USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 421 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= 0.00586 (180deg=-0.28) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 157:sc= -0.0787 (180deg=-0.932) USER MOD Single : A 8 ASN : amide:sc= -0.377 K(o=-0.38,f=-3.7!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0199 USER MOD Single : A 13 LYS NZ :NH3+ 147:sc= -0.0325 (180deg=-1.19) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0419 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -130:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.25) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0185 X(o=-0.019,f=-0.31) USER MOD Single : A 37 ASN : amide:sc= 0.883 K(o=0.88,f=0) USER MOD Single : A 44 THR OG1 : rot -78:sc= 1.27 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0027) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.398 -8.236 7.594 1.00 2.03 N ATOM 2 CA MET A 1 19.178 -9.368 8.081 1.00 34.23 C ATOM 3 C MET A 1 18.559 -10.688 7.631 1.00 73.15 C ATOM 4 O MET A 1 17.401 -10.978 7.933 1.00 63.51 O ATOM 5 CB MET A 1 19.274 -9.330 9.607 1.00 42.53 C ATOM 6 CG MET A 1 20.049 -8.135 10.137 1.00 45.15 C ATOM 7 SD MET A 1 21.817 -8.251 9.806 1.00 3.33 S ATOM 8 CE MET A 1 22.445 -8.618 11.443 1.00 73.52 C ATOM 0 H1 MET A 1 18.963 -7.366 7.670 1.00 2.03 H new ATOM 0 H2 MET A 1 18.140 -8.395 6.599 1.00 2.03 H new ATOM 0 H3 MET A 1 17.534 -8.139 8.165 1.00 2.03 H new ATOM 0 HA MET A 1 20.181 -9.295 7.660 1.00 34.23 H new ATOM 0 HB2 MET A 1 18.268 -9.315 10.026 1.00 42.53 H new ATOM 0 HB3 MET A 1 19.751 -10.246 9.956 1.00 42.53 H new ATOM 0 HG2 MET A 1 19.658 -7.224 9.685 1.00 45.15 H new ATOM 0 HG3 MET A 1 19.889 -8.051 11.212 1.00 45.15 H new ATOM 0 HE1 MET A 1 23.530 -8.719 11.402 1.00 73.52 H new ATOM 0 HE2 MET A 1 22.181 -7.809 12.124 1.00 73.52 H new ATOM 0 HE3 MET A 1 22.007 -9.550 11.800 1.00 73.52 H new ATOM 18 N THR A 2 19.338 -11.486 6.907 1.00 32.33 N ATOM 19 CA THR A 2 18.866 -12.774 6.415 1.00 25.25 C ATOM 20 C THR A 2 19.082 -13.871 7.451 1.00 52.42 C ATOM 21 O THR A 2 20.167 -13.998 8.018 1.00 3.11 O ATOM 22 CB THR A 2 19.578 -13.171 5.108 1.00 23.24 C ATOM 23 OG1 THR A 2 19.838 -12.005 4.318 1.00 35.55 O ATOM 24 CG2 THR A 2 18.733 -14.152 4.309 1.00 50.33 C ATOM 0 H THR A 2 20.299 -11.262 6.648 1.00 32.33 H new ATOM 0 HA THR A 2 17.799 -12.666 6.221 1.00 25.25 H new ATOM 0 HB THR A 2 20.521 -13.653 5.366 1.00 23.24 H new ATOM 0 HG1 THR A 2 20.292 -12.266 3.490 1.00 35.55 H new ATOM 0 HG21 THR A 2 19.256 -14.418 3.390 1.00 50.33 H new ATOM 0 HG22 THR A 2 18.560 -15.050 4.902 1.00 50.33 H new ATOM 0 HG23 THR A 2 17.777 -13.691 4.062 1.00 50.33 H new ATOM 32 N PHE A 3 18.042 -14.663 7.693 1.00 23.24 N ATOM 33 CA PHE A 3 18.119 -15.750 8.662 1.00 31.32 C ATOM 34 C PHE A 3 18.111 -17.105 7.961 1.00 32.01 C ATOM 35 O PHE A 3 17.738 -17.210 6.792 1.00 41.12 O ATOM 36 CB PHE A 3 16.950 -15.666 9.647 1.00 42.31 C ATOM 37 CG PHE A 3 17.265 -14.875 10.884 1.00 33.03 C ATOM 38 CD1 PHE A 3 16.877 -13.549 10.991 1.00 42.10 C ATOM 39 CD2 PHE A 3 17.948 -15.456 11.940 1.00 33.44 C ATOM 40 CE1 PHE A 3 17.164 -12.817 12.128 1.00 51.32 C ATOM 41 CE2 PHE A 3 18.238 -14.730 13.079 1.00 24.41 C ATOM 42 CZ PHE A 3 17.846 -13.408 13.173 1.00 72.31 C ATOM 0 H PHE A 3 17.137 -14.572 7.232 1.00 23.24 H new ATOM 0 HA PHE A 3 19.056 -15.650 9.210 1.00 31.32 H new ATOM 0 HB2 PHE A 3 16.094 -15.215 9.145 1.00 42.31 H new ATOM 0 HB3 PHE A 3 16.655 -16.675 9.936 1.00 42.31 H new ATOM 0 HD1 PHE A 3 16.344 -13.082 10.176 1.00 42.10 H new ATOM 0 HD2 PHE A 3 18.257 -16.489 11.872 1.00 33.44 H new ATOM 0 HE1 PHE A 3 16.855 -11.784 12.199 1.00 51.32 H new ATOM 0 HE2 PHE A 3 18.771 -15.195 13.895 1.00 24.41 H new ATOM 0 HZ PHE A 3 18.073 -12.838 14.062 1.00 72.31 H new ATOM 52 N LYS A 4 18.528 -18.140 8.682 1.00 30.13 N ATOM 53 CA LYS A 4 18.570 -19.490 8.132 1.00 25.34 C ATOM 54 C LYS A 4 17.869 -20.477 9.059 1.00 70.05 C ATOM 55 O LYS A 4 18.131 -20.508 10.262 1.00 25.23 O ATOM 56 CB LYS A 4 20.019 -19.926 7.907 1.00 2.25 C ATOM 57 CG LYS A 4 20.201 -20.833 6.702 1.00 51.01 C ATOM 58 CD LYS A 4 21.449 -21.689 6.832 1.00 12.30 C ATOM 59 CE LYS A 4 22.657 -21.014 6.201 1.00 32.32 C ATOM 60 NZ LYS A 4 23.050 -19.780 6.937 1.00 32.44 N1+ ATOM 0 H LYS A 4 18.842 -18.070 9.650 1.00 30.13 H new ATOM 0 HA LYS A 4 18.047 -19.482 7.176 1.00 25.34 H new ATOM 0 HB2 LYS A 4 20.641 -19.040 7.781 1.00 2.25 H new ATOM 0 HB3 LYS A 4 20.377 -20.443 8.798 1.00 2.25 H new ATOM 0 HG2 LYS A 4 19.327 -21.476 6.594 1.00 51.01 H new ATOM 0 HG3 LYS A 4 20.266 -20.229 5.797 1.00 51.01 H new ATOM 0 HD2 LYS A 4 21.649 -21.884 7.886 1.00 12.30 H new ATOM 0 HD3 LYS A 4 21.280 -22.655 6.355 1.00 12.30 H new ATOM 0 HE2 LYS A 4 23.495 -21.710 6.186 1.00 32.32 H new ATOM 0 HE3 LYS A 4 22.432 -20.763 5.164 1.00 32.32 H new ATOM 0 HZ1 LYS A 4 24.051 -19.568 6.750 1.00 32.44 H new ATOM 0 HZ2 LYS A 4 22.462 -18.984 6.619 1.00 32.44 H new ATOM 0 HZ3 LYS A 4 22.912 -19.926 7.957 1.00 32.44 H new ATOM 74 N LEU A 5 16.978 -21.284 8.492 1.00 33.01 N ATOM 75 CA LEU A 5 16.240 -22.274 9.268 1.00 5.52 C ATOM 76 C LEU A 5 16.860 -23.659 9.113 1.00 63.41 C ATOM 77 O LEU A 5 17.214 -24.071 8.008 1.00 54.40 O ATOM 78 CB LEU A 5 14.775 -22.306 8.829 1.00 41.31 C ATOM 79 CG LEU A 5 13.860 -23.247 9.614 1.00 72.33 C ATOM 80 CD1 LEU A 5 13.980 -22.986 11.107 1.00 41.24 C ATOM 81 CD2 LEU A 5 12.416 -23.091 9.157 1.00 71.45 C ATOM 0 H LEU A 5 16.750 -21.272 7.498 1.00 33.01 H new ATOM 0 HA LEU A 5 16.292 -21.989 10.319 1.00 5.52 H new ATOM 0 HB2 LEU A 5 14.372 -21.296 8.902 1.00 41.31 H new ATOM 0 HB3 LEU A 5 14.738 -22.589 7.777 1.00 41.31 H new ATOM 0 HG LEU A 5 14.173 -24.273 9.420 1.00 72.33 H new ATOM 0 HD11 LEU A 5 13.322 -23.665 11.649 1.00 41.24 H new ATOM 0 HD12 LEU A 5 15.010 -23.150 11.423 1.00 41.24 H new ATOM 0 HD13 LEU A 5 13.694 -21.956 11.320 1.00 41.24 H new ATOM 0 HD21 LEU A 5 11.779 -23.768 9.726 1.00 71.45 H new ATOM 0 HD22 LEU A 5 12.091 -22.063 9.321 1.00 71.45 H new ATOM 0 HD23 LEU A 5 12.342 -23.330 8.096 1.00 71.45 H new ATOM 93 N ILE A 6 16.986 -24.373 10.226 1.00 4.33 N ATOM 94 CA ILE A 6 17.559 -25.713 10.213 1.00 