USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 510 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+ -154:sc= -0.0423 (180deg=-0.396) USER MOD Single : A 4 THR OG1 : rot -66:sc= 0.661 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0173) USER MOD Single : A 19 SER OG : rot 61:sc= 0.128 USER MOD Single : A 24 THR OG1 : rot 42:sc= 1.12 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.00541 X(o=0.0054,f=0) USER MOD Single : A 36 SER OG : rot -99:sc= -0.57 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc=-0.00525 X(o=-0.0052,f=-0.15) USER MOD Single : A 57 TYR OH : rot -21:sc= -0.156 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.155 13.709 2.865 1.00 11.25 N ATOM 2 CA MET A 1 -1.138 13.587 1.795 1.00 32.33 C ATOM 3 C MET A 1 -0.523 12.927 0.565 1.00 33.42 C ATOM 4 O MET A 1 -0.400 13.550 -0.489 1.00 53.12 O ATOM 5 CB MET A 1 -1.695 14.963 1.425 1.00 31.34 C ATOM 6 CG MET A 1 -2.436 15.645 2.564 1.00 24.22 C ATOM 7 SD MET A 1 -1.879 17.338 2.840 1.00 63.54 S ATOM 8 CE MET A 1 -3.295 18.260 2.247 1.00 1.43 C ATOM 0 H1 MET A 1 -0.643 13.732 3.783 1.00 11.25 H new ATOM 0 H2 MET A 1 0.492 12.895 2.837 1.00 11.25 H new ATOM 0 H3 MET A 1 0.388 14.587 2.739 1.00 11.25 H new ATOM 0 HA MET A 1 -1.953 12.958 2.154 1.00 32.33 H new ATOM 0 HB2 MET A 1 -0.874 15.603 1.102 1.00 31.34 H new ATOM 0 HB3 MET A 1 -2.370 14.856 0.576 1.00 31.34 H new ATOM 0 HG2 MET A 1 -3.504 15.649 2.347 1.00 24.22 H new ATOM 0 HG3 MET A 1 -2.299 15.068 3.478 1.00 24.22 H new ATOM 0 HE1 MET A 1 -3.104 19.328 2.352 1.00 1.43 H new ATOM 0 HE2 MET A 1 -3.469 18.024 1.197 1.00 1.43 H new ATOM 0 HE3 MET A 1 -4.175 17.990 2.830 1.00 1.43 H new ATOM 18 N ASP A 2 -0.139 11.663 0.707 1.00 1.05 N ATOM 19 CA ASP A 2 0.463 10.918 -0.393 1.00 14.43 C ATOM 20 C ASP A 2 1.725 11.613 -0.893 1.00 51.43 C ATOM 21 O ASP A 2 2.167 12.607 -0.318 1.00 12.21 O ATOM 22 CB ASP A 2 -0.538 10.763 -1.539 1.00 40.41 C ATOM 23 CG ASP A 2 -1.777 9.993 -1.126 1.00 64.22 C ATOM 24 OD1 ASP A 2 -1.723 8.745 -1.116 1.00 4.45 O ATOM 25 OD2 ASP A 2 -2.800 10.637 -0.815 1.00 13.14 O ATOM 0 H ASP A 2 -0.234 11.133 1.573 1.00 1.05 H new ATOM 0 HA ASP A 2 0.737 9.930 -0.024 1.00 14.43 H new ATOM 0 HB2 ASP A 2 -0.830 11.750 -1.898 1.00 40.41 H new ATOM 0 HB3 ASP A 2 -0.056 10.250 -2.372 1.00 40.41 H new ATOM 30 N GLU A 3 2.300 11.082 -1.968 1.00 4.53 N ATOM 31 CA GLU A 3 3.513 11.652 -2.544 1.00 21.53 C ATOM 32 C GLU A 3 4.677 11.561 -1.561 1.00 14.35 C ATOM 33 O GLU A 3 5.660 12.293 -1.675 1.00 44.22 O ATOM 34 CB GLU A 3 3.279 13.110 -2.942 1.00 3.43 C ATOM 35 CG GLU A 3 2.001 13.328 -3.734 1.00 63.22 C ATOM 36 CD GLU A 3 2.058 12.703 -5.115 1.00 13.41 C ATOM 37 OE1 GLU A 3 2.664 13.317 -6.018 1.00 63.43 O ATOM 38 OE2 GLU A 3 1.496 11.603 -5.292 1.00 74.44 O ATOM 0 H GLU A 3 1.946 10.260 -2.457 1.00 4.53 H new ATOM 0 HA GLU A 3 3.767 11.077 -3.434 1.00 21.53 H new ATOM 0 HB2 GLU A 3 3.247 13.723 -2.041 1.00 3.43 H new ATOM 0 HB3 GLU A 3 4.126 13.457 -3.533 1.00 3.43 H new ATOM 0 HG2 GLU A 3 1.160 12.907 -3.183 1.00 63.22 H new ATOM 0 HG3 GLU A 3 1.816 14.398 -3.831 1.00 63.22 H new ATOM 45 N THR A 4 4.557 10.658 -0.592 1.00 61.03 N ATOM 46 CA THR A 4 5.596 10.472 0.412 1.00 4.22 C ATOM 47 C THR A 4 5.182 9.432 1.447 1.00 52.05 C ATOM 48 O THR A 4 4.820 9.772 2.572 1.00 32.42 O ATOM 49 CB THR A 4 5.924 11.794 1.133 1.00 60.33 C ATOM 50 OG1 THR A 4 6.727 11.535 2.290 1.00 73.11 O ATOM 51 CG2 THR A 4 4.650 12.516 1.544 1.00 30.02 C ATOM 0 H THR A 4 3.750 10.044 -0.482 1.00 61.03 H new ATOM 0 HA THR A 4 6.484 10.123 -0.114 1.00 4.22 H new ATOM 0 HB THR A 4 6.477 12.431 0.443 1.00 60.33 H new ATOM 0 HG1 THR A 4 6.203 11.029 2.945 1.00 73.11 H new ATOM 0 HG21 THR A 4 4.906 13.446 2.051 1.00 30.02 H new ATOM 0 HG22 THR A 4 4.055 12.738 0.658 1.00 30.02 H new ATOM 0 HG23 THR A 4 4.074 11.882 2.218 1.00 30.02 H new ATOM 59 N GLY A 5 5.238 8.162 1.057 1.00 32.22 N ATOM 60 CA GLY A 5 4.866 7.091 1.963 1.00 14.14 C ATOM 61 C GLY A 5 4.688 5.765 1.252 1.00 71.34 C ATOM 62 O GLY A 5 4.842 4.702 1.854 1.00 13.24 O ATOM 0 H GLY A 5 5.534 7.856 0.130 1.00 32.22 H new ATOM 0 HA2 GLY A 5 5.632 6.987 2.732 1.00 14.14 H new ATOM 0 HA3 GLY A 5 3.938 7.355 2.471 1.00 14.14 H new ATOM 66 N LYS A 6 4.361 5.824 -0.035 1.00 4.51 N ATOM 67 CA LYS A 6 4.162 4.619 -0.831 1.00 14.31 C ATOM 68 C LYS A 6 5.458 4.198 -1.516 1.00 1.35 C ATOM 69 O LYS A 6 6.036 4.959 -2.291 1.00 0.43 O ATOM 70 CB LYS A 6 3.071 4.851 -1.879 1.00 72.41 C ATOM 71 CG LYS A 6 3.396 5.963 -2.861 1.00 25.03 C ATOM 72 CD LYS A 6 2.197 6.312 -3.726 1.00 63.32 C ATOM 73 CE LYS A 6 2.597 6.504 -5.181 1.00 42.31 C ATOM 74 NZ LYS A 6 2.034 7.760 -5.749 1.00 41.34 N ATOM 0 H LYS A 6 4.228 6.695 -0.549 1.00 4.51 H new ATOM 0 HA LYS A 6 3.850 3.818 -0.161 1.00 14.31 H new ATOM 0 HB2 LYS A 6 2.908 3.926 -2.432 1.00 72.41 H new ATOM 0 HB3 LYS A 6 2.136 5.088 -1.371 1.00 72.41 H new ATOM 0 HG2 LYS A 6 3.721 6.848 -2.315 1.00 25.03 H new ATOM 0 HG3 LYS A 6 4.227 5.657 -3.496 1.00 25.03 H new ATOM 0 HD2 LYS A 6 1.452 5.520 -3.654 1.00 63.32 H new ATOM 0 HD3 LYS A 6 1.730 7.223 -3.352 1.00 63.32 H new ATOM 0 HE2 LYS A 6 3.684 6.525 -5.259 1.00 42.31 H new ATOM 0 HE3 LYS A 6 2.252 5.653 -5.768 1.00 42.31 H new ATOM 0 HZ1 LYS A 6 2.329 7.855 -6.742 1.00 41.34 H new ATOM 0 HZ2 LYS A 6 0.996 7.729 -5.698 1.00 41.34 H new ATOM 0 HZ3 LYS A 6 2.384 8.574 -5.205 1.00 41.34 H new ATOM 88 N GLU A 7 5.908 2.982 -1.224 1.00 72.34 N ATOM 89 CA GLU A 7 7.136 2.461 -1.813 1.00 72.24 C ATOM 90 C GLU A 7 6.914 2.061 -3.269 1.00 70.13 C ATOM 91 O GLU A 7 7.077 0.897 -3.637 1.00 34.50 O ATOM 92 CB GLU A 7 7.641 1.258 -1.014 1.00 31.20 C ATOM 93 CG GLU A 7 7.956 1.580 0.437 1.00 43.40 C ATOM 94 CD GLU A 7 9.056 0.704 1.004 1.00 61.33 C ATOM 95 OE1 GLU A 7 8.737 -0.390 1.516 1.00 4.11 O ATOM 96 OE2 GLU A 7 10.235 1.111 0.935 1.00 34.43 O ATOM 0 H GLU A 7 5.441 2.340 -0.584 1.00 72.34 H new ATOM 0 HA GLU A 7 7.887 3.250 -1.781 1.00 72.24 H new ATOM 0 HB2 GLU A 7 6.890 0.469 -1.047 1.00 31.20 H new ATOM 0 HB3 GLU A 7 8.538 0.865 -1.493 1.00 31.20 H new ATOM 0 HG2 GLU A 7 8.252 2.626 0.517 1.00 43.40 H new ATOM 0 HG3 GLU A 7 7.054 1.457 1.036 1.00 43.40 H new ATOM 103 N LEU A 8 6.541 3.034 -4.093 1.00 61.35 N ATOM 104 CA LEU A 8 6.296 2.785 -5.510 1.00 31.42 C ATOM 105 C LEU A 8 6.977 3.841 -6.374 1.00 73.23 C ATOM 106 O LEU A 8 7.297 4.932 -5.903 1.00 14.20 O ATOM 107 CB LEU A 8 4.793 2.769 -5.792 1.00 54.43 C ATOM 108 CG LEU A 8 4.347 1.962 -7.012 1.00 40.11 C ATOM 109 CD1 LEU A 8 3.390 0.855 -6.599 1.00 13.02 C ATOM 110 CD2 LEU A 8 3.699 2.872 -8.046 1.00 22.50 C ATOM 0 H LEU A 8 6.402 4.002 -3.805 1.00 61.35 H new ATOM 0 HA LEU A 8 6.717 1.811 -5.761 1.00 31.42 H new ATOM 0 HB2 LEU A 8 4.283 2.373 -4.914 1.00 54.43 H new ATOM 0 HB3 LEU A 8 4.457 3.798 -5.919 1.00 54.43 H new ATOM 0 HG LEU A 8 5.228 1.504 -7.462 1.00 40.11 H new ATOM 0 HD11 LEU A 8 3.083 0.292 -7.480 1.00 13.02 H new ATOM 0 HD12 LEU A 8 3.888 0.187 -5.896 1.00 13.02 H new ATOM 0 HD13 LEU A 8 2.512 1.292 -6.124 1.00 13.02 H new ATOM 0 HD21 LEU A 8 3.388 2.281 -8.907 1.00 22.50 H new ATOM 0 HD22 LEU A 8 2.829 3.360 -7.607 1.00 22.50 H new ATOM 0 HD23 LEU A 8 4.416 3.628 -8.365 1.00 22.50 H new ATOM 122 N VAL