USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=9 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 -140:sc= 0 USER MOD Set 1.2: A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0706 (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 USER MOD Single : A 11 ASN : amide:sc= -2.86! C(o=-2.9!,f=-2.4!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 16 GLN : amide:sc= -0.225 K(o=-0.22,f=-1.2!) 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 -52:sc= 0.012 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=-0.13) 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 1.933 0.264 0.457 1.00 32.35 N ATOM 2 CA GLY A 1 2.381 0.150 -0.918 1.00 73.42 C ATOM 3 C GLY A 1 3.325 -1.018 -1.125 1.00 43.44 C ATOM 4 O GLY A 1 3.657 -1.732 -0.180 1.00 0.33 O ATOM 0 H1 GLY A 1 0.911 0.080 0.505 1.00 32.35 H new ATOM 0 H2 GLY A 1 2.438 -0.429 1.045 1.00 32.35 H new ATOM 0 H3 GLY A 1 2.129 1.223 0.807 1.00 32.35 H new ATOM 0 HA2 GLY A 1 1.516 0.034 -1.570 1.00 73.42 H new ATOM 0 HA3 GLY A 1 2.880 1.073 -1.212 1.00 73.42 H new ATOM 8 N ALA A 2 3.759 -1.213 -2.367 1.00 35.15 N ATOM 9 CA ALA A 2 4.671 -2.302 -2.695 1.00 13.43 C ATOM 10 C ALA A 2 5.773 -1.829 -3.636 1.00 3.10 C ATOM 11 O ALA A 2 5.563 -1.705 -4.843 1.00 15.52 O ATOM 12 CB ALA A 2 3.906 -3.462 -3.315 1.00 3.04 C ATOM 0 H ALA A 2 3.494 -0.631 -3.162 1.00 35.15 H new ATOM 0 HA ALA A 2 5.139 -2.643 -1.771 1.00 13.43 H new ATOM 0 HB1 ALA A 2 4.599 -4.268 -3.555 1.00 3.04 H new ATOM 0 HB2 ALA A 2 3.159 -3.824 -2.609 1.00 3.04 H new ATOM 0 HB3 ALA A 2 3.411 -3.126 -4.226 1.00 3.04 H new ATOM 18 N CYS A 3 6.950 -1.566 -3.077 1.00 13.01 N ATOM 19 CA CYS A 3 8.086 -1.106 -3.866 1.00 1.44 C ATOM 20 C CYS A 3 9.403 -1.534 -3.224 1.00 73.45 C ATOM 21 O CYS A 3 9.414 -2.254 -2.225 1.00 60.51 O ATOM 22 CB CYS A 3 8.049 0.417 -4.011 1.00 61.03 C ATOM 23 SG CYS A 3 7.906 1.312 -2.431 1.00 73.20 S ATOM 0 H CYS A 3 7.141 -1.664 -2.080 1.00 13.01 H new ATOM 0 HA CYS A 3 8.018 -1.561 -4.854 1.00 1.44 H new ATOM 0 HB2 CYS A 3 8.955 0.745 -4.521 1.00 61.03 H new ATOM 0 HB3 CYS A 3 7.208 0.690 -4.648 1.00 61.03 H new ATOM 28 N LEU A 4 10.510 -1.087 -3.806 1.00 24.14 N ATOM 29 CA LEU A 4 11.834 -1.424 -3.292 1.00 15.45 C ATOM 30 C LEU A 4 12.543 -0.182 -2.760 1.00 61.41 C ATOM 31 O LEU A 4 12.826 0.752 -3.509 1.00 30.21 O ATOM 32 CB LEU A 4 12.677 -2.077 -4.388 1.00 20.35 C ATOM 33 CG LEU A 4 12.098 -3.347 -5.012 1.00 64.41 C ATOM 34 CD1 LEU A 4 12.893 -3.745 -6.247 1.00 13.24 C ATOM 35 CD2 LEU A 4 12.083 -4.482 -3.997 1.00 43.55 C ATOM 0 H LEU A 4 10.518 -0.491 -4.634 1.00 24.14 H new ATOM 0 HA LEU A 4 11.710 -2.129 -2.470 1.00 15.45 H new ATOM 0 HB2 LEU A 4 12.835 -1.346 -5.181 1.00 20.35 H new ATOM 0 HB3 LEU A 4 13.656 -2.314 -3.973 1.00 20.35 H new ATOM 0 HG LEU A 4 11.071 -3.144 -5.315 1.00 64.41 H new ATOM 0 HD11 LEU A 4 12.467 -4.651 -6.678 1.00 13.24 H new ATOM 0 HD12 LEU A 4 12.852 -2.940 -6.981 1.00 13.24 H new ATOM 0 HD13 LEU A 4 13.930 -3.929 -5.968 1.00 13.24 H new ATOM 0 HD21 LEU A 4 11.668 -5.378 -4.459 1.00 43.55 H new ATOM 0 HD22 LEU A 4 13.100 -4.685 -3.663 1.00 43.55 H new ATOM 0 HD23 LEU A 4 11.470 -4.197 -3.142 1.00 43.55 H new ATOM 47 N GLY A 5 12.830 -0.181 -1.462 1.00 20.12 N ATOM 48 CA GLY A 5 13.506 0.949 -0.853 1.00 2.34 C ATOM 49 C GLY A 5 14.937 1.095 -1.331 1.00 3.15 C ATOM 50 O GLY A 5 15.401 0.322 -2.169 1.00 24.12 O ATOM 0 H GLY A 5 12.606 -0.943 -0.821 1.00 20.12 H new ATOM 0 HA2 GLY A 5 12.956 1.862 -1.079 1.00 2.34 H new ATOM 0 HA3 GLY A 5 13.498 0.832 0.231 1.00 2.34 H new ATOM 54 N PHE A 6 15.639 2.090 -0.798 1.00 11.11 N ATOM 55 CA PHE A 6 17.025 2.337 -1.177 1.00 63.41 C ATOM 56 C PHE A 6 17.928 1.200 -0.707 1.00 2.04 C ATOM 57 O PHE A 6 17.864 0.778 0.447 1.00 15.22 O ATOM 58 CB PHE A 6 17.509 3.664 -0.589 1.00 72.11 C ATOM 59 CG PHE A 6 18.941 3.977 -0.914 1.00 24.01 C ATOM 60 CD1 PHE A 6 19.286 4.507 -2.147 1.00 1.12 C ATOM 61 CD2 PHE A 6 19.943 3.742 0.014 1.00 63.33 C ATOM 62 CE1 PHE A 6 20.604 4.795 -2.448 1.00 53.34 C ATOM 63 CE2 PHE A 6 21.263 4.028 -0.282 1.00 53.31 C ATOM 64 CZ PHE A 6 21.593 4.557 -1.515 1.00 20.24 C ATOM 0 H PHE A 6 15.270 2.738 -0.102 1.00 11.11 H new ATOM 0 HA PHE A 6 17.074 2.391 -2.265 1.00 63.41 H new ATOM 0 HB2 PHE A 6 16.876 4.469 -0.961 1.00 72.11 H new ATOM 0 HB3 PHE A 6 17.388 3.638 0.494 1.00 72.11 H new ATOM 0 HD1 PHE A 6 18.517 4.697 -2.881 1.00 1.12 H new ATOM 0 HD2 PHE A 6 19.690 3.331 0.980 1.00 63.33 H new ATOM 0 HE1 PHE A 6 20.860 5.206 -3.413 1.00 53.34 H new ATOM 0 HE2 PHE A 6 22.035 3.838 0.449 1.00 53.31 H new ATOM 0 HZ PHE A 6 22.623 4.784 -1.748 1.00 20.24 H new ATOM 74 N GLY A 7 18.770 0.708 -1.611 1.00 2.15 N ATOM 75 CA GLY A 7 19.674 -0.375 -1.270 1.00 72.33 C ATOM 76 C GLY A 7 19.075 -1.739 -1.551 1.00 20.44 C ATOM 77 O GLY A 7 19.556 -2.753 -1.044 1.00 31.30 O ATOM 0 H GLY A 7 18.842 1.040 -2.573 1.00 2.15 H new ATOM 0 HA2 GLY A 7 20.599 -0.264 -1.836 1.00 72.33 H new ATOM 0 HA3 GLY A 7 19.936 -0.307 -0.214 1.00 72.33 H new ATOM 81 N LYS A 8 18.021 -1.766 -2.359 1.00 32.21 N ATOM 82 CA LYS A 8 17.354 -3.015 -2.706 1.00 60.53 C ATOM 83 C LYS A 8 17.767 -3.484 -4.098 1.00 22.01 C ATOM 84 O LYS A 8 18.115 -2.675 -4.958 1.00 1.22 O ATOM 85 CB LYS A 8 15.835 -2.841 -2.646 1.00 11.34 C ATOM 86 CG LYS A 8 15.324 -2.437 -1.274 1.00 15.53 C ATOM 87 CD LYS A 8 15.432 -3.580 -0.279 1.00 4.11 C ATOM 88 CE LYS A 8 16.686 -3.460 0.573 1.00 5.34 C ATOM 89 NZ LYS A 8 17.194 -4.792 1.005 1.00 53.32 N ATOM 0 H LYS A 8 17.610 -0.936 -2.786 1.00 32.21 H new ATOM 0 HA LYS A 8 17.656 -3.771 -1.982 1.00 60.53 H new ATOM 0 HB2 LYS A 8 15.535 -2.086 -3.373 1.00 11.34 H new ATOM 0 HB3 LYS A 8 15.358 -3.776 -2.941 1.00 11.34 H new ATOM 0 HG2 LYS A 8 15.894 -1.582 -0.910 1.00 15.53 H new ATOM 0 HG3 LYS A 8 14.285 -2.118 -1.351 1.00 15.53 H new ATOM 0 HD2 LYS A 8 14.553 -3.588 0.365 1.00 4.11 H new ATOM 0 HD3 LYS A 8 15.444 -4.530 -0.814 1.00 4.11 H new ATOM 0 HE2 LYS A 8 17.461 -2.942 0.008 1.00 5.34 H new ATOM 0 HE3 LYS A 8 16.471 -2.851 1.451 1.00 5.34 H new ATOM 0 HZ1 LYS A 8 18.049 -4.667 1.583 1.00 53.32 H new ATOM 0 HZ2 LYS A 8 16.465 -5.276 1.566 1.00 53.32 H new ATOM 0 HZ3 LYS A 8 17.423 -5.364 0.168 1.00 53.32 H new ATOM 103 N SER A 9 17.725 -4.795 -4.313 1.00 20.13 N ATOM 104 CA SER A 9 18.097 -5.371 -5.600 1.00 23.25 C ATOM 105 C SER A 9 16.931 -5.308 -6.581 1.00 32.32 C ATOM 106 O SER A 9 15.957 -6.051 -6.454 1.00 13.21 O ATOM 107 CB SER A 9 18.551 -6.821 -5.421 1.00 33.41 C ATOM 108 OG SER A 9 19.783 -6.888 -4.725 1.00 22.42 O ATOM 0 H SER A 9 17.437 -5.478 -3.613 1.00 20.13 H new ATOM 0 HA SER A 9 18.922 -4.787 -6.007 1.00 23.25 H new ATOM 0 HB2 SER A 9 17.790 -7.379 -4.874 1.00 33.41 H new ATOM 0 HB3 SER A 9 18.655 -7.296 -6.397 1.00 33.41 H new ATOM 0 HG SER A 9 20.050 -7.825 -4.622 1.00 22.42 H new ATOM 114 N CYS A 10 17.037 -4.416 -7.560 1.00 31.22 N ATOM 115 CA CYS A 10 15.992 -4.254 -8.564 1.00 3.13 C ATOM 116 C CYS A 10 16.508 -4.626 -9.951 1.00 5.42 C ATOM 117 O CYS A 10 17.685 -4.942 -10.122 1.00 72.12 O ATOM 118 CB CYS A 10 15.479 -2.812 -8.568 1.00 24.52 C ATOM 119 SG CYS A 10 16.783 -1.560 -8.793 1.00 11.02 S ATOM 0 H CYS A 10 17.836 -3.794 -7.680 1.00 31.22 H new ATOM 0 HA CYS A 10 15.171 -4.924 -8.309 1.00 3.13 H new ATOM 0 HB2 CYS A 10 14.743 -2.702 -9.364 1.00 24.52 H new ATOM 0 HB3 CYS A 10 14.963 -2.619 -7.628 1.00 24.52 H