USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=8 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 -130:sc= 0 USER MOD Set 1.2: A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 14 ASN : amide:sc= -0.12 X(o=-0.16,f=-0.045) USER MOD Set 2.2: A 16 GLN : amide:sc= -0.036 X(o=-0.16,f=-0.12) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0768 USER MOD Single : A 11 ASN : amide:sc= -2.2! C(o=-2.2!,f=-2.5!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -44:sc= 0.139 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= -0.03 X(o=-0.03,f=-0.11) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.454 -0.252 -0.025 1.00 24.24 N ATOM 2 CA GLY A 1 2.814 0.097 -0.395 1.00 34.15 C ATOM 3 C GLY A 1 3.633 -1.112 -0.801 1.00 75.11 C ATOM 4 O GLY A 1 3.992 -1.937 0.038 1.00 25.01 O ATOM 0 H1 GLY A 1 0.936 0.609 0.244 1.00 24.24 H new ATOM 0 H2 GLY A 1 0.979 -0.703 -0.833 1.00 24.24 H new ATOM 0 H3 GLY A 1 1.471 -0.911 0.779 1.00 24.24 H new ATOM 0 HA2 GLY A 1 2.791 0.810 -1.219 1.00 34.15 H new ATOM 0 HA3 GLY A 1 3.299 0.595 0.444 1.00 34.15 H new ATOM 8 N ALA A 2 3.926 -1.219 -2.093 1.00 3.41 N ATOM 9 CA ALA A 2 4.708 -2.335 -2.609 1.00 31.51 C ATOM 10 C ALA A 2 5.793 -1.851 -3.564 1.00 43.11 C ATOM 11 O ALA A 2 5.525 -1.563 -4.731 1.00 33.21 O ATOM 12 CB ALA A 2 3.800 -3.339 -3.304 1.00 54.33 C ATOM 0 H ALA A 2 3.633 -0.546 -2.801 1.00 3.41 H new ATOM 0 HA ALA A 2 5.195 -2.825 -1.766 1.00 31.51 H new ATOM 0 HB1 ALA A 2 4.398 -4.167 -3.685 1.00 54.33 H new ATOM 0 HB2 ALA A 2 3.065 -3.718 -2.593 1.00 54.33 H new ATOM 0 HB3 ALA A 2 3.286 -2.852 -4.132 1.00 54.33 H new ATOM 18 N CYS A 3 7.020 -1.762 -3.062 1.00 3.11 N ATOM 19 CA CYS A 3 8.147 -1.311 -3.870 1.00 0.03 C ATOM 20 C CYS A 3 9.472 -1.724 -3.235 1.00 34.04 C ATOM 21 O CYS A 3 9.496 -2.424 -2.221 1.00 55.22 O ATOM 22 CB CYS A 3 8.103 0.209 -4.041 1.00 32.21 C ATOM 23 SG CYS A 3 7.952 1.129 -2.476 1.00 40.21 S ATOM 0 H CYS A 3 7.259 -1.996 -2.099 1.00 3.11 H new ATOM 0 HA CYS A 3 8.071 -1.783 -4.850 1.00 0.03 H new ATOM 0 HB2 CYS A 3 9.008 0.533 -4.554 1.00 32.21 H new ATOM 0 HB3 CYS A 3 7.262 0.467 -4.685 1.00 32.21 H new ATOM 28 N LEU A 4 10.572 -1.286 -3.837 1.00 32.14 N ATOM 29 CA LEU A 4 11.901 -1.609 -3.330 1.00 63.45 C ATOM 30 C LEU A 4 12.593 -0.365 -2.783 1.00 31.02 C ATOM 31 O LEU A 4 12.847 0.590 -3.516 1.00 22.32 O ATOM 32 CB LEU A 4 12.752 -2.234 -4.438 1.00 21.03 C ATOM 33 CG LEU A 4 12.195 -3.507 -5.075 1.00 33.41 C ATOM 34 CD1 LEU A 4 12.974 -3.860 -6.333 1.00 13.05 C ATOM 35 CD2 LEU A 4 12.231 -4.660 -4.082 1.00 74.33 C ATOM 0 H LEU A 4 10.570 -0.707 -4.676 1.00 32.14 H new ATOM 0 HA LEU A 4 11.788 -2.326 -2.517 1.00 63.45 H new ATOM 0 HB2 LEU A 4 12.893 -1.491 -5.223 1.00 21.03 H new ATOM 0 HB3 LEU A 4 13.737 -2.457 -4.029 1.00 21.03 H new ATOM 0 HG LEU A 4 11.157 -3.326 -5.354 1.00 33.41 H new ATOM 0 HD11 LEU A 4 12.563 -4.769 -6.772 1.00 13.05 H new ATOM 0 HD12 LEU A 4 12.896 -3.043 -7.050 1.00 13.05 H new ATOM 0 HD13 LEU A 4 14.022 -4.021 -6.079 1.00 13.05 H new ATOM 0 HD21 LEU A 4 11.831 -5.558 -4.553 1.00 74.33 H new ATOM 0 HD22 LEU A 4 13.260 -4.841 -3.772 1.00 74.33 H new ATOM 0 HD23 LEU A 4 11.628 -4.408 -3.210 1.00 74.33 H new ATOM 47 N GLY A 5 12.897 -0.384 -1.488 1.00 73.24 N ATOM 48 CA GLY A 5 13.558 0.747 -0.865 1.00 1.11 C ATOM 49 C GLY A 5 14.984 0.924 -1.349 1.00 14.11 C ATOM 50 O GLY A 5 15.451 0.180 -2.211 1.00 40.24 O ATOM 0 H GLY A 5 12.697 -1.163 -0.860 1.00 73.24 H new ATOM 0 HA2 GLY A 5 12.992 1.655 -1.073 1.00 1.11 H new ATOM 0 HA3 GLY A 5 13.559 0.613 0.217 1.00 1.11 H new ATOM 54 N PHE A 6 15.677 1.913 -0.794 1.00 73.01 N ATOM 55 CA PHE A 6 17.057 2.187 -1.176 1.00 51.53 C ATOM 56 