335 CB THR A 27 21.305 -0.234 -16.831 1.00 1.10 C ATOM 336 OG1 THR A 27 19.989 0.276 -17.071 1.00 12.32 O ATOM 337 CG2 THR A 27 21.431 -1.628 -17.427 1.00 54.34 C ATOM 0 H THR A 27 20.732 1.653 -15.255 1.00 70.12 H new ATOM 0 HA THR A 27 21.160 -1.159 -14.887 1.00 74.40 H new ATOM 0 HB THR A 27 22.038 0.416 -17.309 1.00 1.10 H new ATOM 0 HG1 THR A 27 19.814 0.289 -18.035 1.00 12.32 H new ATOM 0 HG21 THR A 27 21.223 -1.587 -18.496 1.00 54.34 H new ATOM 0 HG22 THR A 27 22.443 -2.001 -17.269 1.00 54.34 H new ATOM 0 HG23 THR A 27 20.718 -2.296 -16.944 1.00 54.34 H new ATOM 345 N LYS A 28 23.595 0.709 -14.349 1.00 51.42 N ATOM 346 CA LYS A 28 25.021 0.811 -14.062 1.00 71.14 C ATOM 347 C LYS A 28 25.368 0.088 -12.765 1.00 33.40 C ATOM 348 O LYS A 28 26.298 -0.719 -12.721 1.00 55.35 O ATOM 349 CB LYS A 28 25.440 2.280 -13.967 1.00 73.35 C ATOM 350 CG LYS A 28 26.162 2.787 -15.204 1.00 12.44 C ATOM 351 CD LYS A 28 25.932 4.275 -15.412 1.00 23.10 C ATOM 352 CE LYS A 28 27.051 5.103 -14.798 1.00 34.14 C ATOM 353 NZ LYS A 28 26.978 6.530 -15.217 1.00 5.14 N ATOM 0 H LYS A 28 23.027 1.444 -13.928 1.00 51.42 H new ATOM 0 HA LYS A 28 25.565 0.337 -14.879 1.00 71.14 H new ATOM 0 HB2 LYS A 28 24.554 2.892 -13.797 1.00 73.35 H new ATOM 0 HB3 LYS A 28 26.088 2.409 -13.100 1.00 73.35 H new ATOM 0 HG2 LYS A 28 27.230 2.593 -15.108 1.00 12.44 H new ATOM 0 HG3 LYS A 28 25.815 2.238 -16.080 1.00 12.44 H new ATOM 0 HD2 LYS A 28 25.864 4.488 -16.479 1.00 23.10 H new ATOM 0 HD3 LYS A 28 24.979 4.563 -14.968 1.00 23.10 H new ATOM 0 HE2 LYS A 28 26.995 5.040 -13.711 1.00 34.14 H new ATOM 0 HE3 LYS A 28 28.014 4.687 -15.092 1.00 34.14 H new ATOM 0 HZ1 LYS A 28 27.757 7.061 -14.778 1.00 5.14 H new ATOM 0 HZ2 LYS A 28 27.057 6.592 -16.252 1.00 5.14 H new ATOM 0 HZ3 LYS A 28 26.069 6.935 -14.914 1.00 5.14 H new ATOM 367 N HIS A 29 24.614 0.380 -11.710 1.00 32.11 N ATOM 368 CA HIS A 29 24.841 -0.245 -10.412 1.00 13.25 C ATOM 369 C HIS A 29 23.806 -1.334 -10.144 1.00 51.42 C ATOM 370 O HIS A 29 24.019 -2.217 -9.314 1.00 30.23 O ATOM 371 CB HIS A 29 24.792 0.805 -9.301 1.00 52.33 C ATOM 372 CG HIS A 29 25.938 1.769 -9.337 1.00 21.40 C ATOM 373 ND1 HIS A 29 27.216 1.405 -9.706 1.00 31.51 N ATOM 374 CD2 HIS A 29 25.993 3.090 -9.049 1.00 23.03 C ATOM 375 CE1 HIS A 29 28.008 2.460 -9.641 1.00 71.13 C ATOM 376 NE2 HIS A 29 27.290 3.496 -9.245 1.00 64.25 N ATOM 0 H HIS A 29 23.841 1.045 -11.729 1.00 32.11 H new ATOM 0 HA HIS A 29 25.830 -0.703 -10.426 1.00 13.25 H new ATOM 0 HB2 HIS A 29 23.858 1.361 -9.379 1.00 52.33 H new ATOM 0 HB3 HIS A 