A 9 7.194 3.510 -7.643 1.00 73.43 N ATOM 123 CA VAL A 9 7.833 4.431 -8.575 1.00 63.42 C ATOM 124 C VAL A 9 6.953 4.677 -9.795 1.00 64.15 C ATOM 125 O VAL A 9 6.343 3.751 -10.332 1.00 23.01 O ATOM 126 CB VAL A 9 9.201 3.897 -9.041 1.00 41.54 C ATOM 127 CG1 VAL A 9 10.071 3.540 -7.846 1.00 12.12 C ATOM 128 CG2 VAL A 9 9.020 2.697 -9.958 1.00 23.45 C ATOM 0 H VAL A 9 6.936 2.610 -8.049 1.00 73.43 H new ATOM 0 HA VAL A 9 7.980 5.370 -8.042 1.00 63.42 H new ATOM 0 HB VAL A 9 9.705 4.682 -9.604 1.00 41.54 H new ATOM 0 HG11 VAL A 9 11.033 3.165 -8.195 1.00 12.12 H new ATOM 0 HG12 VAL A 9 10.229 4.427 -7.233 1.00 12.12 H new ATOM 0 HG13 VAL A 9 9.576 2.772 -7.252 1.00 12.12 H new ATOM 0 HG21 VAL A 9 9.996 2.333 -10.278 1.00 23.45 H new ATOM 0 HG22 VAL A 9 8.495 1.906 -9.423 1.00 23.45 H new ATOM 0 HG23 VAL A 9 8.439 2.991 -10.832 1.00 23.45 H new ATOM 138 N LEU A 10 6.892 5.931 -10.230 1.00 62.43 N ATOM 139 CA LEU A 10 6.087 6.300 -11.389 1.00 53.12 C ATOM 140 C LEU A 10 6.893 7.154 -12.363 1.00 32.22 C ATOM 141 O LEU A 10 7.763 7.923 -11.956 1.00 12.13 O ATOM 142 CB LEU A 10 4.835 7.058 -10.944 1.00 51.11 C ATOM 143 CG LEU A 10 3.899 6.310 -9.994 1.00 61.44 C ATOM 144 CD1 LEU A 10 4.388 6.430 -8.559 1.00 75.42 C ATOM 145 CD2 LEU A 10 2.477 6.836 -10.122 1.00 1.44 C ATOM 0 H LEU A 10 7.390 6.709 -9.798 1.00 62.43 H new ATOM 0 HA LEU A 10 5.788 5.384 -11.899 1.00 53.12 H new ATOM 0 HB2 LEU A 10 5.148 7.983 -10.460 1.00 51.11 H new ATOM 0 HB3 LEU A 10 4.270 7.339 -11.833 1.00 51.11 H new ATOM 0 HG LEU A 10 3.900 5.255 -10.269 1.00 61.44 H new ATOM 0 HD11 LEU A 10 3.710 5.892 -7.897 1.00 75.42 H new ATOM 0 HD12 LEU A 10 5.388 6.004 -8.478 1.00 75.42 H new ATOM 0 HD13 LEU A 10 4.417 7.481 -8.271 1.00 75.42 H new ATOM 0 HD21 LEU A 10 1.825 6.292 -9.439 1.00 1.44 H new ATOM 0 HD22 LEU A 10 2.458 7.897 -9.874 1.00 1.44 H new ATOM 0 HD23 LEU A 10 2.128 6.696 -11.145 1.00 1.44 H new ATOM 157 N ALA A 11 6.596 7.014 -13.651 1.00 33.34 N ATOM 158 CA ALA A 11 7.290 7.775 -14.682 1.00 14.02 C ATOM 159 C ALA A 11 6.808 9.221 -14.714 1.00 52.52 C ATOM 160 O ALA A 11 5.607 9.485 -14.789 1.00 51.14 O ATOM 161 CB ALA A 11 7.095 7.121 -16.042 1.00 14.22 C ATOM 0 H ALA A 11 5.879 6.380 -14.005 1.00 33.34 H new ATOM 0 HA ALA A 11 8.353 7.779 -14.443 1.00 14.02 H new ATOM 0 HB1 ALA A 11 7.619 7.700 -16.803 1.00 14.22 H new ATOM 0 HB2 ALA A 11 7.494 6.107 -16.019 1.00 14.22 H new ATOM 0 HB3 ALA A 11 6.032 7.087 -16.280 1.00 14.22 H new ATOM 167 N LEU A 12 7.751 10.156 -14.656 1.00 74.52 N ATOM 168 CA LEU A 12 7.422 11.577 -14.678 1.00 70.32 C ATOM 169 C LEU A 12 7.337 12.094 -16.111 1.00 22.13 C ATOM 170 O LEU A 12 6.555 12.996 -16.410 1.00 40.24 O ATOM 171 CB LEU A 12 8.468 12.374 -13.897 1.00 13.20 C ATOM 172 CG LEU A 12 7.927 13.467 -12.974 1.00 33.53 C ATOM 173 CD1 LEU A 12 7.099 14.470 -13.762 1.00 34.43 C ATOM 174 CD2 LEU A 12 7.101 12.855 -11.851 1.00 40.31 C ATOM 0 H LEU A 12 8.749 9.955 -14.593 1.00 74.52 H new ATOM 0 HA LEU A 12 6.448 11.707 -14.206 1.00 70.32 H new ATOM 0 HB2 LEU A 12 9.054 11.677 -13.298 1.00 13.20 H new ATOM 0 HB3 LEU A 12 9.152 12.834 -14.610 1.00 13.20 H new ATOM 0 HG LEU A 12 8.772 13.994 -12.531 1.00 33.53 H new ATOM 0 HD11 LEU A 12 6.723 15.240 -13.089 1.00 34.43 H new ATOM 0 HD12 LEU A 12 7.720 14.931 -14.530 1.00 34.43 H new ATOM 0 HD13 LEU A 12 6.260 13.958 -14.233 1.00 34.43 H new ATOM 0 HD21 LEU A 12 6.724 13.647 -11.204 1.00 40.31 H new ATOM 0 HD22 LEU A 12 6.262 12.303 -12.275 1.00 40.31 H new ATOM 0 HD23 LEU A 12 7.725 12.177 -11.269 1.00 40.31 H new ATOM 186 N TYR A 13 8.145 11.515 -16.992 1.00 5.13 N ATOM 187 CA TYR A 13 8.162 11.918 -18.393 1.00 61.50 C ATOM 188 C TYR A 13 8.424 10.720 -19.301 1.00 25.33 C ATOM 189 O TYR A 13 9.393 9.984 -19.112 1.00 64.10 O ATOM 190 CB TYR A 13 9.228 12.990 -18.625 1.00 13.23 C ATOM 191 CG TYR A 13 8.694 14.402 -18.540 1.00 51.33 C ATOM 192 CD1 TYR A 13 7.751 14.865 -19.450 1.00 61.23 C ATOM 193 CD2 TYR A 13 9.133 15.274 -17.552 1.00 13.14 C ATOM 194 CE1 TYR A 13 7.261 16.154 -19.378 1.00 11.44 C ATOM 195 CE2 TYR A 13 8.647 16.565 -17.470 1.00 71.25 C ATOM 196 CZ TYR A 13 7.711 17.000 -18.386 1.00 5.33 C ATOM 197 OH TYR A 13 7.226 18.286 -18.309 1.00 62.31 O ATOM 0 H TYR A 13 8.797 10.765 -16.761 1.00 5.13 H new ATOM 0 HA TYR A 13 7.183 12.330 -18.638 1.00 61.50 H new ATOM 0 HB2 TYR A 13 10.022 12.866 -17.889 1.00 13.23 H new ATOM 0 HB3 TYR A 13 9.676 12.838 -19.607 1.00 13.23 H new ATOM 0 HD1 TYR A 13 7.395 14.205 -20.227 1.00 61.23 H new ATOM 0 HD2 TYR A 13 9.867 14.937 -16.835 1.00 13.14 H new ATOM 0 HE1 TYR A 13 6.530 16.498 -20.094 1.00 11.44 H new ATOM 0 HE2 TYR A 13 8.997 17.229 -16.694 1.00 71.25 H new ATOM 0 HH TYR A 13 7.645 18.749 -17.553 1.00 62.31 H new ATOM 207 N ASP A 14 7.554 10.531 -20.287 1.00 3.34 N ATOM 208 CA ASP A 14 7.691 9.424 -21.226 1.00 41.41 C ATOM 209 C ASP A 14 9.091 9.396 -21.833 1.00 14.24 C ATOM 210 O ASP A 14 9.729 10.437 -21.995 1.00 30.55 O ATOM 211 CB ASP A 14 6.643 9.536 -22.335 1.00 24.12 C ATOM 212 CG ASP A 14 6.739 10.846 -23.092 1.00 64.44 C ATOM 213 OD1 ASP A 14 7.559 10.929 -24.030 1.00 43.24 O ATOM 214 OD2 ASP A 14 5.995 11.787 -22.747 1.00 2.33 O ATOM 0 H ASP A 14 6.746 11.130 -20.457 1.00 3.34 H new ATOM 0 HA ASP A 14 7.533 8.494 -20.679 1.00 41.41 H new ATOM 0 HB2 ASP A 14 6.766 8.707 -23.032 1.00 24.12 H new ATOM 0 HB3 ASP A 14 5.648 9.443 -21.901 1.00 24.12 H new ATOM 219 N TYR A 15 9.562 8.200 -22.165 1.00 74.50 N ATOM 220 CA TYR A 15 10.887 8.035 -22.750 1.00 51.43 C ATOM 221 C TYR A 15 10.926 6.825 -23.679 1.00 5.44 C ATOM 222 O TYR A 15 11.960 6.172 -23.820 1.00 12.12 O ATOM 223 CB TYR A 15 11.938 7.882 -21.650 1.00 1.43 C ATOM 224 CG TYR A 15 13.355 8.104 -22.130 1.00 75.02 C ATOM 225 CD1 TYR A 15 13.681 9.208 -22.908 1.00 73.11 C ATOM 226 CD2 TYR A 15 14.367 7.209 -21.805 1.00 50.41 C ATOM 227 CE1 TYR A 15 14.973 9.414 -23.350 1.00 23.42 C ATOM 228 CE2 TYR A 15 15.663 7.408 -22.241 1.00 73.02 C ATOM 229 CZ TYR A 15 15.961 8.511 -23.014 1.00 12.24 C ATOM 230 OH TYR A 15 17.250 8.713 -23.450 1.00 51.34 O ATOM 0 H TYR A 15 9.046 7.329 -22.039 1.00 74.50 H new ATOM 0 HA TYR A 15 11.111 8.927 -23.335 1.00 51.43 H new ATOM 0 HB2 TYR A 15 11.720 8.589 -20.850 1.00 1.43 H new ATOM 0 HB3 TYR A 15 11.861 6.882 -21.222 1.00 1.43 H new ATOM 0 HD1 TYR A 15 12.911 9.917 -23.172 1.00 73.11 H new ATOM 0 HD2 TYR A 15 14.137 6.343 -21.202 1.00 50.41 H new ATOM 0 HE1 TYR A 15 15.209 10.277 -23.955 1.00 23.42 H new ATOM 0 HE2 TYR A 15 16.438 6.704 -21.978 1.00 73.02 H new ATOM 0 HH TYR A 15 17.823 7.987 -23.126 1.00 51.34 H new ATOM 240 N GLN A 16 9.793 6.534 -24.309 1.00 43.42 N ATOM 241 CA GLN A 16 9.698 5.403 -25.224 1.00 54.23 C ATOM 242 C GLN A 16 10.361 5.725 -26.559 1.00 55.55 C ATOM 243 O GLN A 16 10.006 6.702 -27.219 1.00 1.13 O ATOM 244 CB GLN A 16 8.233 5.023 -25.447 1.00 72.03 C ATOM 245 CG GLN A 16 8.035 3.974 -26.530 1.00 15.14 C ATOM 246 CD GLN A 16 7.471 4.557 -27.811 1.00 32.44 C ATOM 247 OE1 GLN A 16 6.306 4.953 -27.866 1.00 62.44 O ATOM 248 NE2 GLN A 16 8.296 4.612 -28.849 1.00 42.44 N ATOM 0 H GLN A 16 8.929 7.065 -24.203 1.00 43.42 H new ATOM 0 HA GLN A 16 10.221 4.559 -24.774 1.00 54.23 H new ATOM 0 HB2 GLN A 16 7.816 4.650 -24.511 