33.32 C ATOM 95 C ILE A 6 16.589 -26.733 10.801 1.00 45.43 C ATOM 96 O ILE A 6 16.401 -26.795 12.016 1.00 53.14 O ATOM 97 CB ILE A 6 18.882 -25.767 11.000 1.00 13.12 C ATOM 98 CG1 ILE A 6 19.987 -25.038 10.232 1.00 20.14 C ATOM 99 CG2 ILE A 6 19.280 -27.211 11.268 1.00 23.52 C ATOM 100 CD1 ILE A 6 20.359 -25.707 8.928 1.00 64.22 C ATOM 0 H ILE A 6 16.699 -24.046 11.148 1.00 4.33 H new ATOM 0 HA ILE A 6 17.755 -25.962 9.170 1.00 33.32 H new ATOM 0 HB ILE A 6 18.739 -25.266 11.958 1.00 13.12 H new ATOM 0 HG12 ILE A 6 19.664 -24.017 10.028 1.00 20.14 H new ATOM 0 HG13 ILE A 6 20.874 -24.972 10.863 1.00 20.14 H new ATOM 0 HG21 ILE A 6 20.217 -27.233 11.825 1.00 23.52 H new ATOM 0 HG22 ILE A 6 18.500 -27.701 11.851 1.00 23.52 H new ATOM 0 HG23 ILE A 6 19.409 -27.735 10.321 1.00 23.52 H new ATOM 0 HD11 ILE A 6 21.148 -25.136 8.438 1.00 64.22 H new ATOM 0 HD12 ILE A 6 20.713 -26.719 9.126 1.00 64.22 H new ATOM 0 HD13 ILE A 6 19.485 -25.749 8.278 1.00 64.22 H new ATOM 112 N ILE A 7 15.979 -27.530 9.931 1.00 20.51 N ATOM 113 CA ILE A 7 15.030 -28.548 10.364 1.00 51.32 C ATOM 114 C ILE A 7 15.685 -29.925 10.410 1.00 24.33 C ATOM 115 O ILE A 7 15.673 -30.662 9.425 1.00 22.23 O ATOM 116 CB ILE A 7 13.803 -28.607 9.436 1.00 15.41 C ATOM 117 CG1 ILE A 7 13.228 -27.204 9.226 1.00 1.21 C ATOM 118 CG2 ILE A 7 12.747 -29.538 10.012 1.00 72.24 C ATOM 119 CD1 ILE A 7 12.043 -27.171 8.286 1.00 50.13 C ATOM 0 H ILE A 7 16.125 -27.491 8.922 1.00 20.51 H new ATOM 0 HA ILE A 7 14.704 -28.269 11.366 1.00 51.32 H new ATOM 0 HB ILE A 7 14.116 -29.000 8.469 1.00 15.41 H new ATOM 0 HG12 ILE A 7 12.928 -26.795 10.191 1.00 1.21 H new ATOM 0 HG13 ILE A 7 14.011 -26.554 8.834 1.00 1.21 H new ATOM 0 HG21 ILE A 7 11.886 -29.569 9.344 1.00 72.24 H new ATOM 0 HG22 ILE A 7 13.163 -30.540 10.115 1.00 72.24 H new ATOM 0 HG23 ILE A 7 12.435 -29.173 10.990 1.00 72.24 H new ATOM 0 HD11 ILE A 7 11.688 -26.146 8.184 1.00 50.13 H new ATOM 0 HD12 ILE A 7 12.343 -27.550 7.309 1.00 50.13 H new ATOM 0 HD13 ILE A 7 11.243 -27.794 8.687 1.00 50.13 H new ATOM 131 N ASN A 8 16.254 -30.265 11.562 1.00 64.41 N ATOM 132 CA ASN A 8 16.913 -31.555 11.737 1.00 62.14 C ATOM 133 C ASN A 8 15.889 -32.683 11.817 1.00 34.41 C ATOM 134 O ASN A 8 15.547 -33.148 12.903 1.00 1.43 O ATOM 135 CB ASN A 8 17.776 -31.543 13.000 1.00 1.04 C ATOM 136 CG ASN A 8 18.695 -32.746 13.084 1.00 72.24 C ATOM 137 OD1 ASN A 8 18.444 -33.777 12.461 1.00 2.11 O ATOM 138 ND2 ASN A 8 19.767 -32.618 13.858 1.00 14.42 N ATOM 0 H ASN A 8 16.272 -29.666 12.388 1.00 64.41 H new ATOM 0 HA ASN A 8 17.551 -31.729 10.871 1.00 62.14 H new ATOM 0 HB2 ASN A 8 18.373 -30.631 13.020 1.00 1.04 H new ATOM 0 HB3 ASN A 8 17.130 -31.521 13.878 1.00 1.04 H new ATOM 0 HD21 ASN A 8 20.422 -33.394 13.954 1.00 14.42 H new ATOM 0 HD22 ASN A 8 19.935 -31.744 14.356 1.00 14.42 H new ATOM 145 N GLY A 9 15.403 -33.117 10.658 1.00 25.24 N ATOM 146 CA GLY A 9 14.423 -34.187 10.620 1.00 42.23 C ATOM 147 C GLY A 9 15.042 -35.528 10.277 1.00 54.12 C ATOM 148 O GLY A 9 15.632 -35.693 9.209 1.00 64.31 O ATOM 0 H GLY A 9 15.670 -32.747 9.746 1.00 25.24 H new ATOM 0 HA2 GLY A 9 13.927 -34.256 11.588 1.00 42.23 H new ATOM 0 HA3 GLY A 9 13.655 -33.946 9.885 1.00 42.23 H new ATOM 152 N LYS A 10 14.908 -36.489 11.184 1.00 20.14 N ATOM 153 CA LYS A 10 15.459 -37.822 10.974 1.00 61.12 C ATOM 154 C LYS A 10 14.786 -38.508 9.789 1.00 44.41 C ATOM 155 O LYS A 10 15.384 -39.356 9.127 1.00 51.54 O ATOM 156 CB LYS A 10 15.286 -38.673 12.235 1.00 74.11 C ATOM 157 CG LYS A 10 13.856 -38.723 12.743 1.00 52.15 C ATOM 158 CD LYS A 10 13.298 -40.136 12.698 1.00 52.11 C ATOM 159 CE LYS A 10 11.855 -40.181 13.178 1.00 33.45 C ATOM 160 NZ LYS A 10 11.444 -41.558 13.570 1.00 33.12 N1+ ATOM 0 H LYS A 10 14.422 -36.369 12.073 1.00 20.14 H new ATOM 0 HA LYS A 10 16.522 -37.718 10.756 1.00 61.12 H new ATOM 0 HB2 LYS A 10 15.625 -39.688 12.028 1.00 74.11 H new ATOM 0 HB3 LYS A 10 15.929 -38.277 13.021 1.00 74.11 H new ATOM 0 HG2 LYS A 10 13.819 -38.348 13.766 1.00 52.15 H new ATOM 0 HG3 LYS A 10 13.231 -38.065 12.140 1.00 52.15 H new ATOM 0 HD2 LYS A 10 13.356 -40.519 11.679 1.00 52.11 H new ATOM 0 HD3 LYS A 10 13.910 -40.790 13.319 1.00 52.11 H new ATOM 0 HE2 LYS A 10 11.734 -39.510 14.028 1.00 33.45 H new ATOM 0 HE3 LYS A 10 11.198 -39.817 12.388 1.00 33.45 H new ATOM 0 HZ1 LYS A 10 10.455 -41.547 13.891 1.00 33.12 H new ATOM 0 HZ2 LYS A 10 11.535 -42.194 12.752 1.00 33.12 H new ATOM 0 HZ3 LYS A 10 12.055 -41.896 14.341 1.00 33.12 H new ATOM 174 N THR A 11 13.537 -38.135 9.526 1.00 15.21 N ATOM 175 CA THR A 11 12.783 -38.713 8.422 1.00 62.22 C ATOM 176 C THR A 11 12.758 -37.774 7.221 1.00 61.24 C ATOM 177 O THR A 11 12.723 -38.218 6.073 1.00 32.30 O ATOM 178 CB THR A 11 11.335 -39.036 8.838 1.00 70.54 C ATOM 179 OG1 THR A 11 10.849 -38.032 9.736 1.00 73.10 O ATOM 180 CG2 THR A 11 11.255 -40.401 9.503 1.00 44.40 C ATOM 0 H THR A 11 13.027 -37.434 10.064 1.00 15.21 H new ATOM 0 HA THR A 11 13.288 -39.638 8.145 1.00 62.22 H new ATOM 0 HB THR A 11 10.716 -39.051 7.941 1.00 70.54 H new ATOM 0 HG1 THR A 11 9.928 -38.243 9.995 1.00 73.10 H new ATOM 0 HG21 THR A 11 10.223 -40.607 9.788 1.00 44.40 H new ATOM 0 HG22 THR A 11 11.599 -41.166 8.806 1.00 44.40 H new ATOM 0 HG23 THR A 11 11.886 -40.410 10.392 1.00 44.40 H new ATOM 188 N LEU A 12 12.776 -36.474 7.493 1.00 23.00 N ATOM 189 CA LEU A 12 12.756 -35.470 6.435 1.00 43.11 C ATOM 190 C LEU A 12 13.423 -34.178 6.896 1.00 4.35 C ATOM 191 O LEU A 12 12.896 -33.466 7.752 1.00 72.22 O ATOM 192 CB LEU A 12 11.317 -35.188 5.999 1.00 64.33 C ATOM 193 CG LEU A 12 11.148 -34.526 4.632 1.00 11.33 C ATOM 194 CD1 LEU A 12 11.386 -35.533 3.517 1.00 33.21 C ATOM 195 CD2 LEU A 12 9.762 -33.908 4.506 1.00 70.53 C ATOM 0 H LEU A 12 12.804 -36.090 8.438 1.00 23.00 H new ATOM 0 HA LEU A 12 13.316 -35.862 5.586 1.00 43.11 H new ATOM 0 HB2 LEU A 12 10.769 -36.130 5.995 1.00 64.33 H new ATOM 0 HB3 LEU A 12 10.849 -34.551 6.749 1.00 64.33 H new ATOM 0 HG LEU A 12 11.889 -33.732 4.541 1.00 11.33 H new ATOM 0 HD11 LEU A 12 11.261 -35.043 2.551 1.00 33.21 H new ATOM 0 HD12 LEU A 12 12.398 -35.929 3.595 1.00 33.21 H new ATOM 0 HD13 LEU A 12 