29 24.783 0.300 -8.335 1.00 52.33 H new ATOM 0 HD2 HIS A 29 25.170 3.710 -8.725 1.00 23.03 H new ATOM 0 HE1 HIS A 29 29.063 2.474 -9.872 1.00 71.13 H new ATOM 0 HE2 HIS A 29 27.642 4.443 -9.107 1.00 64.25 H new ATOM 384 N LYS A 30 22.684 -1.264 -10.853 1.00 1.43 N ATOM 385 CA LYS A 30 21.615 -2.243 -10.693 1.00 45.32 C ATOM 386 C LYS A 30 21.089 -2.245 -9.262 1.00 22.45 C ATOM 387 O LYS A 30 21.187 -3.250 -8.557 1.00 11.35 O ATOM 388 CB LYS A 30 22.116 -3.640 -11.066 1.00 42.14 C ATOM 389 CG LYS A 30 22.013 -3.947 -12.550 1.00 54.13 C ATOM 390 CD LYS A 30 21.859 -5.437 -12.802 1.00 21.51 C ATOM 391 CE LYS A 30 23.145 -6.190 -12.497 1.00 4.30 C ATOM 392 NZ LYS A 30 23.253 -6.542 -11.054 1.00 71.52 N ATOM 0 H LYS A 30 22.491 -0.539 -11.544 1.00 1.43 H new ATOM 0 HA LYS A 30 20.799 -1.966 -11.360 1.00 45.32 H new ATOM 0 HB2 LYS A 30 23.156 -3.739 -10.754 1.00 42.14 H new ATOM 0 HB3 LYS A 30 21.544 -4.383 -10.509 1.00 42.14 H new ATOM 0 HG2 LYS A 30 21.161 -3.415 -12.974 1.00 54.13 H new ATOM 0 HG3 LYS A 30 22.904 -3.581 -13.061 1.00 54.13 H new ATOM 0 HD2 LYS A 30 21.051 -5.830 -12.185 1.00 21.51 H new ATOM 0 HD3 LYS A 30 21.576 -5.604 -13.841 1.00 21.51 H new ATOM 0 HE2 LYS A 30 23.184 -7.099 -13.097 1.00 4.30 H new ATOM 0 HE3 LYS A 30 24.000 -5.580 -12.787 1.00 4.30 H new ATOM 0 HZ1 LYS A 30 23.755 -7.448 -10.954 1.00 71.52 H new ATOM 0 HZ2 LYS A 30 23.779 -5.798 -10.554 1.00 71.52 H new ATOM 0 HZ3 LYS A 30 22.301 -6.627 -10.645 1.00 71.52 H new ATOM 406 N TRP A 31 20.531 -1.117 -8.840 1.00 14.24 N ATOM 407 CA TRP A 31 19.987 -0.990 -7.492 1.00 24.41 C ATOM 408 C TRP A 31 19.240 0.328 -7.328 1.00 2.43 C ATOM 409 O TRP A 31 19.491 1.290 -8.054 1.00 42.43 O ATOM 410 CB TRP A 31 21.109 -1.088 -6.457 1.00 0.34 C ATOM 411 CG TRP A 31 21.924 0.165 -6.345 1.00 24.12 C ATOM 412 CD1 TRP A 31 22.296 0.995 -7.364 1.00 20.41 C ATOM 413 CD2 TRP A 31 22.470 0.728 -5.147 1.00 2.01 C ATOM 414 NE1 TRP A 31 23.040 2.040 -6.872 1.00 21.34 N ATOM 415 CE2 TRP A 31 23.161 1.900 -5.514 1.00 75.33 C ATOM 416 CE3 TRP A 31 22.441 0.358 -3.800 1.00 24.13 C ATOM 417 CZ2 TRP A 31 23.816 2.700 -4.583 1.00 14.54 C ATOM 418 CZ3 TRP A 31 23.092 1.154 -2.876 1.00 64.53 C ATOM 419 CH2 TRP A 31 23.771 2.314 -3.271 1.00 3.24 C ATOM 0 H TRP A 31 20.443 -0.277 -9.411 1.00 14.24 H new ATOM 0 HA TRP A 31 19.282 -1.806 -7.332 1.00 24.41 H new ATOM 0 HB2 TRP A 31 20.677 -1.320 -5.484 1.00 0.34 H new ATOM 0 HB3 TRP A 31 21.765 -1.918 -6.720 1.00 0.34 H new ATOM 0 HD1 TRP A 31 22.042 0.851 -8.404 1.00 20.41 H new ATOM 0 HE1 TRP A 31 23.438 2.797 -7.427 1.00 21.34 H new ATOM 0 HE3 TRP A 31 21.919 -0.534 -3.486 1.00 24.13 H new ATOM 0 HZ2 TRP A 31 24.341 3.594 -4.885 1.00 14.54 H new ATOM 0 HZ3 TRP A 31 23.077 0.877 -1.832 1.00 64.53 H new ATOM 0 HH2 TRP A 31 24.269 2.916 -2.525 1.00 3.24 H new ATOM 430 N CYS A 32 18.321 0.367 -6.369 1.00 1.42 N ATOM 431 CA CYS A 32 17.537 1.569 -6.109 1.00 73.51 C ATOM 432 C CYS A 32 18.430 2.708 -5.627 1.00 61.11 C ATOM 433 O CYS A 32 18.700 2.838 -4.433 1.00 10.01 O ATOM 434 CB CYS A 32 16.453 1.280 -5.068 1.00 42.11 C ATOM 435 SG CYS A 32 15.303 -0.051 -5.541 1.00 51.14 S ATOM 0 H CYS A 32 18.101 -0.420 -5.759 1.00 1.42 H new ATOM 0 HA CYS A 32 17.064 1.873 -7.043 1.00 73.51 H new ATOM 0 HB2 CYS A 32 16.931 1.014 -4.125 1.00 42.11 H new ATOM 0 HB3 CYS A 32 15.883 2.192 -4.890 1.00 42.11 H new ATOM 440 N LYS A 33 18.886 3.532 -6.565 1.00 21.34 N ATOM 441 CA LYS A 33 19.748 4.662 -6.238 1.00 33.33 C ATOM 442 C LYS A 33 18.944 5.956 -6.166 1.00 51.14 C ATOM 443 O LYS A 33 18.003 6.157 -6.935 1.00 32.24 O ATOM 444 CB LYS A 33 20.862 4.797 -7.278 1.00 10.52 C ATOM 445 CG LYS A 33 20.359 4.807 -8.711 1.00 15.22 C ATOM 446 CD LYS A 33 21.217 5.694 -9.597 1.00 54.13 C ATOM 447 CE LYS A 33 22.635 5.158 -9.716 1.00 1.11 C ATOM 448 NZ LYS A 33 23.301 5.622 -10.965 1.00 12.25 N ATOM 0 H LYS A 33 18.673 3.438 -7.558 1.00 21.34 H new ATOM 0 HA LYS A 33 20.193 4.477 -5.260 1.00 33.33 H new ATOM 0 HB2 LYS A 33 21.414 5.718 -7.089 1.00 10.52 H new ATOM 0 HB3 LYS A 33 21.565 3.973 -7.154 1.00 10.52 H new ATOM 0 HG2 LYS A 33 20.358 3.790 -9.104 1.00 15.22 H new ATOM 0 HG3 LYS A 33 19.327 5.158 -8.733 1.00 15.22 H new ATOM 0 HD2 LYS A 33 20.769 5.763 -10.588 1.00 54.13 H new ATOM 0 HD3 LYS A 33 21.242 6.704 -9.188 1.00 54.13 H new ATOM 0 HE2 LYS A 33 23.218 5.479 -8.853 1.00 1.11 H new ATOM 0 HE3 LYS A 33 22.614 4.068 -9.699 1.00 1.11 H new ATOM 0 HZ1 LYS A 33 24.287 5.291 -10.976 1.00 12.25 H new ATOM 0 HZ2 LYS A 33 22.798 5.238 -11.790 1.00 12.25 H new ATOM 0 HZ3 LYS A 33 23.284 6.661 -11.002 1.00 12.25 H new ATOM 462 N TYR A 34 19.321 6.831 -5.241 1.00 44.22 N ATOM 463 CA TYR A 34 18.635 8.106 -5.070 1.00 31.05 C ATOM 464 C TYR A 34 18.681 8.927 -6.355 1.00 31.04 C ATOM 465 O TYR A 34 19.748 9.144 -6.927 1.00 24.30 O ATOM 466 CB TYR A 34 19.265 8.898 -3.922 1.00 74.14 C ATOM 467 CG TYR A 34 18.852 8.411 -2.552 1.00 34.31 C ATOM 468 CD1 TYR A 34 17.511 8.345 -2.191 1.00 63.24 C ATOM 469 CD2 TYR A 34 19.801 8.017 -1.617 1.00 43.32 C ATOM 470 CE1 TYR A 34 17.129 7.901 -0.940 1.00 41.02 C ATOM 471 CE2 TYR A 34 19.428 7.571 -0.364 