USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 542 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.03 (180deg=0.906) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 2:sc= 0.234 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0205 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0145 K(o=-0.015,f=-0.91) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.162 USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= -0.0108 (180deg=-0.106) USER MOD Single : A 24 ASN : amide:sc= -3.11! X(o=-3.1!,f=-3.1) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0223 X(o=-0.022,f=0) USER MOD Single : A 41 SER OG : rot -73:sc= 0.672 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0695 USER MOD Single : A 46 THR OG1 : rot 8:sc= 0.212 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0483 K(o=-0.048,f=-1.5!) USER MOD Single : A 53 GLN : amide:sc= -0.0537 K(o=-0.054,f=-0.59) USER MOD Single : A 56 GLN : amide:sc= -0.0563 K(o=-0.056,f=-0.96) USER MOD Single : A 62 HIS : no HE2:sc= 0.816 K(o=0.82,f=-3!) USER MOD Single : A 64 LYS NZ :NH3+ 153:sc= 1.12 (180deg=0.739) USER MOD Single : A 69 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0253) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.595 -12.944 -7.857 1.00 6.02 N ATOM 2 CA MET A 1 -12.783 -12.717 -8.694 1.00 5.05 C ATOM 3 C MET A 1 -13.188 -11.245 -8.557 1.00 4.02 C ATOM 4 O MET A 1 -13.949 -10.898 -7.662 1.00 4.54 O ATOM 5 CB MET A 1 -13.922 -13.661 -8.267 1.00 5.74 C ATOM 6 CG MET A 1 -15.251 -13.443 -9.010 1.00 5.89 C ATOM 7 SD MET A 1 -15.274 -13.925 -10.756 1.00 7.35 S ATOM 8 CE MET A 1 -16.610 -15.144 -10.711 1.00 8.14 C ATOM 0 H1 MET A 1 -11.351 -13.955 -7.867 1.00 6.02 H new ATOM 0 H2 MET A 1 -10.797 -12.392 -8.230 1.00 6.02 H new ATOM 0 H3 MET A 1 -11.796 -12.646 -6.881 1.00 6.02 H new ATOM 0 HA MET A 1 -12.564 -12.933 -9.740 1.00 5.05 H new ATOM 0 HB2 MET A 1 -13.599 -14.691 -8.422 1.00 5.74 H new ATOM 0 HB3 MET A 1 -14.095 -13.539 -7.198 1.00 5.74 H new ATOM 0 HG2 MET A 1 -16.031 -14.000 -8.490 1.00 5.89 H new ATOM 0 HG3 MET A 1 -15.513 -12.387 -8.942 1.00 5.89 H new ATOM 0 HE1 MET A 1 -16.765 -15.551 -11.710 1.00 8.14 H new ATOM 0 HE2 MET A 1 -16.344 -15.951 -10.028 1.00 8.14 H new ATOM 0 HE3 MET A 1 -17.527 -14.666 -10.367 1.00 8.14 H new ATOM 20 N ALA A 2 -12.686 -10.381 -9.446 1.00 3.72 N ATOM 21 CA ALA A 2 -12.937 -8.940 -9.418 1.00 3.64 C ATOM 22 C ALA A 2 -12.310 -8.251 -8.196 1.00 2.37 C ATOM 23 O ALA A 2 -12.747 -7.169 -7.805 1.00 3.06 O ATOM 24 CB ALA A 2 -14.437 -8.630 -9.553 1.00 5.22 C ATOM 0 H ALA A 2 -12.084 -10.670 -10.217 1.00 3.72 H new ATOM 0 HA ALA A 2 -12.436 -8.516 -10.289 1.00 3.64 H new ATOM 0 HB1 ALA A 2 -14.589 -7.551 -9.529 1.00 5.22 H new ATOM 0 HB2 ALA A 2 -14.807 -9.027 -10.498 1.00 5.22 H new ATOM 0 HB3 ALA A 2 -14.980 -9.092 -8.728 1.00 5.22 H new ATOM 30 N GLU A 3 -11.247 -8.839 -7.637 1.00 1.55 N ATOM 31 CA GLU A 3 -10.498 -8.281 -6.521 1.00 1.47 C ATOM 32 C GLU A 3 -9.793 -6.984 -6.938 1.00 0.96 C ATOM 33 O GLU A 3 -8.652 -6.994 -7.405 1.00 1.34 O ATOM 34 CB GLU A 3 -9.512 -9.331 -5.983 1.00 3.16 C ATOM 35 CG GLU A 3 -10.034 -10.049 -4.729 1.00 4.50 C ATOM 36 CD GLU A 3 -11.440 -10.609 -4.891 1.00 4.76 C ATOM 37 OE1 GLU A 3 -11.592 -11.532 -5.718 1.00 5.24 O ATOM 38 OE2 GLU A 3 -12.339 -10.104 -4.189 1.00 5.14 O ATOM 0 H GLU A 3 -10.881 -9.735 -7.959 1.00 1.55 H new ATOM 0 HA GLU A 3 -11.184 -8.022 -5.715 1.00 1.47 H new ATOM 0 HB2 GLU A 3 -9.312 -10.068 -6.761 1.00 3.16 H new ATOM 0 HB3 GLU A 3 -8.563 -8.847 -5.751 1.00 3.16 H new ATOM 0 HG2 GLU A 3 -9.354 -10.863 -4.477 1.00 4.50 H new ATOM 0 HG3 GLU A 3 -10.023 -9.353 -3.890 1.00 4.50 H new ATOM 45 N LYS A 4 -10.486 -5.864 -6.732 1.00 0.78 N ATOM 46 CA LYS A 4 -9.952 -4.513 -6.743 1.00 0.50 