10.669 -36.349 3.605 1.00 33.21 H new ATOM 0 HD21 LEU A 12 9.659 -33.441 3.526 1.00 70.53 H new ATOM 0 HD22 LEU A 12 9.006 -34.685 4.619 1.00 70.53 H new ATOM 0 HD23 LEU A 12 9.627 -33.155 5.283 1.00 70.53 H new ATOM 207 N LYS A 13 14.584 -33.880 6.323 1.00 21.15 N ATOM 208 CA LYS A 13 15.321 -32.672 6.672 1.00 13.53 C ATOM 209 C LYS A 13 15.111 -31.584 5.624 1.00 62.51 C ATOM 210 O LYS A 13 14.787 -31.872 4.473 1.00 23.21 O ATOM 211 CB LYS A 13 16.814 -32.982 6.809 1.00 14.43 C ATOM 212 CG LYS A 13 17.568 -31.980 7.666 1.00 1.44 C ATOM 213 CD LYS A 13 19.072 -32.145 7.523 1.00 42.34 C ATOM 214 CE LYS A 13 19.613 -33.186 8.491 1.00 71.21 C ATOM 215 NZ LYS A 13 19.419 -34.571 7.981 1.00 31.45 N1+ ATOM 0 H LYS A 13 15.035 -34.459 5.615 1.00 21.15 H new ATOM 0 HA LYS A 13 14.942 -32.309 7.627 1.00 13.53 H new ATOM 0 HB2 LYS A 13 16.932 -33.977 7.239 1.00 14.43 H new ATOM 0 HB3 LYS A 13 17.263 -33.009 5.816 1.00 14.43 H new ATOM 0 HG2 LYS A 13 17.283 -30.968 7.380 1.00 1.44 H new ATOM 0 HG3 LYS A 13 17.285 -32.107 8.711 1.00 1.44 H new ATOM 0 HD2 LYS A 13 19.311 -32.438 6.501 1.00 42.34 H new ATOM 0 HD3 LYS A 13 19.563 -31.189 7.704 1.00 42.34 H new ATOM 0 HE2 LYS A 13 20.675 -33.007 8.661 1.00 71.21 H new ATOM 0 HE3 LYS A 13 19.114 -33.080 9.454 1.00 71.21 H new ATOM 0 HZ1 LYS A 13 20.207 -35.171 8.297 1.00 31.45 H new ATOM 0 HZ2 LYS A 13 18.524 -34.954 8.347 1.00 31.45 H new ATOM 0 HZ3 LYS A 13 19.390 -34.557 6.942 1.00 31.45 H new ATOM 229 N GLY A 14 15.300 -30.332 6.031 1.00 64.41 N ATOM 230 CA GLY A 14 15.128 -29.220 5.114 1.00 2.42 C ATOM 231 C GLY A 14 15.691 -27.924 5.662 1.00 5.42 C ATOM 232 O GLY A 14 16.262 -27.900 6.751 1.00 43.14 O ATOM 0 H GLY A 14 15.569 -30.068 6.979 1.00 64.41 H new ATOM 0 HA2 GLY A 14 15.617 -29.454 4.168 1.00 2.42 H new ATOM 0 HA3 GLY A 14 14.067 -29.090 4.900 1.00 2.42 H new ATOM 236 N GLU A 15 15.532 -26.844 4.903 1.00 34.54 N ATOM 237 CA GLU A 15 16.033 -25.539 5.319 1.00 71.41 C ATOM 238 C GLU A 15 15.385 -24.423 4.504 1.00 64.34 C ATOM 239 O GLU A 15 14.995 -24.624 3.353 1.00 1.11 O ATOM 240 CB GLU A 15 17.554 -25.479 5.167 1.00 73.45 C ATOM 241 CG GLU A 15 18.041 -25.838 3.774 1.00 42.33 C ATOM 242 CD GLU A 15 19.553 -25.904 3.683 1.00 65.22 C ATOM 243 OE1 GLU A 15 20.064 -26.729 2.897 1.00 13.12 O ATOM 244 OE2 GLU A 15 20.226 -25.133 4.399 1.00 51.34 O1- ATOM 0 H GLU A 15 15.061 -26.847 3.998 1.00 34.54 H new ATOM 0 HA GLU A 15 15.775 -25.397 6.368 1.00 71.41 H new ATOM 0 HB2 GLU A 15 17.896 -24.474 5.414 1.00 73.45 H new ATOM 0 HB3 GLU A 15 18.010 -26.157 5.888 1.00 73.45 H new ATOM 0 HG2 GLU A 15 17.621 -26.801 3.483 1.00 42.33 H new ATOM 0 HG3 GLU A 15 17.670 -25.101 3.062 1.00 42.33 H new ATOM 251 N THR A 16 15.273 -23.245 5.109 1.00 30.23 N ATOM 252 CA THR A 16 14.672 -22.097 4.442 1.00 24.41 C ATOM 253 C THR A 16 15.155 -20.788 5.057 1.00 65.30 C ATOM 254 O THR A 16 15.504 -20.735 6.237 1.00 35.35 O ATOM 255 CB THR A 16 13.134 -22.147 4.514 1.00 23.35 C ATOM 256 OG1 THR A 16 12.580 -20.929 4.006 1.00 41.12 O ATOM 257 CG2 THR A 16 12.666 -22.365 5.945 1.00 10.41 C ATOM 0 H THR A 16 15.591 -23.061 6.061 1.00 30.23 H new ATOM 0 HA THR A 16 14.982 -22.141 3.398 1.00 24.41 H new ATOM 0 HB THR A 16 12.791 -22.983 3.905 1.00 23.35 H new ATOM 0 HG1 THR A 16 11.602 -20.970 4.054 1.00 41.12 H new ATOM 0 HG21 THR A 16 11.577 -22.397 5.971 1.00 10.41 H new ATOM 0 HG22 THR A 16 13.065 -23.308 6.319 1.00 10.41 H new ATOM 0 HG23 THR A 16 13.020 -21.547 6.572 1.00 10.41 H new ATOM 265 N THR A 17 15.174 -19.732 4.249 1.00 54.32 N ATOM 266 CA THR A 17 15.616 -18.423 4.714 1.00 12.31 C ATOM 267 C THR A 17 14.542 -17.366 4.481 1.00 23.20 C ATOM 268 O THR A 17 13.773 -17.447 3.522 1.00 35.13 O ATOM 269 CB THR A 17 16.913 -17.985 4.008 1.00 33.43 C ATOM 270 OG1 THR A 17 16.722 -17.985 2.589 1.00 1.33 O ATOM 271 CG2 THR A 17 18.065 -18.909 4.370 1.00 2.04 C ATOM 0 H THR A 17 14.889 -19.758 3.270 1.00 54.32 H new ATOM 0 HA THR A 17 15.806 -18.515 5.783 1.00 12.31 H new ATOM 0 HB THR A 17 17.159 -16.977 4.341 1.00 33.43 H new ATOM 0 HG1 THR A 17 17.550 -17.704 2.147 1.00 1.33 H new ATOM 0 HG21 THR A 17 18.970 -18.580 3.859 1.00 2.04 H new ATOM 0 HG22 THR A 17 18.227 -18.884 5.448 1.00 2.04 H new ATOM 0 HG23 THR A 17 17.825 -19.927 4.063 1.00 2.04 H new ATOM 279 N THR A 18 14.494 -16.373 5.364 1.00 1.12 N ATOM 280 CA THR A 18 13.514 -15.300 5.255 1.00 0.52 C ATOM 281 C THR A 18 14.074 -13.988 5.791 1.00 45.23 C ATOM 282 O THR A 18 14.739 -13.963 6.826 1.00 15.53 O ATOM 283 CB THR A 18 12.219 -15.642 6.017 1.00 64.43 C ATOM 284 OG1 THR A 18 11.209 -14.670 5.727 1.00 33.34 O ATOM 285 CG2 THR A 18 12.470 -15.688 7.516 1.00 40.51 C ATOM 0 H THR A 18 15.123 -16.290 6.163 1.00 1.12 H new ATOM 0 HA THR A 18 13.284 -15.188 4.195 1.00 0.52 H new ATOM 0 HB THR A 18 11.880 -16.625 5.691 1.00 64.43 H new ATOM 0 HG1 THR A 18 10.389 -14.895 6.214 1.00 33.34 H new ATOM 0 HG21 THR A 18 11.542 -15.931 8.033 1.00 40.51 H new ATOM 0 HG22 THR A 18 13.218 -16.449 7.736 1.00 40.51 H new ATOM 0 HG23 THR A 18 12.830 -14.717 7.855 1.00 40.51 H new ATOM 293 N GLU A 19 13.799 -12.898 5.080 1.00 35.24 N ATOM 294 CA GLU A 19 14.277 -11.582 5.486 1.00 14.34 C ATOM 295 C GLU A 19 13.515 -11.080 6.710 1.00 73.40 C ATOM 296 O GLU A 19 12.285 -11.080 6.731 1.00 13.11 O ATOM 297 CB GLU A 19 14.128 -10.584 4.335 1.00 73.50 C ATOM 298 CG GLU A 19 15.300 -10.592 3.368 1.00 40.15 C ATOM 299 CD GLU A 19 14.912 -10.126 1.978 1.00 11.31 C ATOM 300 OE1 GLU A 19 15.764 -10.201 1.068 1.00 30.40 O ATOM 301 OE2 GLU A 19 13.757 -9.686 1.800 1.00 34.34 O1- ATOM 0 H GLU A 19 13.248 -12.901 4.221 1.00 35.24 H new ATOM 0 HA GLU A 19 15.332 -11.671 5.747 1.00 14.34 H new ATOM 0 HB2 GLU A 19 13.213 -10.809 3.786 1.00 73.50 H new ATOM 0 HB3 GLU A 19 14.014 -9.581 4.747 1.00 73.50 H new ATOM 0 HG2 GLU A 19 16.090 -9.949 3.755 1.00 40.15 H new ATOM 0 HG3 GLU A 19 15.710 -11.600 3.308 1.00 40.15 H new ATOM 308 N ALA A 20 14.257 -10.655 7.727 1.00 74.44 N ATOM 309 CA ALA A 20 13.653 -10.150 8.954 1.00 23.12 C ATOM 310 C ALA A 20 14.568 -9.141 9.641 1.00 54.32 C ATOM 311 O ALA A 20 15.737 -9.004 9.283 1.00 42.41 O ATOM 312 CB ALA A 20 13.331 -11.300 9.896 1.00 33.00 C ATOM 0 H ALA A 20 15.277 -10.650 7.726 1.00 74.44 H new ATOM 0 HA ALA A 20 12.726 -9.641 8.691 1.00 23.12 H new ATOM 0 HB1 ALA A 20 12.881 -10.908 10.808 1.00 33.00 H new ATOM 0 HB2 ALA A 20 12.633 -11.983 9.411 1.00 33.00 H new ATOM 0 HB3 ALA A 20 14.248 -11.834 10.145 1.00 33.00 H new ATOM 318 N VAL A 21 14.027 -8.437 10.630 1.00 3.03 N ATOM 319 CA VAL A 21 14.794 -7.441 11.368 1.00 53.14 C ATOM 320 C VAL A 21 15.229 -7.978 12.727 1.00 3.01 C ATOM 321 O VAL A 21 16.251 -7.562 13.273 1.00 4.54 O ATOM 322 CB VAL A 21 13.984 -6.147 11.574 1.00 33.31 C ATOM 323 CG1 VAL A 21 13.791 -5.421 10.252 1.00 23.31 C ATOM 324 CG2 VAL A 21 12.643 -6.457 12.222 1.00 5.33 C ATOM 0 H VAL A 21 13.060 -8.538 10.939 1.00 3.03 H new ATOM 0 HA VAL A 21 15.677 -7.216 10.770 1.00 53.14 H new ATOM 0 HB VAL A 21 14.543 -5.491 12.242 1.00 33.31 H new ATOM 0 HG11 VAL A 21 13.217 -4.510 10.418 1.00 23.31 H new ATOM 0 HG12 VAL A 21 14.764 -5.166 9.832 1.00 23.31 H new ATOM 0 HG13 VAL A 21 13.254 -6.067 9.557 1.00 23.31 H new ATOM 0 HG21 VAL A 21 12.083 -5.532 12.360 1.00 5.33 H new ATOM 0 HG22 VAL A 21 12.076 -7.132 11.580 1.00 5.33 H new ATOM 0 HG23 VAL A 21 12.807 -6.930 13.190 1.00 5.33 H new ATOM 334 N ASP A 22 14.445 -8.904 13.269 1.00 31.34 N ATOM 335 CA ASP A 22 14.749 -9.500 14.565 1.00 34.11 C ATOM 336 C ASP A 22 14.510 -11.006 14.539 1.00 64.45 C ATOM 337 O ASP A 22 13.783 -11.515 13.686 1.00 24.43 O ATOM 338 CB ASP A 22 13.898 -8.854 15.659 1.00 2.35 C ATOM 339 CG ASP A 22 14.331 -7.435 15.968 1.00 12.32 C ATOM 340 OD1 ASP A 22 13.469 -6.625 16.369 1.00 25.10 O ATOM 341 OD2 ASP A 22 15.533 -7.134 15.809 1.00 2.01 O1- ATOM 0 H ASP A 22 13.595 -9.258 12.831 1.00 31.34 H new ATOM 0 HA ASP A 22 15.802 -9.321 14.782 1.00 34.11 H new ATOM 0 HB2 ASP A 22 12.853 -8.852 15.349 1.00 2.35 H new ATOM 0 HB3 ASP A 22 13.960 -9.455 16.566 1.00 2.35 H new ATOM 346 N ALA A 23 15.127 -11.714 15.480 1.00 45.21 N ATOM 347 CA ALA A 23 14.981 -13.162 15.566 1.00 14.32 C ATOM 348 C ALA A 23 13.514 -13.559 15.693 1.00 51.22 C ATOM 349 O ALA A 23 13.125 -14.664 15.316 1.00 61.02 O ATOM 350 CB ALA A 23 15.781 -13.704 16.741 1.00 11.53 C ATOM 0 H ALA A 23 15.733 -11.308 16.193 1.00 45.21 H new ATOM 0 HA ALA A 23 15.369 -13.597 14.645 1.00 14.32 H new ATOM 0 HB1 ALA A 23 15.663 -14.786 16.793 1.00 11.53 H new ATOM 0 HB2 ALA A 23 16.835 -13.460 16.607 1.00 11.53 H new ATOM 0 HB3 ALA A 23 15.419 -13.254 17.666 1.00 11.53 H new ATOM 356 N ALA A 24 12.704 -12.650 16.228 1.00 24.41 N ATOM 357 CA ALA A 24 11.280 -12.906 16.404 1.00 54.51 C ATOM 358 C ALA A 24 10.513 -12.652 15.111 1.00 3.13 C ATOM 359 O ALA A 24 9.492 -13.289 14.847 1.00 23.22 O ATOM 360 CB ALA A 24 10.725 -12.043 17.528 1.00 61.03 C ATOM 0 H ALA A 24 13.010 -11.731 16.547 1.00 24.41 H new ATOM 0 HA ALA A 24 11.154 -13.956 16.670 1.00 54.51 H new ATOM 0 HB1 ALA A 24 9.661 -12.244 17.649 1.00 61.03 H new ATOM 0 HB2 ALA A 24 11.246 -12.276 18.457 1.00 61.03 H new ATOM 0 HB3 ALA A 24 10.870 -10.991 17.284 1.00 61.03 H new ATOM 366 N THR A 25 11.010 -11.717 14.307 1.00 1.15 N ATOM 367 CA THR A 25 10.370 -11.378 13.042 1.00 53.23 C ATOM 368 C THR A 25 10.467 -12.532 12.050 1.00 30.45 C ATOM 369 O THR A 25 9.494 -12.865 11.375 1.00 63.44 O ATOM 370 CB THR A 25 11.000 -10.121 12.413 1.00 71.03 C ATOM 371 OG1 THR A 25 10.961 -9.035 13.345 1.00 61.13 O ATOM 372 CG2 THR A 25 10.268 -9.729 11.139 1.00 61.04 C ATOM 0 H THR A 25 11.854 -11.181 14.510 1.00 1.15 H new ATOM 0 HA THR A 25 9.321 -11.179 13.262 1.00 53.23 H new ATOM 0 HB THR A 25 12.036 -10.347 12.163 1.00 71.03 H new ATOM 0 HG1 THR A 25 10.585 -8.242 12.908 1.00 61.13 H new ATOM 0 HG21 THR A 25 10.731 -8.839 10.713 1.00 61.04 H new ATOM 0 HG22 THR A 25 10.325 -10.547 10.421 1.00 61.04 H new ATOM 0 HG23 THR A 25 9.223 -9.520 11.369 1.00 61.04 H new ATOM 380 N ALA A 26 11.647 -13.138 11.968 1.00 14.02 N ATOM 381 CA ALA A 26 11.870 -14.256 11.061 1.00 64.04 C ATOM 382 C ALA A 26 11.239 -15.535 11.600 1.00 75.33 C ATOM 383 O ALA A 26 10.596 -16.280 10.862 1.00 62.32 O ATOM 384 CB ALA A 26 13.360 -14.458 10.827 1.00 21.44 C ATOM 0 H ALA A 26 12.463 -12.873 12.519 1.00 14.02 H new ATOM 0 HA ALA A 26 11.393 -14.020 10.110 1.00 64.04 H new ATOM 0 HB1 ALA A 26 13.511 -15.297 10.147 1.00 21.44 H new ATOM 0 HB2 ALA A 26 13.785 -13.555 10.389 1.00 21.44 H new ATOM 0 HB3 ALA A 26 13.852 -14.667 11.777 1.00 21.44 H new ATOM 390 N GLU A 27 11.429 -15.784 12.892 1.00 43.32 N ATOM 391 CA GLU A 27 10.880 -16.975 13.529 1.00 43.14 C ATOM 392 C GLU A 27 9.378 -17.082 13.279 1.00 11.53 C ATOM 393 O GLU A 27 8.820 -18.179 13.238 1.00 74.20 O ATOM 394 CB GLU A 27 11.156 -16.949 15.034 1.00 72.21 C ATOM 395 CG GLU A 27 10.521 -18.105 15.789 1.00 34.42 C ATOM 396 CD GLU A 27 10.829 -18.071 17.274 1.00 24.33 C ATOM 397 OE1 GLU A 27 11.686 -17.259 17.683 1.00 1.45 O ATOM 398 OE2 GLU A 27 10.214 -18.855 18.026 1.00 75.42 O1- ATOM 0 H GLU A 27 11.959 -15.177 13.518 1.00 43.32 H new ATOM 0 HA GLU A 27 11.367 -17.847 13.092 1.00 43.14 H new ATOM 0 HB2 GLU A 27 12.233 -16.967 15.198 1.00 72.21 H new ATOM 0 HB3 GLU A 27 10.787 -16.010 15.446 1.00 72.21 H new ATOM 0 HG2 GLU A 27 9.441 -18.079 15.645 1.00 34.42 H new ATOM 0 HG3 GLU A 27 10.876 -19.047 15.370 1.00 34.42 H new ATOM 405 N LYS A 28 8.729 -15.935 13.112 1.00 10.53 N ATOM 406 CA LYS A 28 7.292 -15.897 12.864 1.00 11.42 C ATOM 407 C LYS A 28 6.942 -16.638 11.578 1.00 42.33 C ATOM 408 O LYS A 28 5.964 -17.384 11.526 1.00 43.53 O ATOM 409 CB LYS A 28 6.807 -14.448 12.779 1.00 1.23 C ATOM 410 CG LYS A 28 5.294 -14.314 12.757 1.00 4.35 C ATOM 411 CD LYS A 28 4.716 -14.295 14.162 1.00 51.12 C ATOM 412 CE LYS A 28 3.251 -14.705 14.167 1.00 54.21 C ATOM 413 NZ LYS A 28 2.362 -13.595 13.725 1.00 52.40 N1+ ATOM 0 H LYS A 28 9.175 -15.018 13.144 1.00 10.53 H new ATOM 0 HA LYS A 28 6.792 -16.393 13.696 1.00 11.42 H new ATOM 0 HB2 LYS A 28 7.200 -13.891 13.630 1.00 1.23 H new ATOM 0 HB3 LYS A 28 7.217 -13.988 11.880 1.00 1.23 H new ATOM 0 HG2 LYS A 28 5.016 -13.398 12.236 1.00 4.35 H new ATOM 0 HG3 LYS A 28 4.862 -15.143 12.196 1.00 4.35 H new ATOM 0 HD2 LYS A 28 5.286 -14.970 14.800 1.00 51.12 H new