USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 557 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 TYR OH : rot 180:sc= 1.05 USER MOD Set 1.2: A 39 LYS NZ :NH3+ -176:sc= 1.26 (180deg=0) USER MOD Set 2.1: A 3 LYS NZ :NH3+ -142:sc= 1.26 (180deg=0.962) USER MOD Set 2.2: A 17 THR OG1 : rot 180:sc= 0.0033 USER MOD Single : A 1 MET CE :methyl -161:sc= 0 (180deg=-0.239) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.116 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -148:sc= 2.46 (180deg=1.88) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.16) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= 1.3 (180deg=1.19) USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0312) USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= -0.0896 (180deg=-0.491) USER MOD Single : A 29 MET CE :methyl -159:sc= -0.225 (180deg=-0.925) USER MOD Single : A 31 SER OG : rot 180:sc= 0.598 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.69 USER MOD Single : A 34 TYR OH : rot 138:sc= 0.0979 USER MOD Single : A 37 ASN : amide:sc= -1.27! K(o=-1.3!,f=-0.012) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= 1.19 (180deg=0.798) USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= 1.07 (180deg=0.727) USER MOD Single : A 57 MET CE :methyl -144:sc= -0.113 (180deg=-0.584) USER MOD Single : A 65 LYS NZ :NH3+ -132:sc= 0.61 (180deg=-0.32) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.383 -11.281 -5.453 1.00 4.12 N ATOM 2 CA MET A 1 -6.375 -10.280 -5.865 1.00 3.25 C ATOM 3 C MET A 1 -5.462 -9.965 -4.690 1.00 2.66 C ATOM 4 O MET A 1 -5.834 -10.181 -3.537 1.00 3.04 O ATOM 5 CB MET A 1 -7.074 -9.002 -6.354 1.00 3.39 C ATOM 6 CG MET A 1 -6.140 -7.977 -6.980 1.00 3.39 C ATOM 7 SD MET A 1 -7.002 -6.492 -7.533 1.00 4.40 S ATOM 8 CE MET A 1 -5.640 -5.557 -8.227 1.00 4.67 C ATOM 0 H1 MET A 1 -7.215 -12.172 -5.962 1.00 4.12 H new ATOM 0 H2 MET A 1 -7.309 -11.447 -4.429 1.00 4.12 H new ATOM 0 H3 MET A 1 -8.335 -10.928 -5.678 1.00 4.12 H new ATOM 0 HA MET A 1 -5.777 -10.684 -6.682 1.00 3.25 H new ATOM 0 HB2 MET A 1 -7.836 -9.275 -7.084 1.00 3.39 H new ATOM 0 HB3 MET A 1 -7.590 -8.540 -5.513 1.00 3.39 H new ATOM 0 HG2 MET A 1 -5.375 -7.699 -6.255 1.00 3.39 H new ATOM 0 HG3 MET A 1 -5.626 -8.430 -7.828 1.00 3.39 H new ATOM 0 HE1 MET A 1 -5.921 -4.506 -8.302 1.00 4.67 H new ATOM 0 HE2 MET A 1 -4.766 -5.654 -7.582 1.00 4.67 H new ATOM 0 HE3 MET A 1 -5.403 -5.941 -9.219 1.00 4.67 H new ATOM 20 N VAL A 2 -4.273 -9.454 -4.976 1.00 2.26 N ATOM 21 CA VAL A 2 -3.329 -9.092 -3.936 1.00 2.19 C ATOM 22 C VAL A 2 -3.267 -7.577 -3.789 1.00 1.63 C ATOM 23 O VAL A 2 -2.455 -6.909 -4.424 1.00 1.88 O ATOM 24 CB VAL A 2 -1.915 -9.662 -4.210 1.00 2.84 C ATOM 25 CG1 VAL A 2 -1.859 -11.146 -3.873 1.00 3.27 C ATOM 26 CG2 VAL A 2 -1.500 -9.439 -5.661 1.00 3.64 C ATOM 0 H VAL A 2 -3.941 -9.281 -5.925 1.00 2.26 H new ATOM 0 HA VAL A 2 -3.683 -9.533 -3.004 1.00 2.19 H new ATOM 0 HB VAL A 2 -1.214 -9.128 -3.568 1.00 2.84 H new ATOM 0 HG11 VAL A 2 -0.857 -11.527 -4.073 1.00 3.27 H new ATOM 0 HG12 VAL A 2 -2.098 -11.289 -2.819 1.00 3.27 H new ATOM 0 HG13 VAL A 2 -2.581 -11.686 -4.486 1.00 3.27 H new ATOM 0 HG21 VAL A 2 -0.503 -9.850 -5.822 1.00 3.64 H new ATOM 0 HG22 VAL A 2 -2.209 -9.937 -6.323 1.00 3.64 H new ATOM 0 HG23 VAL A 2 -1.491 -8.371 -5.877 1.00 3.64 H new ATOM 36 N LYS A 3 -4.156 -7.040 -2.968 1.00 1.32 N ATOM 37 CA LYS A 3 -4.220 -5.603 -2.761 1.00 1.00 C ATOM 38 C LYS A 3 -3.454 -5.198 -1.512 1.00 1.03 C ATOM 39 O LYS A 3 -2.322 -4.726 -1.593 1.00 1.56 O ATOM 40 CB LYS A 3 -5.671 -5.126 -2.665 1.00 1.17 C ATOM 41 CG LYS A 3 -6.311 -4.818 -4.009 1.00 1.44 C ATOM 42 CD LYS A 3 -7.745 -4.355 -3.838 1.00 1.73 C ATOM 43 CE LYS A 3 -8.320 -3.792 -5.126 1.00 2.34 C ATOM 44 NZ LYS A 3 -7.711 -2.484 -5.486 1.00 3.09 N ATOM 0 H LYS A 3 -4.841 -7.576 -2.436 1.00 1.32 H new ATOM 0 HA LYS A 3 -3.755 -5.126 -3.623 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -6.261 -5.890 -2.160 1.00 1.17 H new ATOM 0 HB3 LYS A 3 -5.708 -4.232 -2.043 1.00 1.17 H new ATOM 0 HG2 LYS A 3 -5.735 -4.047 -4.521 1.00 1.44 H new ATOM 0 HG3 LYS A 3 -6.285 -5.707 -4.640 1.00 1.44 H new ATOM 0 HD2 LYS A 3 -8.358 -5.191 -3.503 1.00 1.73 H new ATOM 0 HD3 LYS A 3 -7.790 -3.594 -3.058 1.00 1.73 H new ATOM 0 HE2 LYS A 3 -8.157 -4.503 -5.936 1.00 2.34 H new ATOM 0 HE3 LYS A 3 -9.398 -3.672 -5.019 1.00 2.34 H new ATOM 0 HZ1 LYS A 3 -8.441 -1.860 -5.885 1.00 3.09 H new ATOM 0 HZ2 LYS A 3 -7.306 -2.044 -4.635 1.00 3.09 H new ATOM 0 HZ3 LYS A 3 -6.960 -2.633 -6.190 1.00 3.09 H new ATOM 58 N VAL A 4 -4.058 -5.400 -0.355 1.00 0.84 N ATOM 59 CA VAL A 4 -3.438 -4.993 0.888 1.00 0.90 C ATOM 60 C VAL A 4 -3.375 -6.159 1.855 1.00 0.82 C ATOM 61 O VAL A 4 -4.354 -6.477 2.531 1.00 0.85 O ATOM 62 CB VAL A 4 -4.173 -3.804 1.555 1.00 1.06 C ATOM 63 CG1 VAL A 4 -3.502 -3.415 2.864 1.00 1.46 C ATOM 64 CG2 VAL A 4 -4.232 -2.611 0.609 1.00 1.31 C ATOM 0 H VAL A 4 -4.972 -5.841 -0.252 1.00 0.84 H new ATOM 0 HA VAL A 4 -2.429 -4.662 0.642 1.00 0.90 H new ATOM 0 HB VAL A 4 -5.193 -4.119 1.777 1.00 1.06 H new ATOM 0 HG11 VAL A 4 -4.037 -2.578 3.312 1.00 1.46 H new ATOM 0 HG12 VAL A 4 -3.518 -4.264 3.547 1.00 1.46 H new ATOM 0 HG13 VAL A 4 -2.469 -3.124 2.671 1.00 1.46 H new ATOM 0 HG21 VAL A 4 -4.752 -1.786 1.096 1.00 1.31 H new ATOM 0 HG22 VAL A 4 -3.219 -2.300 0.352 1.00 1.31 H new ATOM 0 HG23 VAL A 4 -4.767 -2.892 -0.298 1.00 1.31 H new ATOM 74 N LYS A 5 -2.220 -6.803 1.887 1.00 0.79 N ATOM 75 CA LYS A 5 -1.941 -7.826 2.873 1.00 0.77 C ATOM 76 C LYS A 5 -1.233 -7.172 4.037 1.00 0.78 C ATOM 77 O LYS A 5 -0.242 -6.468 3.846 1.00 1.45 O ATOM 78 CB LYS A 5 -1.052 -8.936 2.297 1.00 0.93 C ATOM 79 CG LYS A 5 -1.761 -9.865 1.327 1.00 1.38 C ATOM 80 CD LYS A 5 -0.825 -10.958 0.833 1.00 1.91 C ATOM 81 CE LYS A 5 -1.559 -12.013 0.020 1.00 2.43 C ATOM 82 NZ LYS A 5 -2.572 -12.740 0.831 1.00 2.70 N ATOM 0 H LYS A 5 -1.456 -6.631 1.234 1.00 0.79 H new ATOM 0 HA LYS A 5 -2.880 -8.282 3.187 1.00 0.77 H new ATOM 0 HB2 LYS A 5 -0.203 -8.478 1.789 1.00 0.93 H new ATOM 0 HB3 LYS A 5 -0.650 -9.527 3.120 1.00 0.93 H new ATOM 0 HG2 LYS A 5 -2.625 -10.315 1.815 1.00 1.38 H new ATOM 0 HG3 LYS A 5 -2.137 -9.293 0.479 1.00 1.38 H new ATOM 0 HD2 LYS A 5 -0.038 -10.513 0.224 1.00 1.91 H new ATOM 0 HD3 LYS A 5 -0.338 -11.431 1.686 1.00 1.91 H new ATOM 0 HE2 LYS A 5 -2.049 -11.539 -0.831 1.00 2.43 H new ATOM 0 HE3 LYS A 5 -0.839 -12.725 -0.383 1.00 2.43 H new ATOM 0 HZ1 LYS A 5 -2.653 -13.719 0.489 1.00 2.70 H new ATOM 0 HZ2 LYS A 5 -2.279 -12.745 1.829 1.00 2.70 H new ATOM 0 HZ3 LYS A 5 -3.493 -12.265 0.743 1.00 2.70 H new ATOM 96 N PHE A 6 -1.737 -7.393 5.230 1.00 0.58 N ATOM 97 CA PHE A 6 -1.181 -6.766 6.408 1.00 0.57 C ATOM 98 C PHE A 6 -1.430 -7.654 7.610 1.00 0.58 C ATOM 99 O PHE A 6 -2.338 -8.489 7.596 1.00 0.85 O ATOM 100 CB PHE A 6 -1.764 -5.357 6.619 1.00 0.59 C ATOM 101 CG PHE A 6 -3.243 -5.302 6.920 1.00 0.58 C ATOM 102 CD1 PHE A 6 -4.188 -5.618 5.954 1.00 0.60 C ATOM 103 CD2 PHE A 6 -3.684 -4.898 8.171 1.00 0.65 C ATOM 104 CE1 PHE A 6 -5.538 -5.541 6.232 1.00 0.65 C ATOM 105 CE2 PHE A 6 -5.035 -4.822 8.455 1.00 0.70 C ATOM 106 CZ PHE A 6 -5.962 -5.142 7.485 1.00 0.67 C ATOM 0 H PHE A 6 -2.533 -8.004 5.411 1.00 0.58 H new ATOM 0 HA PHE A 6 -0.106 -6.645 6.274 1.00 0.57 H new ATOM 0 HB2 PHE A 6 -1.227 -4.880 7.438 1.00 0.59 H new ATOM 0 HB3 PHE A 6 -1.571 -4.766 5.724 1.00 0.59 H new ATOM 0 HD1 PHE A 6 -3.863 -5.928 4.972 1.00 0.60 H new ATOM 0 HD2 PHE A 6 -2.963 -4.640 8.933 1.00 0.65 H new ATOM 0 HE1 PHE A 6 -6.262 -5.792 5.471 1.00 