C ATOM 47 C LYS A 4 -10.460 -3.811 -5.482 1.00 0.43 C ATOM 48 O LYS A 4 -11.642 -3.924 -5.162 1.00 0.50 O ATOM 49 CB LYS A 4 -10.378 -3.770 -8.021 1.00 0.78 C ATOM 50 CG LYS A 4 -11.863 -3.982 -8.368 1.00 1.31 C ATOM 51 CD LYS A 4 -12.476 -2.810 -9.156 1.00 1.63 C ATOM 52 CE LYS A 4 -12.877 -3.190 -10.587 1.00 2.93 C ATOM 53 NZ LYS A 4 -11.702 -3.421 -11.451 1.00 4.38 N ATOM 0 H LYS A 4 -11.488 -5.882 -6.543 1.00 0.78 H new ATOM 0 HA LYS A 4 -8.862 -4.526 -6.744 1.00 0.50 H new ATOM 0 HB2 LYS A 4 -10.187 -2.704 -7.897 1.00 0.78 H new ATOM 0 HB3 LYS A 4 -9.763 -4.109 -8.855 1.00 0.78 H new ATOM 0 HG2 LYS A 4 -11.966 -4.897 -8.952 1.00 1.31 H new ATOM 0 HG3 LYS A 4 -12.427 -4.126 -7.447 1.00 1.31 H new ATOM 0 HD2 LYS A 4 -13.354 -2.443 -8.625 1.00 1.63 H new ATOM 0 HD3 LYS A 4 -11.759 -1.990 -9.192 1.00 1.63 H new ATOM 0 HE2 LYS A 4 -13.492 -4.090 -10.564 1.00 2.93 H new ATOM 0 HE3 LYS A 4 -13.490 -2.396 -11.014 1.00 2.93 H new ATOM 0 HZ1 LYS A 4 -12.020 -3.675 -12.408 1.00 4.38 H new ATOM 0 HZ2 LYS A 4 -11.128 -2.555 -11.495 1.00 4.38 H new ATOM 0 HZ3 LYS A 4 -11.130 -4.196 -11.059 1.00 4.38 H new ATOM 67 N THR A 5 -9.605 -3.098 -4.745 1.00 0.39 N ATOM 68 CA THR A 5 -10.024 -2.359 -3.562 1.00 0.47 C ATOM 69 C THR A 5 -9.040 -1.242 -3.359 1.00 0.43 C ATOM 70 O THR A 5 -7.875 -1.386 -3.723 1.00 0.35 O ATOM 71 CB THR A 5 -10.058 -3.258 -2.310 1.00 0.62 C ATOM 72 OG1 THR A 5 -11.044 -4.218 -2.533 1.00 0.77 O ATOM 73 CG2 THR A 5 -10.459 -2.520 -1.028 1.00 0.78 C ATOM 0 H THR A 5 -8.610 -3.020 -4.954 1.00 0.39 H new ATOM 0 HA THR A 5 -11.034 -1.978 -3.710 1.00 0.47 H new ATOM 0 HB THR A 5 -9.054 -3.657 -2.166 1.00 0.62 H new ATOM 0 HG1 THR A 5 -11.428 -4.091 -3.425 1.00 0.77 H new ATOM 0 HG21 THR A 5 -10.460 -3.219 -0.191 1.00 0.78 H new ATOM 0 HG22 THR A 5 -9.746 -1.719 -0.831 1.00 0.78 H new ATOM 0 HG23 THR A 5 -11.456 -2.097 -1.149 1.00 0.78 H new ATOM 81 N VAL A 6 -9.509 -0.157 -2.748 1.00 0.57 N ATOM 82 CA VAL A 6 -8.646 0.828 -2.165 1.00 0.46 C ATOM 83 C VAL A 6 -8.905 0.947 -0.670 1.00 0.39 C ATOM 84 O VAL A 6 -10.038 0.801 -0.216 1.00 0.48 O ATOM 85 CB VAL A 6 -8.724 2.131 -2.975 1.00 0.54 C ATOM 86 CG1 VAL A 6 -10.138 2.542 -3.386 1.00 0.68 C ATOM 87 CG2 VAL A 6 -8.034 3.323 -2.299 1.00 0.48 C ATOM 0 H VAL A 6 -10.503 0.051 -2.651 1.00 0.57 H new ATOM 0 HA VAL A 6 -7.601 0.524 -2.226 1.00 0.46 H new ATOM 0 HB VAL A 6 -8.174 1.875 -3.881 1.00 0.54 H new ATOM 0 HG11 VAL A 6 -10.096 3.472 -3.953 1.00 0.68 H new ATOM 0 HG12 VAL A 6 -10.579 1.760 -4.004 1.00 0.68 H new ATOM 0 HG13 VAL A 6 -10.748 2.688 -2.495 1.00 0.68 H new ATOM 0 HG21 VAL A 6 -8.131 4.206 -2.931 1.00 0.48 H new ATOM 0 HG22 VAL A 6 -8.502 3.514 -1.333 1.00 0.48 H new ATOM 0 HG23 VAL A 6 -6.978 3.097 -2.152 1.00 0.48 H new ATOM 97 N TYR A 7 -7.817 1.119 0.083 1.00 0.26 N ATOM 98 CA TYR A 7 -7.789 1.205 1.535 1.00 0.25 C ATOM 99 C TYR A 7 -7.148 2.551 1.885 1.00 0.26 C ATOM 100 O TYR A 7 -6.345 3.039 1.086 1.00 0.31 O ATOM 101 CB TYR A 7 -6.938 0.053 2.087 1.00 0.24 C ATOM 102 CG TYR A 7 -7.297 -1.351 1.625 1.00 0.28 C ATOM 103 CD1 TYR A 7 -6.867 -1.829 0.370 1.00 1.79 C ATOM 104 CD2 TYR A 7 -7.909 -2.242 2.527 1.00 1.64 C ATOM 105 CE1 TYR A 7 -7.116 -3.163 -0.002 1.00 1.79 C ATOM 106 CE2 TYR A 7 -8.190 -3.564 2.140 1.00 1.67 C ATOM 107 CZ TYR A 7 -7.814 -4.017 0.867 1.00 0.47 C ATOM 108 OH TYR A 7 -8.041 -5.314 0.517 1.00 0.66 O ATOM 0 H TYR A 7 -6.888 1.206 -0.329 1.00 0.26 H new ATOM 0 HA TYR A 7 -8.788 1.132 1.964 1.00 0.25 H new ATOM 0 HB2 TYR A 7 -5.898 0.242 1.821 1.00 0.24 H new ATOM 0 HB3 TYR A 7 -6.998 0.078 3.175 1.00 0.24 H new ATOM 0 HD1 TYR A 7 -6.345 -1.169 -0.308 1.00 1.79 H new ATOM 0 HD2 TYR A 7 -8.164 -1.908 3.522 1.00 1.64 H new ATOM 0 HE1 TYR A 7 -6.770 -3.530 -0.957 1.00 1.79 H new ATOM 