USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot -54:sc= 1.2 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.4 K(o=2.6,f=-3.6!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 161:sc= 0.186 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.182 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.532 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -168:sc= -0.496 (180deg=-0.621) USER MOD Single : A 1 MET N :NH3+ -152:sc= 1.34 (180deg=1.05) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.097) USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= 0.899 (180deg=-0.776!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 1.27 (180deg=1.15) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 0.0221 (180deg=0.0185) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.63 K(o=0.63,f=-3.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -38:sc= 1.24 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.777 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= 1.05 (180deg=0.308) USER MOD Single : A 65 SER OG : rot 107:sc= 1.15 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.749 -4.621 -4.463 1.00 0.78 N ATOM 2 CA MET A 1 12.576 -5.096 -3.072 1.00 0.70 C ATOM 3 C MET A 1 11.178 -5.554 -2.839 1.00 0.62 C ATOM 4 O MET A 1 10.509 -5.343 -3.849 1.00 0.68 O ATOM 5 CB MET A 1 12.922 -4.042 -2.006 1.00 0.75 C ATOM 6 CG MET A 1 11.946 -2.876 -1.826 1.00 0.79 C ATOM 7 SD MET A 1 12.451 -1.912 -0.369 1.00 1.10 S ATOM 8 CE MET A 1 11.017 -0.818 -0.579 1.00 0.84 C ATOM 0 H1 MET A 1 13.738 -4.756 -4.755 1.00 0.78 H new ATOM 0 H2 MET A 1 12.124 -5.162 -5.095 1.00 0.78 H new ATOM 0 H3 MET A 1 12.507 -3.611 -4.518 1.00 0.78 H new ATOM 0 HA MET A 1 13.281 -5.921 -2.965 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.019 -4.552 -1.047 1.00 0.75 H new ATOM 0 HB3 MET A 1 13.901 -3.628 -2.247 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.944 -2.245 -2.715 1.00 0.79 H new ATOM 0 HG3 MET A 1 10.930 -3.250 -1.698 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.131 0.058 0.060 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.950 -0.502 -1.620 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.108 -1.353 -0.303 1.00 0.84 H new ATOM 20 N GLN A 2 10.828 -6.118 -1.669 1.00 0.59 N ATOM 21 CA GLN A 2 9.509 -6.500 -1.270 1.00 0.56 C ATOM 22 C GLN A 2 8.819 -5.892 -0.099 1.00 0.50 C ATOM 23 O GLN A 2 9.455 -5.696 0.936 1.00 0.60 O ATOM 24 CB GLN A 2 9.433 -8.021 -1.058 1.00 0.71 C ATOM 25 CG GLN A 2 10.195 -8.487 0.185 1.00 1.15 C ATOM 26 CD GLN A 2 10.708 -9.909 0.016 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.265 -10.800 0.738 1.00 1.87 O ATOM 28 NE2 GLN A 2 11.739 -10.186 -0.828 1.00 1.72 N ATOM 0 H GLN A 2 11.521 -6.322 -0.949 1.00 0.59 H new ATOM 0 HA GLN A 2 8.969 -6.086 -2.121 1.00 0.56 H new ATOM 0 HB2 GLN A 2 8.388 -8.319 -0.971 1.00 0.71 H new ATOM 0 HB3 GLN A 2 9.836 -8.526 -1.936 1.00 0.71 H new ATOM 0 HG2 GLN A 2 11.033 -7.816 0.374 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.542 -8.435 1.056 1.00 1.15 H new ATOM 0 HE21 GLN A 2 12.115 -9.455 -1.432 1.00 1.72 H new ATOM 0 HE22 GLN A 2 12.136 -11.125 -0.857 1.00 1.72 H new ATOM 37 N ILE A 3 7.489 -5.746 -0.244 1.00 0.44 N ATOM 38 CA ILE A 3 6.621 -5.269 0.787 1.00 0.42 C ATOM 39 C ILE A 3 5.490 -6.225 0.956 1.00 0.40 C ATOM 40 O ILE A 3 5.116 -6.987 0.066 1.00 0.50 O ATOM 41 CB ILE A 3 6.207 -3.828 0.780 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.287 -3.483 -0.403 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.423 -2.897 0.930 1.00 0.61 C ATOM 44 CD1 ILE A 3 4.884 -2.019 -0.572 1.00 0.72 C ATOM 0 H ILE A 3 7.001 -5.969 -1.112 1.00 0.44 H new ATOM 0 HA ILE A 3 7.245 -5.249 1.680 1.00 0.42 H new ATOM 0 HB ILE A 3 5.589 -3.654 1.661 1.00 0.48 H new ATOM 0 HG12 ILE A 3 5.781 -3.805 -1.320 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.377 -4.075 -0.306 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.090 -1.859 0.921 1.00 0.61 H new ATOM 0 HG22 ILE A 3 7.929 -3.108 1.872 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.113 -3.064 0.103 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.236 -1.918 -1.443 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.351 -1.683 0.318 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.777 -1.410 -0.712 1.00 0.72 H new ATOM 56 N PHE A 4 4.894 -6.270 2.162 1.00 0.37 N ATOM 57 CA PHE A 4 3.804 -7.159 2.416 1.00 0.38 C ATOM 58 C PHE A 4 2.707 -6.165 2.583 1.00 0.39 C ATOM 59 O PHE A 4 2.724 -5.338 3.494 1.00 0.60 O ATOM 60 CB PHE A 4 4.020 -8.037 3.660 1.00 0.45 C ATOM 61 CG PHE A 4 5.293 -8.780 3.448 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.642 -9.358 2.250 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.163 -8.910 4.505 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.785 -10.118 2.160 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.372 -9.545 4.340 1.00 1.40 C ATOM 66 CZ PHE A 4 7.688 -10.230 3.191 1.00 0.85 C ATOM 0 H PHE A 4 5.166 -5.693 2.958 1.00 0.37 H new ATOM 0 HA PHE A 4 3.630 -7.907 1.642 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.075 -7.425 4.560 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.187 -8.728 3.795 1.00 0.45 H new ATOM 0 HD1 PHE A 4 5.019 -9.215 1.380 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.895 -8.511 5.472 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.982 -10.649 1.241 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.097 -9.504 5.140 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.589 -10.819 3.103 1.00 0.85 H new ATOM 76 N VAL A 5 1.658 -6.262 1.746 1.00 0.35 N ATOM 77 CA VAL A 5 0.522 -5.397 1.812 1.00 0.35 C ATOM 78 C VAL A 5 -0.616 -6.269 2.220 1.00 0.35 C ATOM 79 O VAL A 5 -1.162 -7.101 1.496 1.00 0.46 O ATOM 80 CB VAL A 5 0.194 -4.740 0.503 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.131 -3.969 0.634 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.303 -3.743 0.125 1.00 0.56 C ATOM 0 H VAL A 5 1.599 -6.960 1.005 1.00 0.35 H new ATOM 0 HA VAL A 5 0.724 -4.584 2.509 1.00 0.35 H new ATOM 0 HB VAL A 5 0.110 -5.508 -0.266 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.370 -3.492 -0.316 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.929 -4.661 0.903 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.034 -3.208 1.408 1.00 0.58 H new ATOM 0 HG21 VAL A 5 1.058 -3.270 -0.826 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.386 -2.980 0.899 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.252 -4.272 0.034 1.00 0.56 H new ATOM 92 N LYS A 6 -1.142 -6.066 3.440 1.00 0.36 N ATOM 93 CA LYS A 6 -2.261 -6.785 3.965 1.00 0.39 C ATOM 94 C LYS A 6 -3.598 -6.203 3.658 1.00 0.46 C ATOM 95 O LYS A 6 -3.721 -4.979 3.689 1.00 0.53 O ATOM 96 CB LYS A 6 -2.234 -7.068 5.477 1.00 0.54 C ATOM 97 CG LYS A 6 -1.051 -7.899 5.975 1.00 1.22 C ATOM 98 CD LYS A 6 -1.271 -8.404 7.403 1.00 1.37 C ATOM 99 CE LYS A 6 -1.899 -9.790 7.572 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.929 -10.899 7.435 1.00 2.09 N ATOM 0 H LYS A 6 -0.772 -5.371 4.089 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.133 -7.722 3.424 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -2.233 -6.115 6.006 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -3.156 -7.583 5.748 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.898 -8.748 5.309 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.143 -7.297 5.938 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.307 -8.407 7.911 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.903 -7.683 7.922 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -2.370 -9.849 8.553 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -2.689 -9.915 6.831 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -1.323 -11.760 7.865 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.739 -11.072 6.427 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.042 -10.646 7.916 1.00 2.09 H new ATOM 114 N THR A 7 -4.657 -7.005 3.450 1.00 0.58 N ATOM 115 CA THR A 7 -6.008 -6.604 3.206 1.00 0.78 C ATOM 116 C THR A 7 -6.741 -6.575 4.503 1.00 0.94 C ATOM 117 O THR A 7 -6.241 -7.144 5.473 1.00 0.99 O ATOM 118 CB THR A 7 -6.729 -7.269 2.071 1.00 0.90 C ATOM 119 OG1 THR A 7 -7.051 -8.608 2.413 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.720 -7.407 0.920 1.00 0.92 C ATOM 0 H THR A 7 -4.558 -8.020 3.453 1.00 0.58 H new ATOM 0 HA THR A 7 -5.968 -5.594 2.798 1.00 0.78 H new ATOM 0 HB THR A 7 -7.620 -6.691 1.827 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.523 -9.032 1.666 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.202 -7.888 0.069 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.366 -6.419 0.626 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.875 -8.012 1.248 1.00 0.92 H new ATOM 128 N LEU A 8 -7.904 -5.912 4.618 1.00 1.17 N ATOM 129 CA LEU A 8 -8.750 -5.844 5.769 1.00 1.39 C ATOM 130 C LEU A 8 -9.308 -7.181 6.118 1.00 1.44 C ATOM 131 O LEU A 8 -9.422 -7.586 7.274 1.00 