USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 177:sc= -1.11 (180deg=-1.18) USER MOD Single : A 1 MET N :NH3+ -166:sc= 1.3 (180deg=1.24) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.006 USER MOD Single : A 11 LYS NZ :NH3+ -127:sc= 1.19 (180deg=-0.295) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc=8.36e-05 USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.238 USER MOD Single : A 25 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.0022) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 1.32 (180deg=1.24) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.0173 (180deg=-0.18) USER MOD Single : A 31 GLN : amide:sc= 0.142 X(o=0.14,f=-0.03) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.898 X(o=-0.9,f=-0.44) USER MOD Single : A 41 GLN : amide:sc= -0.275 K(o=-0.27,f=-3.8!) USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= -0.0045 (180deg=-0.0384) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -84:sc= 0.89 USER MOD Single : A 57 SER OG : rot -41:sc= 0.0201 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.705 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.072) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.165 K(o=-0.17,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.551 4.100 -3.331 1.00 9.67 N ATOM 2 CA MET A 1 -12.012 4.218 -1.957 1.00 10.38 C ATOM 3 C MET A 1 -10.639 4.796 -1.978 1.00 9.62 C ATOM 4 O MET A 1 -9.817 4.601 -2.872 1.00 9.62 O ATOM 5 CB MET A 1 -12.027 2.810 -1.338 1.00 13.77 C ATOM 6 CG MET A 1 -11.446 2.478 0.038 1.00 16.29 C ATOM 7 SD MET A 1 -11.557 0.774 0.659 1.00 17.17 S ATOM 8 CE MET A 1 -10.288 0.001 -0.386 1.00 16.11 C ATOM 0 H1 MET A 1 -13.575 3.925 -3.288 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.372 4.983 -3.851 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.085 3.310 -3.820 1.00 9.67 H new ATOM 0 HA MET A 1 -12.621 4.893 -1.357 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.072 2.500 -1.311 1.00 13.77 H new ATOM 0 HB3 MET A 1 -11.519 2.159 -2.049 1.00 13.77 H new ATOM 0 HG2 MET A 1 -10.392 2.754 0.024 1.00 16.29 H new ATOM 0 HG3 MET A 1 -11.936 3.125 0.766 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.176 -1.047 -0.107 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.587 0.068 -1.432 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.338 0.517 -0.247 1.00 16.11 H new ATOM 20 N GLN A 2 -10.416 5.772 -1.080 1.00 9.27 N ATOM 21 CA GLN A 2 -9.172 6.475 -1.047 1.00 9.07 C ATOM 22 C GLN A 2 -8.363 5.739 -0.035 1.00 8.72 C ATOM 23 O GLN A 2 -8.952 5.395 0.989 1.00 8.22 O ATOM 24 CB GLN A 2 -9.414 7.964 -0.744 1.00 14.46 C ATOM 25 CG GLN A 2 -8.158 8.815 -0.550 1.00 17.01 C ATOM 26 CD GLN A 2 -8.662 10.208 -0.202 1.00 20.10 C ATOM 27 OE1 GLN A 2 -9.112 10.474 0.912 1.00 21.89 O ATOM 28 NE2 GLN A 2 -8.591 11.148 -1.182 1.00 19.49 N ATOM 0 H GLN A 2 -11.094 6.073 -0.380 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.634 6.495 -1.995 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.998 8.391 -1.559 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -10.023 8.038 0.157 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -7.531 8.414 0.246 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -7.551 8.832 -1.455 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -8.214 10.903 -2.097 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -8.915 12.098 -1.002 1.00 19.49 H new ATOM 37 N ILE A 3 -7.077 5.474 -0.325 1.00 5.87 N ATOM 38 CA ILE A 3 -6.163 5.029 0.680 1.00 5.07 C ATOM 39 C ILE A 3 -4.990 5.948 0.681 1.00 4.01 C ATOM 40 O ILE A 3 -4.673 6.426 -0.407 1.00 4.61 O ATOM 41 CB ILE A 3 -5.614 3.635 0.612 1.00 6.55 C ATOM 42 CG1 ILE A 3 -4.972 3.304 -0.746 1.00 4.72 C ATOM 43 CG2 ILE A 3 -6.693 2.611 1.004 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.286 1.965 -1.009 1.00 10.83 C ATOM 0 H ILE A 3 -6.670 5.568 -1.256 1.00 5.87 H new ATOM 0 HA ILE A 3 -6.780 5.031 1.578 1.00 5.07 H new ATOM 0 HB ILE A 3 -4.804 3.574 1.338 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -5.754 3.410 -1.498 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.233 4.081 -0.942 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -6.277 1.605 0.949 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.030 2.809 2.021 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -7.537 2.692 0.320 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -3.905 1.946 -2.030 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.459 1.836 -0.310 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.004 1.156 -0.875 1.00 10.83 H new ATOM 56 N PHE A 4 -4.539 6.373 1.875 1.00 4.55 N ATOM 57 CA PHE A 4 -3.283 7.018 2.101 1.00 4.68 C ATOM 58 C PHE A 4 -2.118 6.130 2.369 1.00 5.30 C ATOM 59 O PHE A 4 -2.200 5.166 3.129 1.00 5.58 O ATOM 60 CB PHE A 4 -3.315 8.037 3.253 1.00 4.83 C ATOM 61 CG PHE A 4 -4.555 8.862 3.196 1.00 7.97 C ATOM 62 CD1 PHE A 4 -4.842 9.442 1.983 1.00 6.69 C ATOM 63 CD2 PHE A 4 -5.277 9.161 4.327 1.00 8.34 C ATOM 64 CE1 PHE A 4 -5.755 10.469 1.947 1.00 9.10 C ATOM 65 CE2 PHE A 4 -6.282 10.093 4.214 1.00 10.61 C ATOM 66 CZ PHE A 4 -6.515 10.784 3.049 1.00 8.90 C ATOM 0 H PHE A 4 -5.082 6.260 2.731 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.137 7.501 1.135 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -3.264 7.514 4.208 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.440 8.684 3.197 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.361 9.099 1.079 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -5.063 8.681 5.271 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -5.878 11.038 1.038 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -6.910 10.289 5.071 1.00 10.61 H new ATOM 0 HZ PHE A 4 -7.273 11.552 3.000 1.00 8.90 H new ATOM 76 N VAL A 5 -0.991 6.404 1.688 1.00 4.44 N ATOM 77 CA VAL A 5 0.205 5.634 1.839 1.00 3.87 C ATOM 78 C VAL A 5 1.328 6.560 2.155 1.00 4.93 C ATOM 79 O VAL A 5 1.801 7.321 1.312 1.00 6.84 O ATOM 80 CB VAL A 5 0.477 4.827 0.604 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.634 3.816 0.667 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.766 3.995 0.244 1.00 9.13 C ATOM 0 H VAL A 5 -0.908 7.172 1.022 1.00 4.44 H new ATOM 0 HA VAL A 5 0.092 4.923 2.658 1.00 3.87 H new ATOM 0 HB VAL A 5 0.751 5.590 -0.124 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.721 3.302 -0.290 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.565 4.341 0.883 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.438 3.087 1.454 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.565 3.410 -0.654 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.006 3.324 1.069 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.609 4.661 0.062 1.00 9.13 H new ATOM 92 N LYS A 6 1.778 6.472 3.420 1.00 6.04 N ATOM 93 CA LYS A 6 2.868 7.182 4.013 1.00 6.12 C ATOM 94 C LYS A 6 4.177 6.483 3.884 1.00 6.57 C ATOM 95 O LYS A 6 4.249 5.263 4.023 1.00 5.76 O ATOM 96 CB LYS A 6 2.364 7.507 5.430 1.00 7.45 C ATOM 97 CG LYS A 6 3.358 8.301 6.280 1.00 11.12 C ATOM 98 CD LYS A 6 2.859 8.743 7.657 1.00 14.54 C ATOM 99 CE LYS A 6 1.732 9.774 7.574 1.00 18.84 C ATOM 100 NZ LYS A 6 1.332 10.168 8.944 1.00 20.55 N ATOM 0 H LYS A 6 1.334 5.843 4.089 1.00 6.04 H new ATOM 0 HA LYS A 6 3.127 8.107 3.499 1.00 6.12 H new ATOM 0 HB2 LYS A 6 1.435 8.073 5.353 1.00 7.45 H new ATOM 0 HB3 LYS A 6 2.128 6.575 5.943 1.00 7.45 H new ATOM 0 HG2 LYS A 6 4.254 7.695 6.417 1.00 11.12 H new ATOM 0 HG3 LYS A 6 3.656 9.188 5.721 1.00 11.12 H new ATOM 0 HD2 LYS A 6 2.508 7.871 8.209 1.00 14.54 H new ATOM 0 HD3 LYS A 6 3.690 9.164 8.222 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.063 10.648 7.013 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.879 9.356 7.039 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.566 10.869 8.894 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.001 9.330 9.464 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 2.148 10.582 9.438 1.00 20.55 H new ATOM 114 N THR A 7 5.193 7.267 3.481 1.00 7.41 N ATOM 115 CA THR A 7 6.499 6.758 3.201 1.00 7.48 C ATOM 116 C THR A 7 7.291 6.794 4.462 1.00 8.75 C ATOM 117 O THR A 7 6.710 7.053 5.514 1.00 8.58 O ATOM 118 CB THR A 7 7.145 7.419 2.019 1.00 9.61 C ATOM 119 OG1 THR A 7 7.615 8.722 2.332 1.00 11.78 O ATOM 120 CG2 THR A 7 6.233 7.551 0.788 1.00 9.17 C ATOM 0 H THR A 7 5.105 8.274 3.347 1.00 7.41 H new ATOM 0 HA THR A 7 6.438 5.719 2.878 1.00 7.48 H new ATOM 0 HB THR A 7 7.969 6.749 1.772 1.00 9.61 H new ATOM 0 HG1 THR A 7 8.030 9.119 1.538 1.00 11.78 H new ATOM 0 HG21 THR A 7 6.779 8.039 -0.019 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.915 6.560 0.463 1.00 9.17 H new ATOM 0 HG23 THR A 7 5.358 8.147 1.046 1.00 9.17 H new ATOM 128 N LEU A 8 8.623 6.608 4.442 1.00 9.84 N ATOM 129 CA LEU A 8 9.688 6.806 5.376 1.00 14.15 C ATOM 130 C LEU A 8 10.017 8.231 5.657 1.00 17.37 C ATOM 131 O LEU A 8 9.879 8.746 6.766 1.00 17.01 O ATOM 132 CB LEU A 8 11.031 6.112 5.090 1.00 16.63 C ATOM 133 CG LEU A 8 10.860 4.637 4.691 1.00 18.88 C ATOM 134 CD1 LEU A 8 12.243 3.968 4.764 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.117 3.817 5.760 1.00 19.31 C ATOM 0 H LEU A 8 9.025 6.239 3.580 1.00 9.84 H new ATOM 0 HA LEU A 8 9.226 6.320 6.236 1.00 14.15 H new ATOM 0 HB2 LEU A 8 11.548 6.643 4.291 1.00 16.63 H new ATOM 0 HB3 LEU A 8 11.664 6.174 5.975 1.00 16.63 H new ATOM 0 HG LEU A 8 10.352 4.645 3.727 1.00 18.88 H new ATOM 0 HD11 LEU A 8 12.154 