0 HE2 TYR A 7 -8.695 -4.231 2.823 1.00 1.67 H new ATOM 0 HH TYR A 7 -8.536 -5.764 1.233 1.00 0.66 H new ATOM 118 N ARG A 8 -7.463 3.149 3.043 1.00 0.27 N ATOM 119 CA ARG A 8 -6.817 4.402 3.445 1.00 0.36 C ATOM 120 C ARG A 8 -5.622 4.127 4.336 1.00 0.28 C ATOM 121 O ARG A 8 -5.756 3.338 5.270 1.00 0.28 O ATOM 122 CB ARG A 8 -7.758 5.340 4.200 1.00 0.58 C ATOM 123 CG ARG A 8 -8.846 5.909 3.296 1.00 0.82 C ATOM 124 CD ARG A 8 -9.411 7.189 3.920 1.00 1.13 C ATOM 125 NE ARG A 8 -10.722 7.485 3.339 1.00 1.91 N ATOM 126 CZ ARG A 8 -11.646 8.313 3.835 1.00 2.61 C ATOM 127 NH1 ARG A 8 -11.307 9.231 4.747 1.00 2.93 N ATOM 128 NH2 ARG A 8 -12.899 8.182 3.403 1.00 3.87 N ATOM 0 H ARG A 8 -8.150 2.791 3.707 1.00 0.27 H new ATOM 0 HA ARG A 8 -6.509 4.887 2.518 1.00 0.36 H new ATOM 0 HB2 ARG A 8 -8.220 4.801 5.027 1.00 0.58 H new ATOM 0 HB3 ARG A 8 -7.183 6.158 4.634 1.00 0.58 H new ATOM 0 HG2 ARG A 8 -8.438 6.123 2.308 1.00 0.82 H new ATOM 0 HG3 ARG A 8 -9.641 5.176 3.161 1.00 0.82 H new ATOM 0 HD2 ARG A 8 -9.500 7.070 5.000 1.00 1.13 H new ATOM 0 HD3 ARG A 8 -8.729 8.021 3.746 1.00 1.13 H new ATOM 0 HE ARG A 8 -10.954 7.011 2.466 1.00 1.91 H new ATOM 0 HH11 ARG A 8 -10.341 9.301 5.066 1.00 2.93 H new ATOM 0 HH12 ARG A 8 -12.015 9.861 5.124 1.00 2.93 H new ATOM 0 HH21 ARG A 8 -13.129 7.466 2.714 1.00 3.87 H new ATOM 0 HH22 ARG A 8 -13.629 8.798 3.761 1.00 3.87 H new ATOM 142 N VAL A 9 -4.493 4.802 4.072 1.00 0.35 N ATOM 143 CA VAL A 9 -3.250 4.629 4.827 1.00 0.38 C ATOM 144 C VAL A 9 -2.943 5.901 5.611 1.00 0.50 C ATOM 145 O VAL A 9 -3.086 6.993 5.065 1.00 0.64 O ATOM 146 CB VAL A 9 -2.101 4.209 3.888 1.00 0.40 C ATOM 147 CG1 VAL A 9 -2.018 5.034 2.595 1.00 0.44 C ATOM 148 CG2 VAL A 9 -0.746 4.276 4.600 1.00 0.53 C ATOM 0 H VAL A 9 -4.420 5.489 3.321 1.00 0.35 H new ATOM 0 HA VAL A 9 -3.366 3.823 5.551 1.00 0.38 H new ATOM 0 HB VAL A 9 -2.334 3.181 3.609 1.00 0.40 H new ATOM 0 HG11 VAL A 9 -1.185 4.678 1.989 1.00 0.44 H new ATOM 0 HG12 VAL A 9 -2.947 4.927 2.035 1.00 0.44 H new ATOM 0 HG13 VAL A 9 -1.863 6.084 2.843 1.00 0.44 H new ATOM 0 HG21 VAL A 9 0.043 3.974 3.911 1.00 0.53 H new ATOM 0 HG22 VAL A 9 -0.562 5.296 4.937 1.00 0.53 H new ATOM 0 HG23 VAL A 9 -0.753 3.606 5.459 1.00 0.53 H new ATOM 158 N ASP A 10 -2.542 5.778 6.882 1.00 0.55 N ATOM 159 CA ASP A 10 -2.307 6.933 7.740 1.00 0.67 C ATOM 160 C ASP A 10 -1.003 6.760 8.534 1.00 0.67 C ATOM 161 O ASP A 10 -0.385 5.695 8.497 1.00 0.58 O ATOM 162 CB ASP A 10 -3.549 7.112 8.627 1.00 0.83 C ATOM 163 CG ASP A 10 -3.519 8.364 9.488 1.00 1.78 C ATOM 164 OD1 ASP A 10 -2.762 9.297 9.153 1.00 2.37 O ATOM 165 OD2 ASP A 10 -4.212 8.318 10.527 1.00 2.98 O ATOM 0 H ASP A 10 -2.374 4.881 7.337 1.00 0.55 H new ATOM 0 HA ASP A 10 -2.168 7.843 7.157 1.00 0.67 H new ATOM 0 HB2 ASP A 10 -4.435 7.141 7.992 1.00 0.83 H new ATOM 0 HB3 ASP A 10 -3.649 6.241 9.274 1.00 0.83 H new ATOM 170 N GLY A 11 -0.575 7.808 9.239 1.00 1.01 N ATOM 171 CA GLY A 11 0.595 7.821 10.107 1.00 1.08 C ATOM 172 C GLY A 11 1.851 8.288 9.373 1.00 1.13 C ATOM 173 O GLY A 11 2.598 9.116 9.890 1.00 1.62 O ATOM 0 H GLY A 11 -1.057 8.707 9.217 1.00 1.01 H new ATOM 0 HA2 GLY A 11 0.408 8.477 10.957 1.00 1.08 H new ATOM 0 HA3 GLY A 11 0.760 6.820 10.507 1.00 1.08 H new ATOM 177 N LEU A 12 2.097 7.737 8.181 1.00 1.10 N ATOM 178 CA LEU A 12 3.269 8.058 7.372 1.00 1.10 C ATOM 179 C LEU A 12 3.337 9.538 6.984 1.00 1.36 C ATOM 180 O LEU A 12 2.349 10.261 7.102 1.00 1.69 O ATOM 181 CB LEU A 12 3.295 7.155 6.133 1.00 1.13 C ATOM 182 CG LEU A 12 2.082 7.284 5.187 1.00 1.57 C ATOM 183 CD1 LEU A 12 2.096 8.534 4.292 1.00 1.77 C ATOM 184 CD2 LEU A 12 2.134 6.094 4.242 1.00 2.55 C ATOM 0 H LEU A 12 1.480 7.049 7.749 1.00 1.10 H new ATOM 0 HA LEU A 12 4.155 7.870 7.978 1.00 1.10 H new ATOM 0 HB2 