C PHE A 6 17.978 1.052 -0.740 1.00 2.12 C ATOM 57 O PHE A 6 17.896 0.571 0.389 1.00 23.33 O ATOM 58 CB PHE A 6 17.527 3.506 -0.559 1.00 53.42 C ATOM 59 CG PHE A 6 18.935 3.873 -0.929 1.00 43.45 C ATOM 60 CD1 PHE A 6 19.207 4.506 -2.132 1.00 22.12 C ATOM 61 CD2 PHE A 6 19.988 3.585 -0.075 1.00 54.23 C ATOM 62 CE1 PHE A 6 20.502 4.845 -2.476 1.00 3.35 C ATOM 63 CE2 PHE A 6 21.285 3.923 -0.413 1.00 75.44 C ATOM 64 CZ PHE A 6 21.542 4.552 -1.615 1.00 44.24 C ATOM 0 H PHE A 6 15.305 2.538 -0.078 1.00 73.01 H new ATOM 0 HA PHE A 6 17.098 2.267 -2.262 1.00 51.53 H new ATOM 0 HB2 PHE A 6 16.857 4.305 -0.876 1.00 53.42 H new ATOM 0 HB3 PHE A 6 17.451 3.438 0.526 1.00 53.42 H new ATOM 0 HD1 PHE A 6 18.397 4.737 -2.808 1.00 22.12 H new ATOM 0 HD2 PHE A 6 19.793 3.091 0.865 1.00 54.23 H new ATOM 0 HE1 PHE A 6 20.701 5.338 -3.416 1.00 3.35 H new ATOM 0 HE2 PHE A 6 22.096 3.695 0.262 1.00 75.44 H new ATOM 0 HZ PHE A 6 22.555 4.815 -1.882 1.00 44.24 H new ATOM 74 N GLY A 7 18.855 0.628 -1.645 1.00 4.42 N ATOM 75 CA GLY A 7 19.779 -0.447 -1.336 1.00 22.33 C ATOM 76 C GLY A 7 19.189 -1.816 -1.612 1.00 51.21 C ATOM 77 O GLY A 7 19.693 -2.828 -1.125 1.00 1.00 O ATOM 0 H GLY A 7 18.942 1.010 -2.587 1.00 4.42 H new ATOM 0 HA2 GLY A 7 20.688 -0.321 -1.924 1.00 22.33 H new ATOM 0 HA3 GLY A 7 20.067 -0.384 -0.287 1.00 22.33 H new ATOM 81 N LYS A 8 18.116 -1.848 -2.395 1.00 31.40 N ATOM 82 CA LYS A 8 17.455 -3.102 -2.736 1.00 33.42 C ATOM 83 C LYS A 8 17.852 -3.565 -4.134 1.00 43.40 C ATOM 84 O LYS A 8 18.127 -2.748 -5.013 1.00 64.11 O ATOM 85 CB LYS A 8 15.935 -2.940 -2.654 1.00 22.44 C ATOM 86 CG LYS A 8 15.438 -2.560 -1.270 1.00 1.32 C ATOM 87 CD LYS A 8 15.651 -3.685 -0.271 1.00 64.14 C ATOM 88 CE LYS A 8 15.435 -3.211 1.158 1.00 61.05 C ATOM 89 NZ LYS A 8 13.994 -2.984 1.455 1.00 74.45 N ATOM 0 H LYS A 8 17.686 -1.019 -2.805 1.00 31.40 H new ATOM 0 HA LYS A 8 17.774 -3.858 -2.018 1.00 33.42 H new ATOM 0 HB2 LYS A 8 15.620 -2.177 -3.366 1.00 22.44 H new ATOM 0 HB3 LYS A 8 15.462 -3.874 -2.957 1.00 22.44 H new ATOM 0 HG2 LYS A 8 15.959 -1.666 -0.928 1.00 1.32 H new ATOM 0 HG3 LYS A 8 14.378 -2.312 -1.319 1.00 1.32 H new ATOM 0 HD2 LYS A 8 14.965 -4.503 -0.491 1.00 64.14 H new ATOM 0 HD3 LYS A 8 16.662 -4.079 -0.376 1.00 64.14 H new ATOM 0 HE2 LYS A 8 15.836 -3.951 1.851 1.00 61.05 H new ATOM 0 HE3 LYS A 8 15.990 -2.287 1.322 1.00 61.05 H new ATOM 0 HZ1 LYS A 8 13.889 -2.662 2.438 1.00 74.45 H new ATOM 0 HZ2 LYS A 8 13.617 -2.260 0.811 1.00 74.45 H new ATOM 0 HZ3 LYS A 8 13.468 -3.872 1.323 1.00 74.45 H new ATOM 103 N SER A 9 17.879 -4.879 -4.333 1.00 0.42 N ATOM 104 CA SER A 9 18.245 -5.449 -5.624 1.00 21.11 C ATOM 105 C SER A 9 17.073 -5.384 -6.598 1.00 61.44 C ATOM 106 O SER A 9 16.104 -6.134 -6.473 1.00 63.25 O ATOM 107 CB SER A 9 18.702 -6.899 -5.453 1.00 72.34 C ATOM 108 OG SER A 9 17.955 -7.554 -4.443 1.00 14.23 O ATOM 0 H SER A 9 17.652 -5.569 -3.617 1.00 0.42 H new ATOM 0 HA SER A 9 19.067 -4.862 -6.033 1.00 21.11 H new ATOM 0 HB2 SER A 9 18.589 -7.433 -6.397 1.00 72.34 H new ATOM 0 HB3 SER A 9 19.762 -6.922 -5.198 1.00 72.34 H new ATOM 0 HG SER A 9 18.265 -8.479 -4.355 1.00 14.23 H new ATOM 114 N CYS A 10 17.169 -4.483 -7.570 1.00 14.54 N ATOM 115 CA CYS A 10 16.118 -4.317 -8.567 1.00 33.45 C ATOM 116 C CYS A 10 16.630 -4.671 -9.960 1.00 55.30 C ATOM 117 O CYS A 10 17.807 -4.977 -10.141 1.00 3.54 O ATOM 118 CB CYS A 10 15.594 -2.880 -8.553 1.00 2.22 C ATOM 119 SG CYS A 10 16.889 -1.615 -8.757 1.00 41.03 S ATOM 0 H CYS A 10 17.965 -3.856 -7.688 1.00 14.54 H new ATOM 0 HA CYS A 10 15.303 -4.995 -8.316 1.00 33.45 H new ATOM 0 HB2 CYS A 10 14.859 -2.765 -9.350 1.00 2.22 H new ATOM 0 HB3 CYS A 10 15.073 -2.703 -7.612 1.00 2.22 H new ATOM 124 N ASN A 11 15.735 -4.626 -10.942 1.00 11.31 N ATOM 125 CA ASN A 11 16.095 -4.941 -12.319 1.00 64.14 C ATOM 126 C ASN A 11 16.097 -3.683 -13.183 1.00 21.40 C ATOM 127 O ASN A 11 15.210 -2.835 -13.090 1.00 34.13 O ATOM 128 CB ASN A 11 15.124 -5.971 -12.900 1.00 13.41 C ATOM 129 CG ASN A 11 15.724 -6.743 -14.059 1.00 20.25 C ATOM 130 OD1 ASN A 11 16.695 -7.481 -13.890 1.00 70.23 O ATOM 131 ND2 ASN A 11 15.147 -6.576 -15.243 1.00 22.21 N ATOM 0 H ASN A 11 14.755 -4.374 -10.809 1.00 11.31 H new ATOM 0 HA ASN A 11 17.101 -5.361 -12.318 1.00 64.14 H new ATOM 0 HB2 ASN A 11 14.828 -6.669 -12.117 1.00 13.41 H new ATOM 0 HB3 ASN A 11 14.219 -5.464 -13.235 1.00 13.41 H new ATOM 0 HD21 ASN A 11 15.507 -7.070 -16.060 1.00 22.21 H new ATOM 0 HD22 ASN A 11 14.344 -5.954 -15.336 1.00 22.21 H new ATOM 138 N PRO A 12 17.117 -3.559 -14.045 1.00 2.20 N ATOM 139 CA PRO A 12 17.259 -2.409 -14.943 1.00 12.11 C ATOM 140 C PRO A 12 16.201 -2.397 -16.041 1.00 60.22 C ATOM 141 O PRO A 12 15.652 -1.348 -16.377 1.00 4.43 O ATOM 142 CB PRO A 12 18.653 -2.599 -15.545 1.00 41.14 C ATOM 143 CG PRO A 12 18.907 -4.064 -15.458 1.00 21.22 C ATOM 144 CD PRO A 12 18.211 -4.531 -14.210 1.00 35.43 C ATOM 0 HA PRO A 12 17.133 -1.463 -14.417 1.00 12.11 H new ATOM 0 HB2 PRO A 12 18.689 -2.252 -16.578 1.00 41.14 H new ATOM 0 HB3 PRO A 12 19.403 -2.034 -14.992 1.00 41.14 H new ATOM 0 HG2 PRO A 12 18.520 -4.580 -16.337 1.00 21.22 H new ATOM 0 HG3 PRO A 12 19.976 -4.273 -15.410 1.00 21.22 H new ATOM 0 HD2 PRO A 12 17.832 -5.547 -14.318 1.00 35.43 H new ATOM 0 HD3 PRO A 12 18.882 -4.530 -13.351 1.00 35.43 H new ATOM 152 N SER A 13 15.919 -3.571 -16.597 1.00 70.13 N ATOM 153 CA SER A 13 14.929 -3.695 -17.661 1.00 13.04 C ATOM 154 C SER A 13 13.528 -3.397 -17.135 1.00 53.55 C ATOM 155 O SER A 13 12.640 -3.006 -17.892 1.00 73.11 O ATOM 156 CB SER A 13 14.971 -5.100 -18.264 1.00 72.14 C ATOM 157 OG SER A 13 14.357 -5.125 -19.541 1.00 74.12 O ATOM 0 H SER A 13 16.362 -4.450 -16.329 1.00 70.13 H new ATOM 0 HA SER A 13 15.171 -2.968 -18.436 1.00 13.04 H new ATOM 0 HB2 SER A 13 16.006 -5.432 -18.348 1.00 72.14 H new ATOM 0 HB3 SER A 13 14.464 -5.800 -17.599 1.00 72.14 H new ATOM 0 HG SER A 13 14.398 -6.034 -19.906 1.00 74.12 H new ATOM 163 N ASN A 14 13.338 -3.584 -15.833 1.00 43.23 N ATOM 164 CA ASN A 14 12.046 -3.336 -15.206 1.00 15.44 C ATOM 165 C ASN A 14 12.220 -2.653 -13.852 1.00 41.24 C ATOM 166 O ASN A 14 11.891 -3.222 -12.811 1.00 40.14 O ATOM 167 CB ASN A 14 11.279 -4.648 -15.032 1.00 21.30 C ATOM 168 CG ASN A 14 9.776 -4.448 -15.054 1.00 41.51 C ATOM 169 OD1 ASN A 14 9.079 -4.788 -14.098 1.00 60.12 O ATOM 170 ND2 ASN A 14 9.270 -3.892 -16.149 1.00 34.12 N ATOM 0 H ASN A 14 14.063 -3.907 -15.192 1.00 43.23 H new ATOM 0 HA ASN A 14 11.476 -2.673 -15.857 1.00 15.44 H new ATOM 0 HB2 ASN A 14 11.562 -5.339 -15.826 1.00 21.30 H new ATOM 0 HB3 ASN A 14 11.567 -5.111 -14.088 1.00 21.30 H new ATOM 0 HD21 ASN A 14 8.265 -3.731 -16.222 1.00 34.12 H new ATOM 0 HD22 ASN A 14 9.886 -3.626 -16.917 1.00 34.12 H new ATOM 177 N ASP A 15 12.739 -1.430 -13.875 1.00 60.25 N ATOM 178 CA ASP A 15 12.956 -0.668 -12.651 1.00 71.40 C ATOM 179 C ASP A 15 11.694 -0.647 -11.794 1.00 2.32 C ATOM 180 O ASP A 15 10.664 -0.113 -12.204 1.00 10.24 O ATOM 181 CB ASP A 15 13.386 0.761 -12.984 1.00 10.11 C ATOM 182 CG ASP A 15 12.336 1.511 -13.780 1.00 11.24 C ATOM 183 OD1 ASP A 15 12.042 1.091 -14.919 1.00 12.15 O ATOM 184 OD2 ASP A 15 11.807 2.518 -13.263 1.00 65.31 O ATOM 0 H ASP A 15 13.017 -0.945 -14.728 1.00 60.25 H new ATOM 0 HA ASP A 15 13.750 -1.155 -12.085 1.00 71.40 H new ATOM 0 HB2 ASP A 15 13.591 1.301 -12.059 1.00 10.11 H new ATOM 