1.60 O ATOM 132 CB LEU A 8 -9.943 -4.943 5.409 1.00 1.66 C ATOM 133 CG LEU A 8 -9.519 -3.479 5.201 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.755 -2.686 4.742 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.035 -2.719 6.448 1.00 2.43 C ATOM 0 H LEU A 8 -8.285 -5.377 3.837 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.166 -5.469 6.610 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.417 -5.315 4.501 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.689 -4.995 6.202 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.689 -3.542 4.498 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.481 -1.642 4.587 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.130 -3.105 3.808 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.531 -2.748 5.505 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -8.766 -1.700 6.171 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.832 -2.694 7.191 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.164 -3.224 6.866 1.00 2.43 H new ATOM 147 N THR A 9 -9.461 -8.006 5.067 1.00 1.41 N ATOM 148 CA THR A 9 -10.040 -9.307 5.193 1.00 1.51 C ATOM 149 C THR A 9 -9.064 -10.342 5.636 1.00 1.37 C ATOM 150 O THR A 9 -9.228 -11.165 6.534 1.00 1.62 O ATOM 151 CB THR A 9 -10.910 -9.771 4.063 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.339 -9.660 2.768 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.099 -8.797 4.000 1.00 2.08 C ATOM 0 H THR A 9 -9.179 -7.767 4.116 1.00 1.41 H new ATOM 0 HA THR A 9 -10.755 -9.167 6.004 1.00 1.51 H new ATOM 0 HB THR A 9 -11.125 -10.820 4.268 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.977 -9.987 2.100 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.767 -9.090 3.190 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.641 -8.823 4.945 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.732 -7.786 3.820 1.00 2.08 H new ATOM 161 N GLY A 10 -7.853 -10.379 5.052 1.00 1.18 N ATOM 162 CA GLY A 10 -6.815 -11.232 5.540 1.00 1.22 C ATOM 163 C GLY A 10 -5.826 -11.721 4.539 1.00 0.99 C ATOM 164 O GLY A 10 -5.217 -12.760 4.788 1.00 1.31 O ATOM 0 H GLY A 10 -7.593 -9.818 4.241 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.274 -10.697 6.320 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.280 -12.098 6.011 1.00 1.22 H new ATOM 168 N LYS A 11 -5.602 -11.049 3.396 1.00 0.73 N ATOM 169 CA LYS A 11 -4.783 -11.537 2.331 1.00 0.60 C ATOM 170 C LYS A 11 -3.521 -10.756 2.473 1.00 0.51 C ATOM 171 O LYS A 11 -3.545 -9.560 2.760 1.00 0.63 O ATOM 172 CB LYS A 11 -5.389 -11.360 0.928 1.00 0.75 C ATOM 173 CG LYS A 11 -4.634 -12.063 -0.203 1.00 0.87 C ATOM 174 CD LYS A 11 -5.329 -11.877 -1.553 1.00 1.04 C ATOM 175 CE LYS A 11 -4.485 -12.419 -2.708 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.299 -12.288 -3.937 1.00 1.40 N ATOM 0 H LYS A 11 -6.006 -10.132 3.207 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.650 -12.616 2.410 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.414 -11.730 0.943 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.438 -10.295 0.703 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.618 -11.671 -0.260 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.553 -13.127 0.020 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.293 -12.385 -1.538 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.529 -10.818 -1.715 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.554 -11.860 -2.801 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.215 -13.461 -2.533 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.672 -12.232 -4.765 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.922 -13.115 -4.030 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.876 -11.424 -3.881 1.00 1.40 H new ATOM 190 N THR A 12 -2.359 -11.424 2.360 1.00 0.49 N ATOM 191 CA THR A 12 -1.098 -10.759 2.259 1.00 0.48 C ATOM 192 C THR A 12 -0.692 -10.663 0.829 1.00 0.52 C ATOM 193 O THR A 12 -0.392 -11.728 0.290 1.00 0.72 O ATOM 194 CB THR A 12 0.075 -11.338 2.993 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.260 -11.509 4.363 1.00 0.77 O ATOM 196 CG2 THR A 12 1.252 -10.360 3.145 1.00 0.78 C ATOM 0 H THR A 12 -2.294 -12.442 2.338 1.00 0.49 H new ATOM 0 HA THR A 12 -1.307 -9.805 2.744 1.00 0.48 H new ATOM 0 HB THR A 12 0.326 -12.233 2.423 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.506 -11.889 4.842 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.063 -10.848 3.685 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.604 -10.058 2.159 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.925 -9.480 3.699 1.00 0.78 H new ATOM 204 N ILE A 13 -0.614 -9.501 0.155 1.00 0.48 N ATOM 205 CA ILE A 13 -0.155 -9.332 -1.189 1.00 0.55 C ATOM 206 C ILE A 13 1.284 -8.968 -1.067 1.00 0.51 C ATOM 207 O ILE A 13 1.636 -7.973 -0.433 1.00 0.56 O ATOM 208 CB ILE A 13 -0.822 -8.299 -2.048 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.327 -8.296 -1.724 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.523 -8.673 -3.509 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.111 -7.268 -2.538 1.00 1.55 C ATOM 0 H ILE A 13 -0.892 -8.617 0.581 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.385 -10.265 -1.703 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.454 -7.289 -1.867 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.736 -9.289 -1.913 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.464 -8.091 -0.662 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.990 -7.946 -4.174 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.555 -8.673 -3.671 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.921 -9.666 -3.719 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.165 -7.315 -2.264 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.726 -6.270 -2.331 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.002 -7.485 -3.601 1.00 1.55 H new ATOM 223 N THR A 14 2.211 -9.756 -1.640 1.00 0.55 N ATOM 224 CA THR A 14 3.602 -9.427 -1.605 1.00 0.54 C ATOM 225 C THR A 14 3.855 -8.658 -2.856 1.00 0.55 C ATOM 226 O THR A 14 3.609 -9.129 -3.965 1.00 0.72 O ATOM 227 CB THR A 14 4.464 -10.654 -1.635 1.00 0.67 C ATOM 228 OG1 THR A 14 4.164 -11.527 -0.554 1.00 1.08 O ATOM 229 CG2 THR A 14 5.901 -10.160 -1.403 1.00 1.03 C ATOM 0 H THR A 14 1.996 -10.625 -2.130 1.00 0.55 H new ATOM 0 HA THR A 14 3.838 -8.878 -0.693 1.00 0.54 H new ATOM 0 HB THR A 14 4.314 -11.184 -2.575 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.741 -12.318 -0.602 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.584 -11.010 -1.413 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.178 -9.462 -2.193 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.962 -9.657 -0.438 1.00 1.03 H new ATOM 237 N LEU A 15 4.405 -7.437 -2.725 1.00 0.50 N ATOM 238 CA LEU A 15 4.619 -6.505 -3.788 1.00 0.55 C ATOM 239 C LEU A 15 6.063 -6.173 -3.943 1.00 0.52 C ATOM 240 O LEU A 15 6.781 -5.866 -2.993 1.00 0.58 O ATOM 241 CB LEU A 15 3.858 -5.192 -3.542 1.00 0.69 C ATOM 242 CG LEU A 15 2.325 -5.324 -3.576 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.830 -3.872 -3.469 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.635 -5.967 -4.791 1.00 1.55 C ATOM 0 H LEU A 15 4.719 -7.080 -1.822 1.00 0.50 H new ATOM 0 HA LEU A 15 4.251 -6.987 -4.694 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.154 -4.792 -2.572 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.164 -4.464 -4.293 1.00 0.69 H new ATOM 0 HG LEU A 15 2.068 -6.022 -2.779 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.740 -3.857 -3.485 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.186 -3.434 -2.536 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.213 -3.294 -4.310 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.556 -5.973 -4.636 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.870 -5.394 -5.688 1.00 1.55 H new ATOM 0 HD23 LEU A 15 1.990 -6.991 -4.911 1.00 1.55 H new ATOM 256 N GLU A 16 6.538 -6.271 -5.197 1.00 0.59 N ATOM 257 CA GLU A 16 7.856 -5.912 -5.624 1.00 0.63 C ATOM 258 C GLU A 16 7.785 -4.448 -5.898 1.00 0.65 C ATOM 259 O GLU A 16 7.018 -4.013 -6.756 1.00 0.81 O ATOM 260 CB GLU A 16 8.375 -6.721 -6.825 1.00 0.76 C ATOM 261 CG GLU A 16 9.142 -7.873 -6.176 1.00 1.41 C ATOM 262 CD GLU A 16 9.910 -8.751 -7.155 1.00 1.52 C ATOM 263 OE1 GLU A 16 9.217 -9.528 -7.863 1.00 1.95 O ATOM 264 OE2 GLU A 16 11.167 -8.748 -7.251 1.00 1.92 O ATOM 0 H GLU A 16 5.964 -6.624 -5.963 1.00 0.59 H new ATOM 0 HA GLU A 16 8.588 -6.150 -4.852 1.00 0.63 H new ATOM 0 HB2 GLU A 16 7.557 -7.084 -7.448 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.020 -6.120 -7.465 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.843 -7.462 -5.449 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.438 -8.496 -5.624 1.00 1.41 H new ATOM 271 N VAL A 17 8.701 -3.691 -5.270 1.00 0.61 N ATOM 272 CA VAL A 17 8.818 -2.266 -5.324 1.00 0.63 C ATOM 273 C VAL A 17 10.237 -1.810 -5.316 1.00 0.65 C ATOM 274 O VAL A 17 11.114 -2.556 -4.882 1.00 