2.918 4.486 1.00 18.59 H new ATOM 0 HD12 LEU A 8 12.926 4.469 4.078 1.00 18.59 H new ATOM 0 HD13 LEU A 8 12.630 4.043 5.780 1.00 18.59 H new ATOM 0 HD21 LEU A 8 10.024 2.783 5.426 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.676 3.848 6.695 1.00 19.31 H new ATOM 0 HD23 LEU A 8 9.124 4.238 5.917 1.00 19.31 H new ATOM 147 N THR A 9 10.535 8.974 4.663 1.00 18.33 N ATOM 148 CA THR A 9 10.910 10.346 4.816 1.00 19.24 C ATOM 149 C THR A 9 9.826 11.319 5.130 1.00 19.48 C ATOM 150 O THR A 9 9.621 11.620 6.305 1.00 23.14 O ATOM 151 CB THR A 9 11.673 10.855 3.629 1.00 18.97 C ATOM 152 OG1 THR A 9 10.973 10.784 2.396 1.00 20.24 O ATOM 153 CG2 THR A 9 12.988 10.078 3.447 1.00 19.70 C ATOM 0 H THR A 9 10.698 8.610 3.724 1.00 18.33 H new ATOM 0 HA THR A 9 11.534 10.303 5.708 1.00 19.24 H new ATOM 0 HB THR A 9 11.846 11.906 3.859 1.00 18.97 H new ATOM 0 HG1 THR A 9 11.539 11.136 1.678 1.00 20.24 H new ATOM 0 HG21 THR A 9 13.523 10.466 2.580 1.00 19.70 H new ATOM 0 HG22 THR A 9 13.606 10.195 4.337 1.00 19.70 H new ATOM 0 HG23 THR A 9 12.768 9.021 3.295 1.00 19.70 H new ATOM 161 N GLY A 10 9.054 11.812 4.145 1.00 19.43 N ATOM 162 CA GLY A 10 8.188 12.938 4.310 1.00 18.74 C ATOM 163 C GLY A 10 7.212 13.024 3.187 1.00 17.62 C ATOM 164 O GLY A 10 7.115 14.095 2.589 1.00 19.74 O ATOM 0 H GLY A 10 9.032 11.415 3.206 1.00 19.43 H new ATOM 0 HA2 GLY A 10 7.654 12.856 5.257 1.00 18.74 H new ATOM 0 HA3 GLY A 10 8.778 13.853 4.355 1.00 18.74 H new ATOM 168 N LYS A 11 6.556 11.912 2.809 1.00 13.56 N ATOM 169 CA LYS A 11 5.552 11.910 1.790 1.00 11.91 C ATOM 170 C LYS A 11 4.424 11.011 2.162 1.00 10.18 C ATOM 171 O LYS A 11 4.585 10.026 2.880 1.00 9.10 O ATOM 172 CB LYS A 11 6.065 11.461 0.412 1.00 13.43 C ATOM 173 CG LYS A 11 5.267 11.781 -0.854 1.00 16.69 C ATOM 174 CD LYS A 11 6.042 11.305 -2.084 1.00 17.92 C ATOM 175 CE LYS A 11 5.263 11.697 -3.341 1.00 20.81 C ATOM 176 NZ LYS A 11 6.136 11.613 -4.534 1.00 21.93 N ATOM 0 H LYS A 11 6.727 10.994 3.220 1.00 13.56 H new ATOM 0 HA LYS A 11 5.229 12.948 1.714 1.00 11.91 H new ATOM 0 HB2 LYS A 11 7.059 11.889 0.283 1.00 13.43 H new ATOM 0 HB3 LYS A 11 6.187 10.379 0.451 1.00 13.43 H new ATOM 0 HG2 LYS A 11 4.293 11.294 -0.815 1.00 16.69 H new ATOM 0 HG3 LYS A 11 5.084 12.854 -0.919 1.00 16.69 H new ATOM 0 HD2 LYS A 11 7.035 11.753 -2.101 1.00 17.92 H new ATOM 0 HD3 LYS A 11 6.181 10.224 -2.048 1.00 17.92 H new ATOM 0 HE2 LYS A 11 4.403 11.039 -3.464 1.00 20.81 H new ATOM 0 HE3 LYS A 11 4.876 12.711 -3.236 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 6.103 12.514 -5.053 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 7.114 11.421 -4.236 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 5.805 10.845 -5.153 1.00 21.93 H new ATOM 190 N THR A 12 3.218 11.405 1.715 1.00 9.63 N ATOM 191 CA THR A 12 2.084 10.533 1.729 1.00 9.85 C ATOM 192 C THR A 12 1.482 10.567 0.367 1.00 11.66 C ATOM 193 O THR A 12 1.357 11.574 -0.328 1.00 12.33 O ATOM 194 CB THR A 12 1.001 11.026 2.641 1.00 10.85 C ATOM 195 OG1 THR A 12 1.478 10.966 3.977 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.287 10.189 2.715 1.00 9.63 C ATOM 0 H THR A 12 3.027 12.335 1.341 1.00 9.63 H new ATOM 0 HA THR A 12 2.426 9.550 2.052 1.00 9.85 H new ATOM 0 HB THR A 12 0.764 12.008 2.232 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.782 11.287 4.588 1.00 10.91 H new ATOM 0 HG21 THR A 12 -0.985 10.656 3.409 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.742 10.133 1.726 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.048 9.184 3.062 1.00 9.63 H new ATOM 204 N ILE A 13 1.102 9.379 -0.138 1.00 10.42 N ATOM 205 CA ILE A 13 0.586 9.152 -1.452 1.00 11.84 C ATOM 206 C ILE A 13 -0.877 8.922 -1.285 1.00 10.55 C ATOM 207 O ILE A 13 -1.313 8.049 -0.537 1.00 11.92 O ATOM 208 CB ILE A 13 1.278 8.037 -2.179 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.729 8.487 -2.418 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.624 7.667 -3.521 1.00 17.08 C ATOM 211 CD1 ILE A 13 3.559 7.430 -3.144 1.00 16.46 C ATOM 0 H ILE A 13 1.160 8.520 0.410 1.00 10.42 H new ATOM 0 HA ILE A 13 0.772 10.015 -2.091 1.00 11.84 H new ATOM 0 HB ILE A 13 1.214 7.139 -1.565 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.729 9.408 -3.002 1.00 14.87 H new ATOM 0 HG13 ILE A 13 3.197 8.717 -1.461 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.182 6.854 -3.986 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.405 7.350 -3.349 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.631 8.535 -4.181 1.00 17.08 H new ATOM 0 HD11 ILE A 13 4.574 7.800 -3.287 1.00 16.46 H new ATOM 0 HD12 ILE A 13 3.585 6.517 -2.550 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.110 7.218 -4.114 1.00 16.46 H new ATOM 223 N THR A 14 -1.646 9.785 -1.971 1.00 9.39 N ATOM 224 CA THR A 14 -3.059 9.567 -2.021 1.00 9.63 C ATOM 225 C THR A 14 -3.389 8.720 -3.202 1.00 11.20 C ATOM 226 O THR A 14 -3.017 9.138 -4.297 1.00 11.63 O ATOM 227 CB THR A 14 -3.891 10.810 -2.132 1.00 10.38 C ATOM 228 OG1 THR A 14 -3.515 11.627 -1.033 1.00 16.30 O ATOM 229 CG2 THR A 14 -5.377 10.498 -1.887 1.00 11.66 C ATOM 0 H THR A 14 -1.307 10.605 -2.474 1.00 9.39 H new ATOM 0 HA THR A 14 -3.301 9.094 -1.069 1.00 9.63 H new ATOM 0 HB THR A 14 -3.748 11.256 -3.116 1.00 10.38 H new ATOM 0 HG1 THR A 14 -4.029 12.461 -1.054 1.00 16.30 H new ATOM 0 HG21 THR A 14 -5.960 11.415 -1.973 1.00 11.66 H new ATOM 0 HG22 THR A 14 -5.724 9.777 -2.627 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.501 10.081 -0.888 1.00 11.66 H new ATOM 237 N LEU A 15 -4.008 7.541 -3.013 1.00 8.29 N ATOM 238 CA LEU A 15 -4.408 6.670 -4.074 1.00 9.03 C ATOM 239 C LEU A 15 -5.886 6.482 -4.044 1.00 8.59 C ATOM 240 O LEU A 15 -6.373 6.153 -2.963 1.00 7.79 O ATOM 241 CB LEU A 15 -3.725 5.292 -4.044 1.00 11.08 C ATOM 242 CG LEU A 15 -2.193 5.286 -4.182 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.631 3.868 -3.985 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.749 5.807 -5.559 1.00 15.88 C ATOM 0 H LEU A 15 -4.238 7.181 -2.087 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.092 7.157 -4.996 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.986 4.802 -3.106 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.143 4.686 -4.848 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.803 5.947 -3.408 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.546 3.889 -4.087 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.895 3.507 -2.991 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.053 3.202 -4.737 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.661 5.789 -5.621 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.168 5.173 -6.340 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.103 6.829 -5.693 1.00 15.88 H new ATOM 256 N GLU A 16 -6.583 6.567 -5.191 1.00 11.04 N ATOM 257 CA GLU A 16 -7.914 6.045 -5.209 1.00 11.50 C ATOM 258 C GLU A 16 -7.822 4.604 -5.577 1.00 10.13 C ATOM 259 O GLU A 16 -7.202 4.372 -6.614 1.00 9.83 O ATOM 260 CB GLU A 16 -8.856 6.773 -6.182 1.00 17.22 C ATOM 261 CG GLU A 16 -9.129 8.213 -5.739 1.00 23.33 C ATOM 262 CD GLU A 16 -9.826 8.964 -6.864 1.00 26.99 C ATOM 263 OE1 GLU A 16 -9.200 9.507 -7.814 1.00 28.90 O ATOM 264 OE2 GLU A 16 -11.065 9.187 -6.812 1.00 28.86 O ATOM 0 H GLU A 16 -6.248 6.975 -6.064 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.347 6.192 -4.220 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.416 6.777 -7.179 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.798 6.229 -6.251 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.751 8.218 -4.844 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -8.194 8.709 -5.480 1.00 23.33 H new ATOM 271 N VAL A 17 -8.450 3.616 -4.915 1.00 8.99 N ATOM 272 CA VAL A 17 -8.499 2.197 -5.087 1.00 8.85 C ATOM 273 C VAL A 17 -9.905 1.708 -5.031 1.00 8.04 C ATOM 274 O VAL A 17 -10.833 2.414 -4.640 1.00 8.99 O ATOM 275 CB VAL A 17 -7.581 1.444 -4.170 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.166 2.014 -4.365 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.930 1.394 -2.673 1.00 10.54 C ATOM 0 H VAL A 17 -9.027 3.870 -4.113 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.113 1.987 -6.084 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.682 0.399 -4.463 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.469 1.489 -3.712 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.860 1.882 -5.403 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.164 3.076 -4.118 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.174 0.815 -2.142 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.959 2.407 -2.272 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.905 0.924 -2.542 1.00 10.54 H new ATOM 287 N GLU A 18 -10.210 0.426 -5.300 1.00 7.29 N ATOM 288 CA GLU A 18 -11.489 -0.203 -5.179 1.00 7.08 C ATOM 289 C GLU A 18 -11.410 -1.388 -4.279 1.00 6.45 C ATOM 290 O GLU A 18 -10.342 -1.995 -4.226 1.00 5.28 O ATOM 291 CB GLU A 18 -11.902 -0.714 -6.570 1.00 10.28 C ATOM 292 CG GLU A 18 -12.144 0.346 -7.647 1.00 12.65 C ATOM 293 CD GLU A 18 -12.168 -0.239 -9.051 1.00 14.15 C ATOM 294 OE1 GLU A 18 -13.096 -1.056 -9.293 1.00 14.33 O ATOM 295 OE2 GLU A 18 -11.258 0.124 -9.843 1.00 18.17 O ATOM 0 H GLU A 18 -9.498 -0.226 -5.631 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.200 0.518 -4.776 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.127 -1.392 -6.928 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.813 -1.302 -6.460 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -13.091 0.848 -7.451 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.363 1.104 -7.587 1.00 12.65 H new ATOM 302 N PRO A 19 -12.356 -1.736 -3.458 1.00 7.24 N ATOM 303 CA PRO A 19 -12.096 -2.592 -2.337 1.00 7.07 C ATOM 304 C PRO A 19 -11.640 -3.982 -2.622 1.00 6.65 C ATOM 305 O PRO A 19 -10.930 -4.548 -1.792 1.00 6.37 O ATOM 306 CB PRO A 19 -13.455 -2.790 -1.671 1.00 7.61 C ATOM 307 CG PRO A 19 -14.160 -1.473 -2.033 1.00 8.16 C ATOM 308 CD PRO A 19 -13.681 -1.135 -3.453 1.00 7.49 C ATOM 0 HA PRO A 19 -11.297 -2.106 -1.777 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.982 -3.660 -2.062 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -13.369 -2.928 -0.593 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -15.244 -1.585 -1.999 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.899 -0.681 -1.331 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.329 -1.563 -4.218 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.645 -0.060 -3.630 1.00 7.49 H new ATOM 316 N SER A 20 -12.062 -4.507 -3.786 1.00 6.80 N ATOM 317 CA SER A 20 -11.815 -5.838 -4.245 1.00 6.28 C ATOM 318 C SER A 20 -10.519 -5.905 -4.978 1.00 8.45 C ATOM 319 O SER A 20 -10.153 -7.014 -5.364 1.00 7.26 O ATOM 320 CB SER A 20 -13.007 -6.259 -5.121 1.00 8.57 C ATOM 321 OG SER A 20 -13.104 -5.432 -6.271 1.00 11.13 O ATOM 0 H SER A 20 -12.613 -3.964 -4.451 1.00 6.80 H new ATOM 0 HA SER A 20 -11.726 -6.531 -3.408 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.892 -7.300 -5.424 1.00 8.57 H new ATOM 0 HB3 SER A 20 -13.929 -6.196 -4.543 1.00 8.57 H new ATOM 0 HG SER A 20 -13.867 -5.717 -6.816 1.00 11.13 H new ATOM 327 N ASP A 21 -9.667 -4.871 -5.089 1.00 7.50 N ATOM 328 CA ASP A 21 -8.338 -4.953 -5.611 1.00 7.70 C ATOM 329 C ASP A 21 -7.446 -5.639 -4.634 1.00 7.08 C ATOM 330 O ASP A 21 -7.583 -5.642 -3.412 1.00 8.11 O ATOM 331 CB ASP A 21 -7.817 -3.532 -5.888 1.00 11.00 C ATOM 332 CG ASP A 21 -8.435 -2.874 -7.113 1.00 15.32 C ATOM 333 OD1 ASP A 21 -9.233 -3.493 -7.866 1.00 14.36 O ATOM 334 OD2 ASP A 21 -8.204 -1.661 -7.366 1.00 18.03 O ATOM 0 H ASP A 21 -9.919 -3.926 -4.799 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.347 -5.527 -6.538 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -8.012 -2.908 -5.016 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.735 -3.571 -6.016 1.00 11.00 H new ATOM 339 N THR A 22 -6.429 -6.270 -5.247 1.00 5.37 N ATOM 340 CA THR A 22 -5.345 -6.892 -4.551 1.00 6.01 C ATOM 341 C THR A 22 -4.301 -5.893 -4.186 1.00 8.01 C ATOM 342 O THR A 22 -4.164 -4.824 -4.779 1.00 8.11 O ATOM 343 CB THR A 22 -4.771 -8.029 -5.343 1.00 8.92 C ATOM 344 OG1 THR A 22 -4.339 -7.567 -6.614 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.792 -9.174 -5.450 1.00 9.65 C ATOM 0 H THR A 22 -6.358 -6.350 -6.261 1.00 5.37 H new ATOM 0 HA THR A 22 -5.737 -7.310 -3.624 1.00 6.01 H new ATOM 0 HB THR A 22 -3.897 -8.428 -4.829 1.00 8.92 H new ATOM 0 HG1 THR A 22 -4.113 -8.334 -7.181 1.00 10.22 H new ATOM 0 HG21 THR A 22 -5.362 -9.992 -6.027 1.00 9.65 H new ATOM 0 HG22 THR A 22 -6.046 -9.529 -4.451 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.692 -8.813 -5.947 1.00 9.65 H new ATOM 353 N ILE A 23 -3.487 -6.233 -3.172 1.00 8.32 N ATOM 354 CA ILE A 23 -2.398 -5.422 -2.720 1.00 9.92 C ATOM 355 C ILE A 23 -1.328 -5.355 -3.755 1.00 10.01 C ATOM 356 O ILE A 23 -0.706 -4.304 -3.895 1.00 8.71 O ATOM 357 CB ILE A 23 -1.847 -5.978 -1.441 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.967 -5.825 -0.398 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.521 -5.427 -0.889 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.532 -4.449 -0.048 1.00 12.30 C ATOM 0 H ILE A 23 -3.589 -7.102 -2.648 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.765 -4.411 -2.542 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.558 -7.004 -1.669 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.803 -6.438 -0.735 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.602 -6.266 0.530 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.272 -5.941 0.040 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.273 -5.591 -1.618 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.623 -4.359 -0.697 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.311 -4.557 0.707 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.734 -3.817 0.342 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.954 -3.991 -0.942 1.00 12.30 H new ATOM 372 N GLU A 24 -1.145 -6.376 -4.611 1.00 9.54 N ATOM 373 CA GLU A 24 -0.525 -6.450 -5.898 1.00 11.81 C ATOM 374 C GLU A 24 -0.931 -5.425 -6.900 1.00 11.14 C ATOM 375 O GLU A 24 -0.116 -4.825 -7.599 1.00 10.62 O ATOM 376 CB GLU A 24 -0.970 -7.813 -6.455 1.00 19.24 C ATOM 377 CG GLU A 24 0.049 -8.296 -7.490 1.00 27.76 C ATOM 378 CD GLU A 24 -0.072 -9.709 -8.044 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.088 -9.914 -8.760 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.759 -10.603 -7.730 1.00 34.80 O ATOM 0 H GLU A 24 -1.492 -7.299 -4.349 1.00 9.54 H new ATOM 0 HA GLU A 24 0.544 -6.293 -5.753 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -1.055 -8.539 -5.646 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -1.956 -7.727 -6.912 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.011 -7.608 -8.334 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.040 -8.201 -7.045 1.00 27.76 H new ATOM 387 N ASN A 25 -2.213 -5.031 -7.004 1.00 9.43 N ATOM 388 CA ASN A 25 -2.710 -4.061 -7.930 1.00 10.96 C ATOM 389 C ASN A 25 -2.636 -2.699 -7.330 1.00 9.68 C ATOM 390 O ASN A 25 -2.741 -1.661 -7.982 1.00 9.33 O ATOM 391 CB ASN A 25 -4.148 -4.410 -8.348 1.00 16.78 C ATOM 392 CG ASN A 25 -4.669 -3.589 -9.519 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.537 -3.976 -10.679 1.00 25.66 O ATOM 394 ND2 ASN A 25 -5.142 -2.352 -9.211 1.00 24.70 N ATOM 0 H ASN A 25 -2.946 -5.413 -6.406 1.00 9.43 H new ATOM 0 HA ASN A 25 -2.090 -4.071 -8.827 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.193 -5.467 -8.610 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.809 -4.265 -7.493 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -5.403 -1.706 -9.956 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -5.236 -2.070 -8.235 1.00 24.70 H new ATOM 401 N VAL A 26 -2.484 -2.537 -6.004 1.00 6.52 N ATOM 402 CA VAL A 26 -2.276 -1.314 -5.293 1.00 5.53 C ATOM 403 C VAL A 26 -0.836 -0.981 -5.485 1.00 4.42 C ATOM 404 O VAL A 26 -0.444 0.169 -5.673 1.00 3.40 O ATOM 405 CB VAL A 26 -2.578 -1.283 -3.824 1.00 3.86 C ATOM 406 CG1 VAL A 26 -2.096 -0.015 -3.099 1.00 7.25 C ATOM 407 CG2 VAL A 26 -4.089 -1.502 -3.644 1.00 8.12 C ATOM 0 H VAL A 26 -2.509 -3.338 -5.373 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.995 -0.605 -5.703 1.00 5.53 H new ATOM 0 HB VAL A 26 -2.011 -2.084 -3.350 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.357 -0.079 -2.043 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -1.014 0.074 -3.201 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.575 0.860 -3.539 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.335 -1.484 -2.582 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.635 -0.710 -4.157 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.369 -2.467 -4.065 1.00 8.12 H new ATOM 417 N LYS A 27 0.002 -2.032 -5.529 1.00 2.64 N ATOM 418 CA LYS A 27 1.395 -1.825 -5.773 1.00 4.14 C ATOM 419 C LYS A 27 1.668 -1.372 -7.166 1.00 5.58 C ATOM 420 O LYS A 27 2.559 -0.596 -7.506 1.00 4.11 O ATOM 421 CB LYS A 27 2.153 -3.145 -5.553 1.00 3.97 C ATOM 422 CG LYS A 27 2.465 -3.475 -4.092 1.00 7.45 C ATOM 423 CD LYS A 27 3.437 -4.651 -3.978 1.00 9.02 C ATOM 424 CE LYS A 27 3.712 -5.059 -2.529 1.00 12.90 C ATOM 425 NZ LYS A 27 4.601 -6.241 -2.490 1.00 15.47 N ATOM 0 H LYS A 27 -0.276 -3.005 -5.399 1.00 2.64 H new ATOM 0 HA LYS A 27 1.726 -1.049 -5.083 1.00 4.14 H new ATOM 0 HB2 LYS A 27 1.565 -3.959 -5.976 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.090 -3.106 -6.109 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.893 -2.599 -3.603 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.540 -3.714 -3.566 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.031 -5.505 -4.520 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.378 -4.386 -4.460 1.00 9.02 H new ATOM 0 HE2 LYS A 27 4.173 -4.230 -1.992 1.00 12.90 H new ATOM 0 HE3 LYS A 27 2.773 -5.284 -2.023 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.794 -6.498 -1.501 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.139 -7.039 -2.971 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.496 -6.018 -2.971 1.00 15.47 H new ATOM 439 N ALA A 28 0.815 -1.780 -8.123 1.00 6.61 N ATOM 440 CA ALA A 28 0.810 -1.412 -9.504 1.00 7.74 C ATOM 441 C ALA A 28 0.687 0.050 -9.764 1.00 9.17 C ATOM 442 O ALA A 28 1.339 0.678 -10.597 1.00 11.45 O ATOM 443 CB ALA A 28 -0.216 -2.120 -10.404 1.00 7.68 C ATOM 0 H ALA A 28 0.058 -2.429 -7.906 1.00 6.61 H new ATOM 0 HA ALA A 28 1.805 -1.763 -9.779 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -0.118 -1.753 -11.426 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -0.036 -3.195 -10.385 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.223 -1.914 -10.040 1.00 7.68 H new ATOM 449 N LYS A 29 -0.087 0.671 -8.855 1.00 8.96 N ATOM 450 CA LYS A 29 -0.297 2.084 -8.795 1.00 7.90 C ATOM 451 C LYS A 29 0.750 2.848 -8.060 1.00 6.92 C ATOM 452 O LYS A 29 0.919 