0 HB3 ASP A 15 14.317 0.735 -13.550 1.00 10.11 H new ATOM 189 N GLN A 16 11.783 -1.231 -10.604 1.00 25.44 N ATOM 190 CA GLN A 16 10.648 -1.280 -9.690 1.00 61.30 C ATOM 191 C GLN A 16 11.077 -0.927 -8.270 1.00 33.34 C ATOM 192 O GLN A 16 11.223 -1.805 -7.418 1.00 2.41 O ATOM 193 CB GLN A 16 10.008 -2.670 -9.712 1.00 43.40 C ATOM 194 CG GLN A 16 9.522 -3.094 -11.088 1.00 42.25 C ATOM 195 CD GLN A 16 8.089 -3.588 -11.075 1.00 1.24 C ATOM 196 OE1 GLN A 16 7.813 -4.737 -11.419 1.00 61.34 O ATOM 197 NE2 GLN A 16 7.167 -2.720 -10.675 1.00 2.32 N ATOM 0 H GLN A 16 12.629 -1.677 -10.250 1.00 25.44 H new ATOM 0 HA GLN A 16 9.915 -0.545 -10.022 1.00 61.30 H new ATOM 0 HB2 GLN A 16 10.732 -3.400 -9.351 1.00 43.40 H new ATOM 0 HB3 GLN A 16 9.167 -2.685 -9.018 1.00 43.40 H new ATOM 0 HG2 GLN A 16 9.605 -2.251 -11.774 1.00 42.25 H new ATOM 0 HG3 GLN A 16 10.170 -3.882 -11.471 1.00 42.25 H new ATOM 0 HE21 GLN A 16 7.440 -1.777 -10.398 1.00 2.32 H new ATOM 0 HE22 GLN A 16 6.186 -2.996 -10.644 1.00 2.32 H new ATOM 206 N CYS A 17 11.277 0.362 -8.021 1.00 11.55 N ATOM 207 CA CYS A 17 11.690 0.832 -6.704 1.00 13.53 C ATOM 208 C CYS A 17 10.620 1.729 -6.086 1.00 45.34 C ATOM 209 O CYS A 17 9.532 1.888 -6.640 1.00 31.32 O ATOM 210 CB CYS A 17 13.014 1.593 -6.802 1.00 72.34 C ATOM 211 SG CYS A 17 14.434 0.554 -7.275 1.00 10.14 S ATOM 0 H CYS A 17 11.160 1.101 -8.714 1.00 11.55 H new ATOM 0 HA CYS A 17 11.826 -0.038 -6.062 1.00 13.53 H new ATOM 0 HB2 CYS A 17 12.906 2.396 -7.531 1.00 72.34 H new ATOM 0 HB3 CYS A 17 13.224 2.061 -5.840 1.00 72.34 H new ATOM 216 N CYS A 18 10.939 2.314 -4.937 1.00 14.44 N ATOM 217 CA CYS A 18 10.007 3.195 -4.243 1.00 10.33 C ATOM 218 C CYS A 18 10.119 4.625 -4.765 1.00 32.13 C ATOM 219 O CYS A 18 11.062 5.346 -4.437 1.00 34.21 O ATOM 220 CB CYS A 18 10.273 3.168 -2.736 1.00 51.53 C ATOM 221 SG CYS A 18 9.938 1.559 -1.951 1.00 13.43 S ATOM 0 H CYS A 18 11.836 2.194 -4.466 1.00 14.44 H new ATOM 0 HA CYS A 18 8.996 2.836 -4.433 1.00 10.33 H new ATOM 0 HB2 CYS A 18 11.314 3.438 -2.557 1.00 51.53 H new ATOM 0 HB3 CYS A 18 9.659 3.930 -2.256 1.00 51.53 H new ATOM 226 N LYS A 19 9.150 5.029 -5.579 1.00 72.10 N ATOM 227 CA LYS A 19 9.137 6.372 -6.146 1.00 54.12 C ATOM 228 C LYS A 19 8.940 7.421 -5.056 1.00 72.03 C ATOM 229 O LYS A 19 9.472 8.527 -5.143 1.00 41.52 O ATOM 230 CB LYS A 19 8.027 6.495 -7.193 1.00 63.03 C ATOM 231 CG LYS A 19 8.039 5.381 -8.225 1.00 61.25 C ATOM 232 CD LYS A 19 9.290 5.432 -9.087 1.00 32.22 C ATOM 233 CE LYS A 19 9.175 6.489 -10.175 1.00 33.34 C ATOM 234 NZ LYS A 19 10.503 6.838 -10.751 1.00 55.21 N ATOM 0 H LYS A 19 8.363 4.445 -5.861 1.00 72.10 H new ATOM 0 HA LYS A 19 10.101 6.547 -6.624 1.00 54.12 H new ATOM 0 HB2 LYS A 19 7.061 6.500 -6.688 1.00 63.03 H new ATOM 0 HB3 LYS A 19 8.125 7.453 -7.704 1.00 63.03 H new ATOM 0 HG2 LYS A 19 7.983 4.416 -7.721 1.00 61.25 H new ATOM 0 HG3 LYS A 19 7.156 5.462 -8.859 1.00 61.25 H new ATOM 0 HD2 LYS A 19 10.156 5.646 -8.461 1.00 32.22 H new ATOM 0 HD3 LYS A 19 9.459 4.456 -9.543 1.00 32.22 H new ATOM 0 HE2 LYS A 19 8.520 6.126 -10.967 1.00 33.34 H new ATOM 0 HE3 LYS A 19 8.711 7.385 -9.763 1.00 33.34 H new ATOM 0 HZ1 LYS A 19 10.382 7.561 -11.489 1.00 55.21 H new ATOM 0 HZ2 LYS A 19 11.120 7.209 -10.001 1.00 55.21 H new ATOM 0 HZ3 LYS A 19 10.935 5.988 -11.167 1.00 55.21 H new ATOM 248 N SER A 20 8.173 7.065 -4.030 1.00 43.23 N ATOM 249 CA SER A 20 7.905 7.977 -2.924 1.00 72.14 C ATOM 250 C SER A 20 9.206 8.474 -2.302 1.00 20.00 C ATOM 251 O SER A 20 9.312 9.633 -1.900 1.00 32.40 O ATOM 252 CB SER A 20 7.049 7.285 -1.861 1.00 64.04 C ATOM 253 OG SER A 20 6.530 8.223 -0.935 1.00 54.01 O ATOM 0 H SER A 20 7.727 6.152 -3.942 