1.00 72.03 H new ATOM 0 HB3 GLN A 16 7.670 5.918 -25.712 1.00 72.03 H new ATOM 0 HG2 GLN A 16 8.990 3.493 -26.744 1.00 15.14 H new ATOM 0 HG3 GLN A 16 7.363 3.199 -26.161 1.00 15.14 H new ATOM 0 HE21 GLN A 16 9.253 4.272 -28.758 1.00 42.44 H new ATOM 0 HE22 GLN A 16 7.973 4.994 -29.738 1.00 42.44 H new ATOM 257 N GLU A 17 11.324 4.898 -26.951 1.00 45.01 N ATOM 258 CA GLU A 17 12.037 5.097 -28.207 1.00 63.15 C ATOM 259 C GLU A 17 11.894 3.877 -29.114 1.00 14.55 C ATOM 260 O GLU A 17 12.317 3.895 -30.269 1.00 63.34 O ATOM 261 CB GLU A 17 13.518 5.376 -27.941 1.00 11.12 C ATOM 262 CG GLU A 17 14.183 6.213 -29.020 1.00 44.40 C ATOM 263 CD GLU A 17 14.938 7.401 -28.455 1.00 15.33 C ATOM 264 OE1 GLU A 17 15.622 7.234 -27.424 1.00 14.54 O ATOM 265 OE2 GLU A 17 14.843 8.498 -29.045 1.00 3.25 O ATOM 0 H GLU A 17 11.629 4.084 -26.417 1.00 45.01 H new ATOM 0 HA GLU A 17 11.597 5.957 -28.711 1.00 63.15 H new ATOM 0 HB2 GLU A 17 13.616 5.888 -26.984 1.00 11.12 H new ATOM 0 HB3 GLU A 17 14.047 4.427 -27.851 1.00 11.12 H new ATOM 0 HG2 GLU A 17 14.871 5.587 -29.588 1.00 44.40 H new ATOM 0 HG3 GLU A 17 13.425 6.568 -29.718 1.00 44.40 H new ATOM 272 N LYS A 18 11.293 2.819 -28.580 1.00 62.01 N ATOM 273 CA LYS A 18 11.092 1.590 -29.338 1.00 53.04 C ATOM 274 C LYS A 18 12.428 0.958 -29.714 1.00 71.55 C ATOM 275 O LYS A 18 12.811 0.943 -30.884 1.00 42.21 O ATOM 276 CB LYS A 18 10.276 1.874 -30.602 1.00 22.12 C ATOM 277 CG LYS A 18 9.701 0.625 -31.248 1.00 1.31 C ATOM 278 CD LYS A 18 8.355 0.902 -31.896 1.00 12.33 C ATOM 279 CE LYS A 18 7.514 -0.361 -31.995 1.00 34.01 C ATOM 280 NZ LYS A 18 8.174 -1.403 -32.829 1.00 53.25 N ATOM 0 H LYS A 18 10.937 2.788 -27.625 1.00 62.01 H new ATOM 0 HA LYS A 18 10.543 0.890 -28.708 1.00 53.04 H new ATOM 0 HB2 LYS A 18 9.460 2.553 -30.353 1.00 22.12 H new ATOM 0 HB3 LYS A 18 10.909 2.388 -31.325 1.00 22.12 H new ATOM 0 HG2 LYS A 18 10.397 0.249 -31.998 1.00 1.31 H new ATOM 0 HG3 LYS A 18 9.590 -0.156 -30.496 1.00 1.31 H new ATOM 0 HD2 LYS A 18 7.819 1.653 -31.316 1.00 12.33 H new ATOM 0 HD3 LYS A 18 8.508 1.318 -32.892 1.00 12.33 H new ATOM 0 HE2 LYS A 18 7.334 -0.756 -30.995 1.00 34.01 H new ATOM 0 HE3 LYS A 18 6.541 -0.117 -32.422 1.00 34.01 H new ATOM 0 HZ1 LYS A 18 7.527 -2.207 -32.956 1.00 53.25 H new ATOM 0 HZ2 LYS A 18 8.415 -1.003 -33.758 1.00 53.25 H new ATOM 0 HZ3 LYS A 18 9.041 -1.728 -32.356 1.00 53.25 H new ATOM 294 N SER A 19 13.132 0.434 -28.716 1.00 12.33 N ATOM 295 CA SER A 19 14.426 -0.198 -28.942 1.00 3.31 C ATOM 296 C SER A 19 15.009 -0.726 -27.635 1.00 12.15 C ATOM 297 O SER A 19 14.627 -0.308 -26.541 1.00 41.43 O ATOM 298 CB SER A 19 15.398 0.796 -29.582 1.00 31.13 C ATOM 299 OG SER A 19 15.673 0.446 -30.927 1.00 55.32 O ATOM 0 H SER A 19 12.828 0.435 -27.742 1.00 12.33 H new ATOM 0 HA SER A 19 14.278 -1.039 -29.620 1.00 3.31 H new ATOM 0 HB2 SER A 19 14.975 1.800 -29.543 1.00 31.13 H new ATOM 0 HB3 SER A 19 16.327 0.820 -29.012 1.00 31.13 H new ATOM 0 HG SER A 19 14.843 0.468 -31.447 1.00 55.32 H new ATOM 305 N PRO A 20 15.956 -1.668 -27.748 1.00 64.40 N ATOM 306 CA PRO A 20 16.613 -2.275 -26.586 1.00 40.31 C ATOM 307 C PRO A 20 17.534 -1.297 -25.865 1.00 1.42 C ATOM 308 O PRO A 20 17.894 -1.508 -24.707 1.00 2.54 O ATOM 309 CB PRO A 20 17.423 -3.422 -27.195 1.00 70.00 C ATOM 310 CG PRO A 20 17.669 -3.006 -28.604 1.00 44.40 C ATOM 311 CD PRO A 20 16.460 -2.214 -29.019 1.00 62.35 C ATOM 0 HA PRO A 20 15.894 -2.596 -25.833 1.00 40.31 H new ATOM 0 HB2 PRO A 20 18.359 -3.574 -26.658 1.00 70.00 H new ATOM 0 HB3 PRO A 20 16.873 -4.362 -27.150 1.00 70.00 H new ATOM 0 HG2 PRO A 20 18.575 -2.405 -28.681 1.00 44.40 H new ATOM 0 HG3 PRO A 20 17.807 -3.874 -29.249 1.00 44.40 H new ATOM 0 HD2 PRO A 20 16.720 -1.422 -29.721 1.00 62.35 H new ATOM 0 HD3 PRO A 20 15.717 -2.843 -29.509 1.00 62.35 H new ATOM 319 N ARG A 21 17.911 -0.226 -26.557 1.00 24.44 N ATOM 320 CA ARG A 21 18.791 0.784 -25.982 1.00 23.24 C ATOM 321 C ARG A 21 18.018 1.710 -25.048 1.00 1.33 C ATOM 322 O ARG A 21 18.594 2.323 -24.150 1.00 4.31 O ATOM 323 CB ARG A 21 19.458 1.600 -27.090 1.00 44.30 C ATOM 324 CG ARG A 21 20.855 1.117 -27.446 1.00 74.14 C ATOM 325 CD ARG A 21 21.844 1.397 -26.326 1.00 41.42 C ATOM 326 NE ARG A 21 23.100 0.675 -26.512 1.00 12.15 N ATOM 327 CZ ARG A 21 24.044 1.050 -27.368 1.00 12.04 C ATOM 328 NH1 ARG A 21 23.875 2.134 -28.113 1.00 23.34 N ATOM 329 NH2 ARG A 21 25.160 0.341 -27.479 1.00 74.43 N ATOM 0 H ARG A 21 17.621 -0.036 -27.516 1.00 24.44 H new ATOM 0 HA ARG A 21 19.561 0.273 -25.404 1.00 23.24 H new ATOM 0 HB2 ARG A 21 18.832 1.565 -27.982 1.00 44.30 H new ATOM 0 HB3 ARG A 21 19.512 2.643 -26.779 1.00 44.30 H new ATOM 0 HG2 ARG A 21 20.830 0.047 -27.651 1.00 74.14 H new ATOM 0 HG3 ARG A 21 21.189 1.609 -28.359 1.00 74.14 H new ATOM 0 HD2 ARG A 21 22.045 2.467 -26.279 1.00 41.42 H new ATOM 0 HD3 ARG A 21 21.401 1.113 -25.371 1.00 41.42 H new ATOM 0 HE ARG A 21 23.261 -0.163 -25.954 1.00 12.15 H new ATOM 0 HH11 ARG A 21 23.019 2.682 -28.029 1.00 23.34 H new ATOM 0 HH12 ARG A 21 24.601 2.420 -28.770 1.00 23.34 H new ATOM 0 HH21 ARG A 21 25.294 -0.493 -26.907 1.00 74.43 H new ATOM 0 HH22 ARG A 21 25.884 0.630 -28.137 1.00 74.43 H new ATOM 343 N GLU A 22 16.710 1.807 -25.267 1.00 65.43 N ATOM 344 CA GLU A 22 15.859 2.659 -24.446 1.00 5.51 C ATOM 345 C GLU A 22 14.732 1.852 -23.810 1.00 33.21 C ATOM 346 O GLU A 22 14.679 0.629 -23.939 1.00 63.35 O ATOM 347 CB GLU A 22 15.276 3.797 -25.287 1.00 33.32 C ATOM 348 CG GLU A 22 15.729 5.177 -24.842 1.00 44.15 C ATOM 349 CD GLU A 22 17.182 5.451 -25.181 1.00 20.34 C ATOM 350 OE1 GLU A 22 17.495 5.595 -26.381 1.00 25.14 O ATOM 351 OE2 GLU A 22 18.005 5.521 -24.244 1.00 64.31 O ATOM 0 H GLU A 22 16.217 1.306 -26.006 1.00 65.43 H new ATOM 0 HA GLU A 22 16.472 3.082 -23.650 1.00 5.51 H new ATOM 0 HB2 GLU A 22 15.560 3.649 -26.329 1.00 33.32 H new ATOM 0 HB3 GLU A 22 14.188 3.749 -25.243 1.00 33.32 H new ATOM 0 HG2 GLU A 22 15.101 5.932 -25.315 1.00 44.15 H new ATOM 0 HG3 GLU A 22 15.587 5.273 -23.766 1.00 44.15 H new ATOM 358 N VAL A 23 13.831 2.545 -23.121 1.00 55.33 N ATOM 359 CA VAL A 23 12.703 1.894 -22.465 1.00 41.11 C ATOM 360 C VAL A 23 11.393 2.603 -22.792 1.00 22.55 C ATOM 361 O VAL A 23 11.359 3.822 -22.961 1.00 33.11 O ATOM 362 CB VAL A 23 12.888 1.858 -20.936 1.00 53.44 C ATOM 363 CG1 VAL A 23 12.954 3.270 -20.373 1.00 71.13 C ATOM 364 CG2 VAL A 23 11.765 1.067 -20.283 1.00 12.01 C ATOM 0 H VAL A 23 13.860 3.558 -23.003 1.00 55.33 H new ATOM 0 HA VAL A 23 12.663 0.872 -22.843 1.00 41.11 H new ATOM 0 HB VAL A 23 13.831 1.359 -20.713 1.00 53.44 H new ATOM 0 HG11 VAL A 23 13.085 3.225 -19.292 1.00 71.13 H new ATOM 0 HG12 VAL A 23 13.796 3.800 -20.819 1.00 71.13 H new ATOM 0 HG13 VAL A 23 12.029 3.798 -20.605 1.00 71.13 H new ATOM 0 HG21 VAL A 23 11.911 1.052 -19.203 1.00 12.01 H new ATOM 0 HG22 VAL A 23 10.808 1.536 -20.513 1.00 12.01 H new ATOM 0 HG23 VAL A 23 11.770 0.046 -20.664 1.00 12.01 H new ATOM 374 N THR A 24 10.315 1.830 -22.878 1.00 54.22 N ATOM 375 CA THR A 24 9.001 2.383 -23.185 1.00 24.00 C ATOM 376 C THR A 24 8.256 2.767 -21.912 1.00 54.12 C ATOM 377 O THR A 24 7.750 1.905 -21.194 1.00 5.13 O ATOM 378 CB THR A 24 8.145 1.385 -23.987 1.00 21.21 C ATOM 