4.047 -8.273 1.00 6.87 O ATOM 453 CB LYS A 29 -1.562 2.535 -8.045 1.00 10.28 C ATOM 454 CG LYS A 29 -2.840 1.975 -8.673 1.00 14.94 C ATOM 455 CD LYS A 29 -4.061 2.475 -7.899 1.00 19.69 C ATOM 456 CE LYS A 29 -5.340 2.346 -8.728 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.388 3.241 -9.906 1.00 24.98 N ATOM 0 H LYS A 29 -0.590 0.163 -8.128 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.328 2.292 -9.865 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.499 2.213 -7.005 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.610 3.624 -8.039 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.908 2.283 -9.716 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.813 0.885 -8.663 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.166 1.906 -6.975 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.913 3.517 -7.616 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -5.440 1.314 -9.065 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -6.197 2.557 -8.089 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.365 3.301 -10.256 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -5.058 4.189 -9.635 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -4.774 2.862 -10.655 1.00 24.98 H new ATOM 471 N ILE A 30 1.596 2.279 -7.183 1.00 4.57 N ATOM 472 CA ILE A 30 2.779 2.838 -6.605 1.00 5.58 C ATOM 473 C ILE A 30 3.955 2.773 -7.517 1.00 7.26 C ATOM 474 O ILE A 30 4.754 3.701 -7.632 1.00 9.46 O ATOM 475 CB ILE A 30 3.056 2.307 -5.230 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.811 2.304 -4.327 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.144 3.150 -4.544 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.022 1.629 -2.973 1.00 2.00 C ATOM 0 H ILE A 30 1.432 1.330 -6.846 1.00 4.57 H new ATOM 0 HA ILE A 30 2.581 3.901 -6.471 1.00 5.58 H new ATOM 0 HB ILE A 30 3.384 1.276 -5.363 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.493 3.333 -4.162 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.998 1.799 -4.849 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.336 2.754 -3.547 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.060 3.110 -5.133 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.808 4.184 -4.466 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.097 1.670 -2.398 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.309 0.589 -3.126 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.811 2.146 -2.428 1.00 2.00 H new ATOM 490 N GLN A 31 4.074 1.707 -8.329 1.00 7.06 N ATOM 491 CA GLN A 31 4.892 1.665 -9.501 1.00 8.67 C ATOM 492 C GLN A 31 4.604 2.774 -10.453 1.00 10.90 C ATOM 493 O GLN A 31 5.558 3.380 -10.939 1.00 9.63 O ATOM 494 CB GLN A 31 4.938 0.234 -10.063 1.00 9.12 C ATOM 495 CG GLN A 31 5.972 -0.058 -11.152 1.00 10.76 C ATOM 496 CD GLN A 31 5.469 0.293 -12.545 1.00 13.78 C ATOM 497 OE1 GLN A 31 4.959 -0.595 -13.227 1.00 14.48 O ATOM 498 NE2 GLN A 31 5.647 1.535 -13.068 1.00 14.76 N ATOM 0 H GLN A 31 3.576 0.833 -8.160 1.00 7.06 H new ATOM 0 HA GLN A 31 5.927 1.885 -9.241 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.120 -0.449 -9.233 1.00 9.12 H new ATOM 0 HB3 GLN A 31 3.952 -0.004 -10.461 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.881 0.506 -10.945 1.00 10.76 H new ATOM 0 HG3 GLN A 31 6.238 -1.115 -11.121 1.00 10.76 H new ATOM 0 HE21 GLN A 31 6.070 2.271 -12.502 1.00 14.76 H new ATOM 0 HE22 GLN A 31 5.358 1.731 -14.026 1.00 14.76 H new ATOM 507 N ASP A 32 3.358 3.028 -10.890 1.00 10.93 N ATOM 508 CA ASP A 32 3.190 4.031 -11.896 1.00 14.01 C ATOM 509 C ASP A 32 3.390 5.431 -11.428 1.00 14.04 C ATOM 510 O ASP A 32 3.747 6.361 -12.149 1.00 13.39 O ATOM 511 CB ASP A 32 1.756 3.865 -12.427 1.00 18.01 C ATOM 512 CG ASP A 32 1.650 4.162 -13.915 1.00 24.33 C ATOM 513 OD1 ASP A 32 2.724 4.085 -14.570 1.00 26.29 O ATOM 514 OD2 ASP A 32 0.556 4.523 -14.426 1.00 25.17 O ATOM 0 H ASP A 32 2.507 2.567 -10.568 1.00 10.93 H new ATOM 0 HA ASP A 32 3.958 3.883 -12.655 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.417 2.846 -12.238 1.00 18.01 H new ATOM 0 HB3 ASP A 32 1.089 4.530 -11.878 1.00 18.01 H new ATOM 519 N LYS A 33 3.150 5.702 -10.133 1.00 14.22 N ATOM 520 CA LYS A 33 3.271 6.946 -9.438 1.00 14.00 C ATOM 521 C LYS A 33 4.698 7.296 -9.193 1.00 12.37 C ATOM 522 O LYS A 33 5.190 8.341 -9.617 1.00 12.17 O ATOM 523 CB LYS A 33 2.518 6.877 -8.099 1.00 18.62 C ATOM 524 CG LYS A 33 2.726 8.009 -7.091 1.00 24.00 C ATOM 525 CD LYS A 33 2.393 9.409 -7.610 1.00 27.61 C ATOM 526 CE LYS A 33 2.258 10.535 -6.583 1.00 27.64 C ATOM 527 NZ LYS A 33 2.033 11.799 -7.319 1.00 30.06 N ATOM 0 H LYS A 33 2.836 4.963 -9.504 1.00 14.22 H new ATOM 0 HA LYS A 33 2.833 7.722 -10.065 1.00 14.00 H new ATOM 0 HB2 LYS A 33 1.452 6.820 -8.320 1.00 18.62 H new ATOM 0 HB3 LYS A 33 2.793 5.942 -7.611 1.00 18.62 H new ATOM 0 HG2 LYS A 33 2.113 7.809 -6.212 1.00 24.00 H new ATOM 0 HG3 LYS A 33 3.766 7.997 -6.764 1.00 24.00 H new ATOM 0 HD2 LYS A 33 3.167 9.696 -8.322 1.00 27.61 H new ATOM 0 HD3 LYS A 33 1.457 9.347 -8.165 1.00 27.61 H new ATOM 0 HE2 LYS A 33 1.428 10.335 -5.905 1.00 27.64 H new ATOM 0 HE3 LYS A 33 3.158 10.604 -5.973 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.938 12.583 -6.642 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 2.840 11.982 -7.949 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 1.163 11.722 -7.884 1.00 30.06 H new ATOM 541 N GLU A 34 5.463 6.432 -8.503 1.00 10.11 N ATOM 542 CA GLU A 34 6.771 6.693 -7.987 1.00 10.07 C ATOM 543 C GLU A 34 7.796 5.878 -8.698 1.00 9.32 C ATOM 544 O GLU A 34 8.936 6.293 -8.903 1.00 11.61 O ATOM 545 CB GLU A 34 6.917 6.134 -6.561 1.00 14.77 C ATOM 546 CG GLU A 34 6.156 6.965 -5.526 1.00 18.75 C ATOM 547 CD GLU A 34 6.573 8.419 -5.357 1.00 22.28 C ATOM 548 OE1 GLU A 34 7.614 8.675 -4.694 1.00 21.95 O ATOM 549 OE2 GLU A 34 5.918 9.374 -5.854 1.00 25.19 O ATOM 0 H GLU A 34 5.145 5.486 -8.291 1.00 10.11 H new ATOM 0 HA GLU A 34 6.901 7.772 -8.075 1.00 10.07 H new ATOM 0 HB2 GLU A 34 6.552 5.107 -6.537 1.00 14.77 H new ATOM 0 HB3 GLU A 34 7.973 6.103 -6.292 1.00 14.77 H new ATOM 0 HG2 GLU A 34 5.098 6.946 -5.789 1.00 18.75 H new ATOM 0 HG3 GLU A 34 6.253 6.471 -4.559 1.00 18.75 H new ATOM 556 N GLY A 35 7.455 4.684 -9.216 1.00 7.22 N ATOM 557 CA GLY A 35 8.456 3.886 -9.852 1.00 6.29 C ATOM 558 C GLY A 35 9.331 3.059 -8.974 1.00 6.93 C ATOM 559 O GLY A 35 10.464 2.762 -9.351 1.00 7.41 O ATOM 0 H GLY A 35 6.518 4.281 -9.197 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.959 3.219 -10.556 1.00 6.29 H new ATOM 0 HA3 GLY A 35 9.094 4.549 -10.437 1.00 6.29 H new ATOM 563 N ILE A 36 8.784 2.666 -7.809 1.00 5.86 N ATOM 564 CA ILE A 36 9.286 1.608 -6.989 1.00 6.07 C ATOM 565 C ILE A 36 8.852 0.283 -7.514 1.00 6.36 C ATOM 566 O ILE A 36 7.643 0.165 -7.710 1.00 6.18 O ATOM 567 CB ILE A 36 8.828 1.823 -5.577 1.00 7.47 C ATOM 568 CG1 ILE A 36 9.098 3.227 -5.011 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.571 0.822 -4.675 1.00 7.36 C ATOM 570 CD1 ILE A 36 8.543 3.589 -3.634 1.00 9.49 C ATOM 0 H ILE A 36 7.951 3.108 -7.421 1.00 5.86 H new ATOM 0 HA ILE A 36 10.376 1.615 -7.007 1.00 6.07 H new ATOM 0 HB ILE A 36 7.746 1.689 -5.591 1.00 7.47 H new ATOM 0 HG12 ILE A 36 10.179 3.366 -4.977 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.705 3.951 -5.725 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.254 0.959 -3.641 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.341 -0.195 -4.993 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.645 0.992 -4.751 1.00 7.36 H new ATOM 0 HD11 ILE A 36 8.824 4.613 -3.386 1.00 9.49 H new ATOM 0 HD12 ILE A 36 7.456 3.503 -3.646 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.953 2.910 -2.887 1.00 9.49 H new ATOM 582 N PRO A 37 9.698 -0.627 -7.895 1.00 8.65 N ATOM 583 CA PRO A 37 9.227 -1.924 -8.284 1.00 9.18 C ATOM 584 C PRO A 37 8.596 -2.697 -7.177 1.00 9.85 C ATOM 585 O PRO A 37 8.918 -2.411 -6.025 1.00 8.51 O ATOM 586 CB PRO A 37 10.521 -2.563 -8.782 1.00 11.42 C ATOM 587 CG PRO A 37 11.437 -1.426 -9.262 1.00 9.27 C ATOM 588 CD PRO A 37 11.109 -0.397 -8.168 1.00 8.33 C ATOM 0 HA PRO A 37 8.423 -1.889 -9.019 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.000 -3.132 -7.985 1.00 11.42 H new ATOM 0 HB3 PRO A 37 10.317 -3.261 -9.594 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.490 -1.708 -9.277 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.187 -1.074 -10.263 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.720 -0.549 -7.278 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.291 0.622 -8.509 1.00 8.33 H new ATOM 596 N PRO A 38 7.739 -3.660 -7.344 1.00 8.71 N ATOM 597 CA PRO A 38 7.040 -4.352 -6.301 1.00 9.08 C ATOM 598 C PRO A 38 7.772 -5.242 -5.356 1.00 9.28 C ATOM 599 O PRO A 38 7.174 -5.513 -4.316 1.00 6.50 O ATOM 600 CB PRO A 38 6.070 -5.264 -7.049 1.00 10.31 C ATOM 601 CG PRO A 38 5.605 -4.351 -8.194 1.00 10.81 C ATOM 602 CD PRO A 38 6.878 -3.551 -8.511 1.00 12.00 C ATOM 0 HA PRO A 38 6.659 -3.562 -5.654 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.558 -6.166 -7.417 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.241 -5.585 -6.418 1.00 10.31 H new ATOM 0 HG2 PRO A 38 5.259 -4.923 -9.055 1.00 10.81 H new ATOM 0 HG3 PRO A 38 4.783 -3.703 -7.890 1.00 10.81 H new ATOM 0 HD2 PRO A 38 7.374 -3.947 -9.397 1.00 12.00 H new ATOM 0 HD3 PRO A 38 6.638 -2.508 -8.720 1.00 12.00 H new ATOM 610 N ASP A 39 9.043 -5.580 -5.636 1.00 11.20 N ATOM 611 CA