new ATOM 124 N ASN A 11 15.619 -4.584 -10.938 1.00 21.23 N ATOM 125 CA ASN A 11 15.984 -4.917 -12.310 1.00 2.11 C ATOM 126 C ASN A 11 15.950 -3.677 -13.198 1.00 2.43 C ATOM 127 O ASN A 11 15.041 -2.850 -13.118 1.00 20.30 O ATOM 128 CB ASN A 11 15.038 -5.983 -12.867 1.00 45.32 C ATOM 129 CG ASN A 11 15.579 -6.634 -14.125 1.00 71.34 C ATOM 130 OD1 ASN A 11 16.511 -7.437 -14.071 1.00 51.10 O ATOM 131 ND2 ASN A 11 14.995 -6.291 -15.267 1.00 54.33 N ATOM 0 H ASN A 11 14.641 -4.323 -10.813 1.00 21.23 H new ATOM 0 HA ASN A 11 17.001 -5.310 -12.304 1.00 2.11 H new ATOM 0 HB2 ASN A 11 14.870 -6.748 -12.109 1.00 45.32 H new ATOM 0 HB3 ASN A 11 14.071 -5.530 -13.083 1.00 45.32 H new ATOM 0 HD21 ASN A 11 15.316 -6.697 -16.146 1.00 54.33 H new ATOM 0 HD22 ASN A 11 14.226 -5.621 -15.265 1.00 54.33 H new ATOM 138 N PRO A 12 16.964 -3.542 -14.065 1.00 62.14 N ATOM 139 CA PRO A 12 17.073 -2.406 -14.986 1.00 30.50 C ATOM 140 C PRO A 12 16.012 -2.444 -16.081 1.00 21.03 C ATOM 141 O PRO A 12 15.435 -1.416 -16.435 1.00 5.10 O ATOM 142 CB PRO A 12 18.470 -2.572 -15.589 1.00 41.53 C ATOM 143 CG PRO A 12 18.763 -4.028 -15.474 1.00 52.32 C ATOM 144 CD PRO A 12 18.082 -4.489 -14.215 1.00 4.51 C ATOM 0 HA PRO A 12 16.923 -1.453 -14.478 1.00 30.50 H new ATOM 0 HB2 PRO A 12 18.494 -2.245 -16.628 1.00 41.53 H new ATOM 0 HB3 PRO A 12 19.207 -1.976 -15.050 1.00 41.53 H new ATOM 0 HG2 PRO A 12 18.388 -4.571 -16.342 1.00 52.32 H new ATOM 0 HG3 PRO A 12 19.837 -4.207 -15.425 1.00 52.32 H new ATOM 0 HD2 PRO A 12 17.729 -5.517 -14.302 1.00 4.51 H new ATOM 0 HD3 PRO A 12 18.755 -4.455 -13.358 1.00 4.51 H new ATOM 152 N SER A 13 15.759 -3.636 -16.613 1.00 2.43 N ATOM 153 CA SER A 13 14.770 -3.806 -17.670 1.00 35.21 C ATOM 154 C SER A 13 13.372 -3.454 -17.168 1.00 44.22 C ATOM 155 O SER A 13 12.481 -3.136 -17.954 1.00 10.40 O ATOM 156 CB SER A 13 14.789 -5.245 -18.189 1.00 25.31 C ATOM 157 OG SER A 13 14.645 -5.281 -19.598 1.00 73.31 O ATOM 0 H SER A 13 16.225 -4.498 -16.329 1.00 2.43 H new ATOM 0 HA SER A 13 15.026 -3.129 -18.485 1.00 35.21 H new ATOM 0 HB2 SER A 13 15.725 -5.725 -17.904 1.00 25.31 H new ATOM 0 HB3 SER A 13 13.984 -5.813 -17.723 1.00 25.31 H new ATOM 0 HG SER A 13 14.662 -6.212 -19.905 1.00 73.31 H new ATOM 163 N ASN A 14 13.190 -3.514 -15.853 1.00 43.50 N ATOM 164 CA ASN A 14 11.902 -3.202 -15.245 1.00 0.52 C ATOM 165 C ASN A 14 12.090 -2.523 -13.891 1.00 75.31 C ATOM 166 O ASN A 14 11.765 -3.093 -12.849 1.00 74.34 O ATOM 167 CB ASN A 14 11.071 -4.475 -15.079 1.00 21.52 C ATOM 168 CG ASN A 14 9.581 -4.196 -15.067 1.00 74.23 C ATOM 169 OD1 ASN A 14 9.138 -3.150 -14.594 1.00 14.41 O ATOM 170 ND2 ASN A 14 8.799 -5.134 -15.590 1.00 30.03 N ATOM 0 H ASN A 14 13.918 -3.776 -15.188 1.00 43.50 H new ATOM 0 HA ASN A 14 11.373 -2.515 -15.906 1.00 0.52 H new ATOM 0 HB2 ASN A 14 11.302 -5.165 -15.891 1.00 21.52 H new ATOM 0 HB3 ASN A 14 11.352 -4.971 -14.150 1.00 21.52 H new ATOM 0 HD21 ASN A 14 7.788 -5.002 -15.610 1.00 30.03 H new ATOM 0 HD22 ASN A 14 9.210 -5.986 -15.971 1.00 30.03 H new ATOM 177 N ASP A 15 12.615 -1.303 -13.915 1.00 31.43 N ATOM 178 CA ASP A 15 12.844 -0.546 -12.690 1.00 23.02 C ATOM 179 C ASP A 15 11.590 -0.523 -11.822 1.00 53.33 C ATOM 180 O ASP A 15 10.550 -0.010 -12.233 1.00 55.55 O ATOM 181 CB ASP A 15 13.276 0.883 -13.022 1.00 4.11 C ATOM 182 CG ASP A 15 12.347 1.553 -14.015 1.00 63.34 C ATOM 183 OD1 ASP A 15 12.480 1.283 -15.228 1.00 21.44 O ATOM 184 OD2 ASP A 15 11.487 2.346 -13.581 1.00 11.14 O ATOM 0 H ASP A 15 12.890 -0.817 -14.769 1.00 31.43 H new ATOM 0 HA ASP A 15 13.641 -1.038 -12.132 1.00 23.02 H new ATOM 0 HB2 ASP A 15 13.309 1.472 -12.105 1.00 4.11 H new ATOM 0 HB3 ASP A 15 14.288 