0.65 H new ATOM 0 HE2 PHE A 6 -5.364 -4.512 9.436 1.00 0.70 H new ATOM 0 HZ PHE A 6 -7.018 -5.081 7.705 1.00 0.67 H new ATOM 116 N LYS A 7 -0.624 -7.481 8.643 1.00 0.53 N ATOM 117 CA LYS A 7 -0.732 -8.331 9.808 1.00 0.57 C ATOM 118 C LYS A 7 -1.469 -7.611 10.922 1.00 0.59 C ATOM 119 O LYS A 7 -1.080 -6.526 11.353 1.00 0.63 O ATOM 120 CB LYS A 7 0.640 -8.843 10.274 1.00 0.70 C ATOM 121 CG LYS A 7 1.657 -7.769 10.629 1.00 1.34 C ATOM 122 CD LYS A 7 2.955 -8.406 11.109 1.00 1.71 C ATOM 123 CE LYS A 7 3.963 -7.373 11.592 1.00 2.66 C ATOM 124 NZ LYS A 7 4.408 -6.462 10.506 1.00 3.64 N ATOM 0 H LYS A 7 0.103 -6.768 8.696 1.00 0.53 H new ATOM 0 HA LYS A 7 -1.313 -9.210 9.529 1.00 0.57 H new ATOM 0 HB2 LYS A 7 0.493 -9.481 11.146 1.00 0.70 H new ATOM 0 HB3 LYS A 7 1.060 -9.470 9.487 1.00 0.70 H new ATOM 0 HG2 LYS A 7 1.852 -7.142 9.759 1.00 1.34 H new ATOM 0 HG3 LYS A 7 1.254 -7.120 11.406 1.00 1.34 H new ATOM 0 HD2 LYS A 7 2.737 -9.103 11.918 1.00 1.71 H new ATOM 0 HD3 LYS A 7 3.394 -8.986 10.297 1.00 1.71 H new ATOM 0 HE2 LYS A 7 3.520 -6.785 12.396 1.00 2.66 H new ATOM 0 HE3 LYS A 7 4.830 -7.884 12.011 1.00 2.66 H new ATOM 0 HZ1 LYS A 7 5.233 -5.916 10.827 1.00 3.64 H new ATOM 0 HZ2 LYS A 7 4.668 -7.021 9.668 1.00 3.64 H new ATOM 0 HZ3 LYS A 7 3.635 -5.810 10.261 1.00 3.64 H new ATOM 138 N TYR A 8 -2.551 -8.223 11.363 1.00 0.61 N ATOM 139 CA TYR A 8 -3.398 -7.657 12.393 1.00 0.67 C ATOM 140 C TYR A 8 -3.815 -8.761 13.345 1.00 0.85 C ATOM 141 O TYR A 8 -4.123 -9.872 12.904 1.00 0.86 O ATOM 142 CB TYR A 8 -4.629 -6.986 11.773 1.00 0.63 C ATOM 143 CG TYR A 8 -5.676 -6.582 12.791 1.00 0.71 C ATOM 144 CD1 TYR A 8 -5.447 -5.534 13.677 1.00 0.88 C ATOM 145 CD2 TYR A 8 -6.887 -7.261 12.875 1.00 0.82 C ATOM 146 CE1 TYR A 8 -6.398 -5.172 14.614 1.00 1.03 C ATOM 147 CE2 TYR A 8 -7.839 -6.905 13.809 1.00 0.97 C ATOM 148 CZ TYR A 8 -7.592 -5.861 14.676 1.00 1.03 C ATOM 149 OH TYR A 8 -8.540 -5.515 15.614 1.00 1.23 O ATOM 0 H TYR A 8 -2.867 -9.128 11.016 1.00 0.61 H new ATOM 0 HA TYR A 8 -2.845 -6.893 12.940 1.00 0.67 H new ATOM 0 HB2 TYR A 8 -4.311 -6.102 11.221 1.00 0.63 H new ATOM 0 HB3 TYR A 8 -5.080 -7.668 11.052 1.00 0.63 H new ATOM 0 HD1 TYR A 8 -4.512 -4.995 13.632 1.00 0.88 H new ATOM 0 HD2 TYR A 8 -7.086 -8.079 12.199 1.00 0.82 H new ATOM 0 HE1 TYR A 8 -6.207 -4.354 15.293 1.00 1.03 H new ATOM 0 HE2 TYR A 8 -8.774 -7.442 13.861 1.00 0.97 H new ATOM 0 HH TYR A 8 -9.321 -6.099 15.520 1.00 1.23 H new ATOM 159 N LYS A 9 -3.770 -8.468 14.646 1.00 1.11 N ATOM 160 CA LYS A 9 -4.098 -9.445 15.693 1.00 1.36 C ATOM 161 C LYS A 9 -3.016 -10.533 15.772 1.00 1.30 C ATOM 162 O LYS A 9 -2.987 -11.343 16.701 1.00 1.73 O ATOM 163 CB LYS A 9 -5.479 -10.069 15.421 1.00 1.70 C ATOM 164 CG LYS A 9 -6.006 -10.953 16.538 1.00 1.73 C ATOM 165 CD LYS A 9 -6.409 -10.145 17.759 1.00 2.19 C ATOM 166 CE LYS A 9 -6.914 -11.047 18.874 1.00 2.65 C ATOM 167 NZ LYS A 9 -7.414 -10.269 20.037 1.00 2.90 N ATOM 0 H LYS A 9 -3.506 -7.551 15.006 1.00 1.11 H new ATOM 0 HA LYS A 9 -4.133 -8.931 16.654 1.00 1.36 H new ATOM 0 HB2 LYS A 9 -6.196 -9.268 15.241 1.00 1.70 H new ATOM 0 HB3 LYS A 9 -5.423 -10.658 14.506 1.00 1.70 H new ATOM 0 HG2 LYS A 9 -6.865 -11.519 16.178 1.00 1.73 H new ATOM 0 HG3 LYS A 9 -5.242 -11.678 16.819 1.00 1.73 H new ATOM 0 HD2 LYS A 9 -5.556 -9.567 18.114 1.00 2.19 H new ATOM 0 HD3 LYS A 9 -7.186 -9.431 17.485 1.00 2.19 H new ATOM 0 HE2 LYS A 9 -7.713 -11.682 18.492 1.00 2.65 H new ATOM 0 HE3 LYS A 9 -6.110 -11.707 19.198 1.00 2.65 H new ATOM 0 HZ1 LYS A 9 -7.749 -10.922 20.774 1.00 2.90 H new ATOM 0 HZ2 LYS A 9 -6.645 -9.682 20.418 1.00 2.90 H new ATOM 0 HZ3 LYS A 9 -8.199 -9.658 19.734 1.00 2.90 H new ATOM 181 N GLY A 10 -2.123 -10.535 14.789 1.00 1.10 N ATOM 182 CA GLY A 10 -1.057 -11.512 14.729 1.00 1.12 C ATOM 183 C GLY A 10 -1.210 -12.419 13.526 1.00 0.98 C ATOM 184 O GLY A 10 -0.438 -13.361 13.344 1.00 1.11 O ATOM 0 H GLY A 10 -2.122 -9.864 14.021 1.00 1.10 H new ATOM 0 HA2 GLY A 10 -0.095 -11.002 14.682 1.00 1.12 H new ATOM 0 HA3 GLY A 10 -1.057 -12.110 15.640 1.00 1.12 H new ATOM 188 N GLU A 11 -2.200 -12.115 12.697 1.00 0.95 N ATOM 189 CA GLU A 11 -2.533 -12.947 11.546 1.00 1.20 C ATOM 190 C GLU A 11 -2.544 -12.117 10.268 1.00 1.00 C ATOM 191 O GLU A 11 -2.489 -10.886 10.324 1.00 1.38 O ATOM 192 CB GLU A 11 -3.911 -13.569 11.747 1.00 1.69 C ATOM 193 CG GLU A 11 -4.087 -14.228 13.101 1.00 2.37 C ATOM 194 CD GLU A 11 -5.454 -14.847 13.262 1.00 3.21 C ATOM 195 OE1 GLU A 11 -6.413 -14.117 13.587 1.00 3.81 O ATOM 196 OE2 GLU A 11 -5.578 -16.071 13.064 1.00 3.60 O ATOM 0 H GLU A 11 -2.792 -11.291 12.801 1.00 0.95 H new ATOM 0 HA GLU A 11 -1.779 -13.729 11.455 1.00 1.20 H new ATOM 0 HB2 GLU A 11 -4.670 -12.796 11.627 1.00 1.69 H new ATOM 0 HB3 GLU A 11 -4.084 -14.310 10.966 1.00 1.69 H new ATOM 0 HG2 GLU A 11 -3.325 -14.996 13.231 1.00 2.37 H new ATOM 0 HG3 GLU A 11 -3.931 -13.488 13.886 1.00 2.37 H new ATOM 203 N GLU A 12 -2.616 -12.792 9.123 1.00 0.98 N ATOM 204 CA GLU A 12 -2.724 -12.119 7.833 1.00 0.87 C ATOM 205 C GLU A 12 -4.176 -11.760 7.566 1.00 0.79 C ATOM 206 O GLU A 12 -5.056 -12.624 7.610 1.00 0.89 O ATOM 207 CB GLU A 12 -2.216 -13.016 6.695 1.00 1.13 C ATOM 208 CG GLU A 12 -2.475 -12.429 5.311 1.00 1.80 C ATOM 209 CD GLU A 12 -2.480 -13.472 4.210 1.00 2.11 C ATOM 210 OE1 GLU A 12 -3.329 -14.390 4.259 1.00 2.30 O ATOM 211 OE2 GLU A 12 -1.645 -13.380 3.287 1.00 2.43 O ATOM 0 H GLU A 12 -2.601 -13.810 9.064 1.00 0.98 H new ATOM 0 HA GLU A 12 -2.111 -11.218 7.869 1.00 0.87 H new ATOM 0 HB2 GLU A 12 -1.146 -13.180 6.819 1.00 1.13 H new ATOM 0 HB3 GLU A 12 -2.698 -13.991 6.766 1.00 1.13 H new ATOM 0 HG2 GLU A 12 -3.434 -11.912 5.317 1.00 1.80 H new ATOM 0 HG3 GLU A 12 -1.712 -11.682 5.092 1.00 1.80 H new ATOM 218 N LYS A 13 -4.426 -10.496 7.286 1.00 0.71 N ATOM 219 CA LYS A 13 -5.752 -10.017 7.013 1.00 0.75 C ATOM 220 C LYS A 13 -5.741 -9.206 5.716 1.00 0.73 C ATOM 221 O LYS A 13 -4.733 -8.582 5.387 1.00 1.21 O ATOM 222 CB LYS A 13 -6.177 -9.162 8.202 1.00 0.96 C ATOM 223 CG LYS A 13 -7.324 -8.227 7.929 1.00 0.86 C ATOM 224 CD LYS A 13 -8.656 -8.953 7.858 1.00 1.44 C ATOM 225 CE LYS A 13 -9.767 -8.011 7.418 1.00 2.02 C ATOM 226 NZ LYS A 13 -11.091 -8.682 7.386 1.00 2.73 N ATOM 0 H LYS A 13 -3.706 -9.775 7.243 1.00 0.71 H new ATOM 0 HA LYS A 13 -6.458 -10.837 6.881 1.00 0.75 H new ATOM 0 HB2 LYS A 13 -6.452 -9.821 9.026 1.00 0.96 H new ATOM 0 HB3 LYS A 13 -5.320 -8.576 8.535 1.00 0.96 H new ATOM 0 HG2 LYS A 13 -7.367 -7.470 8.712 1.00 0.86 H new ATOM 0 HG3 LYS A 13 -7.147 -7.704 6.989 1.00 0.86 H new ATOM 0 HD2 LYS A 13 -8.583 -9.787 7.160 1.00 1.44 H new ATOM 0 HD3 LYS A 13 -8.897 -9.375 8.834 1.00 1.44 H new ATOM 0 HE2 LYS A 13 -9.809 -7.160 8.097 1.00 2.02 H new ATOM 0 HE3 LYS A 13 -9.537 -7.618 6.428 1.00 2.02 H new ATOM 0 HZ1 LYS A 13 -11.817 -8.003 7.081 1.00 2.73 H new ATOM 0 HZ2 LYS A 13 -11.060 -9.479 6.719 1.00 2.73 H new ATOM 0 HZ3 LYS A 13 -11.324 -9.035 8.336 1.00 2.73 H new ATOM 240 N GLU A 14 -6.845 -9.235 4.977 1.00 0.55 N ATOM 241 CA GLU A 14 -6.983 -8.454 3.755 1.00 0.54 C ATOM 242 C GLU A 14 -8.368 -7.832 3.687 1.00 0.65 C ATOM 243 O GLU A 14 -9.374 -8.500 3.948 1.00 0.88 O ATOM 244 CB GLU A 14 -6.748 -9.308 2.506 1.00 0.60 C ATOM 245 CG GLU A 14 -5.295 -9.689 2.286 1.00 1.38 C ATOM 246 CD GLU A 14 -5.074 -10.398 0.966 1.00 1.90 C ATOM 247 OE1 GLU A 14 -5.001 -9.715 -0.077 1.00 2.38 O ATOM 248 OE2 GLU A 14 -4.982 -11.641 0.961 1.00 2.39 O ATOM 0 H GLU A 14 -7.664 -9.797 5.207 1.00 0.55 H new ATOM 0 HA GLU A 14 -6.225 -7.671 3.780 1.00 0.54 