LEU A 12 4.200 7.373 5.566 1.00 1.13 H new ATOM 0 HB3 LEU A 12 3.367 6.119 6.463 1.00 1.13 H new ATOM 0 HG LEU A 12 1.196 7.341 5.819 1.00 1.57 H new ATOM 0 HD11 LEU A 12 1.206 8.540 3.662 1.00 1.77 H new ATOM 0 HD12 LEU A 12 2.105 9.428 4.916 1.00 1.77 H new ATOM 0 HD13 LEU A 12 2.986 8.521 3.663 1.00 1.77 H new ATOM 0 HD21 LEU A 12 1.293 6.141 3.551 1.00 2.55 H new ATOM 0 HD22 LEU A 12 3.067 6.117 3.680 1.00 2.55 H new ATOM 0 HD23 LEU A 12 2.079 5.170 4.817 1.00 2.55 H new ATOM 196 N SER A 13 4.494 9.982 6.472 1.00 1.49 N ATOM 197 CA SER A 13 4.652 11.324 5.916 1.00 1.85 C ATOM 198 C SER A 13 5.951 11.437 5.102 1.00 1.66 C ATOM 199 O SER A 13 6.845 12.200 5.462 1.00 2.04 O ATOM 200 CB SER A 13 4.587 12.378 7.040 1.00 2.61 C ATOM 201 OG SER A 13 4.365 13.666 6.496 1.00 2.91 O ATOM 0 H SER A 13 5.343 9.418 6.434 1.00 1.49 H new ATOM 0 HA SER A 13 3.828 11.516 5.229 1.00 1.85 H new ATOM 0 HB2 SER A 13 3.787 12.127 7.736 1.00 2.61 H new ATOM 0 HB3 SER A 13 5.517 12.371 7.608 1.00 2.61 H new ATOM 0 HG SER A 13 4.324 14.325 7.221 1.00 2.91 H new ATOM 207 N CYS A 14 6.083 10.694 3.992 1.00 1.34 N ATOM 208 CA CYS A 14 7.205 10.884 3.073 1.00 1.27 C ATOM 209 C CYS A 14 6.849 10.372 1.677 1.00 1.16 C ATOM 210 O CYS A 14 6.280 9.291 1.543 1.00 1.14 O ATOM 211 CB CYS A 14 8.451 10.171 3.604 1.00 1.43 C ATOM 212 SG CYS A 14 9.808 10.439 2.438 1.00 2.05 S ATOM 0 H CYS A 14 5.429 9.962 3.714 1.00 1.34 H new ATOM 0 HA CYS A 14 7.418 11.951 3.002 1.00 1.27 H new ATOM 0 HB2 CYS A 14 8.716 10.556 4.589 1.00 1.43 H new ATOM 0 HB3 CYS A 14 8.257 9.105 3.720 1.00 1.43 H new ATOM 0 HG CYS A 14 10.878 9.842 2.873 1.00 2.05 H new ATOM 218 N THR A 15 7.163 11.145 0.631 1.00 1.27 N ATOM 219 CA THR A 15 6.894 10.750 -0.747 1.00 1.32 C ATOM 220 C THR A 15 7.776 9.569 -1.159 1.00 1.07 C ATOM 221 O THR A 15 7.285 8.617 -1.754 1.00 1.09 O ATOM 222 CB THR A 15 7.056 11.958 -1.680 1.00 1.54 C ATOM 223 OG1 THR A 15 6.152 12.971 -1.284 1.00 2.16 O ATOM 224 CG2 THR A 15 6.753 11.604 -3.139 1.00 1.61 C ATOM 0 H THR A 15 7.609 12.058 0.720 1.00 1.27 H new ATOM 0 HA THR A 15 5.862 10.409 -0.828 1.00 1.32 H new ATOM 0 HB THR A 15 8.092 12.290 -1.609 1.00 1.54 H new ATOM 0 HG1 THR A 15 6.251 13.747 -1.875 1.00 2.16 H new ATOM 0 HG21 THR A 15 6.881 12.489 -3.762 1.00 1.61 H new ATOM 0 HG22 THR A 15 7.436 10.823 -3.473 1.00 1.61 H new ATOM 0 HG23 THR A 15 5.726 11.247 -3.221 1.00 1.61 H new ATOM 232 N ASN A 16 9.075 9.592 -0.844 1.00 0.89 N ATOM 233 CA ASN A 16 9.987 8.520 -1.235 1.00 0.77 C ATOM 234 C ASN A 16 9.489 7.168 -0.720 1.00 0.57 C ATOM 235 O ASN A 16 9.516 6.161 -1.429 1.00 0.67 O ATOM 236 CB ASN A 16 11.416 8.807 -0.749 1.00 0.78 C ATOM 237 CG ASN A 16 12.061 9.982 -1.483 1.00 1.77 C ATOM 238 OD1 ASN A 16 11.804 10.211 -2.659 1.00 2.74 O ATOM 239 ND2 ASN A 16 12.899 10.753 -0.796 1.00 2.28 N ATOM 0 H ASN A 16 9.517 10.346 -0.317 1.00 0.89 H new ATOM 0 HA ASN A 16 10.010 8.476 -2.324 1.00 0.77 H new ATOM 0 HB2 ASN A 16 11.397 9.018 0.320 1.00 0.78 H new ATOM 0 HB3 ASN A 16 12.029 7.916 -0.887 1.00 0.78 H new ATOM 0 HD21 ASN A 16 13.342 11.553 -1.247 1.00 2.28 H new ATOM 0 HD22 ASN A 16 13.099 10.544 0.182 1.00 2.28 H new ATOM 246 N CYS A 17 8.979 7.152 0.510 1.00 0.46 N ATOM 247 CA CYS A 17 8.364 5.971 1.099 1.00 0.39 C ATOM 248 C CYS A 17 7.226 5.438 0.222 1.00 0.36 C ATOM 249 O CYS A 17 7.015 4.227 0.162 1.00 0.33 O ATOM 250 CB CYS A 17 7.865 6.296 2.509 1.00 0.47 C ATOM 251 SG CYS A 17 9.265 6.443 3.646 1.00 0.82 S ATOM 0 H CYS A 17 8.982 7.964 1.127 1.00 0.46 H new ATOM 0 HA CYS A 17 9.116 5.185 1.164 1.00 0.39 H new ATOM 0 HB2 CYS A 17 7.297 7.226 2.497 1.00 0.47 H new ATOM 0 HB3 CYS A 17 7.188 5.514 2.853 1.00 0.47 H new ATOM 0 HG CYS A 17 8.828 6.721 4.838 1.00 0.82 H new ATOM 257 N ALA A 18 6.501 