0.869 -13.428 1.00 4.11 H new ATOM 189 N GLN A 16 11.696 -1.083 -10.622 1.00 2.44 N ATOM 190 CA GLN A 16 10.569 -1.127 -9.697 1.00 62.34 C ATOM 191 C GLN A 16 11.014 -0.783 -8.280 1.00 31.13 C ATOM 192 O GLN A 16 11.163 -1.665 -7.433 1.00 43.22 O ATOM 193 CB GLN A 16 9.919 -2.512 -9.719 1.00 5.12 C ATOM 194 CG GLN A 16 9.432 -2.934 -11.095 1.00 62.15 C ATOM 195 CD GLN A 16 7.989 -3.399 -11.087 1.00 3.14 C ATOM 196 OE1 GLN A 16 7.177 -2.925 -10.292 1.00 1.33 O ATOM 197 NE2 GLN A 16 7.662 -4.332 -11.973 1.00 40.32 N ATOM 0 H GLN A 16 12.550 -1.513 -10.267 1.00 2.44 H new ATOM 0 HA GLN A 16 9.838 -0.385 -10.018 1.00 62.34 H new ATOM 0 HB2 GLN A 16 10.637 -3.247 -9.356 1.00 5.12 H new ATOM 0 HB3 GLN A 16 9.077 -2.520 -9.027 1.00 5.12 H new ATOM 0 HG2 GLN A 16 9.536 -2.097 -11.785 1.00 62.15 H new ATOM 0 HG3 GLN A 16 10.066 -3.737 -11.470 1.00 62.15 H new ATOM 0 HE21 GLN A 16 8.367 -4.697 -12.613 1.00 40.32 H new ATOM 0 HE22 GLN A 16 6.706 -4.684 -12.014 1.00 40.32 H new ATOM 206 N CYS A 17 11.224 0.504 -8.027 1.00 44.42 N ATOM 207 CA CYS A 17 11.653 0.966 -6.712 1.00 51.25 C ATOM 208 C CYS A 17 10.595 1.867 -6.081 1.00 22.21 C ATOM 209 O CYS A 17 9.505 2.039 -6.626 1.00 53.43 O ATOM 210 CB CYS A 17 12.981 1.719 -6.821 1.00 35.21 C ATOM 211 SG CYS A 17 14.396 0.668 -7.279 1.00 71.52 S ATOM 0 H CYS A 17 11.104 1.247 -8.716 1.00 44.42 H new ATOM 0 HA CYS A 17 11.790 0.093 -6.074 1.00 51.25 H new ATOM 0 HB2 CYS A 17 12.877 2.512 -7.561 1.00 35.21 H new ATOM 0 HB3 CYS A 17 13.193 2.200 -5.866 1.00 35.21 H new ATOM 216 N CYS A 18 10.925 2.439 -4.928 1.00 23.01 N ATOM 217 CA CYS A 18 10.006 3.322 -4.221 1.00 35.33 C ATOM 218 C CYS A 18 10.124 4.754 -4.733 1.00 50.24 C ATOM 219 O CYS A 18 11.052 5.479 -4.375 1.00 2.21 O ATOM 220 CB CYS A 18 10.283 3.282 -2.717 1.00 14.14 C ATOM 221 SG CYS A 18 9.897 1.684 -1.931 1.00 50.24 S ATOM 0 H CYS A 18 11.823 2.306 -4.463 1.00 23.01 H new ATOM 0 HA CYS A 18 8.991 2.972 -4.406 1.00 35.33 H new ATOM 0 HB2 CYS A 18 11.334 3.514 -2.546 1.00 14.14 H new ATOM 0 HB3 CYS A 18 9.700 4.064 -2.230 1.00 14.14 H new ATOM 226 N LYS A 19 9.177 5.156 -5.574 1.00 70.24 N ATOM 227 CA LYS A 19 9.172 6.501 -6.136 1.00 44.32 C ATOM 228 C LYS A 19 8.962 7.546 -5.045 1.00 25.12 C ATOM 229 O LYS A 19 9.483 8.658 -5.128 1.00 45.14 O ATOM 230 CB LYS A 19 8.077 6.629 -7.197 1.00 51.51 C ATOM 231 CG LYS A 19 8.173 5.589 -8.299 1.00 74.51 C ATOM 232 CD LYS A 19 9.486 5.697 -9.056 1.00 74.00 C ATOM 233 CE LYS A 19 9.482 4.829 -10.305 1.00 63.10 C ATOM 234 NZ LYS A 19 10.759 4.943 -11.063 1.00 21.41 N ATOM 0 H LYS A 19 8.402 4.568 -5.882 1.00 70.24 H new ATOM 0 HA LYS A 19 10.142 6.677 -6.601 1.00 44.32 H new ATOM 0 HB2 LYS A 19 7.103 6.545 -6.714 1.00 51.51 H new ATOM 0 HB3 LYS A 19 8.128 7.623 -7.642 1.00 51.51 H new ATOM 0 HG2 LYS A 19 8.081 4.592 -7.868 1.00 74.51 H new ATOM 0 HG3 LYS A 19 7.341 5.714 -8.992 1.00 74.51 H new ATOM 0 HD2 LYS A 19 9.662 6.736 -9.334 1.00 74.00 H new ATOM 0 HD3 LYS A 19 10.308 5.397 -8.406 1.00 74.00 H new ATOM 0 HE2 LYS A 19 9.318 3.789 -10.024 1.00 63.10 H new ATOM 0 HE3 LYS A 19 8.651 5.120 -10.947 1.00 63.10 H new ATOM 0 HZ1 LYS A 19 10.717 4.337 -11.907 1.00 21.41 H new ATOM 0 HZ2 LYS A 19 10.903 5.931 -11.353 1.00 21.41 H new ATOM 0 HZ3 LYS A 19 11.550 4.641 -10.459 1.00 21.41 H new ATOM 248 N SER A 20 8.198 7.180 -4.021 1.00 55.31 N ATOM 249 CA SER A 20 7.917 8.087 -2.914 1.00 43.11 C ATOM 250 C SER A 20 9.212 8.602 -2.292 1.00 71.42 C ATOM 251 O SER A 20 9.295 9.755 -1.871 1.00 4.14 O ATOM 252 CB SER A 20 7.072 7.382 -1.851 1.00 45.20 C ATOM 253 OG SER A 20 6.243 8.304 -1.165 1.00 72.23 O ATOM 0 H SER A 20 7.762 6.262 -3.935 1.00 55.31 H new ATOM 0 