ATOM 0 HD3 LYS A 28 4.817 -13.295 14.585 1.00 51.12 H new ATOM 0 HE2 LYS A 28 3.112 -15.564 13.511 1.00 54.21 H new ATOM 0 HE3 LYS A 28 2.966 -15.021 15.171 1.00 54.21 H new ATOM 0 HZ1 LYS A 28 1.373 -13.915 13.742 1.00 52.40 H new ATOM 0 HZ2 LYS A 28 2.475 -12.784 14.366 1.00 52.40 H new ATOM 0 HZ3 LYS A 28 2.617 -13.310 12.758 1.00 52.40 H new ATOM 427 N VAL A 29 7.749 -16.430 10.542 1.00 55.33 N ATOM 428 CA VAL A 29 7.525 -17.080 9.256 1.00 74.14 C ATOM 429 C VAL A 29 8.152 -18.470 9.227 1.00 45.15 C ATOM 430 O VAL A 29 7.587 -19.406 8.661 1.00 41.12 O ATOM 431 CB VAL A 29 8.101 -16.245 8.097 1.00 72.33 C ATOM 432 CG1 VAL A 29 7.797 -16.905 6.761 1.00 62.33 C ATOM 433 CG2 VAL A 29 7.551 -14.827 8.138 1.00 32.35 C ATOM 0 H VAL A 29 8.564 -15.817 10.568 1.00 55.33 H new ATOM 0 HA VAL A 29 6.446 -17.168 9.129 1.00 74.14 H new ATOM 0 HB VAL A 29 9.184 -16.194 8.212 1.00 72.33 H new ATOM 0 HG11 VAL A 29 8.212 -16.301 5.954 1.00 62.33 H new ATOM 0 HG12 VAL A 29 8.243 -17.899 6.736 1.00 62.33 H new ATOM 0 HG13 VAL A 29 6.718 -16.989 6.634 1.00 62.33 H new ATOM 0 HG21 VAL A 29 7.968 -14.251 7.312 1.00 32.35 H new ATOM 0 HG22 VAL A 29 6.465 -14.855 8.048 1.00 32.35 H new ATOM 0 HG23 VAL A 29 7.825 -14.358 9.083 1.00 32.35 H new ATOM 443 N LEU A 30 9.323 -18.597 9.841 1.00 22.41 N ATOM 444 CA LEU A 30 10.028 -19.874 9.887 1.00 71.11 C ATOM 445 C LEU A 30 9.213 -20.919 10.642 1.00 21.34 C ATOM 446 O LEU A 30 9.022 -22.037 10.164 1.00 3.24 O ATOM 447 CB LEU A 30 11.395 -19.700 10.550 1.00 44.45 C ATOM 448 CG LEU A 30 12.378 -18.777 9.829 1.00 70.12 C ATOM 449 CD1 LEU A 30 13.673 -18.655 10.618 1.00 63.35 C ATOM 450 CD2 LEU A 30 12.655 -19.288 8.422 1.00 70.44 C ATOM 0 H LEU A 30 9.804 -17.832 10.314 1.00 22.41 H new ATOM 0 HA LEU A 30 10.169 -20.221 8.863 1.00 71.11 H new ATOM 0 HB2 LEU A 30 11.241 -19.317 11.559 1.00 44.45 H new ATOM 0 HB3 LEU A 30 11.856 -20.683 10.649 1.00 44.45 H new ATOM 0 HG LEU A 30 11.928 -17.787 9.753 1.00 70.12 H new ATOM 0 HD11 LEU A 30 14.360 -17.994 10.089 1.00 63.35 H new ATOM 0 HD12 LEU A 30 13.461 -18.243 11.605 1.00 63.35 H new ATOM 0 HD13 LEU A 30 14.127 -19.640 10.726 1.00 63.35 H new ATOM 0 HD21 LEU A 30 13.356 -18.619 7.923 1.00 70.44 H new ATOM 0 HD22 LEU A 30 13.084 -20.289 8.476 1.00 70.44 H new ATOM 0 HD23 LEU A 30 11.723 -19.323 7.857 1.00 70.44 H new ATOM 462 N LYS A 31 8.733 -20.547 11.824 1.00 35.54 N ATOM 463 CA LYS A 31 7.935 -21.450 12.645 1.00 4.33 C ATOM 464 C LYS A 31 6.703 -21.930 11.885 1.00 65.22 C ATOM 465 O LYS A 31 6.235 -23.050 12.090 1.00 4.33 O ATOM 466 CB LYS A 31 7.509 -20.753 13.940 1.00 23.41 C ATOM 467 CG LYS A 31 6.412 -19.721 13.743 1.00 4.34 C ATOM 468 CD LYS A 31 6.161 -18.925 15.012 1.00 42.12 C ATOM 469 CE LYS A 31 5.563 -19.796 16.107 1.00 21.52 C ATOM 470 NZ LYS A 31 5.492 -19.077 17.410 1.00 51.51 N1+ ATOM 0 H LYS A 31 8.883 -19.626 12.235 1.00 35.54 H new ATOM 0 HA LYS A 31 8.549 -22.316 12.891 1.00 4.33 H new ATOM 0 HB2 LYS A 31 7.166 -21.504 14.651 1.00 23.41 H new ATOM 0 HB3 LYS A 31 8.378 -20.267 14.384 1.00 23.41 H new ATOM 0 HG2 LYS A 31 6.690 -19.043 12.936 1.00 4.34 H new ATOM 0 HG3 LYS A 31 5.492 -20.220 13.438 1.00 4.34 H new ATOM 0 HD2 LYS A 31 7.098 -18.491 15.362 1.00 42.12 H new ATOM 0 HD3 LYS A 31 5.487 -18.096 14.796 1.00 42.12 H new ATOM 0 HE2 LYS A 31 4.563 -20.114 15.813 1.00 21.52 H new ATOM 0 HE3 LYS A 31 6.164 -20.698 16.222 1.00 21.52 H new ATOM 0 HZ1 LYS A 31 5.079 -19.704 18.130 1.00 51.51 H new ATOM 0 HZ2 LYS A 31 6.449 -18.795 17.704 1.00 51.51 H new ATOM 0 HZ3 LYS A 31 4.898 -18.229 17.307 1.00 51.51 H new ATOM 484 N GLN A 32 6.184 -21.077 11.008 1.00 0.41 N ATOM 485 CA GLN A 32 5.006 -21.417 10.218 1.00 31.03 C ATOM 486 C GLN A 32 5.367 -22.375 9.087 1.00 72.23 C ATOM 487 O GLN A 32 4.583 -23.254 8.731 1.00 71.20 O ATOM 488 CB GLN A 32 4.368 -20.151 9.644 1.00 14.11 C ATOM 489 CG GLN A 32 2.930 -20.345 9.192 1.00 32.21 C ATOM 490 CD GLN A 32 2.017 -20.781 10.320 1.00 64.43 C ATOM 491 OE1 GLN A 32 1.702 -19.999 11.217 1.00 13.23 O ATOM 492 NE2 GLN A 32 1.585 -22.037 10.282 1.00 2.52 N ATOM 0 H GLN A 32 6.560 -20.146 10.826 1.00 0.41 H new ATOM 0 HA GLN A 32 4.290 -21.911 10.875 1.00 31.03 H new ATOM 0 HB2 GLN A 32 4.400 -19.364 10.398 1.00 14.11 H new ATOM 0 HB3 GLN A 32 4.963 -19.806 8.798 1.00 14.11 H new ATOM 0 HG2 GLN A 32 2.558 -19.412 8.768 1.00 32.21 H new ATOM 0 HG3 GLN A 32 2.901 -21.090 8.397 1.00 32.21 H new ATOM 0 HE21 GLN A 32 1.871 -22.652 9.520 1.00 2.52 H new ATOM 0 HE22 GLN A 32 0.968 -22.386 11.015 1.00 2.52 H new ATOM 501 N TYR A 33 6.559 -22.199 8.527 1.00 71.01 N ATOM 502 CA TYR A 33 7.023 -23.046 7.435 1.00 11.44 C ATOM 503 C TYR A 33 7.165 -24.495 7.892 1.00 52.42 C ATOM 504 O TYR A 33 6.756 -25.421 7.191 1.00 14.22 O ATOM 505 CB TYR A 33 8.361 -22.535 6.899 1.00 65.32 C ATOM 506 CG TYR A 33 8.880 -23.322 5.716 1.00 22.44 C ATOM 507 CD1 TYR A 33 9.652 -24.462 5.900 1.00 13.33 C ATOM 508 CD2 TYR A 33 8.598 -22.925 4.415 1.00 51.13 C ATOM 509 CE1 TYR A 33 10.129 -25.184 4.822 1.00 41.43 C ATOM 510 CE2 TYR A 33 9.068 -23.641 3.331 1.00 13.20 C ATOM 511 CZ TYR A 33 9.834 -24.769 3.540 1.00 71.22 C ATOM 512 OH TYR A 33 10.306 -25.485 2.464 1.00 45.24 O ATOM 0 H TYR A 33 7.221 -21.477 8.812 1.00 71.01 H new ATOM 0 HA TYR A 33 6.281 -23.007 6.638 1.00 11.44 H new ATOM 0 HB2 TYR A 33 8.252 -21.490 6.610 1.00 65.32 H new ATOM 0 HB3 TYR A 33 9.100 -22.568 7.699 1.00 65.32 H new ATOM 0 HD1 TYR A 33 9.884 -24.790 6.903 1.00 13.33 H new ATOM 0 HD2 TYR A 33 8.001 -22.041 4.248 1.00 51.13 H new ATOM 0 HE1 TYR A 33 10.729 -26.068 4.983 1.00 41.43 H new ATOM 0 HE2 TYR A 33 8.837 -23.320 2.326 1.00 13.20 H new ATOM 0 HH TYR A 33 10.008 -25.060 1.632 1.00 45.24 H new ATOM 522 N ALA A 34 7.746 -24.682 9.072 1.00 65.10 N ATOM 523 CA ALA A 34 7.940 -26.017 9.625 1.00 15.14 C ATOM 524 C ALA A 34 6.612 -26.631 10.054 1.00 13.42 C ATOM 525 O ALA A 34 6.292 -27.761 9.685 1.00 52.15 O ATOM 526 CB ALA A 34 8.905 -25.966 10.800 1.00 34.13 C ATOM 0 H ALA A 34 8.091 -23.926 9.664 1.00 65.10 H new ATOM 0 HA ALA A 34 8.367 -26.648 8.846 1.00 15.14 H new ATOM 0 HB1 ALA A 34 9.041 -26.970 11.203 1.00 34.13 H new ATOM 0 HB2 