H new ATOM 0 HB2 GLU A 14 -7.344 -10.217 2.582 1.00 0.60 H new ATOM 0 HB3 GLU A 14 -7.107 -8.763 1.633 1.00 0.60 H new ATOM 0 HG2 GLU A 14 -4.678 -8.791 2.320 1.00 1.38 H new ATOM 0 HG3 GLU A 14 -4.965 -10.334 3.101 1.00 1.38 H new ATOM 255 N VAL A 15 -8.412 -6.551 3.369 1.00 0.68 N ATOM 256 CA VAL A 15 -9.674 -5.840 3.216 1.00 0.82 C ATOM 257 C VAL A 15 -9.650 -5.023 1.923 1.00 0.72 C ATOM 258 O VAL A 15 -10.514 -4.176 1.681 1.00 1.19 O ATOM 259 CB VAL A 15 -9.951 -4.926 4.439 1.00 1.20 C ATOM 260 CG1 VAL A 15 -8.979 -3.753 4.482 1.00 1.53 C ATOM 261 CG2 VAL A 15 -11.398 -4.443 4.459 1.00 2.11 C ATOM 0 H VAL A 15 -7.584 -5.976 3.210 1.00 0.68 H new ATOM 0 HA VAL A 15 -10.482 -6.569 3.161 1.00 0.82 H new ATOM 0 HB VAL A 15 -9.792 -5.524 5.337 1.00 1.20 H new ATOM 0 HG11 VAL A 15 -9.198 -3.131 5.350 1.00 1.53 H new ATOM 0 HG12 VAL A 15 -7.958 -4.129 4.553 1.00 1.53 H new ATOM 0 HG13 VAL A 15 -9.085 -3.160 3.574 1.00 1.53 H new ATOM 0 HG21 VAL A 15 -11.557 -3.805 5.329 1.00 2.11 H new ATOM 0 HG22 VAL A 15 -11.605 -3.876 3.551 1.00 2.11 H new ATOM 0 HG23 VAL A 15 -12.067 -5.302 4.511 1.00 2.11 H new ATOM 271 N ASP A 16 -8.635 -5.299 1.100 1.00 0.76 N ATOM 272 CA ASP A 16 -8.396 -4.570 -0.147 1.00 0.98 C ATOM 273 C ASP A 16 -7.869 -3.201 0.217 1.00 0.91 C ATOM 274 O ASP A 16 -7.342 -3.024 1.315 1.00 1.57 O ATOM 275 CB ASP A 16 -9.666 -4.442 -1.008 1.00 1.33 C ATOM 276 CG ASP A 16 -10.228 -5.780 -1.448 1.00 1.87 C ATOM 277 OD1 ASP A 16 -9.711 -6.354 -2.428 1.00 2.64 O ATOM 278 OD2 ASP A 16 -11.182 -6.270 -0.811 1.00 2.08 O ATOM 0 H ASP A 16 -7.954 -6.037 1.281 1.00 0.76 H new ATOM 0 HA ASP A 16 -7.675 -5.124 -0.748 1.00 0.98 H new ATOM 0 HB2 ASP A 16 -10.427 -3.904 -0.443 1.00 1.33 H new ATOM 0 HB3 ASP A 16 -9.440 -3.843 -1.890 1.00 1.33 H new ATOM 283 N THR A 17 -7.969 -2.239 -0.684 1.00 0.98 N ATOM 284 CA THR A 17 -7.704 -0.867 -0.314 1.00 0.92 C ATOM 285 C THR A 17 -8.785 -0.431 0.669 1.00 0.85 C ATOM 286 O THR A 17 -8.646 -0.678 1.863 1.00 1.17 O ATOM 287 CB THR A 17 -7.697 0.045 -1.550 1.00 1.36 C ATOM 288 OG1 THR A 17 -7.084 -0.647 -2.651 1.00 1.66 O ATOM 289 CG2 THR A 17 -6.935 1.333 -1.266 1.00 1.86 C ATOM 0 H THR A 17 -8.228 -2.382 -1.660 1.00 0.98 H new ATOM 0 HA THR A 17 -6.719 -0.790 0.147 1.00 0.92 H new ATOM 0 HB THR A 17 -8.726 0.301 -1.801 1.00 1.36 H new ATOM 0 HG1 THR A 17 -7.080 -0.067 -3.441 1.00 1.66 H new ATOM 0 HG21 THR A 17 -6.943 1.964 -2.155 1.00 1.86 H new ATOM 0 HG22 THR A 17 -7.411 1.863 -0.441 1.00 1.86 H new ATOM 0 HG23 THR A 17 -5.905 1.095 -0.999 1.00 1.86 H new ATOM 297 N SER A 18 -9.845 0.206 0.168 1.00 0.73 N ATOM 298 CA SER A 18 -11.086 0.412 0.923 1.00 0.86 C ATOM 299 C SER A 18 -10.869 1.199 2.224 1.00 0.82 C ATOM 300 O SER A 18 -11.155 2.396 2.299 1.00 1.13 O ATOM 301 CB SER A 18 -11.744 -0.943 1.224 1.00 1.16 C ATOM 302 OG SER A 18 -13.000 -0.784 1.865 1.00 1.81 O ATOM 0 H SER A 18 -9.869 0.595 -0.775 1.00 0.73 H new ATOM 0 HA SER A 18 -11.746 1.015 0.299 1.00 0.86 H new ATOM 0 HB2 SER A 18 -11.877 -1.498 0.295 1.00 1.16 H new ATOM 0 HB3 SER A 18 -11.084 -1.536 1.858 1.00 1.16 H new ATOM 0 HG SER A 18 -13.392 -1.665 2.040 1.00 1.81 H new ATOM 308 N LYS A 19 -10.342 0.527 3.234 1.00 0.68 N ATOM 309 CA LYS A 19 -10.208 1.108 4.560 1.00 0.75 C ATOM 310 C LYS A 19 -8.854 1.790 4.730 1.00 0.68 C ATOM 311 O LYS A 19 -8.690 2.647 5.601 1.00 1.06 O ATOM 312 CB LYS A 19 -10.410 0.034 5.632 1.00 0.99 C ATOM 313 CG LYS A 19 -11.850 -0.452 5.736 1.00 1.25 C ATOM 314 CD LYS A 19 -12.029 -1.447 6.870 1.00 1.92 C ATOM 315 CE LYS A 19 -13.502 -1.688 7.158 1.00 2.22 C ATOM 316 NZ LYS A 19 -13.707 -2.513 8.377 1.00 3.07 N ATOM 0 H LYS A 19 -9.997 -0.430 3.159 1.00 0.68 H new ATOM 0 HA LYS A 19 -10.980 1.869 4.677 1.00 0.75 H new ATOM 0 HB2 LYS A 19 -9.763 -0.815 5.412 1.00 0.99 H new ATOM 0 HB3 LYS A 19 -10.098 0.431 6.598 1.00 0.99 H new ATOM 0 HG2 LYS A 19 -12.511 0.400 5.893 1.00 1.25 H new ATOM 0 HG3 LYS A 19 -12.146 -0.916 4.795 1.00 1.25 H new ATOM 0 HD2 LYS A 19 -11.547 -2.390 6.611 1.00 1.92 H new ATOM 0 HD3 LYS A 19 -11.536 -1.073 7.767 1.00 1.92 H new ATOM 0 HE2 LYS A 19 -14.008 -0.730 7.280 1.00 2.22 H new ATOM 0 HE3 LYS A 19 -13.961 -2.185 6.303 1.00 2.22 H new ATOM 0 HZ1 LYS A 19 -14.726 -2.652 8.535 1.00 3.07 H new ATOM 0 HZ2 LYS A 19 -13.247 -3.437 8.252 1.00 3.07 H new ATOM 0 HZ3 LYS A 19 -13.292 -2.028 9.198 1.00 3.07 H new ATOM 330 N ILE A 20 -7.885 1.397 3.908 1.00 0.74 N ATOM 331 CA ILE A 20 -6.565 2.032 3.926 1.00 0.71 C ATOM 332 C ILE A 20 -6.638 3.463 3.399 1.00 0.78 C ATOM 333 O ILE A 20 -6.583 3.711 2.192 1.00 1.22 O ATOM 334 CB ILE A 20 -5.543 1.238 3.078 1.00 1.02 C ATOM 335 CG1 ILE A 20 -5.627 -0.263 3.383 1.00 1.33 C ATOM 336 CG2 ILE A 20 -4.129 1.757 3.327 1.00 1.79 C ATOM 337 CD1 ILE A 20 -5.384 -0.616 4.832 1.00 1.72 C ATOM 0 H ILE A 20 -7.985 0.647 3.224 1.00 0.74 H new ATOM 0 HA ILE A 20 -6.234 2.043 4.965 1.00 0.71 H new ATOM 0 HB ILE A 20 -5.787 1.383 2.026 1.00 1.02 H new ATOM 0 HG12 ILE A 20 -6.613 -0.627 3.093 1.00 1.33 H new ATOM 0 HG13 ILE A 20 -4.899 -0.789 2.766 1.00 1.33 H new ATOM 0 HG21 ILE A 20 -3.421 1.189 2.724 1.00 1.79 H new ATOM 0 HG22 ILE A 20 -4.075 2.811 3.054 1.00 1.79 H new ATOM 0 HG23 ILE A 20 -3.880 1.643 4.382 1.00 1.79 H new ATOM 0 HD11 ILE A 20 -5.462 -1.696 4.961 1.00 1.72 H new ATOM 0 HD12 ILE A 20 -4.387 -0.286 5.125 1.00 1.72 H new ATOM 0 HD13 ILE A 20 -6.128 -0.121 5.457 1.00 1.72 H new ATOM 349 N LYS A 21 -6.773 4.397 4.331 1.00 0.62 N ATOM 350 CA LYS A 21 -6.894 5.809 4.006 1.00 0.88 C ATOM 351 C LYS A 21 -5.586 6.559 4.243 1.00 0.78 C ATOM 352 O LYS A 21 -5.178 7.381 3.422 1.00 1.17 O ATOM 353 CB LYS A 21 -8.014 6.437 4.838 1.00 1.13 C ATOM 354 CG LYS A 21 -9.380 5.832 4.573 1.00 1.52 C ATOM 355 CD LYS A 21 -10.436 6.418 5.491 1.00 1.92 C ATOM 356 CE LYS A 21 -11.808 5.850 5.185 1.00 2.23 C ATOM 357 NZ LYS A 21 -12.849 6.436 6.063 1.00 2.46 N ATOM 0 H LYS A 21 -6.801 4.196 5.331 1.00 0.62 H new ATOM 0 HA LYS A 21 -7.133 5.889 2.946 1.00 0.88 H new ATOM 0 HB2 LYS A 21 -7.776 6.326 5.896 1.00 1.13 H new ATOM 0 HB3 LYS A 21 -8.053 7.506 4.631 1.00 1.13 H new ATOM 0 HG2 LYS A 21 -9.661 6.007 3.535 1.00 1.52 H new ATOM 0 HG3 LYS A 21 -9.334 4.752 4.713 1.00 1.52 H new ATOM 0 HD2 LYS A 21 -10.176 6.208 6.529 1.00 1.92 H new ATOM 0 HD3 LYS A 21 -10.456 7.502 5.381 1.00 1.92 H new ATOM 0 HE2 LYS A 21 -12.059 6.045 4.142 1.00 2.23 H new ATOM 0 HE3 LYS A 21 -11.791 4.768 5.312 1.00 2.23 H new ATOM 0 HZ1 LYS A 21 -13.712 5.859 6.011 1.00 2.46 H new ATOM 0 HZ2 LYS A 21 -12.505 6.456 7.044 1.00 2.46 H new ATOM 0 HZ3 LYS A 21 -13.061 7.405 5.751 1.00 2.46 H new ATOM 371 N LYS A 22 -4.928 6.275 5.355 1.00 0.67 N ATOM 372 CA LYS A 22 -3.712 6.991 5.724 1.00 0.70 C ATOM 373 C LYS A 22 -2.493 6.117 5.453 1.00 0.51 C ATOM 374 O LYS A 22 -2.338 5.061 6.056 1.00 0.50 O ATOM 375 CB LYS A 22 -3.785 7.390 7.206 1.00 1.07 C ATOM 376 CG LYS A 22 -2.900 8.570 7.603 1.00 1.44 C ATOM 377 CD LYS A 22 -1.419 8.225 7.577 1.00 2.03 C ATOM 378 CE LYS A 22 -0.567 9.351 8.148 1.00 2.77 C ATOM 379 NZ LYS A 22 -0.701 10.615 7.377 1.00 3.08 N ATOM 0 H LYS A 22 -5.213 5.555 6.019 1.00 0.67 H new ATOM 0 HA LYS A 22 -3.620 7.896 5.124 1.00 0.70 H new ATOM 0 HB2 LYS A 22 -4.819 7.633 7.450 1.00 1.07 H new ATOM 0 HB3 LYS A 22 -3.508 6.528 7.813 1.00 1.07 H new ATOM 0 HG2 LYS A 22 -3.087 9.404 6.926 1.00 1.44 H new ATOM 0 HG3 LYS A 22 -3.174 8.904 8.604 1.00 1.44 H new ATOM 0 HD2 LYS A 22 -1.248 7.313 8.149 1.00 2.03 H new ATOM 0 HD3 LYS A 22 -1.111 8.020 6.552 1.00 2.03 H new ATOM 0 HE2 LYS A 22 -0.854 9.529 9.184 1.00 2.77 H new ATOM 0 HE3 LYS A 22 0.479 9.043 8.155 1.00 2.77 H new ATOM 0 HZ1 LYS A 22 -0.039 11.323 7.754 1.00 3.08 H new ATOM 0 HZ2 LYS A 22 -0.484 10.436 6.376 1.00 3.08 H new ATOM 0 HZ3 LYS A 22 -1.674 10.972 7.461 1.00 3.08 H new ATOM 393 N VAL A 23 -1.635 6.559 4.547 1.00 0.49 N ATOM 394 CA VAL A 23 -0.440 5.802 4.197 1.00 0.49 C ATOM 395 C VAL A 23 0.804 6.532 4.694 1.00 0.51 C ATOM 396 O VAL A 23 1.066 7.670 4.294 1.00 0.63 O ATOM 397 CB VAL A 23 -0.336 5.585 2.671 1.00 0.64 C ATOM 398 CG1 VAL A 23 0.840 4.678 2.331 1.00 1.56 C ATOM 399 CG2 VAL A 23 -1.634 5.012 2.118 1.00 1.29 C ATOM 0 H VAL A 23 -1.742 7.438 4.040 1.00 0.49 H new ATOM 0 HA VAL A 23 -0.511 4.826 4.677 1.00 0.49 H new ATOM 0 HB VAL A 23 -0.164 6.554 2.203 1.00 0.64 H new ATOM 0 HG11 VAL A 23 0.893 4.540 1.251 1.00 1.56 H new ATOM 0 HG12 VAL A 23 1.765 5.134 2.684 1.00 1.56 H new ATOM 0 HG13 VAL A 23 0.705 3.710 2.814 1.00 1.56 H new ATOM 0 HG21 VAL A 23 -1.538 4.867 1.042 1.00 1.29 H new ATOM 0 HG22 VAL A 23 -1.842 4.055 2.596 1.00 1.29 H new ATOM 0 HG23 VAL A 23 -2.452 5.703 2.320 1.00 1.29 H new ATOM 409 N ALA A 24 1.569 5.882 5.563 1.00 0.45 N ATOM 410 CA ALA A 24 2.726 6.513 6.184 1.00 0.51 C ATOM 411 C ALA A 24 3.923 5.571 6.199 1.00 0.46 C ATOM 412 O ALA A 24 3.769 4.349 6.239 1.00 0.44 O ATOM 413 CB ALA A 24 2.384 6.957 7.599 1.00 0.65 C ATOM 0 H ALA A 24 1.408 4.918 5.853 1.00 0.45 H new ATOM 0 HA ALA A 24 2.995 7.388 5.593 1.00 0.51 H new ATOM 0 HB1 ALA A 24 3.256 7.427 8.054 1.00 0.65 H new ATOM 0 HB2 ALA A 24 1.562 7.672 7.567 1.00 0.65 H new ATOM 0 HB3 ALA A 24 2.089 6.091 8.191 1.00 0.65 H new ATOM 419 N ARG A 25 5.115 6.147 6.143 1.00 0.60 N ATOM 420 CA ARG A 25 6.345 5.370 6.124 1.00 0.65 C ATOM 421 C ARG A 25 7.114 5.494 7.440 1.00 0.67 C ATOM 422 O ARG A 25 7.208 6.575 8.022 1.00 0.76 O ATOM 423 CB ARG A 25 7.211 5.788 4.925 1.00 0.86 C ATOM 424 CG ARG A 25 7.290 7.295 4.701 1.00 1.27 C ATOM 425 CD ARG A 25 8.375 7.952 5.540 1.00 1.80 C ATOM 426 NE ARG A 25 9.716 7.574 5.096 1.00 2.24 N ATOM 427 CZ ARG A 25 10.649 8.447 4.717 1.00 2.94 C ATOM 428 NH1 ARG A 25 10.414 9.752 4.779 1.00 3.40 N ATOM 429 NH2 ARG A 25 11.827 8.019 4.290 1.00 3.61 N ATOM 0 H ARG A 25 5.256 7.157 6.110 1.00 0.60 H new ATOM 0 HA ARG A 25 6.083 4.318 6.013 1.00 0.65 H new ATOM 0 HB2 ARG A 25 8.220 5.401 5.068 1.00 0.86 H new ATOM 0 HB3 ARG A 25 6.814 5.319 4.025 1.00 0.86 H new ATOM 0 HG2 ARG A 25 7.481 7.493 3.646 1.00 1.27 H new ATOM 0 HG3 ARG A 25 6.327 7.746 4.941 1.00 1.27 H new ATOM 0 HD2 ARG A 25 8.268 9.035 5.487 1.00 1.80 H new ATOM 0 HD3 ARG A 25 8.246 7.669 6.585 1.00 1.80 H new ATOM 0 HE ARG A 25 9.952 6.582 5.075 1.00 2.24 H new ATOM 0 HH11 ARG A 25 9.514 10.093 5.118 1.00 3.40 H new ATOM 0 HH12 ARG A 25 11.133 10.414 4.487 1.00 3.40 H new ATOM 0 HH21 ARG A 25 12.022 7.019 4.250 1.00 3.61 H new ATOM 0 HH22 ARG A 25 12.539 8.690 4.001 1.00 3.61 H new ATOM 443 N VAL A 26 7.658 4.372 7.901 1.00 0.70 N ATOM 444 CA VAL A 26 8.441 4.338 9.136 1.00 0.81 C ATOM 445 C VAL A 26 9.666 3.439 8.969 1.00 0.92 C ATOM 446 O VAL A 26 9.578 2.210 9.042 1.00 1.51 O ATOM 447 CB VAL A 26 7.607 3.875 10.361 1.00 0.95 C ATOM 448 CG1 VAL A 26 6.622 4.954 10.787 1.00 1.32 C ATOM 449 CG2 VAL A 26 6.867 2.580 10.068 1.00 1.07 C ATOM 0 H VAL A 26 7.571 3.468 7.436 1.00 0.70 H new ATOM 0 HA VAL A 26 8.762 5.361 9.331 1.00 0.81 H new ATOM 0 HB VAL A 26 8.303 3.694 11.180 1.00 0.95 H new ATOM 0 HG11 VAL A 26 6.050 4.605 11.647 1.00 1.32 H new ATOM 0 HG12 VAL A 26 7.167 5.859 11.057 1.00 1.32 H new ATOM 0 HG13 VAL A 26 5.942 5.172 9.963 1.00 1.32 H new ATOM 0 HG21 VAL A 26 6.293 2.283 10.945 1.00 1.07 H new ATOM 0 HG22 VAL A 26 6.192 2.729 9.226 1.00 1.07 H new ATOM 0 HG23 VAL A 26 7.585 1.798 9.823 1.00 1.07 H new ATOM 459 N GLY A 27 10.816 4.062 8.763 1.00 0.93 N ATOM 460 CA GLY A 27 12.027 3.313 8.484 1.00 0.96 C ATOM 461 C GLY A 27 11.895 2.451 7.244 1.00 0.89 C ATOM 462 O GLY A 27 11.588 2.951 6.163 1.00 0.98 O ATOM 0 H GLY A 27 10.934 5.075 8.784 1.00 0.93 H new ATOM 0 HA2 GLY A 27 12.859 4.006 8.356 1.00 0.96 H new ATOM 0 HA3 GLY A 27 12.267 2.681 9.339 1.00 0.96 H new ATOM 466 N LYS A 28 12.114 1.157 7.396 1.00 0.91 N ATOM 467 CA LYS A 28 11.995 0.229 6.279 1.00 0.97 C ATOM 468 C LYS A 28 10.644 -0.475 6.302 1.00 0.77 C ATOM 469 O LYS A 28 10.353 -1.318 5.458 1.00 0.86 O ATOM 470 CB LYS A 28 13.125 -0.800 6.323 1.00 1.22 C ATOM 471 CG LYS A 28 14.509 -0.184 6.206 1.00 1.60 C ATOM 472 CD LYS A 28 15.602 -1.236 6.285 1.00 1.99 C ATOM 473 CE LYS A 28 16.981 -0.598 6.300 1.00 2.47 C ATOM 474 NZ LYS A 28 17.157 0.309 7.466 1.00 3.21 N ATOM 0 H LYS A 28 12.375 0.722 8.281 1.00 0.91 H new ATOM 0 HA LYS A 28 12.070 0.798 5.353 1.00 0.97 H new ATOM 0 HB2 LYS A 28 13.062 -1.358 7.257 1.00 1.22 H new ATOM 0 HB3 LYS A 28 12.985 -1.517 5.514 1.00 1.22 H new ATOM 0 HG2 LYS A 28 14.589 0.353 5.261 1.00 1.60 H new ATOM 0 HG3 LYS A 28 14.650 0.547 7.002 1.00 1.60 H new ATOM 0 HD2 LYS A 28 15.467 -1.837 7.184 1.00 1.99 H new ATOM 0 HD3 LYS A 28 15.521 -1.913 5.434 1.00 1.99 H new ATOM 0 HE2 LYS A 28 17.742 -1.378 6.328 1.00 2.47 H new ATOM 0 HE3 LYS A 28 17.132 -0.038 5.377 1.00 2.47 H new ATOM 0 HZ1 LYS A 28 18.171 0.483 7.620 1.00 3.21 H new ATOM 0 HZ2 LYS A 28 16.675 1.211 7.280 1.00 3.21 H new ATOM 0 HZ3 LYS A 28 16.749 -0.133 8.314 1.00 3.21 H new ATOM 488 N MET A 29 9.829 -0.138 7.282 1.00 0.60 N ATOM 489 CA MET A 29 8.511 -0.724 7.408 1.00 0.52 C ATOM 490 C MET A 29 7.441 0.270 6.964 1.00 0.43 C ATOM 491 O MET A 29 7.596 1.481 7.122 1.00 0.47 O ATOM 492 CB MET A 29 8.289 -1.152 8.859 1.00 0.60 C ATOM 493 CG MET A 29 6.968 -1.859 9.098 1.00 1.39 C ATOM 494 SD MET A 29 6.762 -2.396 10.810 1.00 1.86 S ATOM 495 CE MET A 29 8.173 -3.486 10.995 1.00 2.42 C ATOM 0 H MET A 29 10.059 0.543 8.006 1.00 0.60 H new ATOM 0 HA MET A 29 8.439 -1.600 6.763 1.00 0.52 H new ATOM 0 HB2 MET A 29 9.102 -1.812 9.161 1.00 0.60 H new ATOM 0 HB3 MET A 29 8.339 -0.271 9.499 1.00 0.60 H new ATOM 0 HG2 MET A 29 6.150 -1.190 8.831 1.00 1.39 H new ATOM 0 HG3 MET A 29 6.900 -2.725 8.440 1.00 1.39 H new ATOM 0 HE1 MET A 29 7.998 -4.170 11.826 1.00 2.42 H new ATOM 0 HE2 MET A 29 8.314 -4.058 10.078 1.00 2.42 H new ATOM 0 HE3 MET A 29 9.066 -2.894 11.194 1.00 2.42 H new ATOM 505 N VAL A 30 6.364 -0.247 6.396 1.00 0.52 N ATOM 506 CA VAL A 30 5.247 0.586 5.977 1.00 0.45 C ATOM 507 C VAL A 30 4.131 0.497 7.006 1.00 0.44 C ATOM 508 O VAL A 30 3.456 -0.525 7.116 1.00 0.61 O ATOM 509 CB VAL A 30 4.705 0.162 4.594 1.00 0.56 C ATOM 510 CG1 VAL A 30 3.602 1.105 4.137 1.00 0.54 C ATOM 511 CG2 VAL A 30 5.831 0.111 3.571 1.00 0.61 C ATOM 0 H VAL A 30 6.239 -1.243 6.214 1.00 0.52 H new ATOM 0 HA VAL A 30 5.606 1.612 5.898 1.00 0.45 H new ATOM 0 HB VAL A 30 4.280 -0.838 4.684 1.00 0.56 H new ATOM 0 HG11 VAL A 30 3.234 0.789 3.161 1.00 0.54 H new ATOM 0 HG12 VAL A 30 2.784 1.084 4.857 1.00 0.54 H new ATOM 0 HG13 VAL A 30 3.997 2.119 4.065 1.00 0.54 H new ATOM 0 HG21 VAL A 30 5.430 -0.190 2.603 1.00 0.61 H new ATOM 0 HG22 VAL A 30 6.289 1.097 3.484 1.00 0.61 H new ATOM 0 HG23 VAL A 30 6.582 -0.611 3.892 1.00 0.61 H new ATOM 521 N SER A 31 3.957 1.562 7.772 1.00 0.35 N ATOM 522 CA SER A 31 2.963 1.584 8.828 1.00 0.39 C ATOM 523 C SER A 31 1.842 2.545 8.455 1.00 0.37 C ATOM 524 O SER A 31 1.996 3.764 8.529 1.00 0.48 O ATOM 525 CB SER A 31 3.617 1.992 10.150 1.00 0.53 C ATOM 526 OG SER A 31 2.802 1.676 11.266 1.00 1.25 O ATOM 0 H SER A 31 4.494 2.424 7.680 1.00 0.35 H new ATOM 0 HA SER A 31 2.538 0.588 8.951 1.00 0.39 H new ATOM 0 