HA SER A 20 7.359 8.937 -3.306 1.00 43.11 H new ATOM 0 HB2 SER A 20 6.457 6.615 -2.321 1.00 45.20 H new ATOM 0 HB3 SER A 20 7.725 6.876 -1.140 1.00 45.20 H new ATOM 0 HG SER A 20 5.712 7.829 -0.492 1.00 72.23 H new ATOM 259 N SER A 21 10.220 7.737 -2.239 1.00 31.22 N ATOM 260 CA SER A 21 11.510 8.101 -1.665 1.00 41.22 C ATOM 261 C SER A 21 12.491 8.518 -2.756 1.00 44.54 C ATOM 262 O SER A 21 13.705 8.512 -2.551 1.00 10.43 O ATOM 263 CB SER A 21 12.086 6.930 -0.866 1.00 51.34 C ATOM 264 OG SER A 21 12.978 7.386 0.136 1.00 15.41 O ATOM 0 H SER A 21 10.168 6.779 -2.587 1.00 31.22 H new ATOM 0 HA SER A 21 11.356 8.947 -0.995 1.00 41.22 H new ATOM 0 HB2 SER A 21 11.275 6.366 -0.406 1.00 51.34 H new ATOM 0 HB3 SER A 21 12.607 6.248 -1.538 1.00 51.34 H new ATOM 0 HG SER A 21 13.649 7.976 -0.267 1.00 15.41 H new ATOM 270 N SER A 22 11.956 8.881 -3.918 1.00 20.51 N ATOM 271 CA SER A 22 12.783 9.297 -5.044 1.00 44.41 C ATOM 272 C SER A 22 13.844 8.246 -5.357 1.00 40.43 C ATOM 273 O SER A 22 15.044 8.518 -5.289 1.00 55.31 O ATOM 274 CB SER A 22 13.453 10.640 -4.743 1.00 74.22 C ATOM 275 OG SER A 22 12.590 11.721 -5.055 1.00 25.45 O ATOM 0 H SER A 22 10.953 8.895 -4.104 1.00 20.51 H new ATOM 0 HA SER A 22 12.138 9.407 -5.915 1.00 44.41 H new ATOM 0 HB2 SER A 22 13.730 10.684 -3.690 1.00 74.22 H new ATOM 0 HB3 SER A 22 14.374 10.728 -5.319 1.00 74.22 H new ATOM 0 HG SER A 22 13.040 12.568 -4.852 1.00 25.45 H new ATOM 281 N LEU A 23 13.394 7.045 -5.701 1.00 34.22 N ATOM 282 CA LEU A 23 14.303 5.951 -6.025 1.00 73.02 C ATOM 283 C LEU A 23 14.162 5.542 -7.488 1.00 24.11 C ATOM 284 O LEU A 23 13.171 5.866 -8.141 1.00 42.20 O ATOM 285 CB LEU A 23 14.030 4.749 -5.119 1.00 54.02 C ATOM 286 CG LEU A 23 14.317 4.951 -3.631 1.00 44.11 C ATOM 287 CD1 LEU A 23 14.040 3.673 -2.855 1.00 64.34 C ATOM 288 CD2 LEU A 23 15.756 5.403 -3.422 1.00 75.35 C ATOM 0 H LEU A 23 12.405 6.804 -5.763 1.00 34.22 H new ATOM 0 HA LEU A 23 15.323 6.298 -5.860 1.00 73.02 H new ATOM 0 HB2 LEU A 23 12.984 4.465 -5.231 1.00 54.02 H new ATOM 0 HB3 LEU A 23 14.628 3.909 -5.473 1.00 54.02 H new ATOM 0 HG LEU A 23 13.654 5.730 -3.255 1.00 44.11 H new ATOM 0 HD11 LEU A 23 14.250 3.836 -1.798 1.00 64.34 H new ATOM 0 HD12 LEU A 23 12.994 3.392 -2.978 1.00 64.34 H new ATOM 0 HD13 LEU A 23 14.677 2.873 -3.232 1.00 64.34 H new ATOM 0 HD21 LEU A 23 15.943 5.542 -2.357 1.00 75.35 H new ATOM 0 HD22 LEU A 23 16.436 4.646 -3.814 1.00 75.35 H new ATOM 0 HD23 LEU A 23 15.921 6.345 -3.945 1.00 75.35 H new ATOM 300 N ALA A 24 15.161 4.826 -7.995 1.00 53.11 N ATOM 301 CA ALA A 24 15.147 4.369 -9.379 1.00 74.11 C ATOM 302 C ALA A 24 16.182 3.272 -9.606 1.00 11.44 C ATOM 303 O ALA A 24 17.210 3.226 -8.929 1.00 71.43 O ATOM 304 CB ALA A 24 15.396 5.536 -10.323 1.00 71.10 C ATOM 0 H ALA A 24 15.990 4.550 -7.468 1.00 53.11 H new ATOM 0 HA ALA A 24 14.162 3.951 -9.587 1.00 74.11 H new ATOM 0 HB1 ALA A 24 15.383 5.180 -11.353 1.00 71.10 H new ATOM 0 HB2 ALA A 24 14.616 6.286 -10.188 1.00 71.10 H new ATOM 0 HB3 ALA A 24 16.367 5.980 -10.105 1.00 71.10 H new ATOM 310 N CYS A 25 15.904 2.391 -10.560 1.00 62.04 N ATOM 311 CA CYS A 25 16.810 1.293 -10.876 1.00 4.52 C ATOM 312 C CYS A 25 17.726 1.661 -12.040 1.00 53.31 C ATOM 313 O CYS A 25 17.273 1.814 -13.175 1.00 23.33 O ATOM 314 CB CYS A 25 16.017 0.031 -11.216 1.00 75.41 C ATOM 315 SG CYS A 25 16.914 -1.521 -10.894 1.00 22.43 S ATOM 0 H CYS A 25 15.058 2.416 -11.129 1.00 62.04 H new ATOM 0 HA CYS A 25 17.427 1.100 -9.998 1.00 4.52 H new ATOM 0 HB2 CYS A 25 15.092 0.030 -10.639 1.00 75.41 H new ATOM 0 HB3 CYS A 25 15.736 0.064 -12.269 1.00 75.41 H new ATOM 320 N SER A 26 19.015 1.802 -11.750 1.00 63.12 N ATOM 321 CA