0.76 O ATOM 275 CB VAL A 17 8.093 -1.517 -4.246 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.567 -1.663 -4.378 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.404 -1.988 -2.815 1.00 0.92 C ATOM 0 H VAL A 17 9.417 -4.110 -4.677 1.00 0.61 H new ATOM 0 HA VAL A 17 8.336 -2.029 -6.273 1.00 0.63 H new ATOM 0 HB VAL A 17 8.441 -0.494 -4.389 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.078 -1.106 -3.579 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.246 -1.271 -5.343 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.295 -2.716 -4.306 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.835 -1.390 -2.103 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.128 -3.037 -2.709 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.470 -1.871 -2.617 1.00 0.92 H new ATOM 287 N GLU A 18 10.452 -0.520 -5.627 1.00 0.68 N ATOM 288 CA GLU A 18 11.694 0.121 -5.324 1.00 0.74 C ATOM 289 C GLU A 18 11.519 1.301 -4.433 1.00 0.71 C ATOM 290 O GLU A 18 10.404 1.818 -4.461 1.00 0.74 O ATOM 291 CB GLU A 18 12.476 0.478 -6.599 1.00 0.88 C ATOM 292 CG GLU A 18 11.644 1.391 -7.503 1.00 1.16 C ATOM 293 CD GLU A 18 12.576 1.990 -8.547 1.00 1.71 C ATOM 294 OE1 GLU A 18 13.684 2.504 -8.235 1.00 2.33 O ATOM 295 OE2 GLU A 18 12.102 2.017 -9.713 1.00 2.35 O ATOM 0 H GLU A 18 9.767 0.079 -6.088 1.00 0.68 H new ATOM 0 HA GLU A 18 12.292 -0.602 -4.769 1.00 0.74 H new ATOM 0 HB2 GLU A 18 13.410 0.974 -6.333 1.00 0.88 H new ATOM 0 HB3 GLU A 18 12.740 -0.432 -7.137 1.00 0.88 H new ATOM 0 HG2 GLU A 18 10.845 0.827 -7.984 1.00 1.16 H new ATOM 0 HG3 GLU A 18 11.170 2.179 -6.917 1.00 1.16 H new ATOM 302 N PRO A 19 12.402 1.904 -3.691 1.00 0.74 N ATOM 303 CA PRO A 19 12.139 3.000 -2.806 1.00 0.74 C ATOM 304 C PRO A 19 11.591 4.203 -3.493 1.00 0.70 C ATOM 305 O PRO A 19 10.835 4.944 -2.865 1.00 0.74 O ATOM 306 CB PRO A 19 13.502 3.290 -2.180 1.00 0.86 C ATOM 307 CG PRO A 19 14.165 1.907 -2.078 1.00 0.95 C ATOM 308 CD PRO A 19 13.718 1.342 -3.435 1.00 0.82 C ATOM 0 HA PRO A 19 11.368 2.747 -2.078 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.089 3.970 -2.798 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.400 3.757 -1.201 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.249 1.963 -1.979 1.00 0.95 H new ATOM 0 HG3 PRO A 19 13.798 1.323 -1.234 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.420 1.618 -4.222 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.679 0.253 -3.410 1.00 0.82 H new ATOM 316 N SER A 20 11.883 4.345 -4.799 1.00 0.70 N ATOM 317 CA SER A 20 11.459 5.395 -5.672 1.00 0.74 C ATOM 318 C SER A 20 10.028 5.285 -6.076 1.00 0.71 C ATOM 319 O SER A 20 9.443 6.250 -6.564 1.00 0.80 O ATOM 320 CB SER A 20 12.276 5.555 -6.965 1.00 0.89 C ATOM 321 OG SER A 20 13.669 5.693 -6.726 1.00 1.45 O ATOM 0 H SER A 20 12.467 3.664 -5.284 1.00 0.70 H new ATOM 0 HA SER A 20 11.624 6.273 -5.047 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.107 4.689 -7.605 1.00 0.89 H new ATOM 0 HB3 SER A 20 11.918 6.429 -7.509 1.00 0.89 H new ATOM 0 HG SER A 20 14.139 5.789 -7.580 1.00 1.45 H new ATOM 327 N ASP A 21 9.365 4.117 -6.003 1.00 0.70 N ATOM 328 CA ASP A 21 7.972 4.038 -6.313 1.00 0.73 C ATOM 329 C ASP A 21 7.168 4.870 -5.374 1.00 0.64 C ATOM 330 O ASP A 21 7.424 4.986 -4.177 1.00 0.66 O ATOM 331 CB ASP A 21 7.512 2.570 -6.291 1.00 0.87 C ATOM 332 CG ASP A 21 7.934 1.758 -7.507 1.00 1.05 C ATOM 333 OD1 ASP A 21 7.564 2.223 -8.618 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.434 0.615 -7.334 1.00 1.50 O ATOM 0 H ASP A 21 9.791 3.231 -5.731 1.00 0.70 H new ATOM 0 HA ASP A 21 7.814 4.434 -7.316 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.908 2.092 -5.395 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.425 2.544 -6.212 1.00 0.87 H new ATOM 339 N THR A 22 6.138 5.502 -5.964 1.00 0.63 N ATOM 340 CA THR A 22 5.217 6.318 -5.234 1.00 0.58 C ATOM 341 C THR A 22 4.193 5.429 -4.619 1.00 0.53 C ATOM 342 O THR A 22 4.093 4.256 -4.978 1.00 0.58 O ATOM 343 CB THR A 22 4.568 7.462 -5.955 1.00 0.63 C ATOM 344 OG1 THR A 22 3.859 6.999 -7.095 1.00 0.70 O ATOM 345 CG2 THR A 22 5.552 8.511 -6.499 1.00 0.75 C ATOM 0 H THR A 22 5.941 5.446 -6.963 1.00 0.63 H new ATOM 0 HA THR A 22 5.827 6.836 -4.494 1.00 0.58 H new ATOM 0 HB THR A 22 3.927 7.916 -5.199 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.460 6.471 -7.662 1.00 0.70 H new ATOM 0 HG21 THR A 22 4.998 9.302 -7.005 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.122 8.938 -5.674 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.235 8.038 -7.204 1.00 0.75 H new ATOM 353 N ILE A 23 3.384 5.945 -3.676 1.00 0.51 N ATOM 354 CA ILE A 23 2.294 5.162 -3.181 1.00 0.48 C ATOM 355 C ILE A 23 1.296 4.944 -4.266 1.00 0.48 C ATOM 356 O ILE A 23 0.731 3.852 -4.273 1.00 0.51 O ATOM 357 CB ILE A 23 1.701 5.785 -1.953 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.826 5.962 -0.920 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.442 5.052 -1.459 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.311 4.641 -0.326 1.00 0.73 C ATOM 0 H ILE A 23 3.478 6.874 -3.267 1.00 0.51 H new ATOM 0 HA ILE A 23 2.658 4.181 -2.875 1.00 0.48 H new ATOM 0 HB ILE A 23 1.307 6.777 -2.175 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.667 6.471 -1.392 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.473 6.607 -0.115 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.058 5.549 -0.568 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.318 5.068 -2.240 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.693 4.019 -1.219 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.105 4.836 0.395 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.482 4.140 0.174 1.00 0.73 H new ATOM 0 HD13 ILE A 23 3.693 4.003 -1.122 1.00 0.73 H new ATOM 372 N GLU A 24 1.072 5.882 -5.203 1.00 0.50 N ATOM 373 CA GLU A 24 0.353 5.649 -6.417 1.00 0.53 C ATOM 374 C GLU A 24 0.832 4.527 -7.273 1.00 0.50 C ATOM 375 O GLU A 24 -0.016 3.751 -7.713 1.00 0.55 O ATOM 376 CB GLU A 24 0.316 6.900 -7.310 1.00 0.64 C ATOM 377 CG GLU A 24 -0.554 6.876 -8.569 1.00 0.95 C ATOM 378 CD GLU A 24 -0.260 8.061 -9.478 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.840 8.204 -10.076 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.210 8.839 -9.759 1.00 1.56 O ATOM 0 H GLU A 24 1.405 6.842 -5.111 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.632 5.374 -6.040 1.00 0.53 H new ATOM 0 HB2 GLU A 24 -0.015 7.736 -6.695 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.339 7.117 -7.618 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.381 5.948 -9.113 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.606 6.887 -8.285 1.00 0.95 H new ATOM 387 N ASN A 25 2.139 4.217 -7.337 1.00 0.51 N ATOM 388 CA ASN A 25 2.698 3.098 -8.030 1.00 0.52 C ATOM 389 C ASN A 25 2.404 1.842 -7.287 1.00 0.47 C ATOM 390 O ASN A 25 2.163 0.795 -7.886 1.00 0.53 O ATOM 391 CB ASN A 25 4.213 3.213 -8.272 1.00 0.64 C ATOM 392 CG ASN A 25 4.586 4.287 -9.284 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.046 5.336 -8.836 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.578 4.006 -10.615 1.00 1.57 N ATOM 0 H ASN A 25 2.850 4.784 -6.875 1.00 0.51 H new ATOM 0 HA ASN A 25 2.227 3.082 -9.013 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.709 3.429 -7.326 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.592 2.251 -8.618 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.963 4.677 -11.280 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.187 3.125 -10.948 1.00 1.57 H new ATOM 401 N VAL A 26 2.388 1.892 -5.942 1.00 0.45 N ATOM 402 CA VAL A 26 1.957 0.831 -5.087 1.00 0.44 C ATOM 403 C VAL A 26 0.526 0.511 -5.352 1.00 0.40 C ATOM 404 O VAL A 26 0.248 -0.656 -5.621 1.00 0.44 O ATOM 405 CB VAL A 26 2.094 1.110 -3.619 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.607 -0.028 -2.706 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.550 1.482 -3.295 1.00 0.62 C ATOM 0 H VAL A 26 2.692 2.717 -5.425 1.00 0.45 H new ATOM 0 HA VAL A 26 2.619 -0.002 -5.323 1.00 0.44 H new ATOM 0 HB VAL A 26 1.432 1.949 -3.405 1.00 0.50 H new ATOM 0 HG11 VAL A 26 1.743 0.259 -1.663 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.551 -0.219 -2.895 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.182 -0.931 -2.912 1.00 0.60 H new ATOM 0 HG21 VAL A 26 3.645 1.684 -2.228 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.206 0.655 -3.568 1.00 0.62 H new ATOM 0 HG23 VAL A 26 3.833 2.371 -3.859 1.00 0.62 H new ATOM 417 N LYS A 27 -0.377 1.509 -5.343 1.00 0.40 N ATOM 418 CA LYS A 27 -1.743 1.168 -5.592 1.00 0.41 C ATOM 419 C LYS A 27 -2.032 0.676 -6.969 1.00 0.38 C ATOM 420 O LYS A 27 -2.994 -0.047 -7.222 1.00 0.42 O ATOM 421 CB LYS A 27 -2.607 2.424 -5.392 1.00 0.51 C ATOM 422 CG LYS A 27 -2.512 3.076 -4.012 1.00 0.76 C ATOM 423 CD LYS A 27 -3.455 4.281 -3.996 1.00 0.82 C ATOM 424 CE LYS A 27 -3.607 4.948 -2.628 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.519 6.093 -2.842 1.00 