HB2 SER A 31 4.579 1.488 10.249 1.00 0.53 H new ATOM 0 HB3 SER A 31 3.818 3.063 10.140 1.00 0.53 H new ATOM 0 HG SER A 31 3.255 1.950 12.090 1.00 1.25 H new ATOM 532 N PHE A 32 0.725 1.983 8.041 1.00 0.34 N ATOM 533 CA PHE A 32 -0.392 2.763 7.541 1.00 0.34 C ATOM 534 C PHE A 32 -1.565 2.709 8.505 1.00 0.34 C ATOM 535 O PHE A 32 -1.623 1.854 9.392 1.00 0.35 O ATOM 536 CB PHE A 32 -0.813 2.261 6.151 1.00 0.35 C ATOM 537 CG PHE A 32 -0.967 0.766 6.058 1.00 0.37 C ATOM 538 CD1 PHE A 32 -2.162 0.147 6.390 1.00 0.42 C ATOM 539 CD2 PHE A 32 0.093 -0.021 5.636 1.00 0.49 C ATOM 540 CE1 PHE A 32 -2.295 -1.228 6.304 1.00 0.53 C ATOM 541 CE2 PHE A 32 -0.036 -1.394 5.549 1.00 0.61 C ATOM 542 CZ PHE A 32 -1.233 -1.995 5.884 1.00 0.61 C ATOM 0 H PHE A 32 0.564 0.976 8.041 1.00 0.34 H new ATOM 0 HA PHE A 32 -0.073 3.802 7.455 1.00 0.34 H new ATOM 0 HB2 PHE A 32 -1.758 2.731 5.878 1.00 0.35 H new ATOM 0 HB3 PHE A 32 -0.073 2.585 5.420 1.00 0.35 H new ATOM 0 HD1 PHE A 32 -2.999 0.745 6.720 1.00 0.42 H new ATOM 0 HD2 PHE A 32 1.031 0.445 5.372 1.00 0.49 H new ATOM 0 HE1 PHE A 32 -3.231 -1.698 6.566 1.00 0.53 H new ATOM 0 HE2 PHE A 32 0.798 -1.996 5.220 1.00 0.61 H new ATOM 0 HZ PHE A 32 -1.336 -3.068 5.816 1.00 0.61 H new ATOM 552 N THR A 33 -2.496 3.623 8.322 1.00 0.38 N ATOM 553 CA THR A 33 -3.673 3.696 9.156 1.00 0.46 C ATOM 554 C THR A 33 -4.912 3.375 8.328 1.00 0.50 C ATOM 555 O THR A 33 -5.074 3.865 7.204 1.00 0.62 O ATOM 556 CB THR A 33 -3.808 5.092 9.806 1.00 0.57 C ATOM 557 OG1 THR A 33 -2.715 5.326 10.709 1.00 1.17 O ATOM 558 CG2 THR A 33 -5.122 5.232 10.564 1.00 1.06 C ATOM 0 H THR A 33 -2.456 4.334 7.592 1.00 0.38 H new ATOM 0 HA THR A 33 -3.576 2.962 9.956 1.00 0.46 H new ATOM 0 HB THR A 33 -3.791 5.829 9.004 1.00 0.57 H new ATOM 0 HG1 THR A 33 -2.809 6.213 11.114 1.00 1.17 H new ATOM 0 HG21 THR A 33 -5.182 6.226 11.008 1.00 1.06 H new ATOM 0 HG22 THR A 33 -5.956 5.091 9.876 1.00 1.06 H new ATOM 0 HG23 THR A 33 -5.170 4.480 11.351 1.00 1.06 H new ATOM 566 N TYR A 34 -5.776 2.549 8.887 1.00 0.54 N ATOM 567 CA TYR A 34 -6.986 2.141 8.205 1.00 0.63 C ATOM 568 C TYR A 34 -8.191 2.435 9.079 1.00 0.70 C ATOM 569 O TYR A 34 -8.090 2.475 10.308 1.00 0.95 O ATOM 570 CB TYR A 34 -6.941 0.653 7.812 1.00 0.69 C ATOM 571 CG TYR A 34 -6.854 -0.315 8.973 1.00 0.64 C ATOM 572 CD1 TYR A 34 -8.005 -0.806 9.582 1.00 0.76 C ATOM 573 CD2 TYR A 34 -5.625 -0.749 9.454 1.00 0.66 C ATOM 574 CE1 TYR A 34 -7.932 -1.693 10.635 1.00 0.81 C ATOM 575 CE2 TYR A 34 -5.546 -1.639 10.508 1.00 0.72 C ATOM 576 CZ TYR A 34 -6.705 -2.105 11.095 1.00 0.75 C ATOM 577 OH TYR A 34 -6.635 -2.985 12.147 1.00 0.87 O ATOM 0 H TYR A 34 -5.660 2.146 9.817 1.00 0.54 H new ATOM 0 HA TYR A 34 -7.069 2.714 7.281 1.00 0.63 H new ATOM 0 HB2 TYR A 34 -7.833 0.420 7.230 1.00 0.69 H new ATOM 0 HB3 TYR A 34 -6.083 0.491 7.159 1.00 0.69 H new ATOM 0 HD1 TYR A 34 -8.972 -0.487 9.223 1.00 0.76 H new ATOM 0 HD2 TYR A 34 -4.717 -0.385 8.997 1.00 0.66 H new ATOM 0 HE1 TYR A 34 -8.836 -2.062 11.096 1.00 0.81 H new ATOM 0 HE2 TYR A 34 -4.583 -1.968 10.870 1.00 0.72 H new ATOM 0 HH TYR A 34 -5.945 -3.657 11.966 1.00 0.87 H new ATOM 587 N ASP A 35 -9.323 2.655 8.443 1.00 1.05 N ATOM 588 CA ASP A 35 -10.530 3.024 9.157 1.00 1.19 C ATOM 589 C ASP A 35 -11.339 1.783 9.503 1.00 1.20 C ATOM 590 O ASP A 35 -11.900 1.132 8.624 1.00 1.46 O ATOM 591 CB ASP A 35 -11.374 3.973 8.307 1.00 1.51 C ATOM 592 CG ASP A 35 -12.327 4.816 9.133 1.00 1.63 C ATOM 593 OD1 ASP A 35 -12.706 4.370 10.238 1.00 1.99 O ATOM 594 OD2 ASP A 35 -12.710 5.915 8.687 1.00 2.12 O ATOM 0 H ASP A 35 -9.434 2.585 7.431 1.00 1.05 H new ATOM 0 HA ASP A 35 -10.247 3.529 10.080 1.00 1.19 H new ATOM 0 HB2 ASP A 35 -10.714 4.630 7.741 1.00 1.51 H new ATOM 0 HB3 ASP A 35 -11.945 3.393 7.582 1.00 1.51 H new ATOM 599 N ASP A 36 -11.390 1.461 10.785 1.00 1.24 N ATOM 600 CA ASP A 36 -12.151 0.312 11.259 1.00 1.47 C ATOM 601 C ASP A 36 -13.545 0.777 11.656 1.00 1.69 C ATOM 602 O ASP A 36 -14.450 -0.025 11.895 1.00 2.10 O ATOM 603 CB ASP A 36 -11.426 -0.332 12.449 1.00 1.93 C ATOM 604 CG ASP A 36 -12.152 -1.540 13.009 1.00 2.68 C ATOM 605 OD1 ASP A 36 -12.082 -2.621 12.389 1.00 2.88 O ATOM 606 OD2 ASP A 36 -12.780 -1.411 14.078 1.00 3.47 O ATOM 0 H ASP A 36 -10.912 1.981 11.521 1.00 1.24 H new ATOM 0 HA ASP A 36 -12.238 -0.436 10.471 1.00 1.47 H new ATOM 0 HB2 ASP A 36 -10.425 -0.630 12.138 1.00 1.93 H new ATOM 0 HB3 ASP A 36 -11.307 0.410 13.238 1.00 1.93 H new ATOM 611 N ASN A 37 -13.673 2.102 11.740 1.00 2.04 N ATOM 612 CA ASN A 37 -14.943 2.795 11.964 1.00 2.52 C ATOM 613 C ASN A 37 -15.271 2.850 13.447 1.00 2.87 C ATOM 614 O ASN A 37 -15.642 3.906 13.968 1.00 3.52 O ATOM 615 CB ASN A 37 -16.103 2.166 11.171 1.00 3.11 C ATOM 616 CG ASN A 37 -15.929 2.281 9.664 1.00 3.61 C ATOM 617 OD1 ASN A 37 -16.408 1.435 8.904 1.00 4.37 O ATOM 618 ND2 ASN A 37 -15.237 3.317 9.215 1.00 3.58 N ATOM 0 H ASN A 37 -12.880 2.737 11.652 1.00 2.04 H new ATOM 0 HA ASN A 37 -14.820 3.813 11.594 1.00 2.52 H new ATOM 0 HB2 ASN A 37 -16.191 1.114 11.441 1.00 3.11 H new ATOM 0 HB3 ASN A 37 -17.037 2.648 11.461 1.00 3.11 H new ATOM 0 HD21 ASN A 37 -15.086 3.434 8.213 1.00 3.58 H new ATOM 0 HD22 ASN A 37 -14.855 3.998 9.871 1.00 3.58 H new ATOM 625 N GLY A 38 -15.135 1.726 14.135 1.00 3.05 N ATOM 626 CA GLY A 38 -15.283 1.731 15.574 1.00 3.84 C ATOM 627 C GLY A 38 -14.038 2.262 16.249 1.00 3.87 C ATOM 628 O GLY A 38 -14.112 2.949 17.270 1.00 4.27 O ATOM 0 H GLY A 38 -14.926 0.816 13.725 1.00 3.05 H new ATOM 0 HA2 GLY A 38 -16.140 2.344 15.852 1.00 3.84 H new ATOM 0 HA3 GLY A 38 -15.487 0.719 15.925 1.00 3.84 H new ATOM 632 N LYS A 39 -12.893 1.963 15.655 1.00 3.58 N ATOM 633 CA LYS A 39 -11.609 2.415 16.173 1.00 3.65 C ATOM 634 C LYS A 39 -10.691 2.807 15.021 1.00 3.06 C ATOM 635 O LYS A 39 -10.988 2.533 13.857 1.00 3.00 O ATOM 636 CB LYS A 39 -10.949 1.311 17.006 1.00 3.97 C ATOM 637 CG LYS A 39 -10.611 0.059 16.212 1.00 4.01 C ATOM 638 CD LYS A 39 -9.892 -0.971 17.067 1.00 4.09 C ATOM 639 CE LYS A 39 -9.574 -2.224 16.272 1.00 4.30 C ATOM 640 NZ LYS A 39 -8.875 -3.245 17.097 1.00 4.81 N ATOM 0 H LYS A 39 -12.826 1.403 14.805 1.00 3.58 H new ATOM 0 HA LYS A 39 -11.779 3.283 16.810 1.00 3.65 H new ATOM 0 HB2 LYS A 39 -10.036 1.704 17.453 1.00 3.97 H new ATOM 0 HB3 LYS A 39 -11.615 1.041 17.826 1.00 3.97 H new ATOM 0 HG2 LYS A 39 -11.526 -0.376 15.811 1.00 4.01 H new ATOM 0 HG3 LYS A 39 -9.985 0.326 15.360 1.00 4.01 H new ATOM 0 HD2 LYS A 39 -8.969 -0.542 17.458 1.00 4.09 H new ATOM 0 HD3 LYS A 39 -10.512 -1.230 17.926 1.00 4.09 H new ATOM 0 HE2 LYS A 39 -10.498 -2.647 15.878 1.00 4.30 H new ATOM 0 HE3 LYS A 39 -8.952 -1.962 15.416 1.00 4.30 H new ATOM 0 HZ1 LYS A 39 -8.616 -4.056 16.500 1.00 4.81 H new ATOM 0 HZ2 LYS A 39 -8.015 -2.829 17.508 1.00 4.81 H new ATOM 0 HZ3 LYS A 39 -9.504 -3.564 17.861 1.00 4.81 H new ATOM 654 N THR A 40 -9.590 3.464 15.345 1.00 2.83 N ATOM 655 CA THR A 40 -8.588 3.790 14.352 1.00 2.37 C ATOM 656 C THR A 40 -7.595 2.637 14.240 1.00 1.60 C ATOM 657 O THR A 40 -6.969 2.238 15.226 1.00 2.02 O ATOM 658 CB THR A 40 -7.864 5.124 14.681 1.00 2.76 C ATOM 659 OG1 THR A 40 -6.845 5.401 13.709 1.00 2.97 O ATOM 660 CG2 THR A 40 -7.247 5.103 16.074 1.00 3.08 C ATOM 0 H THR A 40 -9.370 3.781 16.289 1.00 2.83 H new ATOM 0 HA THR A 40 -9.083 3.932 13.391 1.00 2.37 H new ATOM 0 HB THR A 40 -8.616 5.912 14.652 1.00 2.76 H new ATOM 0 HG1 THR A 40 -6.401 6.246 13.932 1.00 2.97 H new ATOM 0 HG21 THR A 40 -6.750 6.054 16.266 1.00 3.08 H new ATOM 0 HG22 THR A 40 -8.030 4.946 16.816 1.00 