6.319 -0.477 1.00 0.43 N ATOM 258 CA ALA A 18 5.451 5.919 -1.405 1.00 0.44 C ATOM 259 C ALA A 18 6.041 5.051 -2.511 1.00 0.41 C ATOM 260 O ALA A 18 5.450 4.041 -2.875 1.00 0.41 O ATOM 261 CB ALA A 18 4.761 7.141 -2.016 1.00 0.52 C ATOM 0 H ALA A 18 6.630 7.329 -0.411 1.00 0.43 H new ATOM 0 HA ALA A 18 4.706 5.348 -0.852 1.00 0.44 H new ATOM 0 HB1 ALA A 18 3.982 6.813 -2.704 1.00 0.52 H new ATOM 0 HB2 ALA A 18 4.315 7.741 -1.223 1.00 0.52 H new ATOM 0 HB3 ALA A 18 5.494 7.740 -2.556 1.00 0.52 H new ATOM 267 N ALA A 19 7.217 5.432 -3.022 1.00 0.43 N ATOM 268 CA ALA A 19 7.890 4.680 -4.074 1.00 0.44 C ATOM 269 C ALA A 19 8.251 3.294 -3.544 1.00 0.38 C ATOM 270 O ALA A 19 8.014 2.273 -4.191 1.00 0.39 O ATOM 271 CB ALA A 19 9.134 5.426 -4.566 1.00 0.52 C ATOM 0 H ALA A 19 7.722 6.264 -2.717 1.00 0.43 H new ATOM 0 HA ALA A 19 7.220 4.571 -4.927 1.00 0.44 H new ATOM 0 HB1 ALA A 19 9.620 4.846 -5.351 1.00 0.52 H new ATOM 0 HB2 ALA A 19 8.842 6.399 -4.962 1.00 0.52 H new ATOM 0 HB3 ALA A 19 9.827 5.565 -3.736 1.00 0.52 H new ATOM 277 N LYS A 20 8.800 3.263 -2.325 1.00 0.35 N ATOM 278 CA LYS A 20 9.050 2.014 -1.618 1.00 0.35 C ATOM 279 C LYS A 20 7.762 1.181 -1.588 1.00 0.31 C ATOM 280 O LYS A 20 7.787 -0.011 -1.887 1.00 0.34 O ATOM 281 CB LYS A 20 9.592 2.309 -0.207 1.00 0.46 C ATOM 282 CG LYS A 20 10.726 1.368 0.221 1.00 0.58 C ATOM 283 CD LYS A 20 10.276 -0.088 0.388 1.00 2.22 C ATOM 284 CE LYS A 20 11.417 -1.016 0.830 1.00 2.46 C ATOM 285 NZ LYS A 20 11.996 -0.625 2.133 1.00 2.86 N ATOM 0 H LYS A 20 9.079 4.098 -1.809 1.00 0.35 H new ATOM 0 HA LYS A 20 9.810 1.431 -2.137 1.00 0.35 H new ATOM 0 HB2 LYS A 20 9.951 3.338 -0.172 1.00 0.46 H new ATOM 0 HB3 LYS A 20 8.776 2.232 0.511 1.00 0.46 H new ATOM 0 HG2 LYS A 20 11.524 1.412 -0.520 1.00 0.58 H new ATOM 0 HG3 LYS A 20 11.146 1.721 1.163 1.00 0.58 H new ATOM 0 HD2 LYS A 20 9.472 -0.133 1.122 1.00 2.22 H new ATOM 0 HD3 LYS A 20 9.866 -0.448 -0.556 1.00 2.22 H new ATOM 0 HE2 LYS A 20 11.045 -2.038 0.894 1.00 2.46 H new ATOM 0 HE3 LYS A 20 12.200 -1.009 0.072 1.00 2.46 H new ATOM 0 HZ1 LYS A 20 12.652 -1.364 2.457 1.00 2.86 H new ATOM 0 HZ2 LYS A 20 12.510 0.273 2.029 1.00 2.86 H new ATOM 0 HZ3 LYS A 20 11.234 -0.509 2.831 1.00 2.86 H new ATOM 299 N PHE A 21 6.636 1.812 -1.246 1.00 0.35 N ATOM 300 CA PHE A 21 5.349 1.141 -1.175 1.00 0.40 C ATOM 301 C PHE A 21 4.913 0.578 -2.526 1.00 0.42 C ATOM 302 O PHE A 21 4.676 -0.622 -2.622 1.00 0.47 O ATOM 303 CB PHE A 21 4.273 2.061 -0.574 1.00 0.42 C ATOM 304 CG PHE A 21 3.359 1.360 0.410 1.00 0.89 C ATOM 305 CD1 PHE A 21 3.935 0.671 1.489 1.00 1.69 C ATOM 306 CD2 PHE A 21 1.957 1.486 0.344 1.00 2.35 C ATOM 307 CE1 PHE A 21 3.124 0.053 2.442 1.00 1.99 C ATOM 308 CE2 PHE A 21 1.167 1.049 1.424 1.00 2.58 C ATOM 309 CZ PHE A 21 1.756 0.319 2.468 1.00 1.73 C ATOM 0 H PHE A 21 6.598 2.804 -1.011 1.00 0.35 H new ATOM 0 HA PHE A 21 5.472 0.289 -0.506 1.00 0.40 H new ATOM 0 HB2 PHE A 21 4.760 2.897 -0.073 1.00 0.42 H new ATOM 0 HB3 PHE A 21 3.672 2.479 -1.381 1.00 0.42 H new ATOM 0 HD1 PHE A 21 5.010 0.619 1.582 1.00 1.69 H new ATOM 0 HD2 PHE A 21 1.491 1.916 -0.531 1.00 2.35 H new ATOM 0 HE1 PHE A 21 3.556 -0.630 3.158 1.00 1.99 H new ATOM 0 HE2 PHE A 21 0.111 1.275 1.449 1.00 2.58 H new ATOM 0 HZ PHE A 21 1.151 -0.036 3.289 1.00 1.73 H new ATOM 319 N GLU A 22 4.789 1.418 -3.563 1.00 0.42 N ATOM 320 CA GLU A 22 4.296 0.967 -4.859 1.00 0.49 C ATOM 321 C GLU A 22 5.142 -0.215 -5.325 1.00 0.38 C ATOM 322 O GLU A 22 4.609 -1.251 -5.719 1.00 0.36 O ATOM 323 CB GLU A 22 4.242 2.107 -5.899 1.00 0.62 C ATOM 324 CG GLU A 22 5.559 2.456 -6.588 1.00 0.72 C ATOM 325 CD GLU A 22 5.391 3.622 -7.547 1.00 1.25 C ATOM 326 OE1 GLU A 22 5.301 4.759 -7.040 1.00 2.60 O ATOM 327 OE2 GLU A 22 5.342 3.338 -8.763 1.00 1.81 