ASP A 39 9.768 -6.392 -4.707 1.00 14.96 C ATOM 612 C ASP A 39 10.291 -5.700 -3.496 1.00 13.99 C ATOM 613 O ASP A 39 10.387 -6.203 -2.378 1.00 13.75 O ATOM 614 CB ASP A 39 10.780 -7.240 -5.496 1.00 24.16 C ATOM 615 CG ASP A 39 11.816 -6.403 -6.232 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.402 -5.504 -7.012 1.00 35.55 O ATOM 617 OD2 ASP A 39 13.057 -6.532 -6.055 1.00 34.22 O ATOM 0 H ASP A 39 9.555 -5.304 -6.474 1.00 11.20 H new ATOM 0 HA ASP A 39 9.064 -7.065 -4.218 1.00 14.96 H new ATOM 0 HB2 ASP A 39 11.289 -7.917 -4.811 1.00 24.16 H new ATOM 0 HB3 ASP A 39 10.244 -7.858 -6.216 1.00 24.16 H new ATOM 622 N GLN A 40 10.747 -4.460 -3.750 1.00 11.60 N ATOM 623 CA GLN A 40 11.119 -3.469 -2.788 1.00 10.76 C ATOM 624 C GLN A 40 10.074 -2.975 -1.848 1.00 8.01 C ATOM 625 O GLN A 40 10.365 -2.703 -0.684 1.00 8.96 O ATOM 626 CB GLN A 40 11.616 -2.292 -3.644 1.00 11.14 C ATOM 627 CG GLN A 40 12.764 -1.532 -2.977 1.00 14.85 C ATOM 628 CD GLN A 40 13.427 -0.481 -3.856 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.486 -0.588 -5.080 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.209 0.430 -3.219 1.00 18.16 N ATOM 0 H GLN A 40 10.864 -4.125 -4.706 1.00 11.60 H new ATOM 0 HA GLN A 40 11.841 -3.926 -2.111 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.945 -2.665 -4.614 1.00 11.14 H new ATOM 0 HB3 GLN A 40 10.789 -1.606 -3.830 1.00 11.14 H new ATOM 0 HG2 GLN A 40 12.386 -1.047 -2.077 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.520 -2.250 -2.659 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.162 0.521 -2.204 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.842 1.022 -3.756 1.00 18.16 H new ATOM 639 N GLN A 41 8.828 -2.945 -2.354 1.00 6.52 N ATOM 640 CA GLN A 41 7.647 -2.487 -1.691 1.00 3.87 C ATOM 641 C GLN A 41 7.154 -3.369 -0.596 1.00 4.79 C ATOM 642 O GLN A 41 6.814 -4.514 -0.892 1.00 6.34 O ATOM 643 CB GLN A 41 6.444 -2.271 -2.624 1.00 4.20 C ATOM 644 CG GLN A 41 6.729 -1.169 -3.646 1.00 3.20 C ATOM 645 CD GLN A 41 5.465 -0.886 -4.444 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.407 -0.902 -3.817 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.623 -0.505 -5.740 1.00 7.13 N ATOM 0 H GLN A 41 8.633 -3.267 -3.302 1.00 6.52 H new ATOM 0 HA GLN A 41 7.999 -1.541 -1.280 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.211 -3.201 -3.143 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.566 -2.006 -2.035 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.063 -0.264 -3.139 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.534 -1.476 -4.314 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.548 -0.528 -6.169 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.817 -0.196 -6.283 1.00 7.13 H new ATOM 656 N ARG A 42 6.987 -2.902 0.654 1.00 5.73 N ATOM 657 CA ARG A 42 6.234 -3.646 1.616 1.00 6.97 C ATOM 658 C ARG A 42 5.264 -2.746 2.301 1.00 7.15 C ATOM 659 O ARG A 42 5.649 -1.794 2.977 1.00 7.33 O ATOM 660 CB ARG A 42 7.130 -4.305 2.679 1.00 13.23 C ATOM 661 CG ARG A 42 8.013 -5.484 2.266 1.00 21.27 C ATOM 662 CD ARG A 42 7.159 -6.647 1.757 1.00 26.14 C ATOM 663 NE ARG A 42 8.138 -7.730 1.458 1.00 32.26 N ATOM 664 CZ ARG A 42 8.776 -8.448 2.428 1.00 34.32 C ATOM 665 NH1 ARG A 42 8.695 -8.267 3.779 1.00 35.30 N ATOM 666 NH2 ARG A 42 9.643 -9.440 2.073 1.00 36.39 N ATOM 0 H ARG A 42 7.368 -2.020 0.996 1.00 5.73 H new ATOM 0 HA ARG A 42 5.714 -4.436 1.073 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.781 -3.532 3.088 1.00 13.23 H new ATOM 0 HB3 ARG A 42 6.486 -4.643 3.491 1.00 13.23 H new ATOM 0 HG2 ARG A 42 8.708 -5.169 1.488 1.00 21.27 H new ATOM 0 HG3 ARG A 42 8.612 -5.811 3.116 1.00 21.27 H new ATOM 0 HD2 ARG A 42 6.434 -6.964 2.507 1.00 26.14 H new ATOM 0 HD3 ARG A 42 6.596 -6.365 0.867 1.00 26.14 H new ATOM 0 HE ARG A 42 8.341 -7.945 0.482 1.00 32.26 H new ATOM 0 HH11 ARG A 42 8.106 -7.526 4.160 1.00 35.30 H new ATOM 0 HH12 ARG A 42 9.223 -8.872 4.407 1.00 35.30 H new ATOM 0 HH21 ARG A 42 9.811 -9.642 1.087 1.00 36.39 H new ATOM 0 HH22 ARG A 42 10.123 -9.980 2.793 1.00 36.39 H new ATOM 680 N LEU A 43 3.961 -3.033 2.127 1.00 4.65 N ATOM 681 CA LEU A 43 2.875 -2.267 2.654 1.00 3.51 C ATOM 682 C LEU A 43 2.471 -2.732 4.011 1.00 5.56 C ATOM 683 O LEU A 43 1.967 -3.847 4.134 1.00 4.19 O ATOM 684 CB LEU A 43 1.744 -2.331 1.614 1.00 3.74 C ATOM 685 CG LEU A 43 1.935 -1.409 0.398 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.123 -1.866 -0.826 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.721 0.070 0.761 1.00 9.55 C ATOM 0 H LEU A 43 3.650 -3.842 1.590 1.00 4.65 H new ATOM 0 HA LEU A 43 3.164 -1.228 2.811 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.650 -3.358 1.262 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.804 -2.074 2.103 1.00 3.74 H new ATOM 0 HG LEU A 43 2.978 -1.495 0.093 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.296 -1.179 -1.654 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.435 -2.869 -1.116 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.062 -1.874 -0.576 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.865 0.687 -0.126 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.708 0.209 1.139 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.438 0.364 1.528 1.00 9.55 H new ATOM 699 N ILE A 44 2.624 -1.887 5.046 1.00 4.58 N ATOM 700 CA ILE A 44 2.266 -2.205 6.394 1.00 5.55 C ATOM 701 C ILE A 44 0.907 -1.667 6.680 1.00 5.46 C ATOM 702 O ILE A 44 0.661 -0.506 6.358 1.00 6.04 O ATOM 703 CB ILE A 44 3.260 -1.727 7.411 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.593 -2.448 7.147 1.00 10.31 C ATOM 705 CG2 ILE A 44 2.790 -1.982 8.853 1.00 7.39 C ATOM 706 CD1 ILE A 44 4.569 -3.961 7.357 1.00 13.90 C ATOM 0 H ILE A 44 3.011 -0.949 4.941 1.00 4.58 H new ATOM 0 HA ILE A 44 2.266 -3.292 6.481 1.00 5.55 H new ATOM 0 HB ILE A 44 3.375 -0.648 7.311 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.900 -2.245 6.121 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.354 -2.019 7.799 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.544 -1.618 9.551 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.851 -1.457 9.028 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.642 -3.051 9.004 1.00 7.39 H new ATOM 0 HD11 ILE A 44 5.556 -4.373 7.145 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.298 -4.181 8.390 1.00 13.90 H new ATOM 0 HD13 ILE A 44 3.837 -4.410 6.686 1.00 13.90 H new ATOM 718 N PHE A 45 -0.030 -2.377 7.334 1.00 6.75 N ATOM 719 CA PHE A 45 -1.198 -1.824 7.946 1.00 4.70 C ATOM 720 C PHE A 45 -1.025 -2.084 9.403 1.00 6.34 C ATOM 721 O PHE A 45 -1.111 -3.215 9.879 1.00 5.45 O ATOM 722 CB PHE A 45 -2.490 -2.456 7.403 1.00 5.51 C ATOM 723 CG PHE A 45 -3.685 -2.046 8.193 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.017 -0.727 8.395 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.519 -3.056 8.610 1.00 5.87 C ATOM 726 CE1 PHE A 45 -5.080 -0.467 9.228 1.00 6.68 C ATOM 727 CE2 PHE A 45 -5.609 -2.796 9.407 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.912 -1.477 9.651 1.00 6.84 C ATOM 0 H PHE A 45 0.031 -3.390 7.441 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.299 -0.760 7.731 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.626 -2.165 6.361 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.398 -3.542 7.421 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -3.466 0.071 7.920 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.314 -4.072 8.306 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -5.264 0.546 9.555 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.203 -3.595 9.824 1.00 6.64 H new ATOM 0 HZ PHE A 45 -6.818 -1.230 10.184 1.00 6.84 H new ATOM 738 N ALA A 46 -0.936 -1.000 10.194 1.00 6.53 N ATOM 739 CA ALA A 46 -0.731 -0.930 11.607 1.00 7.15 C ATOM 740 C ALA A 46 0.641 -1.430 11.902 1.00 9.00 C ATOM 741 O ALA A 46 1.539 -0.593 11.812 1.00 11.15 O ATOM 742 CB ALA A 46 -1.900 -1.648 12.302 1.00 8.99 C ATOM 0 H ALA A 46 -1.018 -0.066 9.792 1.00 6.53 H new ATOM 0 HA ALA A 46 -0.752 0.083 12.010 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -1.762 -1.606 13.382 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -2.837 -1.159 12.036 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -1.930 -2.689 11.981 1.00 8.99 H new ATOM 748 N GLY A 47 0.871 -2.718 12.214 1.00 9.35 N ATOM 749 CA GLY A 47 2.148 -3.346 12.352 1.00 11.68 C ATOM 750 C GLY A 47 2.184 -4.568 11.499 1.00 11.14 C ATOM 751 O GLY A 47 3.140 -5.328 11.641 1.00 13.93 O ATOM 0 H GLY A 47 0.104 -3.369 12.382 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.940 -2.658 12.057 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.327 -3.609 13.394 1.00 11.68 H new ATOM 755 N LYS A 48 1.164 -4.890 10.684 1.00 10.47 N ATOM 756 CA LYS A 48 1.114 -6.144 9.999 1.00 8.82 C ATOM 757 C LYS A 48 1.468 -6.059 8.554 1.00 7.68 C ATOM 758 O LYS A 48 1.144 -5.041 7.944 1.00 6.47 O ATOM 759 CB LYS A 48 -0.242 -6.869 10.029 1.00 9.74 C ATOM 760 CG LYS A 48 -0.926 -7.188 11.360 1.00 14.14 C ATOM 761 CD LYS A 48 -1.645 -6.068 12.114 1.00 16.32 C ATOM 762 CE LYS A 48 -2.958 -5.558 11.516 1.00 20.04 C ATOM 763 NZ LYS A 48 -3.980 -6.619 11.376 1.00 23.92 N ATOM 0 H LYS A 48 0.369 -4.278 10.499 1.00 10.47 H new ATOM 0 HA LYS A 48 1.853 -6.705 10.571 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -0.940 -6.269 9.445 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -0.113 -7.813 9.500 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -1.653 -7.979 11.175 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -0.170 -7.601 12.028 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -1.847 -6.417 13.127 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -0.961 -5.224 12.199 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -3.353 -4.762 12.147 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -2.760 -5.121 10.537 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -4.877 -6.197 11.063 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -3.662 -7.317 10.674 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -4.120 -7.089 12.293 1.00 23.92 H new ATOM 777 N GLN A 49 2.148 -7.086 8.016 1.00 8.89 N ATOM 778 CA GLN A 49 2.382 -7.172 6.608 1.00 7.18 C ATOM 779 C GLN A 49 1.207 -7.443 5.733 1.00 8.23 C ATOM 780 O GLN A 49 0.403 -8.356 5.916 1.00 9.70 O ATOM 781 CB GLN A 49 3.369 -8.329 6.380 1.00 11.67 C ATOM 782 CG GLN A 49 4.086 -8.294 5.029 1.00 15.82 C ATOM 783 CD GLN A 49 5.038 -9.479 4.943 1.00 20.21 C ATOM 784 OE1 GLN A 49 4.821 -10.398 4.155 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.086 -9.565 5.806 1.00 20.67 N ATOM 0 H GLN A 49 2.537 -7.859 8.557 1.00 8.89 H new ATOM 0 HA GLN A 49 2.734 -6.180 6.325 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.116 -8.315 7.174 1.00 11.67 H new ATOM 0 HB3 GLN A 49 2.830 -9.272 6.467 1.00 11.67 H new ATOM 0 HG2 GLN A 49 3.361 -8.334 4.216 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.637 -7.360 4.919 1.00 15.82 H new ATOM 0 HE21 GLN A 49 6.270 -8.806 6.462 1.00 20.67 H new ATOM 0 HE22 GLN A 49 6.687 -10.389 5.797 1.00 20.67 H new ATOM 794 N LEU A 50 1.085 -6.764 4.579 1.00 6.51 N ATOM 795 CA LEU A 50 0.048 -7.050 3.637 1.00 7.41 C ATOM 796 C LEU A 50 0.648 -7.749 2.467 1.00 8.27 C ATOM 797 O LEU A 50 1.450 -7.145 1.756 1.00 8.34 O ATOM 798 CB LEU A 50 -0.710 -5.803 3.149 1.00 7.13 C ATOM 799 CG LEU A 50 -1.173 -4.837 4.252 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.535 -3.493 3.599 1.00 9.11 C ATOM 801 CD2 LEU A 50 -2.336 -5.518 4.994 1.00 8.14 C ATOM 0 H LEU A 50 1.711 -6.010 4.296 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.685 -7.674 4.149 1.00 7.41 H new ATOM 0 HB2 LEU A 50 -0.069 -5.257 2.457 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.584 -6.128 2.584 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.401 -4.617 4.990 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.866 -2.793 4.366 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.660 -3.088 3.092 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.336 -3.644 2.875 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.695 -4.863 5.788 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -3.147 -5.717 4.294 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.991 -6.457 5.427 1.00 8.14 H new ATOM 813 N GLU A 51 0.212 -8.996 2.213 1.00 9.43 N ATOM 814 CA GLU A 51 0.685 -9.745 1.090 1.00 11.90 C ATOM 815 C GLU A 51 -0.065 -9.461 -0.165 1.00 11.49 C ATOM 816 O GLU A 51 -1.223 -9.049 -0.196 1.00 9.88 O ATOM 817 CB GLU A 51 0.672 -11.265 1.324 1.00 16.56 C ATOM 818 CG GLU A 51 1.543 -11.785 2.469 1.00 26.06 C ATOM 819 CD GLU A 51 0.990 -13.105 2.984 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.072 -14.166 2.308 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.388 -13.198 4.088 1.00 33.44 O ATOM 0 H GLU A 51 -0.472 -9.488 2.789 1.00 9.43 H new ATOM 0 HA GLU A 51 1.716 -9.410 0.974 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.357 -11.573 1.510 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.990 -11.755 0.404 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.568 -11.920 2.125 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.572 -11.053 3.276 1.00 26.06 H new ATOM 828 N ASP A 52 0.656 -9.619 -1.290 1.00 12.71 N ATOM 829 CA ASP A 52 0.215 -9.213 -2.589 1.00 16.56 C ATOM 830 C ASP A 52 -1.094 -9.731 -3.078 1.00 15.83 C ATOM 831 O ASP A 52 -1.969 -8.965 -3.480 1.00 17.21 O ATOM 832 CB ASP A 52 1.301 -9.595 -3.608 1.00 21.05 C ATOM 833 CG ASP A 52 2.655 -8.981 -3.282 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.428 -9.585 -2.491 1.00 28.37 O ATOM 835 OD2 ASP A 52 2.997 -7.926 -3.879 1.00 25.82 O ATOM 0 H ASP A 52 1.582 -10.046 -1.295 1.00 12.71 H new ATOM 0 HA ASP A 52 0.049 -8.140 -2.488 1.00 16.56 H new ATOM 0 HB2 ASP A 52 1.397 -10.680 -3.640 1.00 21.05 H new ATOM 0 HB3 ASP A 52 0.990 -9.273 -4.602 1.00 21.05 H new ATOM 840 N GLY A 53 -1.347 -11.049 -2.994 1.00 15.00 N ATOM 841 CA GLY A 53 -2.554 -11.599 -3.530 1.00 11.77 C ATOM 842 C GLY A 53 -3.851 -11.352 -2.839 1.00 11.10 C ATOM 843 O GLY A 53 -4.936 -11.539 -3.386 1.00 11.25 O ATOM 0 H GLY A 53 -0.723 -11.729 -2.559 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -2.654 -11.230 -4.551 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -2.419 -12.679 -3.593 1.00 11.77 H new ATOM 847 N ARG A 54 -3.858 -10.918 -1.566 1.00 8.53 N ATOM 848 CA ARG A 54 -5.064 -10.630 -0.852 1.00 9.05 C ATOM 849 C ARG A 54 -5.684 -9.335 -1.250 1.00 8.96 C ATOM 850 O ARG A 54 -5.038 -8.521 -1.908 1.00 11.60 O ATOM 851 CB ARG A 54 -4.810 -10.681 0.664 1.00 7.97 C ATOM 852 CG ARG A 54 -4.235 -11.974 1.244 1.00 9.62 C ATOM 853 CD ARG A 54 -5.286 -13.081 1.142 1.00 12.20 C ATOM 854 NE ARG A 54 -4.706 -14.281 1.809 1.00 18.23 N ATOM 855 CZ ARG A 54 -5.460 -15.391 2.061 1.00 22.08 C ATOM 856 NH1 ARG A 54 -6.584 -15.690 1.347 1.00 23.38 N ATOM 857 NH2 ARG A 54 -5.076 -16.327 2.977 1.00 25.50 N ATOM 0 H ARG A 54 -3.009 -10.764 -1.021 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.785 -11.403 -1.119 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -4.130 -9.868 0.918 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -5.754 -10.477 1.170 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -3.334 -12.261 0.702 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -3.947 -11.824 2.285 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -6.215 -12.779 1.626 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -5.524 -13.294 0.100 1.00 12.20 H new ATOM 0 HE ARG A 54 -3.724 -14.273 2.083 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -6.888 -15.074 0.593 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -7.120 -16.530 1.567 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -4.205 -16.207 3.494 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -5.660 -17.146 3.144 1.00 25.50 H new ATOM 871 N THR A 55 -6.915 -9.027 -0.803 1.00 9.05 N ATOM 872 CA THR A 55 -7.565 -7.779 -1.058 1.00 9.03 C ATOM 873 C THR A 55 -7.484 -6.831 0.088 1.00 8.15 C ATOM 874 O THR A 55 -7.249 -7.157 1.251 1.00 5.91 O ATOM 875 CB THR A 55 -8.986 -7.783 -1.539 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.824 -8.354 -0.545 1.00 11.95 O ATOM 877 CG2 THR A 55 -9.071 -8.613 -2.831 1.00 11.71 C ATOM 0 H THR A 55 -7.477 -9.669 -0.245 1.00 9.05 H new ATOM 0 HA THR A 55 -6.969 -7.454 -1.911 1.00 9.03 H new ATOM 0 HB THR A 55 -9.314 -6.762 -1.735 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.818 -9.330 -0.633 1.00 11.95 H new ATOM 0 HG21 THR A 55 -10.100 -8.623 -3.190 1.00 11.71 H new ATOM 0 HG22 THR A 55 -8.426 -8.171 -3.590 1.00 11.71 H new ATOM 0 HG23 THR A 55 -8.747 -9.634 -2.629 1.00 11.71 H new ATOM 885 N LEU A 56 -7.850 -5.579 -0.241 1.00 6.91 N ATOM 886 CA LEU A 56 -8.184 -4.511 0.649 1.00 8.29 C ATOM 887 C LEU A 56 -9.260 -4.899 1.604 1.00 8.05 C ATOM 888 O LEU A 56 -9.199 -4.663 2.809 1.00 10.17 O ATOM 889 CB LEU A 56 -8.463 -3.208 -0.119 1.00 6.60 C ATOM 890 CG LEU A 56 -7.221 -2.796 -0.927 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.699 -2.288 -2.298 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.407 -1.698 -0.222 1.00 9.85 C ATOM 0 H LEU A 56 -7.917 -5.291 -1.217 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.315 -4.303 1.273 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.313 -3.345 -0.788 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.732 -2.415 0.579 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.565 -3.660 -1.030 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.838 -1.988 -2.895 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.238 -3.083 -2.813 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.360 -1.433 -2.159 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.540 -1.440 -0.830 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -7.030 -0.814 -0.085 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -6.073 -2.060 0.750 1.00 9.85 H new ATOM 904 N SER A 57 -10.296 -5.535 1.027 1.00 8.92 N ATOM 905 CA SER A 57 -11.418 -5.916 1.828 1.00 9.00 C ATOM 906 C SER A 57 -11.144 -7.116 2.667 1.00 9.44 C ATOM 907 O SER A 57 -11.868 -7.293 3.646 1.00 10.91 O ATOM 908 CB SER A 57 -12.606 -6.279 0.921 1.00 10.32 C ATOM 909 OG SER A 57 -13.808 -6.051 1.642 1.00 13.59 O ATOM 0 H SER A 57 -10.358 -5.779 0.039 1.00 8.92 H new ATOM 0 HA SER A 57 -11.633 -5.064 2.473 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.588 -5.676 0.013 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.542 -7.322 0.612 1.00 10.32 H new ATOM 0 HG SER A 57 -13.700 -6.363 2.565 1.00 13.59 H new ATOM 915 N ASP A 58 -10.159 -7.957 2.303 1.00 9.11 N ATOM 916 CA ASP A 58 -9.695 -9.100 3.025 1.00 7.91 C ATOM 917 C ASP A 58 -9.034 -8.649 4.282 1.00 9.12 C ATOM 918 O ASP A 58 -9.261 -9.173 5.371 1.00 8.61 O ATOM 919 CB ASP A 58 -8.752 -10.007 2.216 1.00 8.41 C ATOM 920 CG ASP A 58 -9.489 -10.832 1.170 1.00 