1.11 N ATOM 0 H LYS A 27 -0.180 2.495 -5.174 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.966 0.357 -4.899 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.324 3.161 -6.143 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.648 2.161 -5.579 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.789 2.365 -3.234 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.488 3.390 -3.808 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.091 5.021 -4.709 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.438 3.962 -4.342 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -4.017 4.252 -1.896 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.642 5.282 -2.245 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.932 6.382 -1.933 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.988 6.889 -3.250 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.279 5.814 -3.494 1.00 1.11 H new ATOM 439 N ALA A 28 -1.229 1.058 -7.978 1.00 0.39 N ATOM 440 CA ALA A 28 -1.354 0.506 -9.291 1.00 0.39 C ATOM 441 C ALA A 28 -0.914 -0.913 -9.412 1.00 0.36 C ATOM 442 O ALA A 28 -1.398 -1.689 -10.235 1.00 0.42 O ATOM 443 CB ALA A 28 -0.412 1.323 -10.192 1.00 0.51 C ATOM 0 H ALA A 28 -0.489 1.753 -7.883 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.410 0.543 -9.558 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.466 0.944 -11.213 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.712 2.371 -10.177 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.611 1.234 -9.825 1.00 0.51 H new ATOM 449 N LYS A 29 0.134 -1.329 -8.678 1.00 0.39 N ATOM 450 CA LYS A 29 0.457 -2.721 -8.707 1.00 0.43 C ATOM 451 C LYS A 29 -0.613 -3.579 -8.126 1.00 0.44 C ATOM 452 O LYS A 29 -0.929 -4.634 -8.675 1.00 0.54 O ATOM 453 CB LYS A 29 1.806 -2.944 -8.002 1.00 0.54 C ATOM 454 CG LYS A 29 3.067 -2.432 -8.701 1.00 0.65 C ATOM 455 CD LYS A 29 4.158 -2.248 -7.645 1.00 1.08 C ATOM 456 CE LYS A 29 5.280 -1.419 -8.276 1.00 1.24 C ATOM 457 NZ LYS A 29 6.031 -2.233 -9.258 1.00 1.44 N ATOM 0 H LYS A 29 0.728 -0.740 -8.095 1.00 0.39 H new ATOM 0 HA LYS A 29 0.538 -3.025 -9.751 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.753 -2.474 -7.020 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.925 -4.015 -7.837 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.392 -3.139 -9.464 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.864 -1.488 -9.207 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.758 -1.744 -6.765 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.537 -3.215 -7.313 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.860 -0.541 -8.767 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.955 -1.059 -7.500 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.810 -1.669 -9.653 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.418 -3.075 -8.787 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.393 -2.528 -10.025 1.00 1.44 H new ATOM 471 N ILE A 30 -1.394 -3.078 -7.152 1.00 0.41 N ATOM 472 CA ILE A 30 -2.574 -3.720 -6.660 1.00 0.44 C ATOM 473 C ILE A 30 -3.655 -3.712 -7.685 1.00 0.45 C ATOM 474 O ILE A 30 -4.371 -4.702 -7.823 1.00 0.56 O ATOM 475 CB ILE A 30 -3.031 -3.076 -5.385 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.803 -2.963 -4.466 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.190 -3.897 -4.795 1.00 0.56 C ATOM 478 CD1 ILE A 30 -2.035 -2.707 -2.979 1.00 1.32 C ATOM 0 H ILE A 30 -1.196 -2.191 -6.689 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.332 -4.761 -6.446 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.426 -2.071 -5.533 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.231 -3.886 -4.559 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -1.174 -2.159 -4.848 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.528 -3.435 -3.867 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.015 -3.926 -5.507 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.850 -4.912 -4.592 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.075 -2.653 -2.465 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.569 -1.765 -2.851 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.627 -3.520 -2.558 1.00 1.32 H new ATOM 490 N GLN A 31 -3.811 -2.652 -8.498 1.00 0.41 N ATOM 491 CA GLN A 31 -4.812 -2.588 -9.518 1.00 0.48 C ATOM 492 C GLN A 31 -4.499 -3.581 -10.585 1.00 0.52 C ATOM 493 O GLN A 31 -5.381 -4.261 -11.107 1.00 0.66 O ATOM 494 CB GLN A 31 -4.913 -1.179 -10.125 1.00 0.52 C ATOM 495 CG GLN A 31 -6.092 -1.076 -11.096 1.00 0.70 C ATOM 496 CD GLN A 31 -5.754 0.052 -12.060 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.687 1.218 -11.679 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.641 -0.304 -13.368 1.00 1.43 N ATOM 0 H GLN A 31 -3.226 -1.818 -8.445 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.775 -2.823 -9.064 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.030 -0.445 -9.328 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.987 -0.938 -10.647 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.238 -2.014 -11.631 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.019 -0.866 -10.562 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -5.703 -1.286 -13.636 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.494 0.411 -14.080 1.00 1.43 H new ATOM 507 N ASP A 32 -3.222 -3.728 -10.982 1.00 0.50 N ATOM 508 CA ASP A 32 -2.781 -4.722 -11.911 1.00 0.60 C ATOM 509 C ASP A 32 -3.073 -6.102 -11.430 1.00 0.65 C ATOM 510 O ASP A 32 -3.689 -6.907 -12.127 1.00 0.81 O ATOM 511 CB ASP A 32 -1.304 -4.385 -12.178 1.00 0.67 C ATOM 512 CG ASP A 32 -0.668 -5.391 -13.125 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.195 -5.424 -14.270 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.384 -6.020 -12.833 1.00 1.51 O ATOM 0 H ASP A 32 -2.468 -3.131 -10.643 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.321 -4.708 -12.858 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.229 -3.384 -12.604 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.756 -4.373 -11.236 1.00 0.67 H new ATOM 519 N LYS A 33 -2.645 -6.444 -10.201 1.00 0.62 N ATOM 520 CA LYS A 33 -2.736 -7.773 -9.684 1.00 0.73 C ATOM 521 C LYS A 33 -4.144 -8.171 -9.401 1.00 0.69 C ATOM 522 O LYS A 33 -4.660 -9.203 -9.829 1.00 0.83 O ATOM 523 CB LYS A 33 -1.871 -8.072 -8.449 1.00 0.85 C ATOM 524 CG LYS A 33 -0.363 -8.049 -8.710 1.00 1.31 C ATOM 525 CD LYS A 33 0.335 -8.778 -7.562 1.00 1.71 C ATOM 526 CE LYS A 33 1.864 -8.734 -7.608 1.00 2.26 C ATOM 527 NZ LYS A 33 2.450 -9.534 -8.706 1.00 2.62 N ATOM 0 H LYS A 33 -2.225 -5.779 -9.551 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.327 -8.375 -10.495 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.104 -7.343 -7.673 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.144 -9.052 -8.058 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.135 -8.532 -9.660 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.006 -7.022 -8.780 1.00 1.31 H new ATOM 0 HD2 LYS A 33 0.001 -8.345 -6.619 1.00 1.71 H new ATOM 0 HD3 LYS A 33 0.015 -9.820 -7.565 1.00 1.71 H new ATOM 0 HE2 LYS A 33 2.186 -7.698 -7.714 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.258 -9.095 -6.658 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.487 -9.458 -8.676 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 2.173 -10.530 -8.596 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 2.103 -9.177 -9.619 1.00 2.62 H new ATOM 541 N GLU A 34 -4.826 -7.425 -8.513 1.00 0.63 N ATOM 542 CA GLU A 34 -5.995 -7.892 -7.837 1.00 0.67 C ATOM 543 C GLU A 34 -7.217 -7.294 -8.444 1.00 0.69 C ATOM 544 O GLU A 34 -8.254 -7.953 -8.370 1.00 0.95 O ATOM 545 CB GLU A 34 -5.989 -7.469 -6.357 1.00 0.73 C ATOM 546 CG GLU A 34 -4.926 -8.165 -5.505 1.00 0.83 C ATOM 547 CD GLU A 34 -5.138 -9.672 -5.464 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.136 -9.983 -4.762 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.398 -10.514 -6.041 1.00 1.48 O ATOM 0 H GLU A 34 -4.558 -6.474 -8.259 1.00 0.63 H new ATOM 0 HA GLU A 34 -5.997 -8.978 -7.925 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.834 -6.392 -6.300 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.971 -7.673 -5.929 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.937 -7.947 -5.907 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.953 -7.766 -4.491 1.00 0.83 H new ATOM 556 N GLY A 35 -7.206 -6.089 -9.040 1.00 0.63 N ATOM 557 CA GLY A 35 -8.344 -5.449 -9.622 1.00 0.68 C ATOM 558 C GLY A 35 -9.120 -4.563 -8.710 1.00 0.76 C ATOM 559 O GLY A 35 -10.350 -4.543 -8.667 1.00 1.12 O ATOM 0 H GLY A 35 -6.356 -5.531 -9.120 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.010 -4.859 -10.475 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.013 -6.218 -10.009 1.00 0.68 H new ATOM 563 N ILE A 36 -8.392 -3.797 -7.878 1.00 0.70 N ATOM 564 CA ILE A 36 -8.901 -2.945 -6.849 1.00 0.76 C ATOM 565 C ILE A 36 -8.529 -1.570 -7.287 1.00 0.71 C ATOM 566 O ILE A 36 -7.338 -1.286 -7.413 1.00 0.73 O ATOM 