1.00 43.23 H new ATOM 0 HA SER A 20 7.360 8.835 -3.317 1.00 72.14 H new ATOM 0 HB2 SER A 20 6.229 6.751 -2.341 1.00 64.04 H new ATOM 0 HB3 SER A 20 7.648 6.542 -1.334 1.00 64.04 H new ATOM 0 HG SER A 20 5.986 7.756 -0.267 1.00 54.01 H new ATOM 259 N SER A 21 10.194 7.588 -2.226 1.00 4.41 N ATOM 260 CA SER A 21 11.488 7.935 -1.649 1.00 61.41 C ATOM 261 C SER A 21 12.466 8.376 -2.734 1.00 31.01 C ATOM 262 O SER A 21 13.679 8.390 -2.524 1.00 33.14 O ATOM 263 CB SER A 21 12.064 6.743 -0.882 1.00 73.52 C ATOM 264 OG SER A 21 13.065 7.159 0.030 1.00 22.51 O ATOM 0 H SER A 21 10.123 6.626 -2.556 1.00 4.41 H new ATOM 0 HA SER A 21 11.339 8.765 -0.959 1.00 61.41 H new ATOM 0 HB2 SER A 21 11.265 6.233 -0.343 1.00 73.52 H new ATOM 0 HB3 SER A 21 12.484 6.023 -1.584 1.00 73.52 H new ATOM 0 HG SER A 21 13.655 7.809 -0.406 1.00 22.51 H new ATOM 270 N SER A 22 11.929 8.736 -3.895 1.00 74.02 N ATOM 271 CA SER A 22 12.753 9.174 -5.015 1.00 53.45 C ATOM 272 C SER A 22 13.825 8.139 -5.339 1.00 70.42 C ATOM 273 O SER A 22 15.020 8.438 -5.320 1.00 73.25 O ATOM 274 CB SER A 22 13.407 10.521 -4.699 1.00 31.44 C ATOM 275 OG SER A 22 13.812 11.182 -5.884 1.00 44.23 O ATOM 0 H SER A 22 10.927 8.733 -4.085 1.00 74.02 H new ATOM 0 HA SER A 22 12.107 9.287 -5.886 1.00 53.45 H new ATOM 0 HB2 SER A 22 12.706 11.149 -4.150 1.00 31.44 H new ATOM 0 HB3 SER A 22 14.270 10.367 -4.052 1.00 31.44 H new ATOM 0 HG SER A 22 14.226 12.040 -5.655 1.00 44.23 H new ATOM 281 N LEU A 23 13.390 6.919 -5.636 1.00 11.11 N ATOM 282 CA LEU A 23 14.311 5.837 -5.964 1.00 63.23 C ATOM 283 C LEU A 23 14.176 5.432 -7.429 1.00 30.13 C ATOM 284 O LEU A 23 13.177 5.739 -8.078 1.00 52.10 O ATOM 285 CB LEU A 23 14.052 4.628 -5.063 1.00 53.41 C ATOM 286 CG LEU A 23 14.348 4.824 -3.576 1.00 4.11 C ATOM 287 CD1 LEU A 23 14.071 3.544 -2.803 1.00 62.23 C ATOM 288 CD2 LEU A 23 15.789 5.270 -3.374 1.00 23.23 C ATOM 0 H LEU A 23 12.405 6.655 -5.656 1.00 11.11 H new ATOM 0 HA LEU A 23 15.327 6.195 -5.797 1.00 63.23 H new ATOM 0 HB2 LEU A 23 13.007 4.338 -5.170 1.00 53.41 H new ATOM 0 HB3 LEU A 23 14.653 3.794 -5.426 1.00 53.41 H new ATOM 0 HG LEU A 23 13.690 5.604 -3.194 1.00 4.11 H new ATOM 0 HD11 LEU A 23 14.287 3.703 -1.747 1.00 62.23 H new ATOM 0 HD12 LEU A 23 13.023 3.267 -2.921 1.00 62.23 H new ATOM 0 HD13 LEU A 23 14.703 2.743 -3.186 1.00 62.23 H new ATOM 0 HD21 LEU A 23 15.982 5.405 -2.310 1.00 23.23 H new ATOM 0 HD22 LEU A 23 16.464 4.512 -3.772 1.00 23.23 H new ATOM 0 HD23 LEU A 23 15.954 6.213 -3.895 1.00 23.23 H new ATOM 300 N ALA A 24 15.187 4.739 -7.942 1.00 24.25 N ATOM 301 CA ALA A 24 15.179 4.288 -9.328 1.00 23.04 C ATOM 302 C ALA A 24 16.236 3.214 -9.562 1.00 31.45 C ATOM 303 O ALA A 24 17.266 3.184 -8.887 1.00 34.51 O ATOM 304 CB ALA A 24 15.403 5.464 -10.267 1.00 10.25 C ATOM 0 H ALA A 24 16.022 4.478 -7.418 1.00 24.25 H new ATOM 0 HA ALA A 24 14.202 3.851 -9.536 1.00 23.04 H new ATOM 0 HB1 ALA A 24 15.395 5.113 -11.299 1.00 10.25 H new ATOM 0 HB2 ALA A 24 14.609 6.198 -10.127 1.00 10.25 H new ATOM 0 HB3 ALA A 24 16.366 5.926 -10.049 1.00 10.25 H new ATOM 310 N CYS A 25 15.974 2.332 -10.521 1.00 4.11 N ATOM 311 CA CYS A 25 16.902 1.255 -10.844 1.00 32.45 C ATOM 312 C CYS A 25 17.803 1.644 -12.011 1.00 43.35 C ATOM 313 O CYS A 25 17.334 1.842 -13.132 1.00 41.02 O ATOM 314 CB CYS A 25 16.133 -0.024 -11.183 1.00 51.20 C ATOM 315 SG CYS A 25 17.058 -1.558 -10.853 1.00 2.11 S ATOM 0 H CYS A 25 15.126 2.342 -11.088 1.00 4.11 H new ATOM 0 HA CYS A 25 17.528 1.074 -9.970 1.00 32.45 H new ATOM 0 HB2 CYS A 25 15.206 -0.041 -10.609 1.00 51.20 H new ATOM 0 HB3 CYS A 25 15.855 0.000 -12.237 1.00 51.20 H new ATOM 320 N SER A 26 19.100 1.753 -11.740 1.00 61.44 N ATOM 321 CA SER A 26 20.067 2.122 -12.767 1.00 44.01 C ATOM 322 C SER A 26 20.771 0.886 -13.321 1.00 13.44 C ATOM 323 O SER A 26 21.092 -0.044 -12.581 1.00 32.24 O ATOM 324 CB SER A 26 21.099 3.098 -12.198 1.00 40.12 C ATOM 325 OG SER A 26 21.409 4.116 -13.135 1.00 20.54 O ATOM 0 H SER A 26 19.505 1.591 -10.818 1.00 61.44 H new ATOM 0 HA SER A 26 19.528 2.607 -13.581 1.00 44.01 H new ATOM 0 HB2 SER A 26 20.714 3.547 -11.283 1.00 40.12 H new ATOM 0 HB3 SER A 26 22.007 2.557 -11.930 1.00 40.12 H new ATOM 0 HG SER A 26 22.382 4.194 -13.223 1.00 20.54 H new ATOM 331 N THR A 27 21.008 0.884 -14.629 1.00 14.12 N ATOM 332 CA THR A 27 21.671 -0.236 -15.283 1.00 63.14 C ATOM 333 C THR A 27 23.176 -0.199 -15.045 1.00 24.25 C ATOM 334 O THR A 27 23.913 -1.062 -15.523 1.00 41.21 O ATOM 335 CB THR A 27 21.404 -0.239 -16.800 1.00 73.23 C ATOM 336 OG1 THR A 27 20.032 0.081 -17.056 1.00 53.03 O ATOM 337 CG2 THR A 27 21.735 -1.595 -17.405 1.00 52.05 C ATOM 0 H THR A 27 20.750 1.646 -15.256 1.00 14.12 H new ATOM 0 HA THR A 27 21.258 -1.146 -14.846 1.00 63.14 H new ATOM 0 HB THR A 27 22.044 0.513 -17.261 1.00 73.23 H new ATOM 0 HG1 THR A 27 19.870 0.079 -18.023 1.00 53.03 H new ATOM 0 HG21 THR A 27 21.538 -1.573 -18.477 1.00 52.05 H new ATOM 0 HG22 THR A 27 22.787 -1.823 -17.234 1.00 52.05 H new ATOM 0 HG23 THR A 27 21.117 -2.362 -16.939 1.00 52.05 H new ATOM 345 N LYS A 28 23.628 0.805 -14.301 1.00 22.24 N ATOM 346 CA LYS A 28 25.046 0.954 -13.996 1.00 23.14 C ATOM 347 C LYS A 28 25.407 0.217 -12.710 1.00 33.31 C ATOM 348 O LYS A 28 26.366 -0.554 -12.673 1.00 22.44 O ATOM 349 CB LYS A 28 25.408 2.435 -13.865 1.00 51.23 C ATOM 350 CG LYS A 28 26.710 2.806 -14.554 1.00 11.31 C ATOM 351 CD LYS A 28 26.631 4.183 -15.191 1.00 52.33 C ATOM 352 CE LYS A 28 27.397 5.218 -14.381 1.00 34.34 C ATOM 353 NZ LYS A 28 26.935 6.603 -14.672 1.00 2.20 N ATOM 0 H LYS A 28 23.032 1.528 -13.898 1.00 22.24 H new ATOM 0 HA LYS A 28 25.616 0.518 -14.817 1.00 23.14 H new ATOM 0 HB2 LYS A 28 24.601 3.036 -14.284 1.00 51.23 H new ATOM 0 HB3 LYS A 28 25.480 2.691 -12.808 1.00 51.23 H new ATOM 0 HG2 LYS A 28 27.525 2.785 -13.830 1.00 11.31 H new ATOM 0 HG3 LYS A 28 26.943 2.064 -15.317 1.00 11.31 H new ATOM 0 HD2 LYS A 28 27.034 4.140 -16.203 1.00 52.33 H new ATOM 0 HD3 LYS A 28 25.587 4.486 -15.276 1.00 52.33 H new ATOM 0 HE2 LYS A 28 27.275 5.010 -13.318 1.00 34.34 H new ATOM 0 HE3 LYS A 28 28.461 5.136 -14.601 1.00 34.34 H new ATOM 0 HZ1 LYS A 28 27.481 7.279 -14.100 1.00 2.20 H new ATOM 0 HZ2 LYS A 28 27.075 6.811 -15.681 1.00 2.20 H new ATOM 0 HZ3 LYS A 28 25.925 6.689 -14.438 1.00 2.20 H new ATOM 367 N HIS A 29 24.631 0.457 -11.658 1.00 11.44 N ATOM 368 CA HIS A 29 24.868 -0.186 -10.370 1.00 52.21 C ATOM 369 C HIS A 29 23.844 -1.288 -10.117 1.00 71.41 C ATOM 370 O HIS A 29 24.058 -2.170 -9.285 1.00 61.42 O ATOM 371 CB HIS A 29 24.813 0.846 -9.243 1.00 34.21 C ATOM 372 CG HIS A 29 25.971 1.795 -9.243 1.00 0.13 C ATOM 373 ND1 HIS A 29 27.248 1.424 -9.608 1.00 51.41 N ATOM 374 CD2 HIS A 29 26.040 3.108 -8.920 1.00 73.13 C ATOM 375 CE1 HIS A 29 28.052 2.468 -9.509 1.00 23.32 C ATOM 376 NE2 HIS A 29 27.344 3.502 -9.094 1.00 14.22 N ATOM 0 H HIS A 29 23.833 1.092 -11.672 1.00 11.44 H new ATOM 0 HA HIS A 29 25.861 -0.635 -10.393 1.00 52.21 H new ATOM 0 HB2 HIS A 29 23.887 1.415 -9.328 1.00 34.21 H new ATOM 0 HB3 HIS A 29 24.781 0.325 -8.286 1.00 34.21 H new ATOM 0 HD2 HIS A 29 25.222 3.730 -8.587 1.00 73.13 H new ATOM 0 HE1 HIS A 29 29.109 2.474 -9.730 1.00 23.32 H new ATOM 0 HE2 HIS A 29 27.707 4.441 -8.929 1.00 14.22 H new ATOM 384 N LYS A 30 22.730 -1.232 -10.839 1.00 42.15 N ATOM 385 CA LYS A 30 21.673 -2.225 -10.695 1.00 35.13 C