ALA A 34 9.866 -25.577 10.465 1.00 34.13 H new ATOM 0 HB3 ALA A 34 8.500 -25.315 11.575 1.00 34.13 H new ATOM 532 N ASN A 35 5.843 -25.881 10.836 1.00 4.40 N ATOM 533 CA ASN A 35 4.550 -26.353 11.316 1.00 31.34 C ATOM 534 C ASN A 35 3.666 -26.796 10.154 1.00 43.03 C ATOM 535 O ASN A 35 2.931 -27.778 10.259 1.00 20.12 O ATOM 536 CB ASN A 35 3.847 -25.254 12.116 1.00 3.41 C ATOM 537 CG ASN A 35 2.828 -25.810 13.091 1.00 1.54 C ATOM 538 OD1 ASN A 35 2.060 -26.713 12.756 1.00 2.23 O ATOM 539 ND2 ASN A 35 2.816 -25.272 14.305 1.00 14.42 N ATOM 0 H ASN A 35 6.093 -24.944 11.151 1.00 4.40 H new ATOM 0 HA ASN A 35 4.723 -27.211 11.965 1.00 31.34 H new ATOM 0 HB2 ASN A 35 4.591 -24.675 12.663 1.00 3.41 H new ATOM 0 HB3 ASN A 35 3.351 -24.568 11.429 1.00 3.41 H new ATOM 0 HD21 ASN A 35 2.152 -25.605 15.004 1.00 14.42 H new ATOM 0 HD22 ASN A 35 3.471 -24.526 14.539 1.00 14.42 H new ATOM 546 N ASP A 36 3.745 -26.066 9.047 1.00 53.14 N ATOM 547 CA ASP A 36 2.954 -26.385 7.864 1.00 3.55 C ATOM 548 C ASP A 36 3.267 -27.791 7.363 1.00 42.33 C ATOM 549 O ASP A 36 2.433 -28.434 6.727 1.00 4.33 O ATOM 550 CB ASP A 36 3.221 -25.364 6.756 1.00 33.04 C ATOM 551 CG ASP A 36 2.208 -25.452 5.632 1.00 53.01 C ATOM 552 OD1 ASP A 36 2.547 -26.015 4.570 1.00 24.45 O ATOM 553 OD2 ASP A 36 1.076 -24.957 5.814 1.00 4.10 O1- ATOM 0 H ASP A 36 4.348 -25.250 8.944 1.00 53.14 H new ATOM 0 HA ASP A 36 1.900 -26.344 8.140 1.00 3.55 H new ATOM 0 HB2 ASP A 36 3.203 -24.360 7.179 1.00 33.04 H new ATOM 0 HB3 ASP A 36 4.221 -25.523 6.353 1.00 33.04 H new ATOM 558 N ASN A 37 4.475 -28.262 7.654 1.00 42.23 N ATOM 559 CA ASN A 37 4.899 -29.592 7.232 1.00 52.53 C ATOM 560 C ASN A 37 4.778 -30.591 8.379 1.00 42.51 C ATOM 561 O ASN A 37 5.432 -31.633 8.380 1.00 31.02 O ATOM 562 CB ASN A 37 6.342 -29.553 6.725 1.00 15.40 C ATOM 563 CG ASN A 37 6.462 -28.876 5.374 1.00 24.42 C ATOM 564 OD1 ASN A 37 6.384 -29.526 4.332 1.00 60.52 O ATOM 565 ND2 ASN A 37 6.654 -27.562 5.386 1.00 73.23 N ATOM 0 H ASN A 37 5.178 -27.743 8.180 1.00 42.23 H new ATOM 0 HA ASN A 37 4.245 -29.915 6.422 1.00 52.53 H new ATOM 0 HB2 ASN A 37 6.964 -29.027 7.449 1.00 15.40 H new ATOM 0 HB3 ASN A 37 6.727 -30.570 6.654 1.00 15.40 H new ATOM 0 HD21 ASN A 37 6.743 -27.052 4.507 1.00 73.23 H new ATOM 0 HD22 ASN A 37 6.712 -27.063 6.274 1.00 73.23 H new ATOM 572 N GLY A 38 3.935 -30.265 9.354 1.00 51.42 N ATOM 573 CA GLY A 38 3.743 -31.144 10.493 1.00 22.24 C ATOM 574 C GLY A 38 5.030 -31.397 11.254 1.00 34.14 C ATOM 575 O GLY A 38 5.285 -32.516 11.699 1.00 33.12 O ATOM 0 H GLY A 38 3.382 -29.408 9.376 1.00 51.42 H new ATOM 0 HA2 GLY A 38 3.007 -30.705 11.166 1.00 22.24 H new ATOM 0 HA3 GLY A 38 3.335 -32.095 10.150 1.00 22.24 H new ATOM 579 N ILE A 39 5.842 -30.356 11.403 1.00 5.41 N ATOM 580 CA ILE A 39 7.109 -30.471 12.114 1.00 43.12 C ATOM 581 C ILE A 39 7.011 -29.869 13.512 1.00 65.21 C ATOM 582 O ILE A 39 6.590 -28.724 13.677 1.00 75.24 O ATOM 583 CB ILE A 39 8.250 -29.779 11.347 1.00 74.04 C ATOM 584 CG1 ILE A 39 8.396 -30.384 9.949 1.00 32.44 C ATOM 585 CG2 ILE A 39 9.556 -29.897 12.120 1.00 24.24 C ATOM 586 CD1 ILE A 39 9.301 -29.587 9.037 1.00 45.32 C ATOM 0 H ILE A 39 5.645 -29.423 11.041 1.00 5.41 H new ATOM 0 HA ILE A 39 7.331 -31.535 12.194 1.00 43.12 H new ATOM 0 HB ILE A 39 8.007 -28.722 11.241 1.00 74.04 H new ATOM 0 HG12 ILE A 39 8.787 -31.398 10.040 1.00 32.44 H new ATOM 0 HG13 ILE A 39 7.410 -30.462 9.491 1.00 32.44 H new ATOM 0 HG21 ILE A 39 10.353 -29.403 11.565 1.00 24.24 H new ATOM 0 HG22 ILE A 39 9.446 -29.423 13.095 1.00 24.24 H new ATOM 0 HG23 ILE A 39 9.806 -30.950 12.254 1.00 24.24 H new ATOM 0 HD11 ILE A 39 9.358 -30.075 8.064 1.00 45.32 H new ATOM 0 HD12 ILE A 39 8.900 -28.581 8.916 1.00 45.32 H new ATOM 0 HD13 ILE A 39 10.298 -29.530 9.473 1.00 45.32 H new ATOM 598 N ASP A 40 7.405 -30.646 14.514 1.00 61.20 N ATOM 599 CA ASP A 40 7.365 -30.189 15.898 1.00 24.44 C ATOM 600 C ASP A 40 8.392 -30.933 16.746 1.00 75.15 C ATOM 601 O ASP A 40 8.466 -32.161 16.713 1.00 21.14 O ATOM 602 CB ASP A 40 5.965 -30.383 16.482 1.00 21.12 C ATOM 603 CG ASP A 40 4.921 -29.541 15.775 1.00 61.13 C ATOM 604 OD1 ASP A 40 4.603 -28.444 16.280 1.00 32.42 O ATOM 605 OD2 ASP A 40 4.423 -29.979 14.717 1.00 33.42 O1- ATOM 0 H ASP A 40 7.756 -31.596 14.394 1.00 61.20 H new ATOM 0 HA ASP A 40 7.611 -29.127 15.911 1.00 24.44 H new ATOM 0 HB2 ASP A 40 5.688 -31.435 16.412 1.00 21.12 H new ATOM 0 HB3 ASP A 40 5.978 -30.127 17.541 1.00 21.12 H new ATOM 610 N GLY A 41 9.183 -30.181 17.505 1.00 21.24 N ATOM 611 CA GLY A 41 10.195 -30.787 18.350 1.00 13.12 C ATOM 612 C GLY A 41 10.951 -29.763 19.174 1.00 54.42 C ATOM 613 O GLY A 41 10.401 -28.727 19.544 1.00 31.04 O ATOM 0 H GLY A 41 9.141 -29.163 17.550 1.00 21.24 H new ATOM 0 HA2 GLY A 41 9.723 -31.509 19.017 1.00 13.12 H new ATOM 0 HA3 GLY A 41 10.899 -31.340 17.729 1.00 13.12 H new ATOM 617 N GLU A 42 12.215 -30.055 19.463 1.00 64.11 N ATOM 618 CA GLU A 42 13.046 -29.152 20.251 1.00 65.43 C ATOM 619 C GLU A 42 13.474 -27.944 19.422 1.00 12.22 C ATOM 620 O GLU A 42 14.382 -28.036 18.596 1.00 14.12 O ATOM 621 CB GLU A 42 14.281 -29.888 20.776 1.00 1.43 C ATOM 622 CG GLU A 42 14.054 -30.586 22.106 1.00 20.13 C ATOM 623 CD GLU A 42 15.040 -31.712 22.350 1.00 40.20 C ATOM 624 OE1 GLU A 42 15.390 -31.949 23.525 1.00 2.41 O ATOM 625 OE2 GLU A 42 15.462 -32.355 21.366 1.00 21.53 O1- ATOM 0 H GLU A 42 12.686 -30.909 19.164 1.00 64.11 H new ATOM 0 HA GLU A 42 12.455 -28.800 21.096 1.00 65.43 H new ATOM 0 HB2 GLU A 42 14.595 -30.625 20.037 1.00 1.43 H new ATOM 0 HB3 GLU A 42 15.099 -29.176 20.884 1.00 1.43 H new ATOM 0 HG2 GLU A 42 14.134 -29.857 22.913 1.00 20.13 H new ATOM 0 HG3 GLU A 42 13.040 -30.984 22.135 1.00 20.13 H new ATOM 632 N TRP A 43 12.814 -26.815 19.650 1.00 12.33 N ATOM 633 CA TRP A 43 13.125 -25.589 18.924 1.00 44.33 C ATOM 634 C TRP A 43 14.215 -24.796 19.637 1.00 24.52 C ATOM 635 O TRP A 43 14.026 -24.335 20.763 1.00 14.53 O ATOM 636 CB TRP A 43 11.869 -24.729 18.772 1.00 25.15 C ATOM 637 CG TRP A 43 11.029 -25.108 17.590 1.00 35.14 C ATOM 638 CD1 TRP A 43 10.107 -26.113 17.528 1.00 73.03 C ATOM 639 CD2 TRP A 43 11.037 -24.488 16.299 