567 CB ILE A 36 -8.243 -3.156 -5.518 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.339 -4.578 -4.937 1.00 0.91 C ATOM 569 CG2 ILE A 36 -8.918 -2.206 -4.513 1.00 1.55 C ATOM 570 CD1 ILE A 36 -9.662 -5.340 -4.997 1.00 1.16 C ATOM 0 H ILE A 36 -7.374 -3.772 -7.929 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.967 -3.135 -6.720 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.181 -2.969 -5.680 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -7.591 -5.187 -5.445 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.045 -4.520 -3.889 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.463 -2.333 -3.531 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.788 -1.175 -4.843 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -9.982 -2.436 -4.453 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -9.537 -6.322 -4.540 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -10.428 -4.783 -4.457 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.966 -5.460 -6.037 1.00 1.16 H new ATOM 582 N PRO A 37 -9.387 -0.629 -7.547 1.00 0.75 N ATOM 583 CA PRO A 37 -8.975 0.648 -8.054 1.00 0.79 C ATOM 584 C PRO A 37 -8.334 1.528 -7.037 1.00 0.75 C ATOM 585 O PRO A 37 -8.740 1.421 -5.882 1.00 0.75 O ATOM 586 CB PRO A 37 -10.315 1.258 -8.461 1.00 0.95 C ATOM 587 CG PRO A 37 -11.250 0.118 -8.893 1.00 1.02 C ATOM 588 CD PRO A 37 -10.774 -0.926 -7.870 1.00 0.85 C ATOM 0 HA PRO A 37 -8.226 0.546 -8.839 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.749 1.811 -7.628 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.178 1.967 -9.277 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.306 0.368 -8.790 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.096 -0.194 -9.926 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.392 -0.891 -6.972 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.864 -1.932 -8.280 1.00 0.85 H new ATOM 596 N PRO A 38 -7.358 2.335 -7.337 1.00 0.81 N ATOM 597 CA PRO A 38 -6.629 3.153 -6.413 1.00 0.85 C ATOM 598 C PRO A 38 -7.430 4.257 -5.811 1.00 0.89 C ATOM 599 O PRO A 38 -7.018 4.721 -4.749 1.00 0.99 O ATOM 600 CB PRO A 38 -5.469 3.712 -7.234 1.00 1.01 C ATOM 601 CG PRO A 38 -5.972 3.618 -8.684 1.00 1.25 C ATOM 602 CD PRO A 38 -6.873 2.373 -8.707 1.00 0.98 C ATOM 0 HA PRO A 38 -6.313 2.562 -5.554 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.240 4.741 -6.955 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.558 3.132 -7.087 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -6.526 4.512 -8.969 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -5.143 3.519 -9.385 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.686 2.469 -9.427 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.319 1.472 -8.970 1.00 0.98 H new ATOM 610 N ASP A 39 -8.549 4.688 -6.420 1.00 0.96 N ATOM 611 CA ASP A 39 -9.452 5.648 -5.864 1.00 1.11 C ATOM 612 C ASP A 39 -9.803 5.310 -4.457 1.00 1.00 C ATOM 613 O ASP A 39 -9.848 6.140 -3.551 1.00 1.14 O ATOM 614 CB ASP A 39 -10.743 5.791 -6.689 1.00 1.39 C ATOM 615 CG ASP A 39 -11.479 7.045 -6.242 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.880 8.147 -6.363 1.00 2.25 O ATOM 617 OD2 ASP A 39 -12.678 6.897 -5.882 1.00 2.23 O ATOM 0 H ASP A 39 -8.837 4.353 -7.339 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.926 6.603 -5.888 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.506 5.852 -7.751 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -11.376 4.914 -6.553 1.00 1.39 H new ATOM 622 N GLN A 40 -10.264 4.060 -4.269 1.00 0.87 N ATOM 623 CA GLN A 40 -10.659 3.596 -2.975 1.00 0.84 C ATOM 624 C GLN A 40 -9.612 3.192 -1.995 1.00 0.67 C ATOM 625 O GLN A 40 -9.801 3.110 -0.783 1.00 0.80 O ATOM 626 CB GLN A 40 -11.623 2.411 -3.148 1.00 0.95 C ATOM 627 CG GLN A 40 -11.277 1.261 -4.096 1.00 1.32 C ATOM 628 CD GLN A 40 -12.271 0.116 -4.215 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.315 -0.832 -3.433 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.101 0.149 -5.292 1.00 2.02 N ATOM 0 H GLN A 40 -10.363 3.370 -5.014 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.097 4.489 -2.528 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.781 1.978 -2.160 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -12.580 2.819 -3.473 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.129 1.680 -5.091 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -10.321 0.843 -3.781 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.064 0.936 -5.940 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -13.760 -0.613 -5.451 1.00 2.02 H new ATOM 639 N GLN A 41 -8.436 2.799 -2.517 1.00 0.56 N ATOM 640 CA GLN A 41 -7.333 2.297 -1.757 1.00 0.51 C ATOM 641 C GLN A 41 -6.728 3.325 -0.863 1.00 0.49 C ATOM 642 O GLN A 41 -6.597 4.508 -1.171 1.00 0.65 O ATOM 643 CB GLN A 41 -6.188 1.776 -2.641 1.00 0.67 C ATOM 644 CG GLN A 41 -6.532 0.582 -3.535 1.00 0.69 C ATOM 645 CD GLN A 41 -5.273 0.297 -4.341 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.212 0.205 -3.726 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.416 0.015 -5.664 1.00 0.61 N ATOM 0 H GLN A 41 -8.245 2.833 -3.518 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.771 1.488 -1.173 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.841 2.593 -3.274 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.354 1.496 -1.997 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.820 -0.284 -2.939 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.373 0.812 -4.190 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.328 0.113 -6.111 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.612 -0.295 -6.209 1.00 0.61 H new ATOM 656 N ARG A 42 -6.320 2.926 0.355 1.00 0.47 N ATOM 657 CA ARG A 42 -5.570 3.691 1.303 1.00 0.55 C ATOM 658 C ARG A 42 -4.478 2.862 1.886 1.00 0.46 C ATOM 659 O ARG A 42 -4.808 1.754 2.305 1.00 0.52 O ATOM 660 CB ARG A 42 -6.349 4.160 2.544 1.00 0.73 C ATOM 661 CG ARG A 42 -7.486 5.081 2.098 1.00 1.04 C ATOM 662 CD ARG A 42 -7.074 6.414 1.471 1.00 1.28 C ATOM 663 NE ARG A 42 -8.301 7.146 1.045 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.039 6.956 -0.087 1.00 2.19 C ATOM 665 NH1 ARG A 42 -8.712 6.055 -1.058 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.085 7.815 -0.264 1.00 2.78 N ATOM 0 H ARG A 42 -6.533 1.991 0.704 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.244 4.551 0.718 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -6.749 3.302 3.084 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.685 4.686 3.229 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -8.101 4.541 1.379 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.116 5.290 2.963 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -6.509 7.010 2.188 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -6.421 6.242 0.615 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.628 7.877 1.676 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -7.876 5.479 -0.959 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -9.303 5.957 -1.883 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.272 8.541 0.428 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.680 7.731 -1.088 1.00 2.78 H new ATOM 680 N LEU A 43 -3.198 3.272 1.828 1.00 0.46 N ATOM 681 CA LEU A 43 -2.159 2.530 2.473 1.00 0.42 C ATOM 682 C LEU A 43 -1.895 3.018 3.855 1.00 0.43 C ATOM 683 O LEU A 43 -1.748 4.228 4.019 1.00 0.55 O ATOM 684 CB LEU A 43 -0.804 2.340 1.769 1.00 0.55 C ATOM 685 CG LEU A 43 -0.902 1.665 0.390 1.00 0.65 C ATOM 686 CD1 LEU A 43 -1.138 0.147 0.450 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.544 2.330 -0.839 1.00 1.12 C ATOM 0 H LEU A 43 -2.884 4.110 1.339 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.613 1.539 2.446 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.328 3.313 1.652 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.155 1.742 2.409 1.00 0.55 H new ATOM 0 HG LEU A 43 0.126 1.900 0.114 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -1.195 -0.253 -0.562 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.314 -0.329 0.982 1.00 1.17 H new ATOM 0 HD13 LEU A 43 -2.073 -0.056 0.973 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.490 1.651 -1.690 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -2.588 2.560 -0.625 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -1.010 3.251 -1.075 1.00 1.12 H new ATOM 699 N ILE A 44 -1.978 2.140 4.870 1.00 0.42 N ATOM 700 CA ILE A 44 -1.653 2.456 6.227 1.00 0.46 C ATOM 701 C ILE A 44 -0.364 1.795 6.576 1.00 0.42 C ATOM 702 O ILE A 44 -0.143 0.611 6.323 1.00 0.53 O ATOM 703 CB ILE A 44 -2.773 2.099 7.159 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.190 2.567 6.789 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.431 2.678 8.543 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.399 4.070 6.612 1.00 1.27 C ATOM 0 H ILE A 44 -2.282 1.175 4.742 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.523 3.533 6.338 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.829 