3.08 H new ATOM 0 HG23 THR A 40 -6.519 4.294 16.137 1.00 3.08 H new ATOM 668 N GLY A 41 -7.476 2.078 13.049 1.00 1.15 N ATOM 669 CA GLY A 41 -6.645 0.914 12.870 1.00 0.83 C ATOM 670 C GLY A 41 -5.275 1.265 12.345 1.00 0.61 C ATOM 671 O GLY A 41 -5.126 2.180 11.537 1.00 0.62 O ATOM 0 H GLY A 41 -7.941 2.410 12.204 1.00 1.15 H new ATOM 0 HA2 GLY A 41 -6.544 0.392 13.822 1.00 0.83 H new ATOM 0 HA3 GLY A 41 -7.131 0.226 12.179 1.00 0.83 H new ATOM 675 N ARG A 42 -4.275 0.532 12.788 1.00 0.52 N ATOM 676 CA ARG A 42 -2.916 0.764 12.366 1.00 0.51 C ATOM 677 C ARG A 42 -2.296 -0.551 11.910 1.00 0.47 C ATOM 678 O ARG A 42 -2.289 -1.534 12.656 1.00 0.61 O ATOM 679 CB ARG A 42 -2.117 1.364 13.523 1.00 0.76 C ATOM 680 CG ARG A 42 -0.694 1.729 13.161 1.00 1.24 C ATOM 681 CD ARG A 42 -0.636 2.906 12.198 1.00 1.30 C ATOM 682 NE ARG A 42 0.729 3.389 12.020 1.00 1.86 N ATOM 683 CZ ARG A 42 1.049 4.613 11.597 1.00 2.34 C ATOM 684 NH1 ARG A 42 0.105 5.455 11.198 1.00 2.55 N ATOM 685 NH2 ARG A 42 2.324 4.980 11.553 1.00 3.13 N ATOM 0 H ARG A 42 -4.384 -0.238 13.448 1.00 0.52 H new ATOM 0 HA ARG A 42 -2.902 1.466 11.532 1.00 0.51 H new ATOM 0 HB2 ARG A 42 -2.630 2.256 13.882 1.00 0.76 H new ATOM 0 HB3 ARG A 42 -2.100 0.652 14.348 1.00 0.76 H new ATOM 0 HG2 ARG A 42 -0.141 1.974 14.067 1.00 1.24 H new ATOM 0 HG3 ARG A 42 -0.202 0.867 12.711 1.00 1.24 H new ATOM 0 HD2 ARG A 42 -1.045 2.607 11.233 1.00 1.30 H new ATOM 0 HD3 ARG A 42 -1.263 3.715 12.574 1.00 1.30 H new ATOM 0 HE ARG A 42 1.492 2.746 12.234 1.00 1.86 H new ATOM 0 HH11 ARG A 42 -0.874 5.168 11.213 1.00 2.55 H new ATOM 0 HH12 ARG A 42 0.358 6.389 10.876 1.00 2.55 H new ATOM 0 HH21 ARG A 42 3.053 4.327 11.842 1.00 3.13 H new ATOM 0 HH22 ARG A 42 2.575 5.915 11.230 1.00 3.13 H new ATOM 699 N GLY A 43 -1.777 -0.563 10.696 1.00 0.40 N ATOM 700 CA GLY A 43 -1.220 -1.777 10.139 1.00 0.43 C ATOM 701 C GLY A 43 0.164 -1.541 9.588 1.00 0.38 C ATOM 702 O GLY A 43 0.413 -0.521 8.955 1.00 0.39 O ATOM 0 H GLY A 43 -1.731 0.250 10.082 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -1.181 -2.548 10.908 1.00 0.43 H new ATOM 0 HA3 GLY A 43 -1.871 -2.149 9.347 1.00 0.43 H new ATOM 706 N ALA A 44 1.065 -2.477 9.824 1.00 0.38 N ATOM 707 CA ALA A 44 2.442 -2.315 9.402 1.00 0.39 C ATOM 708 C ALA A 44 2.939 -3.546 8.658 1.00 0.44 C ATOM 709 O ALA A 44 2.865 -4.670 9.162 1.00 0.53 O ATOM 710 CB ALA A 44 3.323 -2.025 10.606 1.00 0.46 C ATOM 0 H ALA A 44 0.868 -3.355 10.304 1.00 0.38 H new ATOM 0 HA ALA A 44 2.493 -1.471 8.714 1.00 0.39 H new ATOM 0 HB1 ALA A 44 4.356 -1.905 10.280 1.00 0.46 H new ATOM 0 HB2 ALA A 44 2.986 -1.109 11.091 1.00 0.46 H new ATOM 0 HB3 ALA A 44 3.259 -2.853 11.312 1.00 0.46 H new ATOM 716 N VAL A 45 3.431 -3.322 7.450 1.00 0.45 N ATOM 717 CA VAL A 45 3.943 -4.387 6.601 1.00 0.54 C ATOM 718 C VAL A 45 5.392 -4.095 6.219 1.00 0.47 C ATOM 719 O VAL A 45 5.786 -2.936 6.095 1.00 0.49 O ATOM 720 CB VAL A 45 3.093 -4.524 5.317 1.00 0.70 C ATOM 721 CG1 VAL A 45 3.515 -5.742 4.505 1.00 1.21 C ATOM 722 CG2 VAL A 45 1.611 -4.593 5.657 1.00 1.50 C ATOM 0 H VAL A 45 3.487 -2.395 7.029 1.00 0.45 H new ATOM 0 HA VAL A 45 3.890 -5.322 7.158 1.00 0.54 H new ATOM 0 HB VAL A 45 3.265 -3.638 4.706 1.00 0.70 H new ATOM 0 HG11 VAL A 45 2.900 -5.812 3.608 1.00 1.21 H new ATOM 0 HG12 VAL A 45 4.562 -5.644 4.220 1.00 1.21 H new ATOM 0 HG13 VAL A 45 3.385 -6.642 5.105 1.00 1.21 H new ATOM 0 HG21 VAL A 45 1.031 -4.689 4.739 1.00 1.50 H new ATOM 0 HG22 VAL A 45 1.424 -5.456 6.296 1.00 1.50 H new ATOM 0 HG23 VAL A 45 1.315 -3.683 6.180 1.00 1.50 H new ATOM 732 N SER A 46 6.183 -5.143 6.058 1.00 0.51 N ATOM 733 CA SER A 46 7.576 -4.994 5.671 1.00 0.62 C ATOM 734 C SER A 46 7.696 -4.570 4.206 1.00 0.74 C ATOM 735 O SER A 46 6.864 -4.945 3.381 1.00 1.13 O ATOM 736 CB SER A 46 8.318 -6.309 5.904 1.00 0.78 C ATOM 737 OG SER A 46 8.116 -6.771 7.228 1.00 1.26 O ATOM 0 H SER A 46 5.883 -6.109 6.190 1.00 0.51 H new ATOM 0 HA SER A 46 8.025 -4.213 6.284 1.00 0.62 H new ATOM 0 HB2 SER A 46 7.969 -7.060 5.195 1.00 0.78 H new ATOM 0 HB3 SER A 46 9.383 -6.168 5.721 1.00 0.78 H new ATOM 0 HG SER A 46 8.598 -7.615 7.357 1.00 1.26 H new ATOM 743 N GLU A 47 8.741 -3.810 3.899 1.00 0.64 N ATOM 744 CA GLU A 47 8.890 -3.156 2.597 1.00 0.78 C ATOM 745 C GLU A 47 8.802 -4.133 1.421 1.00 0.69 C ATOM 746 O GLU A 47 7.902 -4.031 0.584 1.00 0.81 O ATOM 747 CB GLU A 47 10.224 -2.406 2.560 1.00 1.15 C ATOM 748 CG GLU A 47 11.396 -3.250 3.033 1.00 1.53 C ATOM 749 CD GLU A 47 12.735 -2.570 2.846 1.00 1.83 C ATOM 750 OE1 GLU A 47 12.959 -1.981 1.769 1.00 2.01 O ATOM 751 OE2 GLU A 47 13.581 -2.648 3.759 1.00 2.34 O ATOM 0 H GLU A 47 9.511 -3.628 4.543 1.00 0.64 H new ATOM 0 HA GLU A 47 8.058 -2.461 2.484 1.00 0.78 H new ATOM 0 HB2 GLU A 47 10.415 -2.067 1.542 1.00 1.15 H new ATOM 0 HB3 GLU A 47 10.150 -1.515 3.184 1.00 1.15 H new ATOM 0 HG2 GLU A 47 11.261 -3.488 4.088 1.00 1.53 H new ATOM 0 HG3 GLU A 47 11.397 -4.195 2.490 1.00 1.53 H new ATOM 758 N LYS A 48 9.730 -5.075 1.359 1.00 0.67 N ATOM 759 CA LYS A 48 9.820 -5.992 0.233 1.00 0.76 C ATOM 760 C LYS A 48 8.653 -6.975 0.193 1.00 0.70 C ATOM 761 O LYS A 48 8.275 -7.460 -0.871 1.00 0.83 O ATOM 762 CB LYS A 48 11.146 -6.750 0.284 1.00 0.93 C ATOM 763 CG LYS A 48 11.374 -7.505 1.584 1.00 1.63 C ATOM 764 CD LYS A 48 12.711 -8.221 1.581 1.00 2.06 C ATOM 765 CE LYS A 48 12.902 -9.030 2.852 1.00 2.59 C ATOM 766 NZ LYS A 48 11.834 -10.050 3.021 1.00 3.35 N ATOM 0 H LYS A 48 10.436 -5.225 2.080 1.00 0.67 H new ATOM 0 HA LYS A 48 9.772 -5.397 -0.679 1.00 0.76 H new ATOM 0 HB2 LYS A 48 11.182 -7.456 -0.546 1.00 0.93 H new ATOM 0 HB3 LYS A 48 11.963 -6.044 0.137 1.00 0.93 H new ATOM 0 HG2 LYS A 48 11.334 -6.809 2.422 1.00 1.63 H new ATOM 0 HG3 LYS A 48 10.572 -8.229 1.732 1.00 1.63 H new ATOM 0 HD2 LYS A 48 12.772 -8.880 0.715 1.00 2.06 H new ATOM 0 HD3 LYS A 48 13.517 -7.493 1.485 1.00 2.06 H new ATOM 0 HE2 LYS A 48 13.874 -9.522 2.827 1.00 2.59 H new ATOM 0 HE3 LYS A 48 12.905 -8.361 3.712 1.00 2.59 H new ATOM 0 HZ1 LYS A 48 12.194 -10.837 3.597 1.00 3.35 H new ATOM 0 HZ2 LYS A 48 11.015 -9.620 3.496 1.00 3.35 H new ATOM 0 HZ3 LYS A 48 11.545 -10.408 2.088 1.00 3.35 H new ATOM 780 N ASP A 49 8.084 -7.267 1.351 1.00 0.59 N ATOM 781 CA ASP A 49 7.010 -8.250 1.431 1.00 0.65 C ATOM 782 C ASP A 49 5.631 -7.625 1.233 1.00 0.66 C ATOM 783 O ASP A 49 4.625 -8.333 1.229 1.00 0.72 O ATOM 784 CB ASP A 49 7.071 -8.989 2.773 1.00 0.68 C ATOM 785 CG ASP A 49 8.349 -9.793 2.939 1.00 1.28 C ATOM 786 OD1 ASP A 49 8.401 -10.950 2.464 1.00 1.27 O ATOM 787 OD2 ASP A 49 9.313 -9.277 3.549 1.00 2.22 O ATOM 0 H ASP A 49 8.343 -6.843 2.242 1.00 0.59 H new ATOM 0 HA ASP A 49 7.159 -8.959 0.617 1.00 0.65 H new ATOM 0 HB2 ASP A 49 6.992 -8.267 3.585 1.00 0.68 H new ATOM 0 HB3 ASP A 49 6.213 -9.656 2.856 1.00 0.68 H new ATOM 792 N ALA A 50 5.573 -6.311 1.041 1.00 0.69 N ATOM 793 CA ALA A 50 4.306 -5.642 0.761 1.00 0.72 C ATOM 794 C ALA A 50 3.885 -5.881 -0.692 1.00 0.70 C ATOM 795 O ALA A 50 4.719 -5.826 -1.595 1.00 0.79 O ATOM 796 CB ALA A 50 4.415 -4.152 1.051 1.00 0.87 C ATOM 0 H ALA A 50 6.382 -5.691 1.074 1.00 0.69 H new ATOM 0 HA ALA A 50 3.540 -6.062 1.413 1.00 0.72 H new ATOM 0 HB1 ALA A 50 3.462 -3.669 0.837 1.00 0.87 H new ATOM 0 HB2 ALA A 50 4.669 -4.003 2.100 1.00 0.87 H new ATOM 0 HB3 ALA A 50 5.192 -3.715 0.424 1.00 0.87 H new ATOM 802 N PRO A 51 2.597 -6.157 -0.934 1.00 0.65 N ATOM 803 CA PRO A 51 2.092 -6.454 -2.276 1.00 0.70 C ATOM 804 C PRO A 51 1.713 -5.203 -3.078 1.00 0.72 C ATOM 805 O PRO A 51 0.866 -4.434 -2.648 1.00 