1.00 24.03 C ATOM 640 NE1 TRP A 43 9.541 -26.156 16.277 1.00 43.32 N ATOM 641 CE2 TRP A 43 10.093 -25.169 15.505 1.00 4.35 C ATOM 642 CE3 TRP A 43 11.747 -23.424 15.738 1.00 72.51 C ATOM 643 CZ2 TRP A 43 9.845 -24.818 14.180 1.00 45.31 C ATOM 644 CZ3 TRP A 43 11.500 -23.077 14.423 1.00 3.34 C ATOM 645 CH2 TRP A 43 10.555 -23.772 13.656 1.00 12.41 C ATOM 0 H TRP A 43 12.061 -26.723 20.331 1.00 12.33 H new ATOM 0 HA TRP A 43 13.490 -25.865 17.935 1.00 44.33 H new ATOM 0 HB2 TRP A 43 11.268 -24.813 19.678 1.00 25.15 H new ATOM 0 HB3 TRP A 43 12.162 -23.683 18.680 1.00 25.15 H new ATOM 0 HD1 TRP A 43 9.859 -26.777 18.343 1.00 73.03 H new ATOM 0 HE1 TRP A 43 8.826 -26.816 15.973 1.00 43.32 H new ATOM 0 HE3 TRP A 43 12.476 -22.882 16.322 1.00 72.51 H new ATOM 0 HZ2 TRP A 43 9.118 -25.353 13.587 1.00 45.31 H new ATOM 0 HZ3 TRP A 43 12.044 -22.257 13.979 1.00 3.34 H new ATOM 0 HH2 TRP A 43 10.384 -23.476 12.631 1.00 12.41 H new ATOM 656 N THR A 44 15.357 -24.639 18.974 1.00 34.53 N ATOM 657 CA THR A 44 16.477 -23.903 19.545 1.00 65.03 C ATOM 658 C THR A 44 16.763 -22.634 18.750 1.00 54.41 C ATOM 659 O THR A 44 16.355 -22.508 17.596 1.00 30.31 O ATOM 660 CB THR A 44 17.752 -24.766 19.589 1.00 61.21 C ATOM 661 OG1 THR A 44 18.285 -24.922 18.269 1.00 24.22 O ATOM 662 CG2 THR A 44 17.460 -26.134 20.188 1.00 35.31 C ATOM 0 H THR A 44 15.530 -25.012 18.041 1.00 34.53 H new ATOM 0 HA THR A 44 16.193 -23.635 20.563 1.00 65.03 H new ATOM 0 HB THR A 44 18.484 -24.260 20.218 1.00 61.21 H new ATOM 0 HG1 THR A 44 17.767 -25.599 17.785 1.00 24.22 H new ATOM 0 HG21 THR A 44 18.376 -26.725 20.208 1.00 35.31 H new ATOM 0 HG22 THR A 44 17.083 -26.014 21.204 1.00 35.31 H new ATOM 0 HG23 THR A 44 16.712 -26.645 19.582 1.00 35.31 H new ATOM 670 N TYR A 45 17.468 -21.697 19.375 1.00 42.04 N ATOM 671 CA TYR A 45 17.807 -20.436 18.725 1.00 11.43 C ATOM 672 C TYR A 45 19.160 -19.922 19.208 1.00 51.14 C ATOM 673 O TYR A 45 19.463 -19.964 20.401 1.00 5.30 O ATOM 674 CB TYR A 45 16.725 -19.391 18.998 1.00 44.21 C ATOM 675 CG TYR A 45 16.555 -19.062 20.464 1.00 0.20 C ATOM 676 CD1 TYR A 45 17.313 -18.064 21.064 1.00 21.12 C ATOM 677 CD2 TYR A 45 15.639 -19.751 21.249 1.00 61.13 C ATOM 678 CE1 TYR A 45 17.162 -17.760 22.404 1.00 52.42 C ATOM 679 CE2 TYR A 45 15.481 -19.453 22.589 1.00 11.21 C ATOM 680 CZ TYR A 45 16.244 -18.458 23.161 1.00 74.21 C ATOM 681 OH TYR A 45 16.090 -18.159 24.496 1.00 75.43 O ATOM 0 H TYR A 45 17.815 -21.787 20.330 1.00 42.04 H new ATOM 0 HA TYR A 45 17.868 -20.614 17.651 1.00 11.43 H new ATOM 0 HB2 TYR A 45 16.969 -18.478 18.456 1.00 44.21 H new ATOM 0 HB3 TYR A 45 15.775 -19.752 18.603 1.00 44.21 H new ATOM 0 HD1 TYR A 45 18.032 -17.516 20.473 1.00 21.12 H new ATOM 0 HD2 TYR A 45 15.040 -20.532 20.805 1.00 61.13 H new ATOM 0 HE1 TYR A 45 17.759 -16.981 22.855 1.00 52.42 H new ATOM 0 HE2 TYR A 45 14.763 -19.997 23.185 1.00 11.21 H new ATOM 0 HH TYR A 45 15.403 -18.741 24.884 1.00 75.43 H new ATOM 691 N ASP A 46 19.969 -19.436 18.273 1.00 21.33 N ATOM 692 CA ASP A 46 21.289 -18.911 18.601 1.00 1.32 C ATOM 693 C ASP A 46 21.379 -17.424 18.274 1.00 61.15 C ATOM 694 O ASP A 46 20.995 -16.993 17.186 1.00 72.22 O ATOM 695 CB ASP A 46 22.371 -19.680 17.841 1.00 43.44 C ATOM 696 CG ASP A 46 23.013 -20.763 18.686 1.00 51.23 C ATOM 697 OD1 ASP A 46 23.173 -20.548 19.906 1.00 21.34 O ATOM 698 OD2 ASP A 46 23.356 -21.825 18.127 1.00 62.22 O1- ATOM 0 H ASP A 46 19.733 -19.395 17.281 1.00 21.33 H new ATOM 0 HA ASP A 46 21.448 -19.039 19.672 1.00 1.32 H new ATOM 0 HB2 ASP A 46 21.935 -20.130 16.949 1.00 43.44 H new ATOM 0 HB3 ASP A 46 23.139 -18.984 17.504 1.00 43.44 H new ATOM 703 N ASP A 47 21.889 -16.645 19.221 1.00 41.54 N ATOM 704 CA ASP A 47 22.030 -15.205 19.034 1.00 4.41 C ATOM 705 C ASP A 47 23.385 -14.867 18.421 1.00 62.25 C ATOM 706 O ASP A 47 23.530 -13.861 17.728 1.00 5.11 O ATOM 707 CB ASP A 47 21.864 -14.477 20.368 1.00 71.13 C ATOM 708 CG ASP A 47 21.965 -12.971 20.223 1.00 1.25 C ATOM 709 OD1 ASP A 47 22.962 -12.394 20.706 1.00 61.20 O ATOM 710 OD2 ASP A 47 21.049 -12.371 19.624 1.00 74.15 O1- ATOM 0 H ASP A 47 22.212 -16.986 20.126 1.00 41.54 H new ATOM 0 HA ASP A 47 21.249 -14.874 18.349 1.00 4.41 H new ATOM 0 HB2 ASP A 47 20.897 -14.733 20.800 1.00 71.13 H new ATOM 0 HB3 ASP A 47 22.627 -14.824 21.065 1.00 71.13 H new ATOM 715 N ALA A 48 24.375 -15.715 18.681 1.00 25.10 N ATOM 716 CA ALA A 48 25.718 -15.507 18.155 1.00 40.24 C ATOM 717 C ALA A 48 25.771 -15.793 16.658 1.00 31.42 C ATOM 718 O ALA A 48 26.194 -14.949 15.868 1.00 53.32 O ATOM 719 CB ALA A 48 26.717 -16.381 18.897 1.00 4.21 C ATOM 0 H ALA A 48 24.272 -16.553 19.253 1.00 25.10 H new ATOM 0 HA ALA A 48 25.984 -14.461 18.308 1.00 40.24 H new ATOM 0 HB1 ALA A 48 27.716 -16.215 18.493 1.00 4.21 H new ATOM 0 HB2 ALA A 48 26.707 -16.126 19.957 1.00 4.21 H new ATOM 0 HB3 ALA A 48 26.445 -17.429 18.774 1.00 4.21 H new ATOM 725 N THR A 49 25.340 -16.991 16.273 1.00 12.11 N ATOM 726 CA THR A 49 25.341 -17.390 14.871 1.00 74.11 C ATOM 727 C THR A 49 24.081 -16.907 14.162 1.00 70.20 C ATOM 728 O THR A 49 24.016 -16.887 12.933 1.00 32.42 O ATOM 729 CB THR A 49 25.446 -18.919 14.722 1.00 24.41 C ATOM 730 OG1 THR A 49 24.205 -19.533 15.089 1.00 1.21 O ATOM 731 CG2 THR A 49 26.567 -19.472 15.590 1.00 41.21 C ATOM 0 H THR A 49 24.986 -17.702 16.913 1.00 12.11 H new ATOM 0 HA THR A 49 26.214 -16.927 14.411 1.00 74.11 H new ATOM 0 HB THR A 49 25.669 -19.146 13.680 1.00 24.41 H new ATOM 0 HG1 THR A 49 24.279 -20.505 14.990 1.00 1.21 H new ATOM 0 HG21 THR A 49 26.622 -20.554 15.468 1.00 41.21 H new ATOM 0 HG22 THR A 49 27.514 -19.025 15.289 1.00 41.21 H new ATOM 0 HG23 THR A 49 26.369 -19.234 16.635 1.00 41.21 H new ATOM 739 N LYS A 50 23.080 -16.516 14.944 1.00 21.45 N ATOM 740 CA LYS A 50 21.821 -16.031 14.392 1.00 24.50 C ATOM 741 C LYS A 50 21.176 -17.085 13.498 1.00 44.50 C ATOM 742 O LYS A 50 20.726 -16.786 12.391 1.00 62.24 O ATOM 743 CB LYS A 50 22.052 -14.744 13.595 1.00 43.32 C ATOM 744 CG LYS A 50 22.178 -13.505 14.465 1.00 63.34 C ATOM 745 CD LYS A 50 20.886 -13.211 15.208 1.00 34.24 C ATOM 746 CE LYS A 50 20.810 -11.755 15.639 1.00 43.43 C ATOM 747 NZ LYS A 50 20.434 -10.861 14.509 1.00 51.44 N1+ ATOM 0 H LYS A 50 23.117 -16.526 15.963 1.00 21.45 H new ATOM 0 HA LYS A 50 21.146 -15.822 15.222 1.00 24.50 H new ATOM 0 HB2 LYS A 50 22.958 -14.853 12.999 1.00 43.32 H new ATOM 0 HB3 LYS A 50 21.226 -14.605 12.897 1.00 43.32 H new ATOM 0 HG2 LYS A 50 22.987 -13.644 15.182 1.00 63.34 H new ATOM 0 HG3 LYS A 50 22.445 -12.649 13.845 1.00 63.34 H new ATOM 0 HD2 LYS A 50 20.035 -13.447 14.568 1.00 34.24 H new ATOM 0 HD3 LYS A 50 20.814 -13.855 16.084 1.00 34.24 H new ATOM 0 HE2 LYS A 50 20.080 -11.652 16.442 1.00 43.43 H new ATOM 0 HE3 LYS A 50 21.774 -11.445 16.042 1.00 43.43 H new ATOM 0 HZ1 LYS A 50 20.804 -9.905 14.685 1.00 51.44 H new ATOM 0 HZ2 LYS A 50 20.837 -11.231 13.625 1.00 51.44 H new ATOM 0 HZ3 LYS A 50 19.398 -10.822 14.427 1.00 51.44 H new ATOM 761 N THR A 51 21.134 -18.322 13.985 1.00 11.32 N ATOM 762 CA THR A 51 20.544 -19.420 13.231 1.00 1.22 C ATOM 763 C THR A 51 19.602 -20.243 14.103 1.00 61.11 C ATOM 764 O THR A 51 19.855 -20.441 15.291 1.00 14.31 O ATOM 765 CB THR A 51 21.627 -20.347 12.648 1.00 32.44 C ATOM 766 OG1 THR A 51 22.484 -19.609 11.770 1.00 5.41 O ATOM 767 CG2 THR A 51 20.998 -21.508 11.893 1.00 11.53 C ATOM 0 H THR A 51 21.502 -18.588 14.899 1.00 11.32 H new ATOM 0 HA THR A 51 19.979 -18.973 12.413 1.00 1.22 H new ATOM 0 HB THR A 51 22.213 -20.748 13.475 1.00 32.44 H new ATOM 0 HG1 THR A 51 23.171 -20.206 11.405 1.00 5.41 H new ATOM 0 HG21 THR A 51 21.783 -22.148 11.491 1.00 11.53 H new ATOM 0 HG22 THR A 51 20.370 -22.086 12.571 1.00 11.53 H new ATOM 0 HG23 THR A 51 20.389 -21.123 11.075 1.00 11.53 H new ATOM 775 N PHE A 52 18.515 -20.720 13.505 1.00 30.20 N ATOM 776 CA PHE A 52 17.535 -21.522 14.228 1.00 4.54 C ATOM 777 C PHE A 52 17.637 -22.992 13.833 1.00 30.30 C ATOM 778 O PHE A 52 17.745 -23.324 12.651 1.00 21.14 O ATOM 779 CB PHE A 52 16.121 -21.005 13.956 1.00 12.04 C ATOM 780 CG PHE A 52 15.837 -19.674 14.591 1.00 74.44 C ATOM 781 CD1 PHE A 52 15.310 -19.601 15.871 1.00 35.05 C ATOM 782 CD2 PHE A 52 16.096 -18.497 13.909 1.00 63.21 C ATOM 783 CE1 PHE A 52 15.047 -18.378 16.459 1.00 30.21 C ATOM 784 CE2 PHE A 52 15.835 -17.271 14.492 1.00 0.41 C ATOM 785 CZ PHE A 52 15.309 -17.211 15.768 1.00 61.44 C ATOM 0 H PHE A 52 18.291 -20.565 12.522 1.00 30.20 H new ATOM 0 HA PHE A 52 17.747 -21.436 15.294 1.00 4.54 H new ATOM 0 HB2 PHE A 52 15.973 -20.924 12.879 1.00 12.04 H new ATOM 0 HB3 PHE A 52 15.399 -21.735 14.322 1.00 12.04 H new ATOM 0 HD1 PHE A 52 15.102 -20.510 16.415 1.00 35.05 H new ATOM 0 HD2 PHE A 52 16.506 -18.537 12.911 1.00 63.21 H new ATOM 0 HE1 PHE A 52 14.637 -18.335 17.457 1.00 30.21 H new ATOM 0 HE2 PHE A 52 16.042 -16.360 13.950 1.00 0.41 H new ATOM 0 HZ PHE A 52 15.103 -16.254 16.224 1.00 61.44 H new ATOM 795 N THR A 53 17.601 -23.871 14.829 1.00 0.11 N ATOM 796 CA THR A 53 17.691 -25.306 14.587 1.00 21.01 C ATOM 797 C THR A 53 16.645 -26.066 15.395 1.00 13.54 C ATOM 798 O THR A 53 16.507 -25.860 16.601 1.00 65.33 O ATOM 799 CB THR A 53 19.089 -25.849 14.938 1.00 71.55 C ATOM 800 OG1 THR A 53 20.084 -25.187 14.149 1.00 33.14 O ATOM 801 CG2 THR A 53 19.162 -27.349 14.701 1.00 42.43 C ATOM 0 H THR A 53 17.510 -23.614 15.812 1.00 0.11 H new ATOM 0 HA THR A 53 17.507 -25.459 13.524 1.00 21.01 H new ATOM 0 HB THR A 53 19.275 -25.655 15.994 1.00 71.55 H new ATOM 0 HG1 THR A 53 20.970 -25.537 14.379 1.00 33.14 H new ATOM 0 HG21 THR A 53 20.159 -27.710 14.956 1.00 42.43 H new ATOM 0 HG22 THR A 53 18.423 -27.852 15.325 1.00 42.43 H new ATOM 0 HG23 THR A 53 18.956 -27.562 13.652 1.00 42.43 H new ATOM 809 N VAL A 54 15.911 -26.947 14.723 1.00 41.10 N ATOM 810 CA VAL A 54 14.878 -27.740 15.380 1.00 72.00 C ATOM 811 C VAL A 54 15.226 -29.224 15.354 1.00 45.11 C ATOM 812 O VAL A 54 15.220 -29.857 14.298 1.00 12.34 O ATOM 813 CB VAL A 54 13.504 -27.534 14.714 1.00 0.11 C ATOM 814 CG1 VAL A 54 12.411 -28.214 15.525 1.00 3.22 C ATOM 815 CG2 VAL A 54 13.211 -26.051 14.546 1.00 74.40 C ATOM 0 H VAL A 54 16.012 -27.130 13.725 1.00 41.10 H new ATOM 0 HA VAL A 54 14.827 -27.400 16.414 1.00 72.00 H new ATOM 0 HB VAL A 54 13.526 -27.991 13.724 1.00 0.11 H new ATOM 0 HG11 VAL A 54 11.447 -28.058 15.040 1.00 3.22 H new ATOM 0 HG12 VAL A 54 12.617 -29.283 15.589 1.00 3.22 H new ATOM 0 HG13 VAL A 54 12.385 -27.789 16.528 1.00 3.22 H new ATOM 0 HG21 VAL A 54 12.237 -25.924 14.074 1.00 74.40 H new ATOM 0 HG22 VAL A 54 13.207 -25.568 15.523 1.00 74.40 H new ATOM 0 HG23 VAL A 54 13.979 -25.597 13.920 1.00 74.40 H new ATOM 825 N THR A 55 15.529 -29.776 16.525 1.00 72.33 N ATOM 826 CA THR A 55 15.880 -31.186 16.638 1.00 3.13 C ATOM 827 C THR A 55 14.635 -32.051 16.796 1.00 12.32 C ATOM 828 O THR A 55 14.079 -32.160 17.889 1.00 74.03 O ATOM 829 CB THR A 55 16.821 -31.437 17.831 1.00 4.31 C ATOM 830 OG1 THR A 55 17.788 -30.384 17.922 1.00 72.43 O ATOM 831 CG2 THR A 55 17.531 -32.774 17.688 1.00 14.14 C ATOM 0 H THR A 55 15.538 -29.267 17.409 1.00 72.33 H new ATOM 0 HA THR A 55 16.394 -31.459 15.716 1.00 3.13 H new ATOM 0 HB THR A 55 16.221 -31.458 18.741 1.00 4.31 H new ATOM 0 HG1 THR A 55 18.382 -30.550 18.684 1.00 72.43 H new ATOM 0 HG21 THR A 55 18.190 -32.929 18.542 1.00 14.14 H new ATOM 0 HG22 THR A 55 16.793 -33.575 17.649 1.00 14.14 H new ATOM 0 HG23 THR A 55 18.119 -32.777 16.770 1.00 14.14 H new ATOM 839 N GLU A 56 14.204 -32.666 15.699 1.00 21.23 N ATOM 840 CA GLU A 56 13.024 -33.523 15.718 1.00 55.12 C ATOM 841 C GLU A 56 13.345 -34.878 16.342 1.00 33.02 C ATOM 842 O GLU A 56 13.563 -35.861 15.635 1.00 51.44 O ATOM 843 CB GLU A 56 12.485 -33.717 14.300 1.00 55.30 C ATOM 844 CG GLU A 56 11.632 -32.559 13.809 1.00 43.44 C ATOM 845 CD GLU A 56 10.764 -32.935 12.624 1.00 30.12 C ATOM 846 OE1 GLU A 56 11.130 -32.579 11.484 1.00 71.33 O ATOM 847 OE2 GLU A 56 9.719 -33.585 12.836 1.00 70.21 O1- ATOM 0 H GLU A 56 14.654 -32.587 14.787 1.00 21.23 H new ATOM 0 HA GLU A 56 12.262 -33.035 16.325 1.00 55.12 H new ATOM 0 HB2 GLU A 56 13.324 -33.855 13.617 1.00 55.30 H new ATOM 0 HB3 GLU A 56 11.894 -34.632 14.267 1.00 55.30 H new ATOM 0 HG2 GLU A 56 10.997 -32.210 14.623 1.00 43.44 H new ATOM 0 HG3 GLU A 56 12.280 -31.728 13.531 1.00 43.44 H new