1.011 7.115 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.479 2.073 5.861 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.875 2.218 7.562 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.228 2.435 9.246 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.493 2.249 8.895 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.329 3.761 8.469 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.440 4.265 6.353 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.154 4.583 7.542 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.752 4.436 5.815 1.00 1.27 H new ATOM 718 N PHE A 45 0.590 2.568 7.125 1.00 0.42 N ATOM 719 CA PHE A 45 1.785 2.039 7.705 1.00 0.46 C ATOM 720 C PHE A 45 2.171 2.762 8.950 1.00 0.68 C ATOM 721 O PHE A 45 2.435 3.963 8.927 1.00 1.50 O ATOM 722 CB PHE A 45 2.895 2.213 6.655 1.00 0.56 C ATOM 723 CG PHE A 45 4.229 1.649 7.006 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.559 0.325 6.835 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.148 2.441 7.651 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.639 -0.258 7.455 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.348 1.961 8.123 1.00 1.33 C ATOM 728 CZ PHE A 45 6.551 0.606 8.016 1.00 1.02 C ATOM 0 H PHE A 45 0.529 3.585 7.167 1.00 0.42 H new ATOM 0 HA PHE A 45 1.629 0.995 7.978 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.562 1.752 5.725 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.015 3.278 6.457 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.944 -0.282 6.187 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.918 3.487 7.794 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.764 -1.330 7.499 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.091 2.615 8.555 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.477 0.197 8.393 1.00 1.02 H new ATOM 738 N ALA A 46 2.385 1.910 9.969 1.00 0.81 N ATOM 739 CA ALA A 46 2.671 2.239 11.330 1.00 0.96 C ATOM 740 C ALA A 46 1.629 3.114 11.938 1.00 0.97 C ATOM 741 O ALA A 46 1.922 3.832 12.893 1.00 1.21 O ATOM 742 CB ALA A 46 4.070 2.867 11.440 1.00 1.20 C ATOM 0 H ALA A 46 2.354 0.901 9.824 1.00 0.81 H new ATOM 0 HA ALA A 46 2.658 1.312 11.903 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.277 3.114 12.481 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.816 2.159 11.079 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.110 3.774 10.837 1.00 1.20 H new ATOM 748 N GLY A 47 0.431 3.201 11.331 1.00 0.99 N ATOM 749 CA GLY A 47 -0.563 4.154 11.716 1.00 1.10 C ATOM 750 C GLY A 47 -0.670 5.355 10.841 1.00 1.03 C ATOM 751 O GLY A 47 -1.591 6.092 11.190 1.00 1.30 O ATOM 0 H GLY A 47 0.148 2.598 10.559 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.532 3.654 11.738 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.351 4.484 12.733 1.00 1.10 H new ATOM 755 N LYS A 48 0.175 5.668 9.843 1.00 0.98 N ATOM 756 CA LYS A 48 0.082 6.782 8.951 1.00 1.05 C ATOM 757 C LYS A 48 -0.444 6.386 7.614 1.00 0.84 C ATOM 758 O LYS A 48 0.010 5.396 7.043 1.00 0.81 O ATOM 759 CB LYS A 48 1.436 7.445 8.649 1.00 1.42 C ATOM 760 CG LYS A 48 1.216 8.876 8.154 1.00 1.61 C ATOM 761 CD LYS A 48 2.453 9.771 8.047 1.00 1.87 C ATOM 762 CE LYS A 48 2.582 10.610 9.320 1.00 2.22 C ATOM 763 NZ LYS A 48 3.999 10.999 9.497 1.00 2.55 N ATOM 0 H LYS A 48 0.993 5.091 9.645 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.581 7.469 9.477 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.055 7.452 9.546 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.973 6.869 7.896 1.00 1.42 H new ATOM 0 HG2 LYS A 48 0.747 8.826 7.171 1.00 1.61 H new ATOM 0 HG3 LYS A 48 0.504 9.360 8.822 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.346 9.162 7.907 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.371 10.421 7.176 1.00 1.87 H new ATOM 0 HE2 LYS A 48 1.953 11.498 9.252 1.00 2.22 H new ATOM 0 HE3 LYS A 48 2.237 10.041 10.183 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.097 11.570 10.361 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 4.586 10.144 9.579 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.311 11.556 8.676 1.00 2.55 H new ATOM 777 N GLN A 49 -1.439 7.157 7.140 1.00 0.84 N ATOM 778 CA GLN A 49 -2.011 6.956 5.846 1.00 0.80 C ATOM 779 C GLN A 49 -1.059 7.571 4.878 1.00 0.72 C ATOM 780 O GLN A 49 -0.608 8.713 4.942 1.00 0.83 O ATOM 781 CB GLN A 49 -3.322 7.760 5.879 1.00 1.03 C ATOM 782 CG GLN A 49 -4.176 7.400 4.661 1.00 1.67 C ATOM 783 CD GLN A 49 -5.379 8.333 4.642 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.320 8.132 5.407 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.455 9.194 3.593 1.00 2.48 N ATOM 0 H GLN A 49 -1.852 7.930 7.662 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.192 5.915 5.578 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.870 7.544 6.796 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.105 8.828 5.881 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.597 7.506 3.744 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.500 6.361 4.716 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.648 9.329 2.984 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.319 9.705 3.414 1.00 2.48 H new ATOM 794 N LEU A 50 -0.663 6.718 3.916 1.00 0.69 N ATOM 795 CA LEU A 50 0.378 7.017 2.982 1.00 0.66 C ATOM 796 C LEU A 50 -0.196 7.784 1.842 1.00 0.72 C ATOM 797 O LEU A 50 -1.212 7.352 1.301 1.00 0.90 O ATOM 798 CB LEU A 50 1.301 5.852 2.583 1.00 0.65 C ATOM 799 CG LEU A 50 1.704 4.927 3.745 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.561 3.821 3.107 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.470 5.684 4.841 1.00 0.74 C ATOM 0 H LEU A 50 -1.078 5.796 3.784 1.00 0.69 H new ATOM 0 HA LEU A 50 1.097 7.649 3.503 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.803 5.257 1.818 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.205 6.260 2.131 1.00 0.65 H new ATOM 0 HG LEU A 50 0.829 4.514 4.248 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.885 3.122 3.878 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.972 3.289 2.360 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.434 4.267 2.631 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.735 4.994 5.642 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.377 6.116 4.419 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.841 6.480 5.241 1.00 0.74 H new ATOM 813 N GLU A 51 0.381 8.929 1.433 1.00 0.70 N ATOM 814 CA GLU A 51 -0.114 9.786 0.401 1.00 0.76 C ATOM 815 C GLU A 51 0.338 9.490 -0.987 1.00 0.77 C ATOM 816 O GLU A 51 1.529 9.269 -1.201 1.00 1.23 O ATOM 817 CB GLU A 51 0.187 11.215 0.885 1.00 0.88 C ATOM 818 CG GLU A 51 -0.624 12.307 0.186 1.00 1.35 C ATOM 819 CD GLU A 51 -0.562 13.703 0.788 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.443 14.417 0.530 1.00 1.89 O ATOM 821 OE2 GLU A 51 -1.511 13.969 1.574 1.00 1.94 O ATOM 0 H GLU A 51 1.245 9.276 1.849 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.183 9.621 0.269 1.00 0.76 H new ATOM 0 HB2 GLU A 51 -0.003 11.269 1.957 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.248 11.418 0.739 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.288 12.369 -0.849 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -1.668 11.993 0.164 1.00 1.35 H new ATOM 828 N ASP A 52 -0.464 9.647 -2.055 1.00 0.66 N ATOM 829 CA ASP A 52 -0.188 9.198 -3.385 1.00 0.65 C ATOM 830 C ASP A 52 0.936 9.732 -4.204 1.00 0.60 C ATOM 831 O ASP A 52 1.757 9.025 -4.786 1.00 0.62 O ATOM 832 CB ASP A 52 -1.387 9.543 -4.284 1.00 0.81 C ATOM 833 CG ASP A 52 -2.685 8.994 -3.710 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.207 9.557 -2.711 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.175 7.939 -4.194 1.00 1.56 O ATOM 0 H ASP A 52 -1.365 10.119 -1.984 1.00 0.66 H new ATOM 0 HA ASP A 52 0.064 8.164 -3.149 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.464 10.625 -4.392 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.226 9.134 -5.281 1.00 0.81 H new ATOM 840 N GLY A 53 1.250 11.037 -4.117 1.00 0.68 N ATOM 841 CA GLY A 53 2.414 11.665 -4.661 1.00 0.73 C ATOM 842 C GLY A 53 3.665 11.639 -3.851 1.00 0.72 C ATOM 843 O GLY A 53 4.614 12.363 -4.148 1.00 0.97 O ATOM 0 H GLY A 53 0.646 11.700 -3.631 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.628 11.197 -5.622 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.168 12.708 -4.862 1.00 0.73 H new ATOM 847 N ARG A 54 3.645 10.839 -2.769 1.00 0.64 N ATOM 848 CA ARG A 54 4.833 10.606 -2.008 1.00 0.63 C ATOM 849 C ARG A 54 5.336 9.223 -2.243 1.00 0.59 C ATOM 850 O ARG A 54 4.636 8.292 -2.637 1.00 0.62 O ATOM 851 CB ARG A 54 4.705 11.043 -0.539 1.00 0.69 C ATOM 852 CG ARG A 54 3.844 12.296 -0.363 1.00 0.82 C ATOM 853 CD ARG A 54 4.187 12.902 0.999 1.00 1.18 C ATOM 854 NE ARG A 54 3.057 13.832 1.283 1.00 1.50 N ATOM 855 CZ ARG A 54 3.172 14.745 2.291 1.00 2.00 C ATOM 856 NH1 ARG A 54 4.304 14.900 3.040 1.00 2.48 N ATOM 857 NH2 ARG A 54 2.067 15.537 2.408 1.00 2.49 N