ATOM 386 C LYS A 30 21.130 -2.238 -9.269 1.00 72.02 C ATOM 387 O LYS A 30 21.232 -3.243 -8.566 1.00 0.15 O ATOM 388 CB LYS A 30 22.195 -3.615 -11.065 1.00 44.23 C ATOM 389 CG LYS A 30 22.112 -3.920 -12.551 1.00 10.21 C ATOM 390 CD LYS A 30 21.997 -5.413 -12.808 1.00 11.10 C ATOM 391 CE LYS A 30 23.299 -6.134 -12.497 1.00 65.00 C ATOM 392 NZ LYS A 30 23.129 -7.613 -12.502 1.00 24.40 N ATOM 0 H LYS A 30 22.536 -0.508 -11.531 1.00 42.15 H new ATOM 0 HA LYS A 30 20.862 -1.956 -11.372 1.00 35.13 H new ATOM 0 HB2 LYS A 30 23.232 -3.702 -10.742 1.00 44.23 H new ATOM 0 HB3 LYS A 30 21.626 -4.366 -10.516 1.00 44.23 H new ATOM 0 HG2 LYS A 30 21.251 -3.408 -12.981 1.00 10.21 H new ATOM 0 HG3 LYS A 30 22.997 -3.531 -13.053 1.00 10.21 H new ATOM 0 HD2 LYS A 30 21.195 -5.828 -12.197 1.00 11.10 H new ATOM 0 HD3 LYS A 30 21.725 -5.584 -13.850 1.00 11.10 H new ATOM 0 HE2 LYS A 30 24.054 -5.853 -13.231 1.00 65.00 H new ATOM 0 HE3 LYS A 30 23.667 -5.814 -11.522 1.00 65.00 H new ATOM 0 HZ1 LYS A 30 24.039 -8.068 -12.286 1.00 24.40 H new ATOM 0 HZ2 LYS A 30 22.427 -7.884 -11.784 1.00 24.40 H new ATOM 0 HZ3 LYS A 30 22.802 -7.922 -13.440 1.00 24.40 H new ATOM 406 N TRP A 31 20.552 -1.118 -8.851 1.00 42.30 N ATOM 407 CA TRP A 31 19.992 -1.002 -7.509 1.00 51.44 C ATOM 408 C TRP A 31 19.220 0.304 -7.353 1.00 72.20 C ATOM 409 O TRP A 31 19.456 1.268 -8.082 1.00 71.53 O ATOM 410 CB TRP A 31 21.104 -1.080 -6.462 1.00 14.43 C ATOM 411 CG TRP A 31 21.904 0.183 -6.350 1.00 32.34 C ATOM 412 CD1 TRP A 31 22.265 1.017 -7.368 1.00 42.24 C ATOM 413 CD2 TRP A 31 22.443 0.752 -5.152 1.00 12.04 C ATOM 414 NE1 TRP A 31 22.997 2.071 -6.876 1.00 14.10 N ATOM 415 CE2 TRP A 31 23.119 1.932 -5.519 1.00 12.13 C ATOM 416 CE3 TRP A 31 22.419 0.381 -3.805 1.00 14.25 C ATOM 417 CZ2 TRP A 31 23.764 2.740 -4.587 1.00 3.52 C ATOM 418 CZ3 TRP A 31 23.060 1.184 -2.881 1.00 11.41 C ATOM 419 CH2 TRP A 31 23.725 2.353 -3.275 1.00 13.31 C ATOM 0 H TRP A 31 20.459 -0.277 -9.421 1.00 42.30 H new ATOM 0 HA TRP A 31 19.301 -1.831 -7.357 1.00 51.44 H new ATOM 0 HB2 TRP A 31 20.664 -1.310 -5.492 1.00 14.43 H new ATOM 0 HB3 TRP A 31 21.772 -1.904 -6.713 1.00 14.43 H new ATOM 0 HD1 TRP A 31 22.013 0.870 -8.408 1.00 42.24 H new ATOM 0 HE1 TRP A 31 23.386 2.833 -7.431 1.00 14.10 H new ATOM 0 HE3 TRP A 31 21.908 -0.518 -3.492 1.00 14.25 H new ATOM 0 HZ2 TRP A 31 24.277 3.641 -4.889 1.00 3.52 H new ATOM 0 HZ3 TRP A 31 23.048 0.906 -1.837 1.00 11.41 H new ATOM 0 HH2 TRP A 31 24.216 2.960 -2.529 1.00 13.31 H new ATOM 430 N CYS A 32 18.296 0.329 -6.398 1.00 3.21 N ATOM 431 CA CYS A 32 17.489 1.517 -6.146 1.00 32.53 C ATOM 432 C CYS A 32 18.359 2.674 -5.665 1.00 0.14 C ATOM 433 O CYS A 32 18.624 2.812 -4.470 1.00 64.33 O ATOM 434 CB CYS A 32 16.407 1.212 -5.108 1.00 33.01 C ATOM 435 SG CYS A 32 15.278 -0.137 -5.584 1.00 45.20 S ATOM 0 H CYS A 32 18.088 -0.460 -5.786 1.00 3.21 H new ATOM 0 HA CYS A 32 17.014 1.809 -7.083 1.00 32.53 H new ATOM 0 HB2 CYS A 32 16.887 0.954 -4.164 1.00 33.01 H new ATOM 0 HB3 CYS A 32 15.823 2.115 -4.932 1.00 33.01 H new ATOM 440 N LYS A 33 18.800 3.505 -6.603 1.00 24.20 N ATOM 441 CA LYS A 33 19.639 4.652 -6.277 1.00 23.01 C ATOM 442 C LYS A 33 18.812 5.932 -6.220 1.00 0.23 C ATOM 443 O LYS A 33 17.892 6.124 -7.015 1.00 51.21 O ATOM 444 CB LYS A 33 20.759 4.801 -7.310 1.00 13.23 C ATOM 445 CG LYS A 33 20.266 4.794 -8.746 1.00 53.23 C ATOM 446 CD LYS A 33 21.117 5.688 -9.632 1.00 50.23 C ATOM 447 CE LYS A 33 22.549 5.183 -9.722 1.00 10.43 C ATOM 448 NZ LYS A 33 23.278 5.784 -10.873 1.00 0.21 N ATOM 0 H LYS A 33 18.590 3.405 -7.596 1.00 24.20 H new ATOM 0 HA LYS A 33 20.080 4.481 -5.295 1.00 23.01 H new ATOM 0 HB2 LYS A 33 21.293 5.732 -7.123 