379 OG1 THR A 24 7.870 0.226 -23.192 1.00 64.10 O ATOM 380 CG2 THR A 24 8.853 0.971 -25.268 1.00 5.20 C ATOM 0 H THR A 24 10.326 0.820 -22.739 1.00 54.22 H new ATOM 0 HA THR A 24 9.166 3.275 -23.789 1.00 24.00 H new ATOM 0 HB THR A 24 7.208 1.875 -24.251 1.00 21.21 H new ATOM 0 HG1 THR A 24 7.657 0.501 -22.276 1.00 64.10 H new ATOM 0 HG21 THR A 24 8.229 0.266 -25.817 1.00 5.20 H new ATOM 0 HG22 THR A 24 9.034 1.852 -25.884 1.00 5.20 H new ATOM 0 HG23 THR A 24 9.804 0.498 -25.022 1.00 5.20 H new ATOM 388 N MET A 25 8.190 4.066 -21.640 1.00 11.14 N ATOM 389 CA MET A 25 7.503 4.564 -20.453 1.00 62.22 C ATOM 390 C MET A 25 6.622 5.760 -20.797 1.00 54.31 C ATOM 391 O MET A 25 6.934 6.535 -21.702 1.00 34.11 O ATOM 392 CB MET A 25 8.518 4.956 -19.377 1.00 73.42 C ATOM 393 CG MET A 25 9.239 3.768 -18.761 1.00 20.01 C ATOM 394 SD MET A 25 8.136 2.700 -17.815 1.00 63.13 S ATOM 395 CE MET A 25 9.064 1.168 -17.818 1.00 61.22 C ATOM 0 H MET A 25 8.603 4.793 -22.224 1.00 11.14 H new ATOM 0 HA MET A 25 6.868 3.766 -20.069 1.00 62.22 H new ATOM 0 HB2 MET A 25 9.254 5.632 -19.812 1.00 73.42 H new ATOM 0 HB3 MET A 25 8.005 5.508 -18.589 1.00 73.42 H new ATOM 0 HG2 MET A 25 9.713 3.186 -19.551 1.00 20.01 H new ATOM 0 HG3 MET A 25 10.035 4.129 -18.110 1.00 20.01 H new ATOM 0 HE1 MET A 25 8.510 0.406 -17.269 1.00 61.22 H new ATOM 0 HE2 MET A 25 9.216 0.837 -18.845 1.00 61.22 H new ATOM 0 HE3 MET A 25 10.031 1.327 -17.341 1.00 61.22 H new ATOM 405 N LYS A 26 5.519 5.905 -20.070 1.00 50.51 N ATOM 406 CA LYS A 26 4.592 7.008 -20.297 1.00 21.11 C ATOM 407 C LYS A 26 4.390 7.820 -19.022 1.00 35.45 C ATOM 408 O LYS A 26 4.028 7.276 -17.978 1.00 33.22 O ATOM 409 CB LYS A 26 3.246 6.476 -20.794 1.00 63.44 C ATOM 410 CG LYS A 26 2.849 7.008 -22.160 1.00 52.22 C ATOM 411 CD LYS A 26 1.365 7.330 -22.223 1.00 2.51 C ATOM 412 CE LYS A 26 1.043 8.250 -23.391 1.00 64.11 C ATOM 413 NZ LYS A 26 -0.303 7.970 -23.963 1.00 0.25 N ATOM 0 H LYS A 26 5.245 5.272 -19.318 1.00 50.51 H new ATOM 0 HA LYS A 26 5.021 7.660 -21.058 1.00 21.11 H new ATOM 0 HB2 LYS A 26 3.288 5.388 -20.835 1.00 63.44 H new ATOM 0 HB3 LYS A 26 2.472 6.738 -20.072 1.00 63.44 H new ATOM 0 HG2 LYS A 26 3.427 7.905 -22.384 1.00 52.22 H new ATOM 0 HG3 LYS A 26 3.095 6.271 -22.924 1.00 52.22 H new ATOM 0 HD2 LYS A 26 0.795 6.406 -22.319 1.00 2.51 H new ATOM 0 HD3 LYS A 26 1.054 7.801 -21.291 1.00 2.51 H new ATOM 0 HE2 LYS A 26 1.088 9.287 -23.059 1.00 64.11 H new ATOM 0 HE3 LYS A 26 1.799 8.130 -24.167 1.00 64.11 H new ATOM 0 HZ1 LYS A 26 -0.485 8.618 -24.756 1.00 0.25 H new ATOM 0 HZ2 LYS A 26 -0.338 6.988 -24.303 1.00 0.25 H new ATOM 0 HZ3 LYS A 26 -1.027 8.109 -23.230 1.00 0.25 H new ATOM 427 N LYS A 27 4.624 9.124 -19.113 1.00 14.44 N ATOM 428 CA LYS A 27 4.464 10.013 -17.967 1.00 65.43 C ATOM 429 C LYS A 27 3.118 9.786 -17.286 1.00 45.33 C ATOM 430 O LYS A 27 2.089 9.665 -17.949 1.00 22.20 O ATOM 431 CB LYS A 27 4.586 11.473 -18.408 1.00 0.13 C ATOM 432 CG LYS A 27 3.346 12.003 -19.108 1.00 23.53 C ATOM 433 CD LYS A 27 3.592 13.373 -19.715 1.00 53.53 C ATOM 434 CE LYS A 27 2.627 13.658 -20.856 1.00 41.14 C ATOM 435 NZ LYS A 27 2.761 15.053 -21.361 1.00 71.30 N ATOM 0 H LYS A 27 4.925 9.590 -19.969 1.00 14.44 H new ATOM 0 HA LYS A 27 5.255 9.789 -17.251 1.00 65.43 H new ATOM 0 HB2 LYS A 27 4.792 12.092 -17.535 1.00 0.13 H new ATOM 0 HB3 LYS A 27 5.441 11.571 -19.077 1.00 0.13 H new ATOM 0 HG2 LYS A 27 3.043 11.307 -19.890 1.00 23.53 H new ATOM 0 HG3 LYS A 27 2.522 12.062 -18.396 1.00 23.53 H new ATOM 0 HD2 LYS A 27 3.484 14.138 -18.946 1.00 53.53 H new ATOM 0 HD3 LYS A 27 4.617 13.431 -20.081 1.00 53.53 H new ATOM 0 HE2 LYS A 27 2.811 12.958 -21.671 1.00 41.14 H new ATOM 0 HE3 LYS A 27 1.605 13.491 -20.517 1.00 41.14 H new ATOM 0 HZ1 LYS A 27 2.087 15.207 -22.138 1.00 71.30 H new ATOM 0 HZ2 LYS A 27 2.561 15.722 -20.590 1.00 71.30 H new ATOM 0 HZ3 LYS A 27 3.729 15.205 -21.708 1.00 71.30 H new ATOM 449 N GLY A 28 3.134 9.732 -15.958 1.00 0.12 N ATOM 450 CA GLY A 28 1.908 9.522 -15.210 1.00 4.05 C ATOM 451 C GLY A 28 1.639 8.055 -14.939 1.00 12.25 C ATOM 452 O GLY A 28 0.859 7.714 -14.049 1.00 2.54 O ATOM 0 H GLY A 28 3.973 9.830 -15.387 1.00 0.12 H new ATOM 0 HA2 GLY A 28 1.967 10.058 -14.263 1.00 4.05 H new ATOM 0 HA3 GLY A 28 1.071 9.946 -15.764 1.00 4.05 H new ATOM 456 N ASP A 29 2.283 7.185 -15.708 1.00 61.01 N ATOM 457 CA ASP A 29 2.108 5.746 -15.547 1.00 44.11 C ATOM 458 C ASP A 29 2.695 5.272 -14.221 1.00 44.51 C ATOM 459 O ASP A 29 3.516 5.960 -13.614 1.00 3.43 O ATOM 460 CB ASP A 29 2.767 4.998 -16.707 1.00 63.10 C ATOM 461 CG ASP A 29 2.072 5.253 -18.030 1.00 3.40 C ATOM 462 OD1 ASP A 29 1.348 6.266 -18.134 1.00 61.34 O ATOM 463 OD2 ASP A 29 2.253 4.442 -18.961 1.00 63.42 O ATOM 0 H ASP A 29 2.931 7.451 -16.449 1.00 61.01 H new ATOM 0 HA ASP A 29 1.039 5.532 -15.547 1.00 44.11 H new ATOM 0 HB2 ASP A 29 3.811 5.301 -16.784 1.00 63.10 H new ATOM 0 HB3 ASP A 29 2.760 3.929 -16.497 1.00 63.10 H new ATOM 468 N ILE A 30 2.268 4.095 -13.778 1.00 23.10 N ATOM 469 CA ILE A 30 2.752 3.530 -12.524 1.00 53.02 C ATOM 470 C ILE A 30 3.647 2.321 -12.775 1.00 12.21 C ATOM 471 O ILE A 30 3.289 1.415 -13.529 1.00 13.32 O ATOM 472 CB ILE A 30 1.586 3.111 -11.609 1.00 60.42 C ATOM 473 CG1 ILE A 30 0.685 2.102 -12.325 1.00 30.24 C ATOM 474 CG2 ILE A 30 0.786 4.331 -11.178 1.00 21.45 C ATOM 475 CD1 ILE A 30 0.624 0.754 -11.640 1.00 50.30 C ATOM 0 H ILE A 30 1.588 3.514 -14.268 1.00 23.10 H new ATOM 0 HA ILE A 30 3.330 4.310 -12.028 1.00 53.02 H new ATOM 0 HB ILE A 30 1.995 2.636 -10.717 1.00 60.42 H new ATOM 0 HG12 ILE A 30 -0.323 2.512 -12.394 1.00 30.24 H new ATOM 0 HG13 ILE A 30 1.044 1.966 -13.345 1.00 30.24 H new ATOM 0 HG21 ILE A 30 -0.034 4.018 -10.532 1.00 21.45 H new ATOM 0 HG22 ILE A 30 1.435 5.018 -10.634 1.00 21.45 H new ATOM 0 HG23 ILE A 30 0.384 4.832 -12.059 1.00 21.45 H new ATOM 0 HD11 ILE A 30 -0.032 0.090 -12.202 1.00 50.30 H new ATOM 0 HD12 ILE A 30 1.624 0.323 -11.595 1.00 50.30 H new ATOM 0 HD13 ILE A 30 0.236 0.877 -10.629 1.00 50.30 H new ATOM 487 N LEU A 31 4.812 2.312 -12.137 1.00 50.50 N ATOM 488 CA LEU A 31 5.759 1.213 -12.289 1.00 1.43 C ATOM 489 C LEU A 31 6.039 0.546 -10.946 1.00 1.52 C ATOM 490 O LEU A 31 6.016 1.197 -9.900 1.00 61.41 O ATOM 491 CB LEU A 31 7.066 1.721 -12.901 1.00 73.12 C ATOM 492 CG LEU A 31 6.929 2.801 -13.975 1.00 34.10 C ATOM 493 CD1 LEU A 31 8.299 3.245 -14.464 1.00 33.52 C ATOM 494 CD2 LEU A 31 6.084 2.295 -15.136 1.00 23.05 C ATOM 0 H LEU A 31 5.124 3.053 -11.509 1.00 50.50 H new ATOM 0 HA LEU A 31 5.316 0.474 -12.956 1.00 1.43 H new ATOM 0 HB2 LEU A 31 7.692 2.112 -12.099 1.00 73.12 H new ATOM 0 HB3 LEU A 31 7.596 0.872 -13.333 1.00 73.12 H new ATOM 0 HG LEU A 31 6.427 3.662 -13.535 1.00 34.10 H new ATOM 0 HD11 LEU A 31 8.181 4.014 -15.228 1.00 33.52 H new ATOM 0 HD12 LEU A 31 8.870 3.649 -13.628 1.00 33.52 H new ATOM 0 HD13 LEU A 31 8.829 2.391 -14.887 1.00 33.52 H new ATOM 0 HD21 LEU A 31 5.997 3.077 -15.891 1.00 23.05 H new ATOM 0 HD22 LEU A 31 6.558 1.417 -15.576 1.00 23.05 H new ATOM 0 HD23 LEU A 31 5.091 2.028 -14.774 1.00 23.05 H new ATOM 506 N THR A 32 6.306 -0.756 -10.981 1.00 54.54 N ATOM 507 CA THR A 32 6.591 -1.511 -9.768 1.00 44.31 C ATOM 508 C THR A 