ATOM 0 H ARG A 54 2.815 10.358 -2.424 1.00 0.64 H new ATOM 0 HA ARG A 54 5.622 11.264 -2.371 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.273 10.227 0.041 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.699 11.231 -0.133 1.00 0.69 H new ATOM 0 HG2 ARG A 54 4.041 13.012 -1.161 1.00 0.82 H new ATOM 0 HG3 ARG A 54 2.785 12.044 -0.415 1.00 0.82 H new ATOM 0 HD2 ARG A 54 4.272 12.133 1.767 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.140 13.431 0.971 1.00 1.18 H new ATOM 0 HE ARG A 54 2.203 13.786 0.727 1.00 1.50 H new ATOM 0 HH11 ARG A 54 5.120 14.316 2.858 1.00 2.48 H new ATOM 0 HH12 ARG A 54 4.333 15.600 3.782 1.00 2.48 H new ATOM 0 HH21 ARG A 54 1.277 15.406 1.777 1.00 2.49 H new ATOM 0 HH22 ARG A 54 2.031 16.260 3.127 1.00 2.49 H new ATOM 871 N THR A 55 6.663 9.061 -2.096 1.00 0.63 N ATOM 872 CA THR A 55 7.323 7.802 -2.249 1.00 0.61 C ATOM 873 C THR A 55 7.540 6.952 -1.045 1.00 0.59 C ATOM 874 O THR A 55 7.457 7.311 0.129 1.00 0.64 O ATOM 875 CB THR A 55 8.629 7.943 -2.973 1.00 0.68 C ATOM 876 OG1 THR A 55 9.751 8.412 -2.239 1.00 0.75 O ATOM 877 CG2 THR A 55 8.479 8.746 -4.276 1.00 0.76 C ATOM 0 H THR A 55 7.295 9.827 -1.864 1.00 0.63 H new ATOM 0 HA THR A 55 6.578 7.259 -2.830 1.00 0.61 H new ATOM 0 HB THR A 55 8.874 6.902 -3.182 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.465 9.111 -1.615 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.448 8.824 -4.769 1.00 0.76 H new ATOM 0 HG22 THR A 55 7.776 8.239 -4.937 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.107 9.745 -4.047 1.00 0.76 H new ATOM 885 N LEU A 56 7.917 5.677 -1.249 1.00 0.58 N ATOM 886 CA LEU A 56 8.350 4.777 -0.225 1.00 0.59 C ATOM 887 C LEU A 56 9.590 5.109 0.532 1.00 0.64 C ATOM 888 O LEU A 56 9.690 4.728 1.697 1.00 0.70 O ATOM 889 CB LEU A 56 8.452 3.372 -0.843 1.00 0.60 C ATOM 890 CG LEU A 56 7.034 2.793 -0.992 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.206 1.585 -1.926 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.336 2.294 0.285 1.00 1.03 C ATOM 0 H LEU A 56 7.920 5.252 -2.176 1.00 0.58 H new ATOM 0 HA LEU A 56 7.590 4.855 0.553 1.00 0.59 H new ATOM 0 HB2 LEU A 56 8.944 3.422 -1.815 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.060 2.725 -0.211 1.00 0.60 H new ATOM 0 HG LEU A 56 6.395 3.603 -1.344 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.239 1.109 -2.088 1.00 1.05 H new ATOM 0 HD12 LEU A 56 7.611 1.919 -2.882 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.891 0.869 -1.472 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.346 1.913 0.033 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.928 1.497 0.735 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.239 3.118 0.992 1.00 1.03 H new ATOM 904 N SER A 57 10.526 5.924 0.013 1.00 0.68 N ATOM 905 CA SER A 57 11.648 6.419 0.749 1.00 0.75 C ATOM 906 C SER A 57 11.333 7.574 1.636 1.00 0.76 C ATOM 907 O SER A 57 11.889 7.790 2.713 1.00 0.84 O ATOM 908 CB SER A 57 12.811 6.853 -0.159 1.00 0.84 C ATOM 909 OG SER A 57 13.988 7.415 0.403 1.00 1.19 O ATOM 0 H SER A 57 10.501 6.250 -0.953 1.00 0.68 H new ATOM 0 HA SER A 57 11.936 5.564 1.361 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.114 5.979 -0.735 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.413 7.579 -0.868 1.00 0.84 H new ATOM 0 HG SER A 57 14.621 7.631 -0.313 1.00 1.19 H new ATOM 915 N ASP A 58 10.368 8.410 1.217 1.00 0.75 N ATOM 916 CA ASP A 58 9.820 9.473 2.001 1.00 0.78 C ATOM 917 C ASP A 58 9.187 8.991 3.261 1.00 0.77 C ATOM 918 O ASP A 58 9.245 9.724 4.247 1.00 0.86 O ATOM 919 CB ASP A 58 8.780 10.381 1.325 1.00 0.83 C ATOM 920 CG ASP A 58 9.379 11.024 0.082 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.164 11.997 0.237 1.00 1.90 O ATOM 922 OD2 ASP A 58 8.928 10.657 -1.037 1.00 1.86 O ATOM 0 H ASP A 58 9.950 8.342 0.289 1.00 0.75 H new ATOM 0 HA ASP A 58 10.716 10.067 2.179 1.00 0.78 H new ATOM 0 HB2 ASP A 58 7.899 9.800 1.055 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.452 11.153 2.021 1.00 0.83 H new ATOM 927 N TYR A 59 8.515 7.831 3.361 1.00 0.72 N ATOM 928 CA TYR A 59 8.088 7.279 4.609 1.00 0.73 C ATOM 929 C TYR A 59 9.080 6.295 5.131 1.00 0.76 C ATOM 930 O TYR A 59 8.770 5.464 5.983 1.00 0.89 O ATOM 931 CB TYR A 59 6.749 6.559 4.376 1.00 0.73 C ATOM 932 CG TYR A 59 5.716 7.533 3.923 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.221 8.459 4.810 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.164 7.496 2.664 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.209 9.330 4.479 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.233 8.436 2.291 1.00 0.70 C ATOM 937 CZ TYR A 59 3.671 9.287 3.215 1.00 0.74 C ATOM 938 OH TYR A 59 2.639 10.141 2.771 1.00 0.86 O ATOM 0 H TYR A 59 8.262 7.262 2.553 1.00 0.72 H new ATOM 0 HA TYR A 59 7.987 8.082 5.339 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.874 5.775 3.629 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.423 6.073 5.296 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.642 8.504 5.803 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.463 6.727 1.967 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.841 10.040 5.205 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.937 8.508 1.255 1.00 0.70 H new ATOM 0 HH TYR A 59 2.699 10.999 3.241 1.00 0.86 H new ATOM 948 N ASN A 60 10.331 6.335 4.641 1.00 0.74 N ATOM 949 CA ASN A 60 11.447 5.485 4.922 1.00 0.79 C ATOM 950 C ASN A 60 11.217 4.015 4.988 1.00 0.75 C ATOM 951 O ASN A 60 11.644 3.274 5.873 1.00 0.86 O ATOM 952 CB ASN A 60 12.527 5.945 5.916 1.00 0.95 C ATOM 953 CG ASN A 60 11.900 6.319 7.251 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.513 7.463 7.490 1.00 1.84 O ATOM 955 ND2 ASN A 60 11.756 5.350 8.194 1.00 1.83 N ATOM 0 H ASN A 60 10.588 7.054 3.964 1.00 0.74 H new ATOM 0 HA ASN A 60 11.904 5.670 3.950 1.00 0.79 H new ATOM 0 HB2 ASN A 60 13.258 5.150 6.061 1.00 0.95 H new ATOM 0 HB3 ASN A 60 13.064 6.801 5.508 1.00 0.95 H new ATOM 0 HD21 ASN A 60 11.329 5.573 9.093 1.00 1.83 H new ATOM 0 HD22 ASN A 60 12.075 4.400 8.002 1.00 1.83 H new ATOM 962 N ILE A 61 10.514 3.473 3.977 1.00 0.67 N ATOM 963 CA ILE A 61 10.163 2.091 3.877 1.00 0.65 C ATOM 964 C ILE A 61 11.141 1.221 3.165 1.00 0.66 C ATOM 965 O ILE A 61 11.317 1.450 1.969 1.00 0.75 O ATOM 966 CB ILE A 61 8.786 1.986 3.290 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.806 2.457 4.378 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.425 0.537 2.922 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.428 2.912 3.901 1.00 0.82 C ATOM 0 H ILE A 61 10.174 4.027 3.191 1.00 0.67 H new ATOM 0 HA ILE A 61 10.183 1.693 4.892 1.00 0.65 H new ATOM 0 HB ILE A 61 8.738 2.585 2.381 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.669 1.643 5.090 1.00 0.70 H new ATOM 0 HG13 ILE A 61 8.269 3.281 4.921 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.420 0.508 2.501 1.00 0.72 H new ATOM 0 HG22 ILE A 61 9.137 0.160 2.188 1.00 0.72 H new ATOM 0 HG23 ILE A 61 8.462 -0.085 3.816 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.829 3.220 4.758 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.539 3.752 3.216 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.931 2.089 3.388 1.00 0.82 H new ATOM 981 N GLN A 62 11.805 0.219 3.768 1.00 0.67 N ATOM 982 CA GLN A 62 12.698 -0.772 3.254 1.00 0.70 C ATOM 983 C GLN A 62 11.930 -2.039 3.095 1.00 0.62 C ATOM 984 O GLN A 62 10.722 -2.097 3.319 1.00 0.64 O ATOM 985 CB GLN A 62 13.973 -0.990 4.086 1.00 0.85 C ATOM 986 CG GLN A 62 14.519 0.262 4.776 1.00 1.27 C ATOM 987 CD GLN A 62 15.965 0.013 5.180 1.00 1.57 C ATOM 988 OE1 GLN A 62 16.220 -1.020 5.798 1.00 2.08 O ATOM 989 NE2 GLN A 62 16.912 0.962 4.956 1.00 2.16 N ATOM 0 H GLN A 62 11.693 0.091 4.774 1.00 0.67 H new ATOM 0 HA GLN A 62 13.073 -0.411 2.296 1.00 0.70 H new ATOM 0 HB2 GLN A 62 13.768 -1.745 4.845 1.00 0.85 H new ATOM 0 HB3 GLN A 62 14.748 -1.395 3.435 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.458 1.119 4.105 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.918 0.501 5.654 1.00 1.27 H new ATOM 0 HE21 GLN A 62 16.673 1.809 4.441 1.00 2.16 H new ATOM 0 HE22 GLN A 62 17.861 0.827 5.303 1.00 2.16 H new ATOM 998 N LYS A 63 12.560 -3.157 2.690 1.00 0.64 N ATOM 999 CA LYS A 63 11.971 -4.451 2.542 1.00 0.62 C ATOM 1000 C LYS A 63 11.361 -5.006 3.783 1.00 0.59 C ATOM 1001 O LYS A 63 11.748 -4.638 4.892 1.00 0.66 O ATOM 1002 CB LYS A 63 13.122 -5.365 2.090 1.00 0.74 C ATOM 1003 CG LYS A 63 14.253 -5.490 3.114 1.00 0.89 C ATOM 1004 CD LYS A 63 15.332 -6.459 2.630 1.00 1.11 C ATOM 1005 CE LYS A 63 16.401 -6.440 3.724 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.871 -6.770 5.066 1.00 2.12 N ATOM 0 H LYS A 63 13.551 -3.154 2.449 1.00 0.64 H new ATOM 0 HA LYS A 63 11.144 -4.383 1.835 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.724 -6.358 1.880 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.532 -4.982 1.155 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.695 -4.510 3.293 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.849 -5.837 4.065 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.928 -7.462 2.490 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.743 -6.145 1.671 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.187 -7.150 3.467 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.861 -5.452 3.755 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.656 -7.039 5.693 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.382 -5.941 5.460 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.202 -7.563 4.990 1.00 2.12 H new ATOM 1020 N GLU A 64 10.443 -5.971 3.597 1.00 0.57 N ATOM 1021 CA GLU A 64 9.883 -6.815 4.606 1.00 0.58 C ATOM 1022 C GLU A 64 8.951 -6.046 5.477 1.00 0.56 C ATOM 1023 O GLU A 64 8.825 -6.433 6.639 1.00 0.70 O ATOM 1024 CB GLU A 64 10.928 -7.547 5.464 1.00 0.72 C ATOM 1025 CG GLU A 64 11.882 -8.349 4.576 1.00 0.96 C ATOM 1026 CD GLU A 64 12.936 -9.233 5.229 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.573 -10.259 5.864 1.00 1.71 O ATOM 1028 OE2 GLU A 64 14.125 -8.947 4.924 1.00 1.69 O ATOM 0 H GLU A 64 10.065 -6.175 2.672 1.00 0.57 H new ATOM 0 HA GLU A 64 9.336 -7.590 4.069 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.492 -6.826 6.055 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.428 -8.214 6.167 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.275 -8.984 3.931 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.401 -7.642 3.929 1.00 0.96 H new ATOM 1035 N SER A 65 8.320 -4.973 4.967 1.00 0.51 N ATOM 1036 CA SER A 65 7.521 -4.083 5.749 1.00 0.51 C ATOM 1037 C SER A 65 6.062 -4.386 5.714 1.00 0.43 C ATOM 1038 O SER A 65 5.377 -4.502 4.698 1.00 0.50 O ATOM 1039 CB SER A 65 7.713 -2.617 5.327 1.00 0.65 C ATOM 1040 OG SER A 65 9.088 -2.331 5.533 1.00 1.04 O ATOM 0 H SER A 65 8.368 -4.717 3.981 1.00 0.51 H new ATOM 0 HA SER A 65 7.876 -4.237 6.768 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.436 -2.471 4.283 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.083 -1.954 5.920 1.00 0.65 H new ATOM 0 HG SER A 65 9.544 -2.278 4.667 1.00 1.04 H new ATOM 1046 N THR A 66 5.341 -4.365 6.848 1.00 0.45 N ATOM 1047 CA THR A 66 3.972 -4.779 6.872 1.00 0.45 C ATOM 1048 C THR A 66 3.181 -3.527 6.707 1.00 0.43 C ATOM 1049 O THR A 66 3.127 -2.697 7.613 1.00 0.58 O ATOM 1050 CB THR A 66 3.561 -5.383 8.182 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.504 -6.332 8.658 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.170 -6.036 8.121 1.00 0.78 C ATOM 0 H THR A 66 5.706 -4.061 7.751 1.00 0.45 H new ATOM 0 HA THR A 66 3.814 -5.532 6.100 1.00 0.45 H new ATOM 0 HB THR A 66 3.520 -4.548 8.881 1.00 0.61 H new ATOM 0 HG1 THR A 66 4.196 -6.698 9.514 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.923 -6.457 9.095 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.427 -5.285 7.851 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.173 -6.829 7.373 1.00 0.78 H new ATOM 1060 N LEU A 67 2.565 -3.395 5.518 1.00 0.38 N ATOM 1061 CA LEU A 67 1.602 -2.384 5.208 1.00 0.38 C ATOM 1062 C LEU A 67 0.261 -3.009 5.382 1.00 0.37 C ATOM 1063 O LEU A 67 -0.012 -4.208 5.350 1.00 0.50 O ATOM 1064 CB LEU A 67 1.676 -1.807 3.785 1.00 0.46 C ATOM 1065 CG LEU A 67 2.923 -1.009 3.370 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.245 -1.771 3.573 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.706 -0.566 1.915 1.00 1.31 C ATOM 0 H LEU A 67 2.748 -4.024 4.736 1.00 0.38 H new ATOM 0 HA LEU A 67 1.802 -1.543 5.871 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.569 -2.637 3.087 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.810 -1.160 3.646 1.00 0.46 H new ATOM 0 HG LEU A 67 3.035 -0.142 4.021 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.079 -1.144 3.258 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.360 -2.025 4.627 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.233 -2.684 2.978 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.570 0.006 1.576 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.582 -1.445 1.282 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.812 0.055 1.853 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.737 -2.127 5.569 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.081 -2.554 5.810 1.00 0.37 C ATOM 1081 C HIS A 68 -2.912 -1.709 4.907 1.00 0.35 C ATOM 1082 O HIS A 68 -2.750 -0.495 4.791 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.612 -2.346 7.238 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.694 -2.843 8.316 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.489 -2.326 8.748 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.687 -4.098 8.841 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.159 -3.257 9.498 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.603 -4.321 9.666 1.00 1.51 N ATOM 0 H HIS A 68 -0.613 -1.115 5.553 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.120 -3.631 5.644 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.795 -1.283 7.394 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.573 -2.852 7.333 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.446 -4.838 8.635 1.00 1.48 H new ATOM 0 HE1 HIS A 68 1.155 -3.142 9.899 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.430 -5.126 10.269 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.656 -2.404 4.029 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.461 -1.779 3.025 1.00 0.38 C ATOM 1098 C LEU A 69 -5.797 -1.550 3.643 1.00 0.41 C ATOM 1099 O LEU A 69 -6.317 -2.473 4.269 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.505 -2.719 1.808 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.273 -2.312 0.540 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -4.571 -1.204 -0.261 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.446 -3.517 -0.400 1.00 1.14 C ATOM 0 H LEU A 69 -3.700 -3.423 4.016 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.073 -0.822 2.677 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.474 -2.912 1.512 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.922 -3.667 2.148 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.235 -1.939 0.891 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.163 -0.962 -1.144 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.467 -0.315 0.361 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -3.584 -1.548 -0.570 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.992 -3.208 -1.291 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.466 -3.897 -0.688 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.003 -4.301 0.113 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.316 -0.321 3.480 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.560 0.195 3.962 1.00 0.56 C ATOM 1117 C VAL A 70 -8.232 0.461 2.659 1.00 0.55 C ATOM 1118 O VAL A 70 -7.713 0.996 1.680 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.603 1.360 4.905 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -8.905 2.176 4.839 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.413 0.922 6.368 1.00 0.97 C ATOM 0 H VAL A 70 -5.806 0.387 2.952 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.022 -0.510 4.653 1.00 0.56 H new ATOM 0 HB VAL A 70 -6.778 1.991 4.574 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -8.855 2.999 5.551 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.034 2.574 3.833 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.750 1.533 5.086 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.451 1.797 7.017 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -8.207 0.229 6.646 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.447 0.430 6.478 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.514 0.059 2.600 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.306 0.199 1.418 1.00 0.84 C ATOM 1133 C LEU A 71 -11.406 1.169 1.678 1.00 0.85 C ATOM 1134 O LEU A 71 -12.369 0.851 2.374 1.00 1.03 O ATOM 1135 CB LEU A 71 -10.842 -1.159 0.935 1.00 1.26 C ATOM 1136 CG LEU A 71 -9.744 -2.185 0.611 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.270 -3.617 0.413 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -8.931 -1.834 -0.647 1.00 2.78 C ATOM 0 H LEU A 71 -10.008 -0.369 3.383 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.681 0.585 0.613 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.497 -1.573 1.702 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.452 -1.002 0.045 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.109 -2.143 1.496 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -9.437 -4.283 0.188 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -10.766 -3.952 1.324 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -10.980 -3.633 -0.413 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.174 -2.600 -0.817 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.597 -1.785 -1.509 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.445 -0.868 -0.508 1.00 2.78 H new