O ATOM 0 H GLU A 22 5.024 2.410 -3.524 1.00 0.42 H new ATOM 0 HA GLU A 22 3.263 0.638 -4.751 1.00 0.49 H new ATOM 0 HB2 GLU A 22 3.516 1.837 -6.666 1.00 0.62 H new ATOM 0 HB3 GLU A 22 3.866 3.003 -5.405 1.00 0.62 H new ATOM 0 HG2 GLU A 22 6.309 2.705 -5.837 1.00 0.72 H new ATOM 0 HG3 GLU A 22 5.929 1.586 -7.131 1.00 0.72 H new ATOM 334 N ARG A 23 6.467 -0.064 -5.243 1.00 0.35 N ATOM 335 CA ARG A 23 7.392 -1.083 -5.693 1.00 0.36 C ATOM 336 C ARG A 23 7.207 -2.351 -4.860 1.00 0.34 C ATOM 337 O ARG A 23 7.017 -3.422 -5.424 1.00 0.36 O ATOM 338 CB ARG A 23 8.826 -0.550 -5.610 1.00 0.41 C ATOM 339 CG ARG A 23 9.744 -1.357 -6.529 1.00 0.68 C ATOM 340 CD ARG A 23 11.211 -1.065 -6.200 1.00 1.06 C ATOM 341 NE ARG A 23 12.095 -1.429 -7.318 1.00 1.41 N ATOM 342 CZ ARG A 23 12.413 -2.679 -7.696 1.00 2.44 C ATOM 343 NH1 ARG A 23 12.000 -3.737 -6.995 1.00 4.25 N ATOM 344 NH2 ARG A 23 13.150 -2.864 -8.797 1.00 2.86 N ATOM 0 H ARG A 23 6.918 0.768 -4.863 1.00 0.35 H new ATOM 0 HA ARG A 23 7.191 -1.337 -6.734 1.00 0.36 H new ATOM 0 HB2 ARG A 23 8.848 0.502 -5.895 1.00 0.41 H new ATOM 0 HB3 ARG A 23 9.185 -0.609 -4.582 1.00 0.41 H new ATOM 0 HG2 ARG A 23 9.543 -2.422 -6.412 1.00 0.68 H new ATOM 0 HG3 ARG A 23 9.540 -1.106 -7.570 1.00 0.68 H new ATOM 0 HD2 ARG A 23 11.330 -0.006 -5.970 1.00 1.06 H new ATOM 0 HD3 ARG A 23 11.503 -1.620 -5.308 1.00 1.06 H new ATOM 0 HE ARG A 23 12.503 -0.664 -7.855 1.00 1.41 H new ATOM 0 HH11 ARG A 23 11.433 -3.604 -6.157 1.00 4.25 H new ATOM 0 HH12 ARG A 23 12.251 -4.678 -7.297 1.00 4.25 H new ATOM 0 HH21 ARG A 23 13.465 -2.061 -9.341 1.00 2.86 H new ATOM 0 HH22 ARG A 23 13.397 -3.808 -9.093 1.00 2.86 H new ATOM 358 N ASN A 24 7.212 -2.231 -3.527 1.00 0.33 N ATOM 359 CA ASN A 24 6.955 -3.360 -2.638 1.00 0.34 C ATOM 360 C ASN A 24 5.690 -4.099 -3.073 1.00 0.35 C ATOM 361 O ASN A 24 5.688 -5.321 -3.169 1.00 0.37 O ATOM 362 CB ASN A 24 6.778 -2.897 -1.185 1.00 0.40 C ATOM 363 CG ASN A 24 8.073 -2.751 -0.390 1.00 0.66 C ATOM 364 OD1 ASN A 24 9.180 -2.934 -0.883 1.00 1.39 O ATOM 365 ND2 ASN A 24 7.940 -2.445 0.899 1.00 1.09 N ATOM 0 H ASN A 24 7.394 -1.353 -3.041 1.00 0.33 H new ATOM 0 HA ASN A 24 7.817 -4.025 -2.697 1.00 0.34 H new ATOM 0 HB2 ASN A 24 6.260 -1.938 -1.186 1.00 0.40 H new ATOM 0 HB3 ASN A 24 6.132 -3.607 -0.670 1.00 0.40 H new ATOM 0 HD21 ASN A 24 8.766 -2.360 1.491 1.00 1.09 H new ATOM 0 HD22 ASN A 24 7.012 -2.296 1.295 1.00 1.09 H new ATOM 372 N VAL A 25 4.605 -3.366 -3.330 1.00 0.36 N ATOM 373 CA VAL A 25 3.357 -3.983 -3.754 1.00 0.35 C ATOM 374 C VAL A 25 3.552 -4.698 -5.095 1.00 0.35 C ATOM 375 O VAL A 25 3.199 -5.865 -5.230 1.00 0.35 O ATOM 376 CB VAL A 25 2.206 -2.960 -3.788 1.00 0.38 C ATOM 377 CG1 VAL A 25 0.886 -3.706 -4.020 1.00 0.33 C ATOM 378 CG2 VAL A 25 2.087 -2.133 -2.498 1.00 0.50 C ATOM 0 H VAL A 25 4.570 -2.350 -3.251 1.00 0.36 H new ATOM 0 HA VAL A 25 3.069 -4.736 -3.020 1.00 0.35 H new ATOM 0 HB VAL A 25 2.423 -2.262 -4.597 1.00 0.38 H new ATOM 0 HG11 VAL A 25 0.064 -2.991 -4.046 1.00 0.33 H new ATOM 0 HG12 VAL A 25 0.932 -4.241 -4.969 1.00 0.33 H new ATOM 0 HG13 VAL A 25 0.723 -4.417 -3.210 1.00 0.33 H new ATOM 0 HG21 VAL A 25 1.257 -1.433 -2.590 1.00 0.50 H new ATOM 0 HG22 VAL A 25 1.908 -2.799 -1.654 1.00 0.50 H new ATOM 0 HG23 VAL A 25 3.012 -1.580 -2.334 1.00 0.50 H new ATOM 388 N LYS A 26 4.145 -4.015 -6.077 1.00 0.37 N ATOM 389 CA LYS A 26 4.527 -4.599 -7.360 1.00 0.37 C ATOM 390 C LYS A 26 5.348 -5.890 -7.189 1.00 0.34 C ATOM 391 O LYS A 26 5.201 -6.811 -7.987 1.00 0.37 O ATOM 392 CB LYS A 26 5.272 -3.537 -8.192 1.00 0.40 C ATOM 393 CG LYS A 26 4.331 -2.682 -9.052 1.00 0.59 C ATOM 394 CD LYS A 26 4.647 -1.179 -8.985 1.00 0.54 C ATOM 395 CE LYS A 26 4.006 -0.389 -10.135 1.00 0.63 C ATOM 396 NZ LYS A 26 4.798 -0.477 -11.379 1.00 2.27 N ATOM 0 H LYS A 26 4.376 -3.025 -5.999 1.00 0.37 H new ATOM 0 HA LYS A 26 3.626 -4.898 -7.896 1.00 0.37 H new ATOM 0 HB2 LYS A 26 5.834 -2.887 -7.522 1.00 0.40 H new ATOM 0 HB3 LYS A 26 5.997 -4.032 -8.838 1.00 0.40 H new ATOM 0 HG2 LYS A 26 4.394 -3.014 -10.088 1.00 0.59 H new ATOM 0 HG3 LYS A 26 3.303 -2.845 -8.727 1.00 0.59 H new ATOM 0 HD2 LYS A 26 4.295 -0.779 -8.034 1.00 0.54 H new ATOM 0 HD3 LYS A 26 5.727 -1.037 -9.010 1.00 0.54 H new ATOM 0 HE2 LYS A 26 3.001 -0.768 -10.318 1.00 0.63 H new ATOM 0 HE3 LYS A 26 3.904 0.656 -9.844 1.00 0.63 H new ATOM 0 HZ1 LYS A 26 4.329 0.070 -12.129 1.00 2.27 H new ATOM 0 HZ2 LYS A 26 5.750 -0.092 -11.213 1.00 2.27 H new ATOM 0 HZ3 LYS A 26 4.874 -1.472 -11.673 1.00 2.27 H new ATOM 410 N GLU A 27 6.204 -5.973 -6.166 1.00 0.32 N ATOM 411 CA GLU A 27 6.994 -7.165 -5.877 1.00 0.33 C ATOM 412 C GLU A 27 6.150 -8.344 -5.348 1.00 0.33 C ATOM 413 O GLU A 27 6.660 -9.462 -5.291 1.00 0.44 O ATOM 414 CB GLU A 27 8.147 -6.805 -4.921 1.00 0.40 C ATOM 415 CG GLU A 27 9.182 -5.875 -5.578 1.00 0.53 C ATOM 416 CD GLU A 27 10.113 -5.226 -4.559 1.00 1.40 C ATOM 417 OE1 GLU A 27 10.403 -5.882 -3.538 1.00 2.44 O ATOM 418 OE2 GLU A 27 10.558 -4.091 -4.846 1.00 2.87 O ATOM 0 H GLU A 27 6.367 -5.207 -5.513 1.00 0.32 H new ATOM 0 HA GLU A 27 7.413 -7.518 -6.819 1.00 0.33 H new ATOM 0 HB2 GLU A 27 7.741 -6.323 -4.032 1.00 0.40 H new ATOM 0 HB3 GLU A 27 8.641 -7.719 -4.591 1.00 0.40 H new ATOM 0 HG2 GLU A 27 9.774 -6.444 -6.295 1.00 0.53 H new ATOM 0 HG3 GLU A 27 8.663 -5.097 -6.138 1.00 0.53 H new ATOM 425 N ILE A 28 4.885 -8.144 -4.954 1.00 0.32 N ATOM 426 CA ILE A 28 4.029 -9.241 -4.502 1.00 0.33 C ATOM 427 C ILE A 28 3.494 -10.016 -5.714 1.00 0.34 C ATOM 428 O ILE A 28 2.904 -9.443 -6.623 1.00 0.52 O ATOM 429 CB ILE A 28 2.849 -8.722 -3.660 1.00 0.36 C ATOM 430 CG1 ILE A 28 3.250 -7.893 -2.433 1.00 0.36 C ATOM 431 CG2 ILE A 28 1.906 -9.861 -3.229 1.00 0.47 C ATOM 432 CD1 ILE A 28 2.067 -7.014 -2.008 1.00 1.41 C ATOM 0 H ILE A 28 4.434 -7.229 -4.940 1.00 0.32 H new ATOM 0 HA ILE A 28 4.630 -9.901 -3.876 1.00 0.33 H new ATOM 0 HB ILE A 28 2.324 -8.044 -4.333 1.00 0.36 H new ATOM 0 HG12 ILE A 28 3.542 -8.551 -1.614 1.00 0.36 H new ATOM 0 HG13 ILE A 28 4.115 -7.272 -2.666 1.00 0.36 H new ATOM 0 HG21 ILE A 28 1.087 -9.451 -2.637 1.00 0.47 H new ATOM 0 HG22 ILE A 28 1.503 -10.354 -4.114 1.00 0.47 H new ATOM 0 HG23 ILE A 28 2.459 -10.585 -2.631 1.00 0.47 H new ATOM 0 HD11 ILE A 28 2.348 -6.423 -1.136 1.00 1.41 H new ATOM 0 HD12 ILE A 28 1.797 -6.347 -2.827 1.00 1.41 H new ATOM 0 HD13 ILE A 28 1.215 -7.646 -1.759 1.00 1.41 H new ATOM 444 N GLU A 29 3.604 -11.344 -5.668 1.00 0.37 N ATOM 445 CA GLU A 29 3.164 -12.290 -6.688 1.00 0.47 C ATOM 446 C GLU A 29 1.681 -12.687 -6.525 1.00 0.73 C ATOM 447 O GLU A 29 1.254 -13.731 -7.008 1.00 1.88 O ATOM 448 CB GLU A 29 4.092 -13.512 -6.572 1.00 0.67 C ATOM 449 CG GLU A 29 5.386 -13.340 -7.381 1.00 0.81 C ATOM 450 CD GLU A 29 5.245 -13.913 -8.789 1.00 1.84 C ATOM 451 OE1 GLU A 29 4.392 -13.388 -9.534 1.00 3.55 O ATOM 452 OE2 GLU A 29 5.980 -14.879 -9.082 1.00 2.25 O ATOM 0 H GLU A 29 4.029 -11.814 -4.868 1.00 0.37 H new ATOM 0 HA GLU A 29 3.227 -11.837 -7.677 1.00 0.47 H new ATOM 0 HB2 GLU A 29 4.341 -13.678 -5.524 1.00 0.67 H new ATOM 0 HB3 GLU A 29 3.564 -14.400 -6.919 1.00 0.67 H new ATOM 0 HG2 GLU A 29 5.641 -12.282 -7.441 1.00 0.81 H new ATOM 0 HG3 GLU A 29 6.208 -13.837 -6.865 1.00 0.81 H new ATOM 459 N GLY A 30 0.894 -11.869 -5.822 1.00 0.67 N ATOM 460 CA GLY A 30 -0.520 -12.111 -5.536 1.00 0.78 C ATOM 461 C GLY A 30 -1.422 -10.980 -6.037 1.00 0.75 C ATOM 462 O GLY A 30 -2.645 -11.119 -6.062 1.00 1.13 O ATOM 0 H GLY A 30 1.235 -10.994 -5.425 1.00 0.67 H new ATOM 0 HA2 GLY A 30 -0.826 -13.048 -6.001 