SER A 26 19.994 2.155 -12.772 1.00 2.24 C ATOM 322 C SER A 26 20.688 0.909 -13.313 1.00 4.11 C ATOM 323 O SER A 26 21.002 -0.017 -12.564 1.00 4.32 O ATOM 324 CB SER A 26 21.032 3.123 -12.200 1.00 51.44 C ATOM 325 OG SER A 26 21.281 4.191 -13.098 1.00 5.32 O ATOM 0 H SER A 26 19.406 1.677 -10.816 1.00 63.12 H new ATOM 0 HA SER A 26 19.467 2.641 -13.593 1.00 2.24 H new ATOM 0 HB2 SER A 26 20.679 3.519 -11.248 1.00 51.44 H new ATOM 0 HB3 SER A 26 21.960 2.589 -11.999 1.00 51.44 H new ATOM 0 HG SER A 26 22.239 4.398 -13.103 1.00 5.32 H new ATOM 331 N THR A 27 20.926 0.892 -14.621 1.00 13.41 N ATOM 332 CA THR A 27 21.581 -0.239 -15.264 1.00 62.04 C ATOM 333 C THR A 27 23.086 -0.212 -15.023 1.00 62.43 C ATOM 334 O THR A 27 23.815 -1.093 -15.482 1.00 13.24 O ATOM 335 CB THR A 27 21.316 -0.253 -16.782 1.00 30.43 C ATOM 336 OG1 THR A 27 20.110 0.460 -17.075 1.00 14.21 O ATOM 337 CG2 THR A 27 21.206 -1.680 -17.298 1.00 53.03 C ATOM 0 H THR A 27 20.674 1.650 -15.256 1.00 13.41 H new ATOM 0 HA THR A 27 21.161 -1.142 -14.821 1.00 62.04 H new ATOM 0 HB THR A 27 22.155 0.233 -17.280 1.00 30.43 H new ATOM 0 HG1 THR A 27 19.950 0.448 -18.042 1.00 14.21 H new ATOM 0 HG21 THR A 27 21.019 -1.665 -18.372 1.00 53.03 H new ATOM 0 HG22 THR A 27 22.137 -2.212 -17.099 1.00 53.03 H new ATOM 0 HG23 THR A 27 20.384 -2.187 -16.793 1.00 53.03 H new ATOM 345 N LYS A 28 23.547 0.803 -14.300 1.00 71.25 N ATOM 346 CA LYS A 28 24.966 0.944 -13.996 1.00 31.11 C ATOM 347 C LYS A 28 25.322 0.208 -12.708 1.00 13.31 C ATOM 348 O LYS A 28 26.278 -0.566 -12.668 1.00 20.45 O ATOM 349 CB LYS A 28 25.337 2.423 -13.870 1.00 52.30 C ATOM 350 CG LYS A 28 26.828 2.688 -13.982 1.00 43.01 C ATOM 351 CD LYS A 28 27.109 4.025 -14.647 1.00 71.14 C ATOM 352 CE LYS A 28 28.267 3.927 -15.628 1.00 43.22 C ATOM 353 NZ LYS A 28 28.698 5.268 -16.113 1.00 23.40 N ATOM 0 H LYS A 28 22.958 1.541 -13.913 1.00 71.25 H new ATOM 0 HA LYS A 28 25.533 0.502 -14.815 1.00 31.11 H new ATOM 0 HB2 LYS A 28 24.817 2.987 -14.645 1.00 52.30 H new ATOM 0 HB3 LYS A 28 24.981 2.798 -12.910 1.00 52.30 H new ATOM 0 HG2 LYS A 28 27.277 2.673 -12.989 1.00 43.01 H new ATOM 0 HG3 LYS A 28 27.298 1.889 -14.556 1.00 43.01 H new ATOM 0 HD2 LYS A 28 26.216 4.367 -15.170 1.00 71.14 H new ATOM 0 HD3 LYS A 28 27.338 4.770 -13.885 1.00 71.14 H new ATOM 0 HE2 LYS A 28 29.108 3.427 -15.148 1.00 43.22 H new ATOM 0 HE3 LYS A 28 27.972 3.311 -16.478 1.00 43.22 H new ATOM 0 HZ1 LYS A 28 29.489 5.158 -16.779 1.00 23.40 H new ATOM 0 HZ2 LYS A 28 27.903 5.735 -16.593 1.00 23.40 H new ATOM 0 HZ3 LYS A 28 29.004 5.848 -15.305 1.00 23.40 H new ATOM 367 N HIS A 29 24.545 0.455 -11.657 1.00 64.43 N ATOM 368 CA HIS A 29 24.778 -0.187 -10.368 1.00 11.51 C ATOM 369 C HIS A 29 23.748 -1.283 -10.113 1.00 11.24 C ATOM 370 O HIS A 29 23.959 -2.167 -9.282 1.00 11.41 O ATOM 371 CB HIS A 29 24.728 0.848 -9.244 1.00 12.44 C ATOM 372 CG HIS A 29 25.835 1.855 -9.306 1.00 40.03 C ATOM 373 ND1 HIS A 29 27.091 1.563 -9.793 1.00 64.55 N ATOM 374 CD2 HIS A 29 25.869 3.158 -8.941 1.00 74.01 C ATOM 375 CE1 HIS A 29 27.850 2.641 -9.724 1.00 5.53 C ATOM 376 NE2 HIS A 29 27.132 3.624 -9.210 1.00 60.24 N ATOM 0 H HIS A 29 23.750 1.094 -11.673 1.00 64.43 H new ATOM 0 HA HIS A 29 25.768 -0.642 -10.389 1.00 11.51 H new ATOM 0 HB2 HIS A 29 23.771 1.369 -9.284 1.00 12.44 H new ATOM 0 HB3 HIS A 29 24.770 0.332 -8.285 1.00 12.44 H new ATOM 0 HD2 HIS A 29 25.054 3.726 -8.517 1.00 74.01 H new ATOM 0 HE1 HIS A 29 28.882 2.708 -10.035 1.00 5.53 H new ATOM 0 HE2 HIS A 29 27.462 4.574 -9.041 1.00 60.24 H new ATOM 384 N LYS A 30 22.632 -1.219 -10.832 1.00 5.12 N ATOM 385 CA LYS A 30 21.569 -2.205 -10.684 1.00 60.45 C ATOM 386 C LYS