1.01 O ATOM 806 CB PRO A 51 0.857 -7.302 -1.982 1.00 0.72 C ATOM 807 CG PRO A 51 0.355 -6.820 -0.658 1.00 0.73 C ATOM 808 CD PRO A 51 1.531 -6.223 0.079 1.00 0.64 C ATOM 0 HA PRO A 51 2.844 -6.943 -2.895 1.00 0.70 H new ATOM 0 HB2 PRO A 51 0.101 -7.179 -2.758 1.00 0.72 H new ATOM 0 HB3 PRO A 51 1.107 -8.362 -1.946 1.00 0.72 H new ATOM 0 HG2 PRO A 51 -0.431 -6.077 -0.793 1.00 0.73 H new ATOM 0 HG3 PRO A 51 -0.078 -7.643 -0.089 1.00 0.73 H new ATOM 0 HD2 PRO A 51 1.294 -5.235 0.473 1.00 0.64 H new ATOM 0 HD3 PRO A 51 1.825 -6.842 0.927 1.00 0.64 H new ATOM 816 N LYS A 52 2.412 -5.011 -4.209 1.00 0.61 N ATOM 817 CA LYS A 52 2.142 -3.976 -5.238 1.00 0.70 C ATOM 818 C LYS A 52 1.044 -2.960 -4.895 1.00 0.60 C ATOM 819 O LYS A 52 1.341 -1.798 -4.683 1.00 0.70 O ATOM 820 CB LYS A 52 1.833 -4.615 -6.592 1.00 1.04 C ATOM 821 CG LYS A 52 1.529 -3.577 -7.658 1.00 1.38 C ATOM 822 CD LYS A 52 1.515 -4.162 -9.055 1.00 2.01 C ATOM 823 CE LYS A 52 1.208 -3.087 -10.086 1.00 2.22 C ATOM 824 NZ LYS A 52 2.061 -1.881 -9.901 1.00 2.97 N ATOM 0 H LYS A 52 3.215 -5.593 -4.447 1.00 0.61 H new ATOM 0 HA LYS A 52 3.069 -3.405 -5.277 1.00 0.70 H new ATOM 0 HB2 LYS A 52 2.682 -5.221 -6.908 1.00 1.04 H new ATOM 0 HB3 LYS A 52 0.982 -5.288 -6.489 1.00 1.04 H new ATOM 0 HG2 LYS A 52 0.561 -3.121 -7.450 1.00 1.38 H new ATOM 0 HG3 LYS A 52 2.273 -2.782 -7.609 1.00 1.38 H new ATOM 0 HD2 LYS A 52 2.481 -4.617 -9.274 1.00 2.01 H new ATOM 0 HD3 LYS A 52 0.769 -4.954 -9.115 1.00 2.01 H new ATOM 0 HE2 LYS A 52 1.361 -3.490 -11.087 1.00 2.22 H new ATOM 0 HE3 LYS A 52 0.158 -2.804 -10.013 1.00 2.22 H new ATOM 0 HZ1 LYS A 52 2.037 -1.303 -10.765 1.00 2.97 H new ATOM 0 HZ2 LYS A 52 1.703 -1.322 -9.100 1.00 2.97 H new ATOM 0 HZ3 LYS A 52 3.040 -2.174 -9.708 1.00 2.97 H new ATOM 838 N GLU A 53 -0.222 -3.385 -4.925 1.00 0.67 N ATOM 839 CA GLU A 53 -1.357 -2.496 -4.626 1.00 0.82 C ATOM 840 C GLU A 53 -1.157 -1.653 -3.361 1.00 0.80 C ATOM 841 O GLU A 53 -1.651 -0.530 -3.275 1.00 1.00 O ATOM 842 CB GLU A 53 -2.636 -3.318 -4.503 1.00 1.09 C ATOM 843 CG GLU A 53 -3.234 -3.721 -5.840 1.00 1.69 C ATOM 844 CD GLU A 53 -4.010 -2.594 -6.484 1.00 2.07 C ATOM 845 OE1 GLU A 53 -3.386 -1.663 -7.026 1.00 2.33 O ATOM 846 OE2 GLU A 53 -5.260 -2.631 -6.441 1.00 2.77 O ATOM 0 H GLU A 53 -0.491 -4.342 -5.154 1.00 0.67 H new ATOM 0 HA GLU A 53 -1.431 -1.795 -5.457 1.00 0.82 H new ATOM 0 HB2 GLU A 53 -2.425 -4.217 -3.924 1.00 1.09 H new ATOM 0 HB3 GLU A 53 -3.374 -2.744 -3.943 1.00 1.09 H new ATOM 0 HG2 GLU A 53 -2.436 -4.040 -6.511 1.00 1.69 H new ATOM 0 HG3 GLU A 53 -3.893 -4.578 -5.698 1.00 1.69 H new ATOM 853 N LEU A 54 -0.426 -2.191 -2.398 1.00 0.69 N ATOM 854 CA LEU A 54 -0.109 -1.472 -1.170 1.00 0.74 C ATOM 855 C LEU A 54 1.125 -0.607 -1.409 1.00 0.78 C ATOM 856 O LEU A 54 1.228 0.510 -0.902 1.00 1.15 O ATOM 857 CB LEU A 54 0.138 -2.489 -0.041 1.00 0.78 C ATOM 858 CG LEU A 54 0.240 -1.929 1.387 1.00 0.83 C ATOM 859 CD1 LEU A 54 0.024 -3.045 2.396 1.00 1.34 C ATOM 860 CD2 LEU A 54 1.592 -1.272 1.639 1.00 1.82 C ATOM 0 H LEU A 54 -0.037 -3.133 -2.443 1.00 0.69 H new ATOM 0 HA LEU A 54 -0.937 -0.826 -0.878 1.00 0.74 H new ATOM 0 HB2 LEU A 54 -0.669 -3.222 -0.062 1.00 0.78 H new ATOM 0 HB3 LEU A 54 1.061 -3.025 -0.262 1.00 0.78 H new ATOM 0 HG LEU A 54 -0.533 -1.169 1.501 1.00 0.83 H new ATOM 0 HD11 LEU A 54 0.098 -2.642 3.406 1.00 1.34 H new ATOM 0 HD12 LEU A 54 -0.964 -3.481 2.250 1.00 1.34 H new ATOM 0 HD13 LEU A 54 0.784 -3.814 2.256 1.00 1.34 H new ATOM 0 HD21 LEU A 54 1.626 -0.888 2.659 1.00 1.82 H new ATOM 0 HD22 LEU A 54 2.385 -2.007 1.501 1.00 1.82 H new ATOM 0 HD23 LEU A 54 1.733 -0.450 0.937 1.00 1.82 H new ATOM 872 N LEU A 55 2.039 -1.123 -2.219 1.00 0.63 N ATOM 873 CA LEU A 55 3.241 -0.392 -2.587 1.00 0.65 C ATOM 874 C LEU A 55 2.916 0.832 -3.450 1.00 0.66 C ATOM 875 O LEU A 55 3.552 1.876 -3.308 1.00 0.76 O ATOM 876 CB LEU A 55 4.216 -1.302 -3.339 1.00 0.68 C ATOM 877 CG LEU A 55 4.886 -2.383 -2.492 1.00 0.99 C ATOM 878 CD1 LEU A 55 5.795 -3.248 -3.351 1.00 1.18 C ATOM 879 CD2 LEU A 55 5.678 -1.747 -1.358 1.00 1.87 C ATOM 0 H LEU A 55 1.969 -2.051 -2.636 1.00 0.63 H new ATOM 0 HA LEU A 55 3.705 -0.048 -1.663 1.00 0.65 H new ATOM 0 HB2 LEU A 55 3.680 -1.784 -4.156 1.00 0.68 H new ATOM 0 HB3 LEU A 55 4.992 -0.683 -3.788 1.00 0.68 H new ATOM 0 HG LEU A 55 4.110 -3.018 -2.065 1.00 0.99 H new ATOM 0 HD11 LEU A 55 6.263 -4.012 -2.730 1.00 1.18 H new ATOM 0 HD12 LEU A 55 5.208 -3.727 -4.135 1.00 1.18 H new ATOM 0 HD13 LEU A 55 6.567 -2.626 -3.805 1.00 1.18 H new ATOM 0 HD21 LEU A 55 6.151 -2.528 -0.762 1.00 1.87 H new ATOM 0 HD22 LEU A 55 6.445 -1.092 -1.772 1.00 1.87 H new ATOM 0 HD23 LEU A 55 5.006 -1.165 -0.727 1.00 1.87 H new ATOM 891 N ASP A 56 1.923 0.712 -4.331 1.00 0.64 N ATOM 892 CA ASP A 56 1.504 1.829 -5.178 1.00 0.69 C ATOM 893 C ASP A 56 0.716 2.860 -4.383 1.00 0.76 C ATOM 894 O ASP A 56 0.436 3.952 -4.876 1.00 0.90 O ATOM 895 CB ASP A 56 0.655 1.331 -6.357 1.00 0.79 C ATOM 896 CG ASP A 56 1.491 0.894 -7.546 1.00 1.12 C ATOM 897 OD1 ASP A 56 1.899 1.756 -8.352 1.00 1.59 O ATOM 898 OD2 ASP A 56 1.747 -0.324 -7.679 1.00 1.33 O ATOM 0 H ASP A 56 1.394 -0.148 -4.477 1.00 0.64 H new ATOM 0 HA ASP A 56 2.408 2.302 -5.563 1.00 0.69 H new ATOM 0 HB2 ASP A 56 0.039 0.495 -6.026 1.00 0.79 H new ATOM 0 HB3 ASP A 56 -0.024 2.124 -6.669 1.00 0.79 H new ATOM 903 N MET A 57 0.342 2.511 -3.156 1.00 0.75 N ATOM 904 CA MET A 57 -0.301 3.468 -2.264 1.00 0.87 C ATOM 905 C MET A 57 0.745 4.429 -1.724 1.00 0.95 C ATOM 906 O MET A 57 0.427 5.506 -1.221 1.00 1.44 O ATOM 907 CB MET A 57 -1.027 2.768 -1.112 1.00 0.97 C ATOM 908 CG MET A 57 -2.233 1.952 -1.550 1.00 1.08 C ATOM 909 SD MET A 57 -3.484 2.948 -2.392 1.00 1.54 S ATOM 910 CE MET A 57 -3.885 4.147 -1.121 1.00 2.05 C ATOM 0 H MET A 57 0.472 1.580 -2.760 1.00 0.75 H new ATOM 0 HA MET A 57 -1.051 4.019 -2.832 1.00 0.87 H new ATOM 0 HB2 MET A 57 -0.324 2.112 -0.597 1.00 0.97 H new ATOM 0 HB3 MET A 57 -1.351 3.518 -0.390 1.00 0.97 H new ATOM 0 HG2 MET A 57 -1.904 1.153 -2.214 1.00 1.08 H new ATOM 0 HG3 MET A 57 -2.681 1.477 -0.677 1.00 1.08 H new ATOM 0 HE1 MET A 57 -4.949 4.382 -1.165 1.00 2.05 H new ATOM 0 HE2 MET A 57 -3.644 3.733 -0.142 1.00 2.05 H new ATOM 0 HE3 MET A 57 -3.306 5.056 -1.283 1.00 2.05 H new ATOM 920 N LEU A 58 2.003 4.025 -1.842 1.00 0.84 N ATOM 921 CA LEU A 58 3.116 4.895 -1.530 1.00 0.89 C ATOM 922 C LEU A 58 3.441 5.743 -2.757 1.00 0.97 C ATOM 923 O LEU A 58 2.580 6.453 -3.263 1.00 1.36 O ATOM 924 CB LEU A 58 4.335 4.081 -1.079 1.00 0.97 C ATOM 925 CG LEU A 58 4.244 3.493 0.333 1.00 0.87 C ATOM 926 CD1 LEU A 58 5.375 2.505 0.573 1.00 1.63 C ATOM 927 CD2 LEU A 58 4.284 4.603 1.372 1.00 1.59 C ATOM 0 H LEU A 58 2.273 3.092 -2.154 1.00 0.84 H new ATOM 0 HA LEU A 58 2.844 5.552 -0.704 1.00 0.89 H new ATOM 0 HB2 LEU A 58 4.488 3.265 -1.785 1.00 0.97 H new ATOM 0 HB3 LEU A 58 5.217 4.719 -1.133 1.00 0.97 H new ATOM 0 HG LEU A 58 3.296 2.963 0.425 1.00 0.87 H new ATOM 0 HD11 LEU A 58 5.294 2.097 1.581 1.00 1.63 H new ATOM 0 HD12 LEU A 58 5.310 1.694 -0.153 1.00 1.63 H new ATOM 0 HD13 LEU A 58 6.332 3.014 0.463 1.00 1.63 H new ATOM 0 HD21 LEU A 58 4.218 4.170 2.370 1.00 1.59 H new ATOM 0 HD22 LEU A 58 5.218 5.156 1.277 1.00 1.59 H new ATOM 0 HD23 LEU A 58 3.444 5.279 1.214 1.00 1.59 H new ATOM 939 N ALA A 59 4.668 5.612 -3.255 1.00 0.84 N ATOM 940 CA ALA A 59 5.140 6.348 -4.436 1.00 0.93 C ATOM 941 C ALA A 59 4.841 7.855 -4.373 1.00 0.99 C ATOM 942 O ALA A 59 4.820 8.530 -5.398 1.00 1.11 O ATOM 943 CB ALA A 59 4.545 5.743 -5.701 1.00 1.07 C ATOM 