32 8.069 -1.874 -9.682 1.00 4.54 C ATOM 509 O THR A 32 8.724 -2.100 -10.700 1.00 23.21 O ATOM 510 CB THR A 32 5.753 -2.801 -9.699 1.00 12.11 C ATOM 511 OG1 THR A 32 4.699 -2.753 -10.667 1.00 13.31 O ATOM 512 CG2 THR A 32 5.164 -2.990 -8.309 1.00 53.51 C ATOM 0 H THR A 32 6.331 -1.309 -11.837 1.00 54.54 H new ATOM 0 HA THR A 32 6.327 -0.870 -8.927 1.00 44.31 H new ATOM 0 HB THR A 32 6.407 -3.645 -9.917 1.00 12.11 H new ATOM 0 HG1 THR A 32 4.172 -3.578 -10.618 1.00 13.31 H new ATOM 0 HG21 THR A 32 4.576 -3.908 -8.285 1.00 53.51 H new ATOM 0 HG22 THR A 32 5.970 -3.056 -7.578 1.00 53.51 H new ATOM 0 HG23 THR A 32 4.523 -2.142 -8.067 1.00 53.51 H new ATOM 520 N LEU A 33 8.590 -1.928 -8.461 1.00 12.34 N ATOM 521 CA LEU A 33 9.992 -2.264 -8.241 1.00 22.32 C ATOM 522 C LEU A 33 10.204 -3.774 -8.288 1.00 35.24 C ATOM 523 O LEU A 33 9.859 -4.490 -7.346 1.00 0.30 O ATOM 524 CB LEU A 33 10.464 -1.713 -6.894 1.00 64.33 C ATOM 525 CG LEU A 33 11.825 -2.211 -6.405 1.00 71.31 C ATOM 526 CD1 LEU A 33 12.728 -1.039 -6.054 1.00 51.05 C ATOM 527 CD2 LEU A 33 11.656 -3.134 -5.207 1.00 13.44 C ATOM 0 H LEU A 33 8.062 -1.743 -7.608 1.00 12.34 H new ATOM 0 HA LEU A 33 10.579 -1.808 -9.039 1.00 22.32 H new ATOM 0 HB2 LEU A 33 10.500 -0.626 -6.961 1.00 64.33 H new ATOM 0 HB3 LEU A 33 9.716 -1.961 -6.140 1.00 64.33 H new ATOM 0 HG LEU A 33 12.294 -2.776 -7.210 1.00 71.31 H new ATOM 0 HD11 LEU A 33 13.692 -1.413 -5.708 1.00 51.05 H new ATOM 0 HD12 LEU A 33 12.876 -0.417 -6.937 1.00 51.05 H new ATOM 0 HD13 LEU A 33 12.265 -0.446 -5.265 1.00 51.05 H new ATOM 0 HD21 LEU A 33 12.634 -3.479 -4.872 1.00 13.44 H new ATOM 0 HD22 LEU A 33 11.165 -2.593 -4.398 1.00 13.44 H new ATOM 0 HD23 LEU A 33 11.047 -3.992 -5.492 1.00 13.44 H new ATOM 539 N LEU A 34 10.774 -4.253 -9.388 1.00 14.40 N ATOM 540 CA LEU A 34 11.034 -5.678 -9.557 1.00 72.11 C ATOM 541 C LEU A 34 12.344 -6.076 -8.886 1.00 4.12 C ATOM 542 O LEU A 34 12.378 -6.983 -8.056 1.00 35.31 O ATOM 543 CB LEU A 34 11.080 -6.035 -11.044 1.00 20.22 C ATOM 544 CG LEU A 34 10.530 -7.411 -11.421 1.00 30.20 C ATOM 545 CD1 LEU A 34 11.235 -8.503 -10.631 1.00 14.25 C ATOM 546 CD2 LEU A 34 9.027 -7.467 -11.188 1.00 2.00 C ATOM 0 H LEU A 34 11.065 -3.675 -10.177 1.00 14.40 H new ATOM 0 HA LEU A 34 10.222 -6.229 -9.082 1.00 72.11 H new ATOM 0 HB2 LEU A 34 10.522 -5.279 -11.596 1.00 20.22 H new ATOM 0 HB3 LEU A 34 12.115 -5.975 -11.380 1.00 20.22 H new ATOM 0 HG LEU A 34 10.720 -7.578 -12.481 1.00 30.20 H new ATOM 0 HD11 LEU A 34 10.830 -9.475 -10.913 1.00 14.25 H new ATOM 0 HD12 LEU A 34 12.303 -8.478 -10.848 1.00 14.25 H new ATOM 0 HD13 LEU A 34 11.078 -8.340 -9.565 1.00 14.25 H new ATOM 0 HD21 LEU A 34 8.653 -8.454 -11.462 1.00 2.00 H new ATOM 0 HD22 LEU A 34 8.815 -7.277 -10.136 1.00 2.00 H new ATOM 0 HD23 LEU A 34 8.536 -6.710 -11.799 1.00 2.00 H new ATOM 558 N ASN A 35 13.422 -5.389 -9.250 1.00 2.41 N ATOM 559 CA ASN A 35 14.736 -5.669 -8.682 1.00 34.15 C ATOM 560 C ASN A 35 15.783 -4.705 -9.230 1.00 11.53 C ATOM 561 O ASN A 35 15.682 -4.242 -10.366 1.00 74.41 O ATOM 562 CB ASN A 35 15.147 -7.112 -8.983 1.00 2.41 C ATOM 563 CG ASN A 35 15.816 -7.782 -7.798 1.00 52.41 C ATOM 564 OD1 ASN A 35 17.039 -7.756 -7.665 1.00 65.14 O ATOM 565 ND2 ASN A 35 15.013 -8.386 -6.930 1.00 21.11 N ATOM 0 H ASN A 35 13.412 -4.634 -9.936 1.00 2.41 H new ATOM 0 HA ASN A 35 14.674 -5.533 -7.602 1.00 34.15 H new ATOM 0 HB2 ASN A 35 14.266 -7.685 -9.271 1.00 2.41 H new ATOM 0 HB3 ASN A 35 15.827 -7.123 -9.835 1.00 2.41 H new ATOM 0 HD21 ASN A 35 15.405 -8.854 -6.113 1.00 21.11 H new ATOM 0 HD22 ASN A 35 14.004 -8.382 -7.081 1.00 21.11 H new ATOM 572 N SER A 36 16.789 -4.406 -8.414 1.00 12.32 N ATOM 573 CA SER A 36 17.854 -3.494 -8.815 1.00 55.33 C ATOM 574 C SER A 36 18.886 -3.341 -7.703 1.00 23.13 C ATOM 575 O SER A 36 20.049 -3.713 -7.863 1.00 44.30 O ATOM 576 CB SER A 36 17.272 -2.126 -9.178 1.00 44.13 C ATOM 577 OG SER A 36 17.707 -1.712 -10.462 1.00 12.40 O ATOM 0 H SER A 36 16.889 -4.782 -7.471 1.00 12.32 H new ATOM 0 HA SER A 36 18.349 -3.915 -9.690 1.00 55.33 H new ATOM 0 HB2 SER A 36 16.183 -2.173 -9.157 1.00 44.13 H new ATOM 0 HB3 SER A 36 17.574 -1.390 -8.433 1.00 44.13 H new ATOM 0 HG SER A 36 18.454 -1.084 -10.368 1.00 12.40 H new ATOM 583 N THR A 37 18.453 -2.791 -6.573 1.00 12.13 N ATOM 584 CA THR A 37 19.338 -2.587 -5.433 1.00 60.11 C ATOM 585 C THR A 37 20.531 -1.717 -5.812 1.00 61.43 C ATOM 586 O THR A 37 21.589 -1.793 -5.189 1.00 40.20 O ATOM 587 CB THR A 37 19.851 -3.927 -4.874 1.00 24.42 C ATOM 588 OG1 THR A 37 18.970 -4.989 -5.259 1.00 4.41 O ATOM 589 CG2 THR A 37 19.958 -3.875 -3.357 1.00 65.53 C ATOM 0 H THR A 37 17.494 -2.479 -6.423 1.00 12.13 H new ATOM 0 HA THR A 37 18.753 -2.081 -4.665 1.00 60.11 H new ATOM 0 HB THR A 37 20.843 -4.111 -5.287 1.00 24.42 H new ATOM 0 HG1 THR A 37 19.305 -5.838 -4.901 1.00 4.41 H new ATOM 0 HG21 THR A 37 20.322 -4.833 -2.985 1.00 65.53 H new ATOM 0 HG22 THR A 37 20.652 -3.086 -3.068 1.00 65.53 H new ATOM 0 HG23 THR A 37 18.976 -3.669 -2.930 1.00 65.53 H new ATOM 597 N ASN A 38 20.353 -0.891 -6.838 1.00 60.20 N ATOM 598 CA ASN A 38 21.416 -0.006 -7.300 1.00 61.21 C ATOM 599 C ASN A 38 20.887 1.406 -7.529 1.00 51.35 C ATOM 600 O ASN A 38 19.819 1.594 -8.113 1.00 44.34 O ATOM 601 CB ASN A 38 22.034 -0.547 -8.591 1.00 74.42 C ATOM 602 CG ASN A 38 23.544 -0.656 -8.508 1.00 71.05 C ATOM 603 OD1 ASN A 38 24.268 0.107 -9.148 1.00 62.32 O ATOM 604 ND2 ASN A 38 24.026 -1.608 -7.718 1.00 0.22 N ATOM 0 H ASN A 38 19.483 -0.816 -7.365 1.00 60.20 H new ATOM 0 HA ASN A 38 22.183 0.034 -6.527 1.00 61.21 H new ATOM 0 HB2 ASN A 38 21.613 -1.529 -8.808 1.00 74.42 H new ATOM 0 HB3 ASN A 38 21.765 0.106 -9.421 1.00 74.42 H new ATOM 0 HD21 ASN A 38 25.034 -1.730 -7.623 1.00 0.22 H new ATOM 0 HD22 ASN A 38 23.388 -2.218 -7.206 1.00 0.22 H new ATOM 611 N LYS A 39 21.641 2.397 -7.066 1.00 42.23 N ATOM 612 CA LYS A 39 21.251 3.793 -7.222 1.00 11.54 C ATOM 613 C LYS A 39 21.671 4.327 -8.587 1.00 41.23 C ATOM 614 O LYS A 39 21.045 5.240 -9.127 1.00 63.30 O ATOM 615 CB LYS A 39 21.876 4.645 -6.115 1.00 3.42 C ATOM 616 CG LYS A 39 23.383 4.793 -6.239 1.00 11.21 C ATOM 617 CD LYS A 39 23.961 5.595 -5.085 1.00 44.22 C ATOM 618 CE LYS A 39 25.410 5.219 -4.816 1.00 22.52 C ATOM 619 NZ LYS A 39 26.044 6.128 -3.821 1.00 32.41 N ATOM 0 H LYS A 39 22.527 2.259 -6.579 1.00 42.23 H new ATOM 0 HA LYS A 39 20.165 3.851 -7.148 1.00 11.54 H new ATOM 0 HB2 LYS A 39 21.420 5.635 -6.128 1.00 3.42 H new ATOM 0 HB3 LYS A 39 21.641 4.199 -5.148 1.00 3.42 H new ATOM 0 HG2 LYS A 39 23.846 3.806 -6.265 1.00 11.21 H new ATOM 0 HG3 LYS A 39 23.625 5.284 -7.182 1.00 11.21 H new ATOM 0 HD2 LYS A 39 23.896 6.659 -5.312 1.00 44.22 H new ATOM 0 HD3 LYS A 39 23.367 5.423 -4.187 1.00 44.22 H new ATOM 0 HE2 LYS A 39 25.457 4.193 -4.452 1.00 22.52 H new ATOM 0 HE3 LYS A 39 25.973 5.252 -5.749 1.00 22.52 H new ATOM 0 HZ1 LYS A 39 27.031 5.838 -3.665 1.00 32.41 H new ATOM 0 HZ2 LYS A 39 26.022 7.104 -4.179 1.00 32.41 H new ATOM 0 HZ3 LYS A 39 25.522 6.077 -2.923 1.00 32.41 H new ATOM 633 N ASP A 40 22.733 3.752 -9.141 1.00 73.11 N ATOM 634 CA ASP A 40 23.235 4.168 -10.445 1.00 52.24 C ATOM 635 C ASP A 40 22.409 3.549 -11.569 1.00 15.35 C ATOM 636 O ASP A 