A 30 21.028 -2.213 -9.258 1.00 73.25 C ATOM 387 O LYS A 30 21.127 -3.217 -8.553 1.00 2.25 O ATOM 388 CB LYS A 30 22.083 -3.599 -11.054 1.00 1.23 C ATOM 389 CG LYS A 30 21.984 -3.910 -12.537 1.00 32.40 C ATOM 390 CD LYS A 30 21.786 -5.397 -12.782 1.00 55.24 C ATOM 391 CE LYS A 30 23.059 -6.182 -12.508 1.00 41.21 C ATOM 392 NZ LYS A 30 23.998 -6.137 -13.663 1.00 51.01 N ATOM 0 H LYS A 30 22.441 -0.494 -11.523 1.00 5.12 H new ATOM 0 HA LYS A 30 20.758 -1.932 -11.359 1.00 60.45 H new ATOM 0 HB2 LYS A 30 23.123 -3.688 -10.741 1.00 1.23 H new ATOM 0 HB3 LYS A 30 21.517 -4.345 -10.496 1.00 1.23 H new ATOM 0 HG2 LYS A 30 21.153 -3.355 -12.972 1.00 32.40 H new ATOM 0 HG3 LYS A 30 22.890 -3.574 -13.042 1.00 32.40 H new ATOM 0 HD2 LYS A 30 20.984 -5.768 -12.144 1.00 55.24 H new ATOM 0 HD3 LYS A 30 21.473 -5.558 -13.814 1.00 55.24 H new ATOM 0 HE2 LYS A 30 23.552 -5.778 -11.624 1.00 41.21 H new ATOM 0 HE3 LYS A 30 22.806 -7.219 -12.286 1.00 41.21 H new ATOM 0 HZ1 LYS A 30 24.853 -6.684 -13.437 1.00 51.01 H new ATOM 0 HZ2 LYS A 30 23.537 -6.546 -14.501 1.00 51.01 H new ATOM 0 HZ3 LYS A 30 24.260 -5.150 -13.859 1.00 51.01 H new ATOM 406 N TRP A 31 20.455 -1.090 -8.842 1.00 55.13 N ATOM 407 CA TRP A 31 19.896 -0.969 -7.500 1.00 41.33 C ATOM 408 C TRP A 31 19.163 0.358 -7.334 1.00 32.44 C ATOM 409 O TRP A 31 19.432 1.322 -8.051 1.00 21.32 O ATOM 410 CB TRP A 31 21.003 -1.089 -6.452 1.00 44.31 C ATOM 411 CG TRP A 31 21.816 0.161 -6.301 1.00 2.41 C ATOM 412 CD1 TRP A 31 22.216 1.005 -7.298 1.00 63.51 C ATOM 413 CD2 TRP A 31 22.329 0.708 -5.081 1.00 63.30 C ATOM 414 NE1 TRP A 31 22.947 2.042 -6.771 1.00 42.15 N ATOM 415 CE2 TRP A 31 23.030 1.884 -5.413 1.00 62.44 C ATOM 416 CE3 TRP A 31 22.263 0.319 -3.740 1.00 42.43 C ATOM 417 CZ2 TRP A 31 23.660 2.671 -4.453 1.00 71.03 C ATOM 418 CZ3 TRP A 31 22.889 1.102 -2.789 1.00 21.24 C ATOM 419 CH2 TRP A 31 23.579 2.267 -3.148 1.00 43.03 C ATOM 0 H TRP A 31 20.365 -0.250 -9.414 1.00 55.13 H new ATOM 0 HA TRP A 31 19.180 -1.779 -7.356 1.00 41.33 H new ATOM 0 HB2 TRP A 31 20.557 -1.342 -5.490 1.00 44.31 H new ATOM 0 HB3 TRP A 31 21.663 -1.913 -6.724 1.00 44.31 H new ATOM 0 HD1 TRP A 31 21.991 0.876 -8.346 1.00 63.51 H new ATOM 0 HE1 TRP A 31 23.361 2.806 -7.305 1.00 42.15 H new ATOM 0 HE3 TRP A 31 21.733 -0.577 -3.453 1.00 42.43 H new ATOM 0 HZ2 TRP A 31 24.194 3.569 -4.728 1.00 71.03 H new ATOM 0 HZ3 TRP A 31 22.845 0.810 -1.750 1.00 21.24 H new ATOM 0 HH2 TRP A 31 24.056 2.858 -2.380 1.00 43.03 H new ATOM 430 N CYS A 32 18.235 0.401 -6.383 1.00 60.53 N ATOM 431 CA CYS A 32 17.462 1.609 -6.122 1.00 63.13 C ATOM 432 C CYS A 32 18.362 2.731 -5.612 1.00 65.35 C ATOM 433 O CYS A 32 18.638 2.826 -4.416 1.00 63.24 O ATOM 434 CB CYS A 32 16.358 1.323 -5.103 1.00 21.13 C ATOM 435 SG CYS A 32 15.230 -0.023 -5.586 1.00 54.25 S ATOM 0 H CYS A 32 18.000 -0.388 -5.780 1.00 60.53 H new ATOM 0 HA CYS A 32 17.008 1.929 -7.060 1.00 63.13 H new ATOM 0 HB2 CYS A 32 16.817 1.072 -4.147 1.00 21.13 H new ATOM 0 HB3 CYS A 32 15.777 2.232 -4.949 1.00 21.13 H new ATOM 440 N LYS A 33 18.818 3.579 -6.528 1.00 74.14 N ATOM 441 CA LYS A 33 19.685 4.696 -6.174 1.00 22.33 C ATOM 442 C LYS A 33 18.895 5.999 -6.107 1.00 20.33 C ATOM 443 O LYS A 33 17.977 6.220 -6.896 1.00 53.23 O ATOM 444 CB LYS A 33 20.822 4.828 -7.190 1.00 30.13 C ATOM 445 CG LYS A 33 20.350 4.832 -8.633 1.00 71.24 C ATOM 446 CD LYS A 33 21.312 5.591 -9.532 1.00 74.55 C ATOM 447 CE LYS A 33 22.665 4.901 -9.608 1.00 5.41 C ATOM 448 NZ LYS A 33 23.543 5.514 -10.644 1.00 34.21 N ATOM 0 H LYS A 33 18.601 3.513 -7.522 1.00 74.14 H new ATOM 0 HA LYS A 33 20.107 4.497 -5.189 1.00 22.33 H new ATOM 0 HB2 LYS A 33 21.369 5.750 -6.993 1.00 