0 H ALA A 59 5.370 4.991 -2.852 1.00 0.84 H new ATOM 0 HA ALA A 59 6.225 6.250 -4.453 1.00 0.93 H new ATOM 0 HB1 ALA A 59 4.901 6.295 -6.571 1.00 1.07 H new ATOM 0 HB2 ALA A 59 4.850 4.700 -5.784 1.00 1.07 H new ATOM 0 HB3 ALA A 59 3.457 5.800 -5.655 1.00 1.07 H new ATOM 949 N ARG A 60 4.631 8.376 -3.171 1.00 1.13 N ATOM 950 CA ARG A 60 4.442 9.814 -2.978 1.00 1.40 C ATOM 951 C ARG A 60 5.095 10.250 -1.679 1.00 1.53 C ATOM 952 O ARG A 60 5.573 11.380 -1.563 1.00 1.94 O ATOM 953 CB ARG A 60 2.955 10.220 -2.957 1.00 1.59 C ATOM 954 CG ARG A 60 2.260 10.188 -4.315 1.00 1.74 C ATOM 955 CD ARG A 60 1.569 8.857 -4.559 1.00 1.93 C ATOM 956 NE ARG A 60 0.928 8.781 -5.871 1.00 2.28 N ATOM 957 CZ ARG A 60 0.740 7.642 -6.533 1.00 2.83 C ATOM 958 NH1 ARG A 60 1.149 6.491 -6.007 1.00 3.12 N ATOM 959 NH2 ARG A 60 0.139 7.649 -7.712 1.00 3.60 N ATOM 0 H ARG A 60 4.587 7.827 -2.313 1.00 1.13 H new ATOM 0 HA ARG A 60 4.909 10.312 -3.828 1.00 1.40 H new ATOM 0 HB2 ARG A 60 2.422 9.556 -2.277 1.00 1.59 H new ATOM 0 HB3 ARG A 60 2.874 11.227 -2.548 1.00 1.59 H new ATOM 0 HG2 ARG A 60 1.528 10.994 -4.369 1.00 1.74 H new ATOM 0 HG3 ARG A 60 2.991 10.369 -5.103 1.00 1.74 H new ATOM 0 HD2 ARG A 60 2.299 8.053 -4.470 1.00 1.93 H new ATOM 0 HD3 ARG A 60 0.820 8.695 -3.784 1.00 1.93 H new ATOM 0 HE ARG A 60 0.608 9.648 -6.302 1.00 2.28 H new ATOM 0 HH11 ARG A 60 1.607 6.481 -5.096 1.00 3.12 H new ATOM 0 HH12 ARG A 60 1.005 5.618 -6.515 1.00 3.12 H new ATOM 0 HH21 ARG A 60 -0.182 8.529 -8.116 1.00 3.60 H new ATOM 0 HH22 ARG A 60 -0.004 6.774 -8.217 1.00 3.60 H new ATOM 973 N ALA A 61 5.147 9.355 -0.701 1.00 1.52 N ATOM 974 CA ALA A 61 5.867 9.636 0.525 1.00 1.79 C ATOM 975 C ALA A 61 7.344 9.367 0.305 1.00 1.71 C ATOM 976 O ALA A 61 8.166 10.273 0.376 1.00 2.10 O ATOM 977 CB ALA A 61 5.333 8.791 1.669 1.00 1.95 C ATOM 0 H ALA A 61 4.702 8.438 -0.735 1.00 1.52 H new ATOM 0 HA ALA A 61 5.726 10.683 0.794 1.00 1.79 H new ATOM 0 HB1 ALA A 61 5.888 9.018 2.579 1.00 1.95 H new ATOM 0 HB2 ALA A 61 4.277 9.013 1.823 1.00 1.95 H new ATOM 0 HB3 ALA A 61 5.450 7.735 1.427 1.00 1.95 H new ATOM 983 N GLU A 62 7.665 8.121 -0.006 1.00 1.51 N ATOM 984 CA GLU A 62 9.033 7.747 -0.329 1.00 1.64 C ATOM 985 C GLU A 62 9.287 7.877 -1.826 1.00 1.93 C ATOM 986 O GLU A 62 9.546 6.887 -2.512 1.00 2.42 O ATOM 987 CB GLU A 62 9.355 6.330 0.148 1.00 1.89 C ATOM 988 CG GLU A 62 9.384 6.201 1.659 1.00 2.14 C ATOM 989 CD GLU A 62 10.242 5.047 2.126 1.00 2.57 C ATOM 990 OE1 GLU A 62 11.470 5.084 1.917 1.00 2.98 O ATOM 991 OE2 GLU A 62 9.681 4.086 2.691 1.00 2.91 O ATOM 0 H GLU A 62 6.997 7.351 -0.042 1.00 1.51 H new ATOM 0 HA GLU A 62 9.695 8.434 0.198 1.00 1.64 H new ATOM 0 HB2 GLU A 62 8.613 5.640 -0.255 1.00 1.89 H new ATOM 0 HB3 GLU A 62 10.322 6.029 -0.255 1.00 1.89 H new ATOM 0 HG2 GLU A 62 9.760 7.128 2.092 1.00 2.14 H new ATOM 0 HG3 GLU A 62 8.367 6.066 2.028 1.00 2.14 H new ATOM 998 N ARG A 63 9.170 9.094 -2.337 1.00 2.16 N ATOM 999 CA ARG A 63 9.458 9.377 -3.736 1.00 2.69 C ATOM 1000 C ARG A 63 9.643 10.877 -3.905 1.00 2.85 C ATOM 1001 O ARG A 63 10.728 11.345 -4.253 1.00 3.26 O ATOM 1002 CB ARG A 63 8.341 8.873 -4.661 1.00 3.11 C ATOM 1003 CG ARG A 63 8.706 8.970 -6.133 1.00 3.13 C ATOM 1004 CD ARG A 63 7.599 8.454 -7.040 1.00 3.11 C ATOM 1005 NE ARG A 63 8.044 8.381 -8.433 1.00 2.92 N ATOM 1006 CZ ARG A 63 7.233 8.256 -9.484 1.00 3.14 C ATOM 1007 NH1 ARG A 63 5.916 8.235 -9.325 1.00 3.60 N ATOM 1008 NH2 ARG A 63 7.744 8.161 -10.704 1.00 3.44 N ATOM 0 H ARG A 63 8.875 9.908 -1.798 1.00 2.16 H new ATOM 0 HA ARG A 63 10.370 8.851 -4.017 1.00 2.69 H new ATOM 0 HB2 ARG A 63 8.113 7.836 -4.416 1.00 3.11 H new ATOM 0 HB3 ARG A 63 7.435 9.451 -4.477 1.00 3.11 H new ATOM 0 HG2 ARG A 63 8.923 10.009 -6.383 1.00 3.13 H new ATOM 0 HG3 ARG A 63 9.617 8.401 -6.317 1.00 3.13 H new ATOM 0 HD2 ARG A 63 7.282 7.466 -6.705 1.00 3.11 H new ATOM 0 HD3 ARG A 63 6.731 9.109 -6.967 1.00 3.11 H new ATOM 0 HE ARG A 63 9.047 8.429 -8.612 1.00 2.92 H new ATOM 0 HH11 ARG A 63 5.514 8.315 -8.391 1.00 3.60 H new ATOM 0 HH12 ARG A 63 5.306 8.139 -10.137 1.00 3.60 H new ATOM 0 HH21 ARG A 63 8.755 8.184 -10.837 1.00 3.44 H new ATOM 0 HH22 ARG A 63 7.126 8.065 -11.510 1.00 3.44 H new ATOM 1022 N GLU A 64 8.575 11.628 -3.648 1.00 2.76 N ATOM 1023 CA GLU A 64 8.654 13.081 -3.621 1.00 3.00 C ATOM 1024 C GLU A 64 9.398 13.516 -2.366 1.00 3.08 C ATOM 1025 O GLU A 64 10.377 14.255 -2.429 1.00 3.72 O ATOM 1026 CB GLU A 64 7.256 13.703 -3.638 1.00 2.97 C ATOM 1027 CG GLU A 64 6.410 13.292 -4.829 1.00 3.43 C ATOM 1028 CD GLU A 64 5.089 14.029 -4.873 1.00 3.74 C ATOM 1029 OE1 GLU A 64 4.144 13.605 -4.176 1.00 4.00 O ATOM 1030 OE2 GLU A 64 4.994 15.044 -5.594 1.00 4.07 O ATOM 0 H GLU A 64 7.646 11.252 -3.456 1.00 2.76 H new ATOM 0 HA GLU A 64 9.189 13.422 -4.507 1.00 3.00 H new ATOM 0 HB2 GLU A 64 6.735 13.424 -2.722 1.00 2.97 H new ATOM 0 HB3 GLU A 64 7.353 14.789 -3.632 1.00 2.97 H new ATOM 0 HG2 GLU A 64 6.962 13.485 -5.749 1.00 3.43 H new ATOM 0 HG3 GLU A 64 6.224 12.219 -4.788 1.00 3.43 H new ATOM 1037 N LYS A 65 8.912 13.048 -1.225 1.00 2.73 N ATOM 1038 CA LYS A 65 9.594 13.261 0.041 1.00 2.95 C ATOM 1039 C LYS A 65 10.682 12.203 0.210 1.00 2.86 C ATOM 1040 O LYS A 65 10.807 11.303 -0.625 1.00 3.37 O ATOM 1041 CB LYS A 65 8.590 13.215 1.197 1.00 3.11 C ATOM 1042 CG LYS A 65 7.552 14.327 1.137 1.00 3.54 C ATOM 1043 CD LYS A 65 6.482 14.166 2.207 1.00 3.77 C ATOM 1044 CE LYS A 65 5.553 12.996 1.912 1.00 3.79 C ATOM 1045 NZ LYS A 65 4.777 13.196 0.656 1.00 4.11 N ATOM 0 H LYS A 65 8.045 12.516 -1.152 1.00 2.73 H new ATOM 0 HA LYS A 65 10.061 14.246 0.047 1.00 2.95 H new ATOM 0 HB2 LYS A 65 8.081 12.251 1.189 1.00 3.11 H new ATOM 0 HB3 LYS A 65 9.130 13.282 2.141 1.00 3.11 H new ATOM 0 HG2 LYS A 65 8.046 15.291 1.260 1.00 3.54 H new ATOM 0 HG3 LYS A 65 7.083 14.332 0.153 1.00 3.54 H new ATOM 0 HD2 LYS A 65 6.958 14.016 3.176 1.00 3.77 H new ATOM 0 HD3 LYS A 65 5.898 15.084 2.277 1.00 3.77 H new ATOM 0 HE2 LYS A 65 6.139 12.080 1.833 1.00 3.79 H new ATOM 0 HE3 LYS A 65 4.864 12.863 2.746 1.00 3.79 H new ATOM 0 HZ1 LYS A 65 3.773 12.988 0.831 1.00 4.11 H new ATOM 0 HZ2 LYS A 65 4.876 14.182 0.340 1.00 4.11 H new ATOM 0 HZ3 LYS A 65 5.139 12.558 -0.081 1.00 4.11 H new ATOM 1059 N LYS A 66 11.453 12.291 1.282 1.00 2.75 N ATOM 1060 CA LYS A 66 12.608 11.421 1.451 1.00 2.95 C ATOM 1061 C LYS A 66 12.995 11.313 2.921 1.00 3.53 C ATOM 1062 O LYS A 66 13.172 10.177 3.407 1.00 3.96 O ATOM 1063 CB LYS A 66 13.779 11.934 0.606 1.00 2.95 C ATOM 1064 CG LYS A 66 14.192 13.366 0.924 1.00 3.03 C ATOM 1065 CD LYS A 66 14.668 14.101 -0.319 1.00 3.31 C ATOM 1066 CE LYS A 66 15.813 13.380 -1.013 1.00 3.21 C ATOM 1067 NZ LYS A 66 16.203 14.062 -2.275 1.00 3.29 N ATOM 1068 OXT LYS A 66 13.075 12.360 3.595 1.00 4.01 O ATOM 0 H LYS A 66 11.302 12.952 2.045 1.00 2.75 H new ATOM 0 HA LYS A 66 12.347 10.421 1.106 1.00 2.95 H new ATOM 0 HB2 LYS A 66 14.636 11.278 0.755 1.00 2.95 H new ATOM 0 HB3 LYS A 66 13.509 11.870 -0.448 1.00 2.95 H new ATOM 0 HG2 LYS A 66 13.349 13.900 1.362 1.00 3.03 H new ATOM 0 HG3 LYS A 66 14.987 13.359 1.670 1.00 3.03 H new ATOM 0 HD2 LYS A 66 13.836 14.211 -1.015 1.00 3.31 H new ATOM 0 HD3 LYS A 66 14.988 15.106 -0.044 1.00 3.31 H new ATOM 0 HE2 LYS A 66 16.672 13.332 -0.344 1.00 3.21 H new ATOM 0 HE3 LYS A 66 15.519 12.353 -1.229 1.00 3.21 H new ATOM 0 HZ1 LYS A 66 16.986 13.544 -2.722 1.00 3.29 H new ATOM 0 HZ2 LYS A 66 15.389 14.086 -2.922 1.00 3.29 H new ATOM 0 HZ3 LYS A 66 16.507 15.034 -2.065 1.00 3.29 H new TER 1082 LYS A 66