1.00 62.24 C ATOM 472 CZ TYR A 34 18.091 7.515 -0.030 1.00 61.35 C ATOM 473 OH TYR A 34 17.716 7.072 1.217 1.00 35.11 O ATOM 0 H TYR A 34 20.098 6.681 -4.598 1.00 44.22 H new ATOM 0 HA TYR A 34 17.592 7.899 -4.831 1.00 31.05 H new ATOM 0 HB2 TYR A 34 20.350 8.842 -4.006 1.00 74.14 H new ATOM 0 HB3 TYR A 34 18.991 9.948 -4.023 1.00 74.14 H new ATOM 0 HD1 TYR A 34 16.755 8.646 -2.901 1.00 63.24 H new ATOM 0 HD2 TYR A 34 20.849 8.060 -1.874 1.00 43.32 H new ATOM 0 HE1 TYR A 34 16.083 7.856 -0.676 1.00 41.02 H new ATOM 0 HE2 TYR A 34 20.179 7.268 0.350 1.00 62.24 H new ATOM 0 HH TYR A 34 18.514 6.838 1.735 1.00 35.11 H new ATOM 483 N GLU A 35 17.514 9.381 -6.801 1.00 40.31 N ATOM 484 CA GLU A 35 17.421 10.178 -8.018 1.00 53.45 C ATOM 485 C GLU A 35 17.399 11.669 -7.692 1.00 43.05 C ATOM 486 O GLU A 35 16.405 12.191 -7.187 1.00 52.52 O ATOM 487 CB GLU A 35 16.166 9.800 -8.808 1.00 34.34 C ATOM 488 CG GLU A 35 16.431 8.826 -9.943 1.00 64.31 C ATOM 489 CD GLU A 35 16.570 9.518 -11.285 1.00 71.01 C ATOM 490 OE1 GLU A 35 17.350 10.489 -11.373 1.00 43.12 O ATOM 491 OE2 GLU A 35 15.898 9.089 -12.247 1.00 3.44 O ATOM 0 H GLU A 35 16.621 9.211 -6.338 1.00 40.31 H new ATOM 0 HA GLU A 35 18.301 9.969 -8.626 1.00 53.45 H new ATOM 0 HB2 GLU A 35 15.437 9.361 -8.127 1.00 34.34 H new ATOM 0 HB3 GLU A 35 15.717 10.706 -9.215 1.00 34.34 H new ATOM 0 HG2 GLU A 35 17.342 8.266 -9.731 1.00 64.31 H new ATOM 0 HG3 GLU A 35 15.617 8.103 -9.994 1.00 64.31 H new ATOM 498 N LEU A 36 18.503 12.348 -7.984 1.00 50.25 N ATOM 499 CA LEU A 36 18.613 13.779 -7.723 1.00 14.15 C ATOM 500 C LEU A 36 18.246 14.589 -8.962 1.00 2.21 C ATOM 501 O LEU A 36 18.447 14.141 -10.091 1.00 3.34 O ATOM 502 CB LEU A 36 20.032 14.128 -7.273 1.00 24.13 C ATOM 503 CG LEU A 36 20.371 13.814 -5.815 1.00 32.01 C ATOM 504 CD1 LEU A 36 21.850 13.495 -5.667 1.00 45.41 C ATOM 505 CD2 LEU A 36 19.981 14.977 -4.915 1.00 2.34 C ATOM 0 H LEU A 36 19.335 11.931 -8.402 1.00 50.25 H new ATOM 0 HA LEU A 36 17.914 14.032 -6.926 1.00 14.15 H new ATOM 0 HB2 LEU A 36 20.736 13.594 -7.912 1.00 24.13 H new ATOM 0 HB3 LEU A 36 20.193 15.193 -7.441 1.00 24.13 H new ATOM 0 HG LEU A 36 19.800 12.937 -5.510 1.00 32.01 H new ATOM 0 HD11 LEU A 36 22.072 13.274 -4.623 1.00 45.41 H new ATOM 0 HD12 LEU A 36 22.099 12.630 -6.282 1.00 45.41 H new ATOM 0 HD13 LEU A 36 22.441 14.352 -5.990 1.00 45.41 H new ATOM 0 HD21 LEU A 36 20.229 14.736 -3.881 1.00 2.34 H new ATOM 0 HD22 LEU A 36 20.525 15.871 -5.220 1.00 2.34 H new ATOM 0 HD23 LEU A 36 18.909 15.158 -4.998 1.00 2.34 H new TER 517 LEU A 36