30.13 H new ATOM 0 HB3 LYS A 33 21.522 4.005 -7.048 1.00 30.13 H new ATOM 0 HG2 LYS A 33 20.252 3.806 -8.988 1.00 71.24 H new ATOM 0 HG3 LYS A 33 19.361 5.286 -8.692 1.00 71.24 H new ATOM 0 HD2 LYS A 33 20.888 5.674 -10.533 1.00 74.55 H new ATOM 0 HD3 LYS A 33 21.440 6.606 -9.155 1.00 74.55 H new ATOM 0 HE2 LYS A 33 23.156 4.957 -8.637 1.00 5.41 H new ATOM 0 HE3 LYS A 33 22.522 3.844 -9.833 1.00 5.41 H new ATOM 0 HZ1 LYS A 33 24.456 5.016 -10.665 1.00 34.21 H new ATOM 0 HZ2 LYS A 33 23.086 5.438 -11.575 1.00 34.21 H new ATOM 0 HZ3 LYS A 33 23.701 6.516 -10.416 1.00 34.21 H new ATOM 462 N TYR A 34 19.259 6.858 -5.161 1.00 33.40 N ATOM 463 CA TYR A 34 18.583 8.138 -4.991 1.00 12.42 C ATOM 464 C TYR A 34 18.671 8.974 -6.264 1.00 53.12 C ATOM 465 O TYR A 34 19.759 9.228 -6.778 1.00 43.42 O ATOM 466 CB TYR A 34 19.193 8.909 -3.819 1.00 33.13 C ATOM 467 CG TYR A 34 18.677 8.465 -2.468 1.00 65.34 C ATOM 468 CD1 TYR A 34 17.314 8.396 -2.211 1.00 51.31 C ATOM 469 CD2 TYR A 34 19.555 8.112 -1.450 1.00 13.41 C ATOM 470 CE1 TYR A 34 16.839 7.992 -0.979 1.00 31.23 C ATOM 471 CE2 TYR A 34 19.089 7.705 -0.215 1.00 14.32 C ATOM 472 CZ TYR A 34 17.730 7.647 0.016 1.00 1.11 C ATOM 473 OH TYR A 34 17.261 7.242 1.245 1.00 52.23 O ATOM 0 H TYR A 34 20.018 6.691 -4.501 1.00 33.40 H new ATOM 0 HA TYR A 34 17.532 7.940 -4.780 1.00 12.42 H new ATOM 0 HB2 TYR A 34 20.276 8.791 -3.842 1.00 33.13 H new ATOM 0 HB3 TYR A 34 18.986 9.971 -3.947 1.00 33.13 H new ATOM 0 HD1 TYR A 34 16.613 8.663 -2.988 1.00 51.31 H new ATOM 0 HD2 TYR A 34 20.619 8.157 -1.628 1.00 13.41 H new ATOM 0 HE1 TYR A 34 15.776 7.946 -0.795 1.00 31.23 H new ATOM 0 HE2 TYR A 34 19.785 7.434 0.565 1.00 14.32 H new ATOM 0 HH TYR A 34 18.018 7.034 1.832 1.00 52.23 H new ATOM 483 N GLU A 35 17.515 9.398 -6.767 1.00 3.54 N ATOM 484 CA GLU A 35 17.461 10.205 -7.980 1.00 2.51 C ATOM 485 C GLU A 35 17.658 11.684 -7.659 1.00 4.31 C ATOM 486 O GLU A 35 16.768 12.337 -7.112 1.00 61.22 O ATOM 487 CB GLU A 35 16.124 10.002 -8.695 1.00 62.44 C ATOM 488 CG GLU A 35 16.082 8.754 -9.562 1.00 14.02 C ATOM 489 CD GLU A 35 15.035 8.839 -10.656 1.00 1.11 C ATOM 490 OE1 GLU A 35 13.832 8.756 -10.334 1.00 75.13 O ATOM 491 OE2 GLU A 35 15.421 8.989 -11.834 1.00 52.23 O ATOM 0 H GLU A 35 16.605 9.196 -6.353 1.00 3.54 H new ATOM 0 HA GLU A 35 18.269 9.882 -8.636 1.00 2.51 H new ATOM 0 HB2 GLU A 35 15.329 9.945 -7.952 1.00 62.44 H new ATOM 0 HB3 GLU A 35 15.918 10.873 -9.316 1.00 62.44 H new ATOM 0 HG2 GLU A 35 17.062 8.596 -10.013 1.00 14.02 H new ATOM 0 HG3 GLU A 35 15.877 7.887 -8.934 1.00 14.02 H new ATOM 498 N LEU A 36 18.831 12.207 -8.002 1.00 33.42 N ATOM 499 CA LEU A 36 19.147 13.608 -7.750 1.00 54.44 C ATOM 500 C LEU A 36 19.272 14.382 -9.059 1.00 62.42 C ATOM 501 O LEU A 36 18.420 15.206 -9.389 1.00 3.51 O ATOM 502 CB LEU A 36 20.445 13.723 -6.950 1.00 43.43 C ATOM 503 CG LEU A 36 20.403 13.183 -5.520 1.00 52.24 C ATOM 504 CD1 LEU A 36 21.734 13.414 -4.823 1.00 3.12 C ATOM 505 CD2 LEU A 36 19.270 13.832 -4.739 1.00 34.22 C ATOM 0 H LEU A 36 19.578 11.681 -8.455 1.00 33.42 H new ATOM 0 HA LEU A 36 18.331 14.040 -7.170 1.00 54.44 H new ATOM 0 HB2 LEU A 36 21.230 13.197 -7.493 1.00 43.43 H new ATOM 0 HB3 LEU A 36 20.733 14.774 -6.912 1.00 43.43 H new ATOM 0 HG LEU A 36 20.220 12.109 -5.562 1.00 52.24 H new ATOM 0 HD11 LEU A 36 21.685 13.023 -3.807 1.00 3.12 H new ATOM 0 HD12 LEU A 36 22.525 12.902 -5.371 1.00 3.12 H new ATOM 0 HD13 LEU A 36 21.947 14.482 -4.791 1.00 3.12 H new ATOM 0 HD21 LEU A 36 19.255 13.436 -3.724 1.00 34.22 H new ATOM 0 HD22 LEU A 36 19.422 14.911 -4.706 1.00 34.22 H new ATOM 0 HD23 LEU A 36 18.320 13.615 -5.228 1.00 34.22 H new TER 517 LEU A 36