11.50 C ATOM 921 OD1 ASP A 58 -10.583 -11.338 1.536 1.00 11.70 O ATOM 922 OD2 ASP A 58 -9.093 -10.893 -0.024 1.00 10.05 O ATOM 0 H ASP A 58 -9.646 -7.824 1.431 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.569 -9.712 3.249 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.997 -9.394 1.724 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -8.225 -10.676 2.896 1.00 8.41 H new ATOM 927 N TYR A 59 -8.126 -7.660 4.206 1.00 7.97 N ATOM 928 CA TYR A 59 -7.402 -7.097 5.303 1.00 8.45 C ATOM 929 C TYR A 59 -8.051 -6.006 6.083 1.00 10.98 C ATOM 930 O TYR A 59 -7.490 -5.395 6.991 1.00 12.95 O ATOM 931 CB TYR A 59 -6.015 -6.622 4.840 1.00 7.94 C ATOM 932 CG TYR A 59 -5.168 -7.716 4.287 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.839 -8.747 5.134 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.474 -7.571 3.108 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.869 -9.667 4.811 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.507 -8.492 2.779 1.00 5.39 C ATOM 937 CZ TYR A 59 -3.163 -9.504 3.643 1.00 6.76 C ATOM 938 OH TYR A 59 -2.035 -10.337 3.484 1.00 7.63 O ATOM 0 H TYR A 59 -7.882 -7.225 3.317 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.351 -7.930 6.004 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.139 -5.849 4.081 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.497 -6.162 5.682 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -5.356 -8.837 6.078 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.686 -6.743 2.448 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -3.666 -10.503 5.464 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.009 -8.419 1.824 1.00 5.39 H new ATOM 0 HH TYR A 59 -2.184 -11.183 3.956 1.00 7.63 H new ATOM 948 N ASN A 60 -9.317 -5.718 5.733 1.00 12.38 N ATOM 949 CA ASN A 60 -10.204 -4.789 6.363 1.00 13.94 C ATOM 950 C ASN A 60 -9.692 -3.400 6.197 1.00 14.16 C ATOM 951 O ASN A 60 -9.614 -2.674 7.187 1.00 14.26 O ATOM 952 CB ASN A 60 -10.475 -5.154 7.832 1.00 19.23 C ATOM 953 CG ASN A 60 -11.049 -6.561 7.924 1.00 22.65 C ATOM 954 OD1 ASN A 60 -10.343 -7.481 8.334 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.319 -6.801 7.502 1.00 24.09 N ATOM 0 H ASN A 60 -9.758 -6.178 4.937 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.173 -4.845 5.867 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -9.551 -5.092 8.407 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.172 -4.439 8.270 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -12.693 -7.750 7.524 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.898 -6.032 7.164 1.00 24.09 H new ATOM 962 N ILE A 61 -9.258 -3.025 4.981 1.00 11.08 N ATOM 963 CA ILE A 61 -8.692 -1.762 4.620 1.00 11.78 C ATOM 964 C ILE A 61 -9.770 -0.935 4.007 1.00 13.74 C ATOM 965 O ILE A 61 -10.260 -1.245 2.922 1.00 14.60 O ATOM 966 CB ILE A 61 -7.551 -1.844 3.651 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.403 -2.643 4.291 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.031 -0.445 3.280 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.294 -3.044 3.319 1.00 11.42 C ATOM 0 H ILE A 61 -9.308 -3.660 4.184 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.286 -1.328 5.534 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.908 -2.335 2.745 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -5.968 -2.050 5.095 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.814 -3.544 4.746 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.204 -0.539 2.576 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.834 0.132 2.821 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.686 0.065 4.179 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.526 -3.603 3.854 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.711 -3.666 2.528 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.852 -2.149 2.882 1.00 11.42 H new ATOM 981 N GLN A 62 -10.216 0.097 4.744 1.00 13.97 N ATOM 982 CA GLN A 62 -11.383 0.880 4.477 1.00 15.52 C ATOM 983 C GLN A 62 -10.905 2.211 4.008 1.00 13.94 C ATOM 984 O GLN A 62 -9.730 2.501 3.793 1.00 12.15 O ATOM 985 CB GLN A 62 -12.237 1.121 5.734 1.00 19.53 C ATOM 986 CG GLN A 62 -12.788 -0.126 6.429 1.00 26.38 C ATOM 987 CD GLN A 62 -13.397 -1.166 5.500 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.526 -1.121 5.014 1.00 33.23 O ATOM 989 NE2 GLN A 62 -12.607 -2.226 5.179 1.00 32.71 N ATOM 0 H GLN A 62 -9.727 0.405 5.584 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.997 0.349 3.750 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -11.636 1.677 6.454 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.077 1.759 5.460 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -11.982 -0.594 6.995 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -13.545 0.183 7.149 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -11.665 -2.295 5.564 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -12.957 -2.952 4.553 1.00 32.71 H new ATOM 998 N LYS A 63 -11.772 3.221 3.812 1.00 11.73 N ATOM 999 CA LYS A 63 -11.560 4.517 3.248 1.00 11.97 C ATOM 1000 C LYS A 63 -10.820 5.376 4.215 1.00 10.41 C ATOM 1001 O LYS A 63 -11.127 5.389 5.406 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.898 5.095 2.754 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.960 5.246 3.845 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.176 5.844 3.135 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.462 5.841 3.965 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.445 6.451 3.041 1.00 25.97 N ATOM 0 H LYS A 63 -12.748 3.108 4.087 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.923 4.462 2.365 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.715 6.071 2.304 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.291 4.450 1.968 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.201 4.284 4.297 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.612 5.897 4.647 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.946 6.870 2.849 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.352 5.289 2.214 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.753 4.832 4.258 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.354 6.420 4.882 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.374 6.502 3.506 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -17.133 7.410 2.786 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.520 5.871 2.181 1.00 25.97 H new ATOM 1020 N GLU A 64 -9.819 6.048 3.620 1.00 10.04 N ATOM 1021 CA GLU A 64 -8.940 6.918 4.338 1.00 10.94 C ATOM 1022 C GLU A 64 -8.027 6.202 5.273 1.00 9.74 C ATOM 1023 O GLU A 64 -7.595 6.856 6.221 1.00 9.42 O ATOM 1024 CB GLU A 64 -9.585 8.176 4.945 1.00 18.31 C ATOM 1025 CG GLU A 64 -10.309 9.146 4.009 1.00 24.16 C ATOM 1026 CD GLU A 64 -10.819 10.435 4.639 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -10.757 10.654 5.878 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -11.407 11.240 3.868 1.00 32.61 O ATOM 0 H GLU A 64 -9.616 5.986 2.622 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.304 7.327 3.553 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -10.298 7.851 5.703 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -8.804 8.734 5.461 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -9.632 9.407 3.196 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.156 8.624 3.563 1.00 24.16 H new ATOM 1035 N SER A 65 -7.596 4.951 5.035 1.00 6.85 N ATOM 1036 CA SER A 65 -6.543 4.280 5.732 1.00 6.90 C ATOM 1037 C SER A 65 -5.283 5.071 5.663 1.00 4.72 C ATOM 1038 O SER A 65 -5.130 5.809 4.690 1.00 3.91 O ATOM 1039 CB SER A 65 -6.404 2.833 5.230 1.00 7.28 C ATOM 1040 OG SER A 65 -5.859 2.065 6.292 1.00 10.56 O ATOM 0 H SER A 65 -8.011 4.370 4.307 1.00 6.85 H new ATOM 0 HA SER A 65 -6.789 4.207 6.791 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.374 2.437 4.928 1.00 7.28 H new ATOM 0 HB3 SER A 65 -5.756 2.791 4.354 1.00 7.28 H new ATOM 0 HG SER A 65 -5.759 1.134 6.004 1.00 10.56 H new ATOM 1046 N THR A 66 -4.456 4.954 6.717 1.00 4.48 N ATOM 1047 CA THR A 66 -3.076 5.300 6.570 1.00 3.80 C ATOM 1048 C THR A 66 -2.356 3.996 6.559 1.00 4.60 C ATOM 1049 O THR A 66 -2.402 3.205 7.500 1.00 5.33 O ATOM 1050 CB THR A 66 -2.434 6.191 7.592 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.101 7.444 7.543 1.00 2.15 O ATOM 1052 CG2 THR A 66 -0.927 6.398 7.366 1.00 3.40 C ATOM 0 H THR A 66 -4.730 4.630 7.644 1.00 4.48 H new ATOM 0 HA THR A 66 -3.014 5.908 5.668 1.00 3.80 H new ATOM 0 HB THR A 66 -2.527 5.713 8.567 1.00 2.85 H new ATOM 0 HG1 THR A 66 -2.705 8.051 8.203 1.00 2.15 H new ATOM 0 HG21 THR A 66 -0.529 7.052 8.142 1.00 3.40 H new ATOM 0 HG22 THR A 66 -0.417 5.435 7.407 1.00 3.40 H new ATOM 0 HG23 THR A 66 -0.765 6.853 6.389 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.783 3.590 5.411 1.00 4.17 N ATOM 1061 CA LEU A 67 -0.908 2.467 5.277 1.00 3.85 C ATOM 1062 C LEU A 67 0.492 2.977 5.261 1.00 3.80 C ATOM 1063 O LEU A 67 0.849 4.060 4.799 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.113 1.780 3.916 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.555 1.321 3.639 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.646 0.722 2.225 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -3.076 0.249 4.612 1.00 8.12 C ATOM 0 H LEU A 67 -1.940 4.074 4.527 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.106 1.773 6.094 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.807 2.468 3.127 