1.00 13.23 H new ATOM 0 HB3 LYS A 33 21.475 3.990 -7.177 1.00 13.23 H new ATOM 0 HG2 LYS A 33 20.283 3.775 -9.132 1.00 53.23 H new ATOM 0 HG3 LYS A 33 19.229 5.130 -8.777 1.00 53.23 H new ATOM 0 HD2 LYS A 33 20.682 5.732 -10.631 1.00 50.23 H new ATOM 0 HD3 LYS A 33 21.112 6.704 -9.237 1.00 50.23 H new ATOM 0 HE2 LYS A 33 23.075 5.417 -8.797 1.00 10.43 H new ATOM 0 HE3 LYS A 33 22.546 4.098 -9.821 1.00 10.43 H new ATOM 0 HZ1 LYS A 33 24.250 5.415 -10.900 1.00 0.21 H new ATOM 0 HZ2 LYS A 33 22.790 5.540 -11.759 1.00 0.21 H new ATOM 0 HZ3 LYS A 33 23.304 6.818 -10.766 1.00 0.21 H new ATOM 462 N TYR A 34 19.146 6.805 -5.276 1.00 1.20 N ATOM 463 CA TYR A 34 18.433 8.067 -5.115 1.00 22.10 C ATOM 464 C TYR A 34 18.505 8.900 -6.391 1.00 71.22 C ATOM 465 O TYR A 34 19.589 9.196 -6.891 1.00 45.12 O ATOM 466 CB TYR A 34 19.014 8.859 -3.942 1.00 61.04 C ATOM 467 CG TYR A 34 18.472 8.433 -2.597 1.00 4.25 C ATOM 468 CD1 TYR A 34 17.106 8.423 -2.347 1.00 53.20 C ATOM 469 CD2 TYR A 34 19.328 8.040 -1.575 1.00 32.15 C ATOM 470 CE1 TYR A 34 16.607 8.036 -1.119 1.00 33.34 C ATOM 471 CE2 TYR A 34 18.838 7.649 -0.343 1.00 55.44 C ATOM 472 CZ TYR A 34 17.476 7.649 -0.120 1.00 44.52 C ATOM 473 OH TYR A 34 16.983 7.261 1.104 1.00 2.45 O ATOM 0 H TYR A 34 19.906 6.662 -4.611 1.00 1.20 H new ATOM 0 HA TYR A 34 17.387 7.840 -4.909 1.00 22.10 H new ATOM 0 HB2 TYR A 34 20.098 8.746 -3.940 1.00 61.04 H new ATOM 0 HB3 TYR A 34 18.804 9.918 -4.090 1.00 61.04 H new ATOM 0 HD1 TYR A 34 16.422 8.723 -3.127 1.00 53.20 H new ATOM 0 HD2 TYR A 34 20.394 8.040 -1.746 1.00 32.15 H new ATOM 0 HE1 TYR A 34 15.542 8.036 -0.942 1.00 33.34 H new ATOM 0 HE2 TYR A 34 19.517 7.345 0.440 1.00 55.44 H new ATOM 0 HH TYR A 34 17.727 7.018 1.694 1.00 2.45 H new ATOM 483 N GLU A 35 17.340 9.274 -6.912 1.00 4.32 N ATOM 484 CA GLU A 35 17.271 10.073 -8.130 1.00 34.02 C ATOM 485 C GLU A 35 17.476 11.553 -7.822 1.00 52.51 C ATOM 486 O GLU A 35 16.590 12.215 -7.278 1.00 62.15 O ATOM 487 CB GLU A 35 15.923 9.867 -8.825 1.00 11.25 C ATOM 488 CG GLU A 35 15.852 8.593 -9.650 1.00 13.43 C ATOM 489 CD GLU A 35 14.835 8.681 -10.771 1.00 60.13 C ATOM 490 OE1 GLU A 35 13.629 8.514 -10.492 1.00 41.43 O ATOM 491 OE2 GLU A 35 15.245 8.915 -11.927 1.00 53.53 O ATOM 0 H GLU A 35 16.433 9.037 -6.510 1.00 4.32 H new ATOM 0 HA GLU A 35 18.069 9.745 -8.796 1.00 34.02 H new ATOM 0 HB2 GLU A 35 15.135 9.847 -8.072 1.00 11.25 H new ATOM 0 HB3 GLU A 35 15.723 10.721 -9.473 1.00 11.25 H new ATOM 0 HG2 GLU A 35 16.835 8.382 -10.072 1.00 13.43 H new ATOM 0 HG3 GLU A 35 15.598 7.756 -8.999 1.00 13.43 H new ATOM 498 N LEU A 36 18.650 12.067 -8.173 1.00 15.32 N ATOM 499 CA LEU A 36 18.973 13.470 -7.934 1.00 71.32 C ATOM 500 C LEU A 36 18.545 14.336 -9.115 1.00 31.43 C ATOM 501 O LEU A 36 19.381 14.912 -9.810 1.00 60.45 O ATOM 502 CB LEU A 36 20.473 13.632 -7.685 1.00 44.33 C ATOM 503 CG LEU A 36 20.944 13.402 -6.249 1.00 2.22 C ATOM 504 CD1 LEU A 36 22.453 13.219 -6.205 1.00 3.24 C ATOM 505 CD2 LEU A 36 20.519 14.559 -5.356 1.00 40.24 C ATOM 0 H LEU A 36 19.394 11.534 -8.624 1.00 15.32 H new ATOM 0 HA LEU A 36 18.426 13.798 -7.050 1.00 71.32 H new ATOM 0 HB2 LEU A 36 21.006 12.939 -8.336 1.00 44.33 H new ATOM 0 HB3 LEU A 36 20.764 14.639 -7.985 1.00 44.33 H new ATOM 0 HG LEU A 36 20.477 12.491 -5.876 1.00 2.22 H new ATOM 0 HD11 LEU A 36 22.770 13.056 -5.175 1.00 3.24 H new ATOM 0 HD12 LEU A 36 22.733 12.357 -6.811 1.00 3.24 H new ATOM 0 HD13 LEU A 36 22.939 14.112 -6.598 1.00 3.24 H new ATOM 0 HD21 LEU A 36 20.863 14.378 -4.338 1.00 40.24 H new ATOM 0 HD22 LEU A 36 20.957 15.485 -5.728 1.00 40.24 H new ATOM 0 HD23 LEU A 36 19.432 14.643 -5.362 1.00 40.24 H new TER 517 LEU A 36