40 22.346 4.087 -12.674 1.00 74.53 O ATOM 637 CB ASP A 40 24.704 3.774 -10.600 1.00 24.34 C ATOM 638 CG ASP A 40 25.633 4.971 -10.558 1.00 52.53 C ATOM 639 OD1 ASP A 40 25.953 5.437 -9.444 1.00 74.41 O ATOM 640 OD2 ASP A 40 26.040 5.443 -11.640 1.00 44.31 O ATOM 0 H ASP A 40 23.263 2.996 -8.707 1.00 73.11 H new ATOM 0 HA ASP A 40 23.149 5.253 -10.510 1.00 52.24 H new ATOM 0 HB2 ASP A 40 24.976 3.079 -9.806 1.00 24.34 H new ATOM 0 HB3 ASP A 40 24.838 3.247 -11.545 1.00 24.34 H new ATOM 645 N TRP A 41 21.778 2.417 -11.277 1.00 41.42 N ATOM 646 CA TRP A 41 20.957 1.725 -12.263 1.00 75.34 C ATOM 647 C TRP A 41 19.675 1.196 -11.629 1.00 73.13 C ATOM 648 O TRP A 41 19.717 0.462 -10.642 1.00 22.01 O ATOM 649 CB TRP A 41 21.742 0.573 -12.893 1.00 34.21 C ATOM 650 CG TRP A 41 21.996 0.758 -14.358 1.00 44.51 C ATOM 651 CD1 TRP A 41 21.159 0.425 -15.384 1.00 64.34 C ATOM 652 CD2 TRP A 41 23.168 1.320 -14.960 1.00 20.12 C ATOM 653 NE1 TRP A 41 21.740 0.745 -16.588 1.00 22.22 N ATOM 654 CE2 TRP A 41 22.972 1.296 -16.355 1.00 3.14 C ATOM 655 CE3 TRP A 41 24.362 1.842 -14.456 1.00 43.22 C ATOM 656 CZ2 TRP A 41 23.927 1.773 -17.248 1.00 43.52 C ATOM 657 CZ3 TRP A 41 25.309 2.315 -15.344 1.00 43.35 C ATOM 658 CH2 TRP A 41 25.087 2.279 -16.728 1.00 4.24 C ATOM 0 H TRP A 41 21.819 1.960 -10.366 1.00 41.42 H new ATOM 0 HA TRP A 41 20.688 2.440 -13.041 1.00 75.34 H new ATOM 0 HB2 TRP A 41 22.696 0.468 -12.377 1.00 34.21 H new ATOM 0 HB3 TRP A 41 21.193 -0.357 -12.741 1.00 34.21 H new ATOM 0 HD1 TRP A 41 20.184 -0.024 -15.267 1.00 64.34 H new ATOM 0 HE1 TRP A 41 21.321 0.596 -17.506 1.00 22.22 H new ATOM 0 HE3 TRP A 41 24.541 1.875 -13.392 1.00 43.22 H new ATOM 0 HZ2 TRP A 41 23.758 1.745 -18.314 1.00 43.52 H new ATOM 0 HZ3 TRP A 41 26.236 2.719 -14.966 1.00 43.35 H new ATOM 0 HH2 TRP A 41 25.846 2.658 -17.396 1.00 4.24 H new ATOM 669 N TRP A 42 18.538 1.573 -12.202 1.00 75.22 N ATOM 670 CA TRP A 42 17.243 1.135 -11.692 1.00 1.33 C ATOM 671 C TRP A 42 16.518 0.269 -12.716 1.00 44.31 C ATOM 672 O TRP A 42 16.581 0.528 -13.918 1.00 64.53 O ATOM 673 CB TRP A 42 16.381 2.345 -11.327 1.00 33.44 C ATOM 674 CG TRP A 42 16.140 2.480 -9.853 1.00 64.24 C ATOM 675 CD1 TRP A 42 17.054 2.836 -8.903 1.00 44.33 C ATOM 676 CD2 TRP A 42 14.906 2.258 -9.163 1.00 1.54 C ATOM 677 NE1 TRP A 42 16.462 2.850 -7.663 1.00 65.13 N ATOM 678 CE2 TRP A 42 15.145 2.500 -7.795 1.00 72.04 C ATOM 679 CE3 TRP A 42 13.622 1.882 -9.566 1.00 22.12 C ATOM 680 CZ2 TRP A 42 14.147 2.375 -6.833 1.00 12.34 C ATOM 681 CZ3 TRP A 42 12.633 1.758 -8.609 1.00 10.31 C ATOM 682 CH2 TRP A 42 12.899 2.005 -7.255 1.00 41.15 C ATOM 0 H TRP A 42 18.486 2.181 -13.020 1.00 75.22 H new ATOM 0 HA TRP A 42 17.416 0.537 -10.797 1.00 1.33 H new ATOM 0 HB2 TRP A 42 16.865 3.250 -11.693 1.00 33.44 H new ATOM 0 HB3 TRP A 42 15.422 2.267 -11.839 1.00 33.44 H new ATOM 0 HD1 TRP A 42 18.090 3.072 -9.098 1.00 44.33 H new ATOM 0 HE1 TRP A 42 16.928 3.083 -6.786 1.00 65.13 H new ATOM 0 HE3 TRP A 42 13.406 1.692 -10.607 1.00 22.12 H new ATOM 0 HZ2 TRP A 42 14.351 2.564 -5.789 1.00 12.34 H new ATOM 0 HZ3 TRP A 42 11.638 1.466 -8.909 1.00 10.31 H new ATOM 0 HH2 TRP A 42 12.104 1.901 -6.531 1.00 41.15 H new ATOM 693 N LYS A 43 15.830 -0.760 -12.233 1.00 50.45 N ATOM 694 CA LYS A 43 15.091 -1.664 -13.107 1.00 3.21 C ATOM 695 C LYS A 43 13.699 -1.942 -12.550 1.00 12.41 C ATOM 696 O LYS A 43 13.521 -2.091 -11.341 1.00 2.42 O ATOM 697 CB LYS A 43 15.856 -2.979 -13.278 1.00 14.43 C ATOM 698 CG LYS A 43 16.889 -2.941 -14.390 1.00 23.22 C ATOM 699 CD LYS A 43 18.194 -3.590 -13.960 1.00 64.12 C ATOM 700 CE LYS A 43 18.109 -5.107 -14.021 1.00 70.51 C ATOM 701 NZ LYS A 43 17.877 -5.704 -12.677 1.00 23.53 N ATOM 0 H LYS A 43 15.769 -0.989 -11.241 1.00 50.45 H new ATOM 0 HA LYS A 43 14.984 -1.183 -14.079 1.00 3.21 H new ATOM 0 HB2 LYS A 43 16.353 -3.225 -12.340 1.00 14.43 H new ATOM 0 HB3 LYS A 43 15.145 -3.780 -13.481 1.00 14.43 H new ATOM 0 HG2 LYS A 43 16.498 -3.454 -15.269 1.00 23.22 H new ATOM 0 HG3 LYS A 43 17.074 -1.907 -14.681 1.00 23.22 H new ATOM 0 HD2 LYS A 43 19.003 -3.244 -14.603 1.00 64.12 H new ATOM 0 HD3 LYS A 43 18.439 -3.279 -12.944 1.00 64.12 H new ATOM 0 HE2 LYS A 43 17.301 -5.399 -14.692 1.00 70.51 H new ATOM 0 HE3 LYS A 43 19.032 -5.506 -14.441 1.00 70.51 H new ATOM 0 HZ1 LYS A 43 17.825 -6.739 -12.761 1.00 23.53 H new ATOM 0 HZ2 LYS A 43 18.660 -5.447 -12.043 1.00 23.53 H new ATOM 0 HZ3 LYS A 43 16.983 -5.343 -12.287 1.00 23.53 H new ATOM 715 N VAL A 44 12.714 -2.012 -13.440 1.00 15.54 N ATOM 716 CA VAL A 44 11.337 -2.274 -13.037 1.00 21.31 C ATOM 717 C VAL A 44 10.624 -3.153 -14.059 1.00 12.35 C ATOM 718 O VAL A 44 11.125 -3.371 -15.161 1.00 52.51 O ATOM 719 CB VAL A 44 10.545 -0.966 -12.859 1.00 53.51 C ATOM 720 CG1 VAL A 44 10.982 -0.244 -11.593 1.00 73.32 C ATOM 721 CG2 VAL A 44 10.714 -0.071 -14.078 1.00 2.12 C ATOM 0 H VAL A 44 12.844 -1.891 -14.444 1.00 15.54 H new ATOM 0 HA VAL A 44 11.381 -2.795 -12.081 1.00 21.31 H new ATOM 0 HB VAL A 44 9.488 -1.213 -12.761 1.00 53.51 H new ATOM 0 HG11 VAL A 44 10.411 0.678 -11.484 1.00 73.32 H new ATOM 0 HG12 VAL A 44 10.804 -0.885 -10.729 1.00 73.32 H new ATOM 0 HG13 VAL A 44 12.044 -0.008 -11.657 1.00 73.32 H new ATOM 0 HG21 VAL A 44 10.147 0.849 -13.935 1.00 2.12 H new ATOM 0 HG22 VAL A 44 11.769 0.169 -14.210 1.00 2.12 H new ATOM 0 HG23 VAL A 44 10.347 -0.589 -14.964 1.00 2.12 H new ATOM 731 N GLU A 45 9.451 -3.654 -13.684 1.00 30.13 N ATOM 732 CA GLU A 45 8.669 -4.510 -14.568 1.00 52.54 C ATOM 733 C GLU A 45 7.272 -3.934 -14.787 1.00 24.22 C ATOM 734 O GLU A 45 6.592 -3.549 -13.836 1.00 51.42 O ATOM 735 CB GLU A 45 8.566 -5.922 -13.989 1.00 15.25 C ATOM 736 CG GLU A 45 7.851 -6.904 -14.902 1.00 4.12 C ATOM 737 CD GLU A 45 8.761 -8.016 -15.388 1.00 12.40 C ATOM 738 OE1 GLU A 45 9.782 -7.707 -16.037 1.00 1.45 O ATOM 739 OE2 GLU A 45 8.451 -9.195 -15.119 1.00 74.22 O ATOM 0 H GLU A 45 9.022 -3.482 -12.775 1.00 30.13 H new ATOM 0 HA GLU A 45 9.179 -4.557 -15.530 1.00 52.54 H new ATOM 0 HB2 GLU A 45 9.569 -6.295 -13.783 1.00 15.25 H new ATOM 0 HB3 GLU A 45 8.040 -5.877 -13.035 1.00 15.25 H new ATOM 0 HG2 GLU A 45 7.004 -7.338 -14.371 1.00 4.12 H new ATOM 0 HG3 GLU A 45 7.447 -6.368 -15.761 1.00 4.12 H new ATOM 746 N VAL A 46 6.852 -3.879 -16.047 1.00 31.24 N ATOM 747 CA VAL A 46 5.537 -3.352 -16.391 1.00 40.23 C ATOM 748 C VAL A 46 4.823 -4.261 -17.385 1.00 23.40 C ATOM 749 O VAL A 46 5.189 -4.324 -18.558 1.00 32.01 O ATOM 750 CB VAL A 46 5.639 -1.936 -16.990 1.00 23.32 C ATOM 751 CG1 VAL A 46 5.944 -0.917 -15.902 1.00 70.34 C ATOM 752 CG2 VAL A 46 6.697 -1.895 -18.082 1.00 24.20 C ATOM 0 H VAL A 46 7.403 -4.193 -16.846 1.00 31.24 H new ATOM 0 HA VAL A 46 4.962 -3.307 -15.466 1.00 40.23 H new ATOM 0 HB VAL A 46 4.679 -1.679 -17.437 1.00 23.32 H new ATOM 0 HG11 VAL A 46 6.012 0.077 -16.344 1.00 70.34 H new ATOM 0 HG12 VAL A 46 5.147 -0.930 -15.158 1.00 70.34 H new ATOM 0 HG13 VAL A 46 6.891 -1.168 -15.424 1.00 70.34 H new ATOM 0 HG21 VAL A 46 6.756 -0.888 -18.494 1.00 24.20 H new ATOM 0 HG22 VAL A 46 7.664 -2.172 -17.662 1.00 24.20 H new ATOM 0 HG23 VAL A 46 6.431 -2.596 -18.873 1.00 24.20 H new ATOM 762 N ASN A 47 3.802 -4.965 -16.907 1.00 22.23 N ATOM 763 CA ASN A 47 3.036 -5.872 -17.753 1.00 61.54 C ATOM 764 C ASN A 47 3.874 -7.084 -18.150 1.00 31.31 C ATOM 765 O ASN A 47 3.690 -8.179 -17.618 1.00 65.41 O ATOM 766 CB ASN A 47 2.548 -5.144 -19.007 1.00 41.41 C ATOM 767 CG ASN A 47 1.037 -5.027 -19.057 1.00 31.14 C ATOM 768 OD1 ASN A 47 0.336 -6.004 -19.322 1.00 22.04 O ATOM 769 ND2 ASN A 47 0.527 -3.828 -18.801 1.00 45.44 N ATOM 0 H ASN A 47 3.486 -4.925 -15.938 1.00 22.23 H new ATOM 0 HA ASN A 47 2.174 -6.219 -17.183 1.00 61.54 H new ATOM 0 HB2 ASN A 47 2.988 -4.147 -19.039 1.00 41.41 H new ATOM 0 HB3 ASN A 47 2.898 -5.676 -19.892 1.00 41.41 H new ATOM 0 HD21 ASN A 47 -0.483 -3.689 -18.819 1.00 45.44 H new ATOM 0 HD22 ASN A 47 1.146 -3.046 -18.586 1.00 45.44 H new ATOM 776 N ASP A 48 4.794 -6.880 -19.086 1.00 54.14 N ATOM 777 CA ASP A 48 5.661 -7.955 -19.553 1.00 44.24 C ATOM 778 C ASP A 48 6.886 -7.393 -20.269 1.00 12.31 C ATOM 779 O ASP A 48 7.475 -8.054 -21.125 1.00 13.55 O ATOM 780 CB ASP A 48 4.893 -8.889 -20.489 1.00 31.40 C ATOM 781 CG ASP A 48 4.014 -8.135 -21.467 1.00 44.05 C ATOM 782 OD1 ASP A 48 2.872 -7.795 -21.097 1.00 55.54 O ATOM 783 OD2 ASP A 48 4.469 -7.886 -22.604 1.00 4.23 O ATOM 0 H ASP A 48 4.959 -5.980 -19.536 1.00 54.14 H new ATOM 0 HA ASP A 48 5.997 -8.520 -18.684 1.00 44.24 H new ATOM 0 HB2 ASP A 48 5.601 -9.506 -21.042 1.00 31.40 H new ATOM 0 HB3 ASP A 48 4.276 -9.565 -19.897 1.00 31.40 H new ATOM 788 N ARG A 49 7.263 -6.169 -19.913 1.00 54.23 N ATOM 789 CA ARG A 49 8.415 -5.517 -20.523 1.00 44.00 C ATOM 790 C ARG A 49 9.345 -4.948 -19.456 1.00 5.42 C ATOM 791 O ARG A 49 8.968 -4.828 -18.290 1.00 62.45 O ATOM 792 CB ARG A 49 7.958 -4.401 -21.464 1.00 63.14 C ATOM 793 CG ARG A 49 8.392 -4.605 -22.907 1.00 3.03 C ATOM 794 CD ARG A 49 7.299 -4.194 -23.881 1.00 21.42 C ATOM 795 NE ARG A 49 7.842 -3.793 -25.176 1.00 23.33 N ATOM 796 CZ ARG A 49 7.098 -3.612 -26.261 1.00 14.44 C ATOM 797 NH1 ARG A 49 5.785 -3.794 -26.206 1.00 45.12 N ATOM 798 NH2 ARG A 49 7.665 -3.246 -27.403 1.00 23.30 N ATOM 0 H ARG A 49 6.787 -5.609 -19.205 1.00 54.23 H new ATOM 0 HA ARG A 49 8.962 -6.265 -21.097 1.00 44.00 H new ATOM 0 HB2 ARG A 49 6.871 -4.329 -21.427 1.00 63.14 H new ATOM 0 HB3 ARG A 49 8.353 -3.450 -21.106 1.00 63.14 H new ATOM 0 HG2 ARG A 49 9.293 -4.023 -23.103 1.00 3.03 H new ATOM 0 HG3 ARG A 49 8.648 -5.652 -23.066 1.00 3.03 H new ATOM 0 HD2 ARG A 49 6.606 -5.024 -24.020 1.00 21.42 H new ATOM 0 HD3 ARG A 49 6.727 -3.369 -23.457 1.00 21.42 H new ATOM 0 HE ARG A 49 8.848 -3.644 -25.251 1.00 23.33 H new ATOM 0 HH11 ARG A 49 5.345 -4.073 -25.329 1.00 45.12 H new ATOM 0 HH12 ARG A 49 5.215 -3.654 -27.041 1.00 45.12 H new ATOM 0 HH21 ARG A 49 8.674 -3.103 -27.449 1.00 23.30 H new ATOM 0 HH22 ARG A 49 7.092 -3.107 -28.235 1.00 23.30 H new ATOM 812 N GLN A 50 10.562 -4.599 -19.863 1.00 54.31 N ATOM 813 CA GLN A 50 11.545 -4.043 -18.941 1.00 63.32 C ATOM 814 C GLN A 50 12.654 -3.320 -19.699 1.00 12.12 C ATOM 815 O GLN A 50 13.046 -3.733 -20.789 1.00 60.12 O ATOM 816 CB GLN A 50 12.144 -5.151 -18.073 1.00 30.23 C ATOM 817 CG GLN A 50 13.019 -6.125 -18.846 1.00 11.51 C ATOM 818 CD GLN A 50 12.986 -7.525 -18.267 1.00 73.44 C ATOM 819 OE1 GLN A 50 11.916 -8.102 -18.068 1.00 40.02 O ATOM 820 NE2 GLN A 50 14.160 -8.081 -17.994 1.00 62.43 N ATOM 0 H GLN A 50 10.890 -4.692 -20.824 1.00 54.31 H new ATOM 0 HA GLN A 50 11.038 -3.322 -18.300 1.00 63.32 H new ATOM 0 HB2 GLN A 50 12.735 -4.698 -17.277 1.00 30.23 H new ATOM 0 HB3 GLN A 50 11.335 -5.703 -17.595 1.00 30.23 H new ATOM 0 HG2 GLN A 50 12.690 -6.158 -19.885 1.00 11.51 H new ATOM 0 HG3 GLN A 50 14.046 -5.761 -18.849 1.00 11.51 H new ATOM 0 HE21 GLN A 50 15.022 -7.567 -18.175 1.00 62.43 H new ATOM 0 HE22 GLN A 50 14.200 -9.022 -17.604 1.00 62.43 H new ATOM 829 N GLY A 51 13.155 -2.237 -19.113 1.00 10.41 N ATOM 830 CA GLY A 51 14.213 -1.473 -19.747 1.00 42.44 C ATOM 831 C GLY A 51 15.361 -1.177 -18.803 1.00 23.12 C ATOM 832 O GLY A 51 15.426 -1.725 -17.702 1.00 60.02 O ATOM 0 H GLY A 51 12.847 -1.875 -18.210 1.00 10.41 H new ATOM 0 HA2 GLY A 51 14.589 -2.025 -20.609 1.00 42.44 H new ATOM 0 HA3 GLY A 51 13.804 -0.535 -20.122 1.00 42.44 H new ATOM 836 N PHE A 52 16.271 -0.309 -19.233 1.00 63.52 N ATOM 837 CA PHE A 52 17.424 0.056 -18.419 1.00 25.11 C ATOM 838 C PHE A 52 17.592 1.572 -18.362 1.00 33.41 C ATOM 839 O PHE A 52 18.197 2.175 -19.249 1.00 34.54 O ATOM 840 CB PHE A 52 18.695 -0.588 -18.978 1.00 31.00 C ATOM 841 CG PHE A 52 18.686 -2.088 -18.910 1.00 23.40 C ATOM 842 CD1 PHE A 52 18.449 -2.739 -17.710 1.00 63.41 C ATOM 843 CD2 PHE A 52 18.916 -2.848 -20.046 1.00 13.10 C ATOM 844 CE1 PHE A 52 18.440 -4.120 -17.644 1.00 63.11 C ATOM 845 CE2 PHE A 52 18.908 -4.229 -19.986 1.00 55.42 C ATOM 846 CZ PHE A 52 18.671 -4.866 -18.784 1.00 12.54 C ATOM 0 H PHE A 52 16.232 0.155 -20.141 1.00 63.52 H new ATOM 0 HA PHE A 52 17.253 -0.312 -17.407 1.00 25.11 H new ATOM 0 HB2 PHE A 52 18.823 -0.280 -20.016 1.00 31.00 H new ATOM 0 HB3 PHE A 52 19.556 -0.212 -18.426 1.00 31.00 H new ATOM 0 HD1 PHE A 52 18.269 -2.161 -16.816 1.00 63.41 H new ATOM 0 HD2 PHE A 52 19.104 -2.356 -20.989 1.00 13.10 H new ATOM 0 HE1 PHE A 52 18.253 -4.615 -16.703 1.00 63.11 H new ATOM 0 HE2 PHE A 52 19.087 -4.810 -20.879 1.00 55.42 H new ATOM 0 HZ PHE A 52 18.666 -5.945 -18.735 1.00 12.54 H new ATOM 856 N VAL A 53 17.051 2.182 -17.312 1.00 75.42 N ATOM 857 CA VAL A 53 17.139 3.626 -17.138 1.00 4.41 C ATOM 858 C VAL A 53 17.558 3.984 -15.716 1.00 71.32 C ATOM 859 O VAL A 53 17.366 3.214 -14.774 1.00 44.42 O ATOM 860 CB VAL A 53 15.798 4.314 -17.455 1.00 32.45 C ATOM 861 CG1 VAL A 53 15.592 4.416 -18.958 1.00 40.31 C ATOM 862 CG2 VAL A 53 14.648 3.563 -16.801 1.00 33.42 C ATOM 0 H VAL A 53 16.547 1.698 -16.569 1.00 75.42 H new ATOM 0 HA VAL A 53 17.895 3.983 -17.837 1.00 4.41 H new ATOM 0 HB VAL A 53 15.822 5.324 -17.047 1.00 32.45 H new ATOM 0 HG11 VAL A 53 14.639 4.905 -19.162 1.00 40.31 H new ATOM 0 HG12 VAL A 53 16.401 5.000 -19.397 1.00 40.31 H new ATOM 0 HG13 VAL A 53 15.588 3.417 -19.393 1.00 40.31 H new ATOM 0 HG21 VAL A 53 13.708 4.062 -17.035 1.00 33.42 H new ATOM 0 HG22 VAL A 53 14.620 2.541 -17.178 1.00 33.42 H new ATOM 0 HG23 VAL A 53 14.791 3.547 -15.721 1.00 33.42 H new ATOM 872 N PRO A 54 18.143 5.180 -15.555 1.00 21.24 N ATOM 873 CA PRO A 54 18.600 5.668 -14.250 1.00 22.40 C ATOM 874 C PRO A 54 17.441 5.999 -13.316 1.00 41.24 C ATOM 875 O PRO A 54 16.332 6.287 -13.766 1.00 63.22 O ATOM 876 CB PRO A 54 19.384 6.935 -14.600 1.00 23.20 C ATOM 877 CG PRO A 54 18.804 7.394 -15.893 1.00 1.32 C ATOM 878 CD PRO A 54 18.403 6.148 -16.633 1.00 1.21 C ATOM 0 HA PRO A 54 19.188 4.920 -13.718 1.00 22.40 H new ATOM 0 HB2 PRO A 54 19.275 7.694 -13.826 1.00 23.20 H new ATOM 0 HB3 PRO A 54 20.450 6.727 -14.696 1.00 23.20 H new ATOM 0 HG2 PRO A 54 17.944 8.043 -15.726 1.00 1.32 H new ATOM 0 HG3 PRO A 54 19.532 7.970 -16.464 1.00 1.32 H new ATOM 0 HD2 PRO A 54 17.518 6.313 -17.247 1.00 1.21 H new ATOM 0 HD3 PRO A 54 19.194 5.804 -17.300 1.00 1.21 H new ATOM 886 N ALA A 55 17.705 5.957 -12.015 1.00 2.54 N ATOM 887 CA ALA A 55 16.684 6.256 -11.018 1.00 43.20 C ATOM 888 C ALA A 55 16.207 7.700 -11.137 1.00 31.53 C ATOM 889 O ALA A 55 15.047 8.005 -10.859 1.00 25.51 O ATOM 890 CB ALA A 55 17.218 5.988 -9.619 1.00 3.23 C ATOM 0 H ALA A 55 18.617 5.719 -11.626 1.00 2.54 H new ATOM 0 HA ALA A 55 15.831 5.603 -11.200 1.00 43.20 H new ATOM 0 HB1 ALA A 55 16.445 6.216 -8.885 1.00 3.23 H new ATOM 0 HB2 ALA A 55 17.503 4.939 -9.533 1.00 3.23 H new ATOM 0 HB3 ALA A 55 18.089 6.617 -9.435 1.00 3.23 H new ATOM 896 N ALA A 56 17.108 8.584 -11.550 1.00 44.04 N ATOM 897 CA ALA A 56 16.778 9.995 -11.707 1.00 4.12 C ATOM 898 C ALA A 56 15.645 10.186 -12.709 1.00 34.14 C ATOM 899 O ALA A 56 14.972 11.217 -12.711 1.00 2.33 O ATOM 900 CB ALA A 56 18.007 10.779 -12.142 1.00 44.50 C ATOM 0 H ALA A 56 18.073 8.348 -11.782 1.00 44.04 H new ATOM 0 HA ALA A 56 16.442 10.373 -10.742 1.00 4.12 H new ATOM 0 HB1 ALA A 56 17.746 11.831 -12.255 1.00 44.50 H new ATOM 0 HB2 ALA A 56 18.788 10.678 -11.389 1.00 44.50 H new ATOM 0 HB3 ALA A 56 18.368 10.390 -13.094 1.00 44.50 H new ATOM 906 N TYR A 57 15.438 9.186 -13.559 1.00 3.43 N ATOM 907 CA TYR A 57 14.388 9.246 -14.568 1.00 34.11 C ATOM 908 C TYR A 57 13.020 8.977 -13.947 1.00 41.40 C ATOM 909 O TYR A 57 11.989 9.372 -14.492 1.00 63.34 O ATOM 910 CB TYR A 57 14.662 8.233 -15.681 1.00 5.21 C ATOM 911 CG TYR A 57 13.505 8.056 -16.637 1.00 70.43 C ATOM 912 CD1 TYR A 57 13.062 9.110 -17.427 1.00 22.42 C ATOM 913 CD2 TYR A 57 12.855 6.833 -16.752 1.00 73.01 C ATOM 914 CE1 TYR A 57 12.005 8.952 -18.301 1.00 74.23 C ATOM 915 CE2 TYR A 57 11.797 6.666 -17.625 1.00 61.41 C ATOM 916 CZ TYR A 57 11.375 7.728 -18.397 1.00 45.01 C ATOM 917 OH TYR A 57 10.322 7.566 -19.268 1.00 45.41 O ATOM 0 H TYR A 57 15.984 8.324 -13.569 1.00 3.43 H new ATOM 0 HA TYR A 57 14.384 10.250 -14.992 1.00 34.11 H new ATOM 0 HB2 TYR A 57 15.541 8.551 -16.242 1.00 5.21 H new ATOM 0 HB3 TYR A 57 14.902 7.269 -15.232 1.00 5.21 H new ATOM 0 HD1 TYR A 57 13.553 10.069 -17.356 1.00 22.42 H new ATOM 0 HD2 TYR A 57 13.182 5.999 -16.149 1.00 73.01 H new ATOM 0 HE1 TYR A 57 11.673 9.782 -18.907 1.00 74.23 H new ATOM 0 HE2 TYR A 57 11.303 5.709 -17.702 1.00 61.41 H new ATOM 0 HH TYR A 57 9.935 8.441 -19.480 1.00 45.41 H new ATOM 927 N VAL A 58 13.020 8.303 -12.801 1.00 53.42 N ATOM 928 CA VAL A 58 11.780 7.983 -12.103 1.00 64.34 C ATOM 929 C VAL A 58 11.735 8.645 -10.731 1.00 41.31 C ATOM 930 O VAL A 58 12.766 9.038 -10.184 1.00 40.14 O ATOM 931 CB VAL A 58 11.610 6.461 -11.933 1.00 11.53 C ATOM 932 CG1 VAL A 58 12.488 5.949 -10.801 1.00 50.22 C ATOM 933 CG2 VAL A 58 10.150 6.114 -11.685 1.00 32.13 C ATOM 0 H VAL A 58 13.864 7.968 -12.337 1.00 53.42 H new ATOM 0 HA VAL A 58 10.963 8.367 -12.715 1.00 64.34 H new ATOM 0 HB VAL A 58 11.925 5.972 -12.855 1.00 11.53 H new ATOM 0 HG11 VAL A 58 12.355 4.872 -10.696 1.00 50.22 H new ATOM 0 HG12 VAL A 58 13.533 6.165 -11.025 1.00 50.22 H new ATOM 0 HG13 VAL A 58 12.206 6.442 -9.871 1.00 50.22 H new ATOM 0 HG21 VAL A 58 10.047 5.035 -11.567 1.00 32.13 H new ATOM 0 HG22 VAL A 58 9.806 6.612 -10.779 1.00 32.13 H new ATOM 0 HG23 VAL A 58 9.548 6.445 -12.531 1.00 32.13 H new ATOM 943 N LYS A 59 10.533 8.766 -10.178 1.00 41.41 N ATOM 944 CA LYS A 59 10.351 9.380 -8.868 1.00 23.21 C ATOM 945 C LYS A 59 9.485 8.501 -7.971 1.00 51.32 C ATOM 946 O LYS A 59 8.330 8.218 -8.291 1.00 1.03 O ATOM 947 CB LYS A 59 9.714 10.763 -9.014 1.00 11.52 C ATOM 948 CG LYS A 59 10.720 11.901 -8.999 1.00 10.31 C ATOM 949 CD LYS A 59 11.252 12.193 -10.392 1.00 4.12 C ATOM 950 CE LYS A 59 11.530 13.676 -10.583 1.00 54.41 C ATOM 951 NZ LYS A 59 12.926 13.926 -11.035 1.00 63.22 N ATOM 0 H LYS A 59 9.670 8.447 -10.617 1.00 41.41 H new ATOM 0 HA LYS A 59 11.332 9.486 -8.405 1.00 23.21 H new ATOM 0 HB2 LYS A 59 9.152 10.798 -9.947 1.00 11.52 H new ATOM 0 HB3 LYS A 59 8.998 10.911 -8.205 1.00 11.52 H new ATOM 0 HG2 LYS A 59 10.251 12.797 -8.592 1.00 10.31 H new ATOM 0 HG3 LYS A 59 11.549 11.647 -8.338 1.00 10.31 H new ATOM 0 HD2 LYS A 59 12.168 11.626 -10.559 1.00 4.12 H new ATOM 0 HD3 LYS A 59 10.529 11.858 -11.136 1.00 4.12 H new ATOM 0 HE2 LYS A 59 10.833 14.085 -11.315 1.00 54.41 H new ATOM 0 HE3 LYS A 59 11.352 14.202 -9.645 1.00 54.41 H new ATOM 0 HZ1 LYS A 59 13.075 14.948 -11.153 1.00 63.22 H new ATOM 0 HZ2 LYS A 59 13.592 13.559 -10.325 1.00 63.22 H new ATOM 0 HZ3 LYS A 59 13.088 13.445 -11.943 1.00 63.22 H new ATOM 965 N LYS A 60 10.049 8.074 -6.847 1.00 33.33 N ATOM 966 CA LYS A 60 9.328 7.230 -5.901 1.00 75.45 C ATOM 967 C LYS A 60 8.897 8.030 -4.676 1.00 63.51 C ATOM 968 O LYS A 60 9.578 8.971 -4.266 1.00 53.03 O ATOM 969 CB LYS A 60 10.201 6.048 -5.472 1.00 14.42 C ATOM 970 CG LYS A 60 11.339 6.439 -4.545 1.00 71.21 C ATOM 971 CD LYS A 60 12.684 5.996 -5.096 1.00 73.44 C ATOM 972 CE LYS A 60 13.804 6.920 -4.644 1.00 14.01 C ATOM 973 NZ LYS A 60 14.372 7.699 -5.778 1.00 44.05 N ATOM 0 H LYS A 60 11.004 8.299 -6.568 1.00 33.33 H new ATOM 0 HA LYS A 60 8.434 6.852 -6.398 1.00 75.45 H new ATOM 0 HB2 LYS A 60 9.576 5.307 -4.974 1.00 14.42 H new ATOM 0 HB3 LYS A 60 10.615 5.571 -6.361 1.00 14.42 H new ATOM 0 HG2 LYS A 60 11.340 7.520 -4.405 1.00 71.21 H new ATOM 0 HG3 LYS A 60 11.181 5.991 -3.564 1.00 71.21 H new ATOM 0 HD2 LYS A 60 12.896 4.979 -4.767 1.00 73.44 H new ATOM 0 HD3 LYS A 60 12.644 5.977 -6.185 1.00 73.44 H new ATOM 0 HE2 LYS A 60 13.425 7.606 -3.886 1.00 14.01 H new ATOM 0 HE3 LYS A 60 14.593 6.332 -4.176 1.00 14.01 H new ATOM 0 HZ1 LYS A 60 15.132 8.317 -5.429 1.00 44.05 H new ATOM 0 HZ2 LYS A 60 14.756 7.046 -6.490 1.00 44.05 H new ATOM 0 HZ3 LYS A 60 13.625 8.280 -6.209 1.00 44.05 H new ATOM 987 N LEU A 61 7.765 7.649 -4.094 1.00 64.32 N ATOM 988 CA LEU A 61 7.245 8.330 -2.914 1.00 21.22 C ATOM 989 C LEU A 61 7.174 9.836 -3.141 1.00 42.44 C ATOM 990 O LEU A 61 7.541 10.624 -2.269 1.00 50.01 O ATOM 991 CB LEU A 61 8.122 8.027 -1.698 1.00 4.02 C ATOM 992 CG LEU A 61 8.446 6.553 -1.454 1.00 70.41 C ATOM 993 CD1 LEU A 61 9.948 6.349 -1.328 1.00 12.42 C ATOM 994 CD2 LEU A 61 7.731 6.048 -0.209 1.00 1.52 C ATOM 0 H LEU A 61 7.190 6.872 -4.420 1.00 64.32 H new ATOM 0 HA LEU A 61 6.236 7.962 -2.728 1.00 21.22 H new ATOM 0 HB2 LEU A 61 9.060 8.571 -1.807 1.00 4.02 H new ATOM 0 HB3 LEU A 61 7.626 8.421 -0.811 1.00 4.02 H new ATOM 0 HG LEU A 61 8.093 5.978 -2.310 1.00 70.41 H new ATOM 0 HD11 LEU A 61 10.159 5.294 -1.155 1.00 12.42 H new ATOM 0 HD12 LEU A 61 10.437 6.670 -2.247 1.00 12.42 H new ATOM 0 HD13 LEU A 61 10.326 6.937 -0.491 1.00 12.42 H new ATOM 0 HD21 LEU A 61 7.973 4.997 -0.051 1.00 1.52 H new ATOM 0 HD22 LEU A 61 8.052 6.628 0.656 1.00 1.52 H new ATOM 0 HD23 LEU A 61 6.654 6.156 -0.339 1.00 1.52 H new ATOM 1006 N ASP A 62 6.698 10.230 -4.318 1.00 24.14 N ATOM 1007 CA ASP A 62 6.576 11.642 -4.659 1.00 51.40 C ATOM 1008 C ASP A 62 5.992 11.815 -6.058 1.00 22.31 C ATOM 1009 O ASP A 62 5.320 12.813 -6.311 1.00 44.42 O ATOM 1010 CB ASP A 62 7.939 12.330 -4.574 1.00 25.24 C ATOM 1011 CG ASP A 62 7.903 13.583 -3.722 1.00 5.51 C ATOM 1012 OD1 ASP A 62 7.352 14.602 -4.189 1.00 32.33 O ATOM 1013 OD2 ASP A 62 8.428 13.547 -2.589 1.00 32.32 O ATOM 0 H ASP A 62 6.391 9.591 -5.051 1.00 24.14 H new ATOM 0 HA ASP A 62 5.899 12.105 -3.942 1.00 51.40 H new ATOM 0 HB2 ASP A 62 8.669 11.634 -4.161 1.00 25.24 H new ATOM 0 HB3 ASP A 62 8.276 12.587 -5.578 1.00 25.24 H new HETATM 1018 N NH2 A 90 6.259 10.850 -6.926 1.00 34.43 N TER 1019 NH2 A 90