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.453 0.914 3.858 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.167 2.215 3.760 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.669 0.398 2.032 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.360 1.476 1.491 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.974 -0.133 2.148 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -4.099 -0.018 4.346 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.443 -0.636 4.551 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -3.056 0.640 5.629 1.00 8.12 H new ATOM 1079 N HIS A 68 1.384 2.164 5.854 1.00 2.94 N ATOM 1080 CA HIS A 68 2.754 2.552 5.982 1.00 4.17 C ATOM 1081 C HIS A 68 3.598 1.819 4.998 1.00 5.32 C ATOM 1082 O HIS A 68 3.534 0.590 5.000 1.00 7.70 O ATOM 1083 CB HIS A 68 3.414 2.392 7.362 1.00 5.57 C ATOM 1084 CG HIS A 68 3.152 3.535 8.297 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.902 3.830 8.801 1.00 13.74 N ATOM 1086 CD2 HIS A 68 3.924 4.623 8.564 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.970 5.051 9.398 1.00 14.75 C ATOM 1088 NE2 HIS A 68 3.167 5.575 9.214 1.00 16.30 N ATOM 0 H HIS A 68 1.160 1.247 6.241 1.00 2.94 H new ATOM 0 HA HIS A 68 2.708 3.626 5.800 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.055 1.471 7.821 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.490 2.284 7.229 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.074 3.238 8.737 1.00 13.74 H new ATOM 0 HD2 HIS A 68 4.968 4.725 8.307 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.164 5.521 9.942 1.00 14.75 H new ATOM 1096 N LEU A 69 4.259 2.486 4.035 1.00 5.29 N ATOM 1097 CA LEU A 69 5.016 1.795 3.037 1.00 3.97 C ATOM 1098 C LEU A 69 6.436 1.756 3.488 1.00 5.07 C ATOM 1099 O LEU A 69 7.115 2.781 3.453 1.00 4.34 O ATOM 1100 CB LEU A 69 5.019 2.612 1.734 1.00 6.08 C ATOM 1101 CG LEU A 69 5.891 2.167 0.548 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.741 0.682 0.177 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.553 2.982 -0.711 1.00 6.87 C ATOM 0 H LEU A 69 4.270 3.502 3.947 1.00 5.29 H new ATOM 0 HA LEU A 69 4.589 0.804 2.884 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.989 2.660 1.379 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.315 3.629 1.990 1.00 6.08 H new ATOM 0 HG LEU A 69 6.915 2.336 0.882 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.389 0.451 -0.668 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.022 0.064 1.030 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.705 0.477 -0.094 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.181 2.651 -1.538 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.505 2.834 -0.970 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.733 4.040 -0.519 1.00 6.87 H new ATOM 1115 N VAL A 70 6.938 0.536 3.751 1.00 4.29 N ATOM 1116 CA VAL A 70 8.311 0.353 4.107 1.00 6.26 C ATOM 1117 C VAL A 70 9.027 -0.310 2.981 1.00 9.22 C ATOM 1118 O VAL A 70 8.489 -1.082 2.189 1.00 9.36 O ATOM 1119 CB VAL A 70 8.516 -0.359 5.411 1.00 8.69 C ATOM 1120 CG1 VAL A 70 7.684 0.379 6.473 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.065 -1.822 5.256 1.00 8.54 C ATOM 0 H VAL A 70 6.392 -0.325 3.717 1.00 4.29 H new ATOM 0 HA VAL A 70 8.739 1.341 4.276 1.00 6.26 H new ATOM 0 HB VAL A 70 9.563 -0.363 5.713 1.00 8.69 H new ATOM 0 HG11 VAL A 70 7.808 -0.112 7.438 1.00 9.76 H new ATOM 0 HG12 VAL A 70 8.021 1.413 6.546 1.00 9.76 H new ATOM 0 HG13 VAL A 70 6.632 0.360 6.189 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.210 -2.349 6.199 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.010 -1.851 4.983 1.00 8.54 H new ATOM 0 HG23 VAL A 70 8.655 -2.304 4.476 1.00 8.54 H new ATOM 1131 N LEU A 71 10.292 0.119 2.817 1.00 12.71 N ATOM 1132 CA LEU A 71 11.076 -0.195 1.664 1.00 16.06 C ATOM 1133 C LEU A 71 12.379 -0.856 1.958 1.00 18.09 C ATOM 1134 O LEU A 71 13.133 -0.488 2.857 1.00 19.26 O ATOM 1135 CB LEU A 71 11.385 1.079 0.859 1.00 17.10 C ATOM 1136 CG LEU A 71 10.235 1.734 0.075 1.00 19.37 C ATOM 1137 CD1 LEU A 71 10.655 3.175 -0.260 1.00 19.57 C ATOM 1138 CD2 LEU A 71 9.927 0.918 -1.192 1.00 17.51 C ATOM 0 H LEU A 71 10.780 0.697 3.501 1.00 12.71 H new ATOM 0 HA LEU A 71 10.462 -0.900 1.103 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.784 1.822 1.550 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.180 0.842 0.151 1.00 17.10 H new ATOM 0 HG LEU A 71 9.321 1.756 0.668 1.00 19.37 H new ATOM 0 HD11 LEU A 71 9.857 3.666 -0.817 1.00 19.57 H new ATOM 0 HD12 LEU A 71 10.843 3.723 0.663 1.00 19.57 H new ATOM 0 HD13 LEU A 71 11.562 3.158 -0.864 1.00 19.57 H new ATOM 0 HD21 LEU A 71 9.111 1.390 -1.740 1.00 17.51 H new ATOM 0 HD22 LEU A 71 10.814 0.879 -1.824 1.00 17.51 H new ATOM 0 HD23 LEU A 71 9.637 -0.094 -0.911 1.00 17.51 H new ATOM 1150 N ARG A 72 12.765 -1.721 1.003 1.00 21.47 N ATOM 1151 CA ARG A 72 14.033 -2.380 1.067 1.00 25.83 C ATOM 1152 C ARG A 72 14.978 -1.392 0.475 1.00 27.74 C ATOM 1153 O ARG A 72 14.709 -0.649 -0.468 1.00 30.65 O ATOM 1154 CB ARG A 72 14.000 -3.690 0.262 1.00 28.49 C ATOM 1155 CG ARG A 72 15.241 -4.582 0.315 1.00 31.79 C ATOM 1156 CD ARG A 72 15.213 -5.819 -0.585 1.00 34.05 C ATOM 1157 NE ARG A 72 15.092 -5.219 -1.943 1.00 35.08 N ATOM 1158 CZ ARG A 72 14.599 -5.918 -3.007 1.00 34.67 C ATOM 1159 NH1 ARG A 72 14.011 -7.150 -2.994 1.00 35.02 N ATOM 1160 NH2 ARG A 72 14.578 -5.237 -4.191 1.00 34.97 N ATOM 0 H ARG A 72 12.201 -1.964 0.189 1.00 21.47 H new ATOM 0 HA ARG A 72 14.320 -2.665 2.079 1.00 25.83 H new ATOM 0 HB2 ARG A 72 13.149 -4.276 0.608 1.00 28.49 H new ATOM 0 HB3 ARG A 72 13.810 -3.439 -0.782 1.00 28.49 H new ATOM 0 HG2 ARG A 72 16.109 -3.980 0.046 1.00 31.79 H new ATOM 0 HG3 ARG A 72 15.386 -4.909 1.345 1.00 31.79 H new ATOM 0 HD2 ARG A 72 16.119 -6.417 -0.483 1.00 34.05 H new ATOM 0 HD3 ARG A 72 14.372 -6.472 -0.352 1.00 34.05 H new ATOM 0 HE ARG A 72 15.388 -4.253 -2.083 1.00 35.08 H new ATOM 0 HH11 ARG A 72 13.901 -7.653 -2.114 1.00 35.02 H new ATOM 0 HH12 ARG A 72 13.682 -7.567 -3.865 1.00 35.02 H new ATOM 0 HH21 ARG A 72 14.916 -4.276 -4.232 1.00 34.97 H new ATOM 0 HH22 ARG A 72 14.224 -5.690 -5.034 1.00 34.97 H new ATOM 1174 N LEU A 73 16.168 -1.292 1.095 1.00 28.93 N ATOM 1175 CA LEU A 73 17.095 -0.235 0.833 1.00 30.76 C ATOM 1176 C LEU A 73 17.813 -0.379 -0.465 1.00 32.18 C ATOM 1177 O LEU A 73 18.425 -1.382 -0.832 1.00 32.31 O ATOM 1178 CB LEU A 73 18.127 -0.201 1.972 1.00 30.53 C ATOM 1179 CG LEU A 73 19.084 1.003 2.013 1.00 30.16 C ATOM 1180 CD1 LEU A 73 18.253 2.293 1.902 1.00 29.11 C ATOM 1181 CD2 LEU A 73 19.907 1.009 3.312 1.00 29.57 C ATOM 0 H LEU A 73 16.493 -1.960 1.794 1.00 28.93 H new ATOM 0 HA LEU A 73 16.521 0.690 0.773 1.00 30.76 H new ATOM 0 HB2 LEU A 73 17.588 -0.237 2.919 1.00 30.53 H new ATOM 0 HB3 LEU A 73 18.727 -1.109 1.912 1.00 30.53 H new ATOM 0 HG LEU A 73 19.784 0.936 1.180 1.00 30.16 H new ATOM 0 HD11 LEU A 73 18.917 3.157 1.930 1.00 29.11 H new ATOM 0 HD12 LEU A 73 17.700 2.290 0.963 1.00 29.11 H new ATOM 0 HD13 LEU A 73 17.552 2.347 2.735 1.00 29.11 H new ATOM 0 HD21 LEU A 73 20.575 1.870 3.315 1.00 29.57 H new ATOM 0 HD22 LEU A 73 19.235 1.068 4.168 1.00 29.57 H new ATOM 0 HD23 LEU A 73 20.495 0.093 3.374 1.00 29.57 H new ATOM 1193 N ARG A 74 17.694 0.692 -1.270 1.00 33.82 N ATOM 1194 CA ARG A 74 18.414 0.912 -2.485 1.00 35.33 C ATOM 1195 C ARG A 74 19.174 2.192 -2.421 1.00 36.22 C ATOM 1196 O ARG A 74 20.302 2.328 -2.893 1.00 36.70 O ATOM 1197 CB ARG A 74 17.478 0.801 -3.701 1.00 36.91 C ATOM 1198 CG ARG A 74 18.045 1.244 -5.051 1.00 38.62 C ATOM 1199 CD ARG A 74 17.075 0.909 -6.186 1.00 39.75 C ATOM 1200 NE ARG A 74 17.550 1.582 -7.428 1.00 41.13 N ATOM 1201 CZ ARG A 74 16.688 1.754 -8.472 1.00 41.91 C ATOM 1202 NH1 ARG A 74 15.710 0.851 -8.777 1.00 42.75 N ATOM 1203 NH2 ARG A 74 16.914 2.787 -9.336 1.00 41.93 N ATOM 0 H ARG A 74 17.051 1.455 -1.056 1.00 33.82 H new ATOM 0 HA ARG A 74 19.160 0.128 -2.612 1.00 35.33 H new ATOM 0 HB2 ARG A 74 17.159 -0.238 -3.791 1.00 36.91 H new ATOM 0 HB3 ARG A 74 16.585 1.392 -3.497 1.00 36.91 H new ATOM 0 HG2 ARG A 74 18.236 2.317 -5.035 1.00 38.62 H new ATOM 0 HG3 ARG A 74 19.002 0.752 -5.227 1.00 38.62 H new ATOM 0 HD2 ARG A 74 17.025 -0.170 -6.335 1.00 39.75 H new ATOM 0 HD3 ARG A 74 16.068 1.244 -5.935 1.00 39.75 H new ATOM 0 HE ARG A 74 18.513 1.912 -7.497 1.00 41.13 H new ATOM 0 HH11 ARG A 74 15.602 0.007 -8.215 1.00 42.75 H new ATOM 0 HH12 ARG A 74 15.088 1.021 -9.567 1.00 42.75 H new ATOM 0 HH21 ARG A 74 17.711 3.407 -9.192 1.00 41.93 H new ATOM 0 HH22 ARG A 74 16.286 2.939 -10.125 1.00 41.93 H new ATOM 1217 N GLY A 75 18.528 3.197 -1.803 1.00 36.31 N ATOM 1218 CA GLY A 75 19.294 4.373 -1.530 1.00 36.07 C ATOM 1219 C GLY A 75 18.602 5.601 -1.048 1.00 36.16 C ATOM 1220 O GLY A 75 18.886 6.117 0.032 1.00 36.26 O ATOM 0 H GLY A 75 17.551 3.204 -1.511 1.00 36.31 H new ATOM 0 HA2 GLY A 75 20.046 4.108 -0.787 1.00 36.07 H new ATOM 0 HA3 GLY A 75 19.827 4.635 -2.444 1.00 36.07 H new ATOM 1224 N GLY A 76 17.639 6.220 -1.754 1.00 36.05 N ATOM 1225 CA GLY A 76 17.091 7.466 -1.316 1.00 36.19 C ATOM 1226 C GLY A 76 15.931 7.750 -2.259 1.00 36.20 C ATOM 1227 O GLY A 76 15.305 8.842 -2.193 1.00 36.13 O ATOM 1228 OXT GLY A 76 15.674 6.878 -3.132 1.00 36.27 O ATOM 0 H GLY A 76 17.242 5.861 -2.622 1.00 36.05 H new ATOM 0 HA2 GLY A 76 16.751 7.404 -0.282 1.00 36.19 H new ATOM 0 HA3 GLY A 76 17.836 8.260 -1.359 1.00 36.19 H new TER 1232 GLY A 76