1.00 0.78 H new ATOM 0 HA3 GLY A 30 -0.655 -12.229 -4.461 1.00 0.78 H new ATOM 466 N VAL A 31 -0.833 -9.841 -6.408 1.00 0.46 N ATOM 467 CA VAL A 31 -1.517 -8.666 -6.884 1.00 0.45 C ATOM 468 C VAL A 31 -1.090 -8.444 -8.339 1.00 0.41 C ATOM 469 O VAL A 31 -0.037 -8.925 -8.749 1.00 0.58 O ATOM 470 CB VAL A 31 -1.140 -7.521 -5.936 1.00 0.52 C ATOM 471 CG1 VAL A 31 0.305 -7.057 -6.110 1.00 0.60 C ATOM 472 CG2 VAL A 31 -2.054 -6.327 -6.130 1.00 0.55 C ATOM 0 H VAL A 31 0.179 -9.721 -6.378 1.00 0.46 H new ATOM 0 HA VAL A 31 -2.604 -8.748 -6.883 1.00 0.45 H new ATOM 0 HB VAL A 31 -1.254 -7.924 -4.930 1.00 0.52 H new ATOM 0 HG11 VAL A 31 0.513 -6.246 -5.413 1.00 0.60 H new ATOM 0 HG12 VAL A 31 0.981 -7.889 -5.911 1.00 0.60 H new ATOM 0 HG13 VAL A 31 0.454 -6.705 -7.131 1.00 0.60 H new ATOM 0 HG21 VAL A 31 -1.763 -5.531 -5.445 1.00 0.55 H new ATOM 0 HG22 VAL A 31 -1.973 -5.970 -7.157 1.00 0.55 H new ATOM 0 HG23 VAL A 31 -3.084 -6.621 -5.928 1.00 0.55 H new ATOM 482 N THR A 32 -1.912 -7.733 -9.109 1.00 0.48 N ATOM 483 CA THR A 32 -1.681 -7.436 -10.513 1.00 0.53 C ATOM 484 C THR A 32 -1.357 -5.956 -10.645 1.00 0.51 C ATOM 485 O THR A 32 -0.269 -5.613 -11.104 1.00 0.55 O ATOM 486 CB THR A 32 -2.908 -7.835 -11.348 1.00 0.57 C ATOM 487 OG1 THR A 32 -3.187 -9.203 -11.131 1.00 0.62 O ATOM 488 CG2 THR A 32 -2.662 -7.600 -12.842 1.00 0.65 C ATOM 0 H THR A 32 -2.784 -7.337 -8.757 1.00 0.48 H new ATOM 0 HA THR A 32 -0.838 -8.013 -10.893 1.00 0.53 H new ATOM 0 HB THR A 32 -3.753 -7.219 -11.039 1.00 0.57 H new ATOM 0 HG1 THR A 32 -3.970 -9.465 -11.659 1.00 0.62 H new ATOM 0 HG21 THR A 32 -3.547 -7.892 -13.407 1.00 0.65 H new ATOM 0 HG22 THR A 32 -2.453 -6.544 -13.015 1.00 0.65 H new ATOM 0 HG23 THR A 32 -1.810 -8.197 -13.169 1.00 0.65 H new ATOM 496 N GLU A 33 -2.286 -5.085 -10.232 1.00 0.49 N ATOM 497 CA GLU A 33 -2.025 -3.647 -10.226 1.00 0.52 C ATOM 498 C GLU A 33 -2.084 -3.098 -8.807 1.00 0.44 C ATOM 499 O GLU A 33 -2.846 -3.588 -7.979 1.00 0.60 O ATOM 500 CB GLU A 33 -2.994 -2.895 -11.145 1.00 0.65 C ATOM 501 CG GLU A 33 -2.684 -3.142 -12.626 1.00 0.85 C ATOM 502 CD GLU A 33 -3.135 -1.957 -13.470 1.00 1.46 C ATOM 503 OE1 GLU A 33 -2.504 -0.890 -13.314 1.00 1.46 O ATOM 504 OE2 GLU A 33 -4.111 -2.132 -14.229 1.00 2.94 O ATOM 0 H GLU A 33 -3.214 -5.350 -9.902 1.00 0.49 H new ATOM 0 HA GLU A 33 -1.019 -3.490 -10.615 1.00 0.52 H new ATOM 0 HB2 GLU A 33 -4.016 -3.209 -10.930 1.00 0.65 H new ATOM 0 HB3 GLU A 33 -2.938 -1.827 -10.935 1.00 0.65 H new ATOM 0 HG2 GLU A 33 -1.614 -3.304 -12.758 1.00 0.85 H new ATOM 0 HG3 GLU A 33 -3.187 -4.048 -12.963 1.00 0.85 H new ATOM 511 N ALA A 34 -1.295 -2.061 -8.523 1.00 0.38 N ATOM 512 CA ALA A 34 -1.374 -1.359 -7.261 1.00 0.41 C ATOM 513 C ALA A 34 -0.967 0.090 -7.455 1.00 0.47 C ATOM 514 O ALA A 34 0.065 0.350 -8.072 1.00 0.52 O ATOM 515 CB ALA A 34 -0.474 -2.034 -6.240 1.00 0.58 C ATOM 0 H ALA A 34 -0.591 -1.693 -9.163 1.00 0.38 H new ATOM 0 HA ALA A 34 -2.400 -1.387 -6.893 1.00 0.41 H new ATOM 0 HB1 ALA A 34 -0.537 -1.501 -5.291 1.00 0.58 H new ATOM 0 HB2 ALA A 34 -0.794 -3.066 -6.099 1.00 0.58 H new ATOM 0 HB3 ALA A 34 0.556 -2.019 -6.597 1.00 0.58 H new ATOM 521 N ILE A 35 -1.792 1.023 -6.971 1.00 0.50 N ATOM 522 CA ILE A 35 -1.593 2.450 -7.175 1.00 0.55 C ATOM 523 C ILE A 35 -1.707 3.124 -5.808 1.00 0.46 C ATOM 524 O ILE A 35 -2.809 3.284 -5.277 1.00 0.49 O ATOM 525 CB ILE A 35 -2.623 2.984 -8.193 1.00 0.66 C ATOM 526 CG1 ILE A 35 -2.611 2.198 -9.523 1.00 0.77 C ATOM 527 CG2 ILE A 35 -2.357 4.466 -8.488 1.00 0.72 C ATOM 528 CD1 ILE A 35 -4.030 1.955 -10.042 1.00 1.33 C ATOM 0 H ILE A 35 -2.623 0.801 -6.422 1.00 0.50 H new ATOM 0 HA ILE A 35 -0.610 2.667 -7.594 1.00 0.55 H new ATOM 0 HB ILE A 35 -3.605 2.855 -7.738 1.00 0.66 H new ATOM 0 HG12 ILE A 35 -2.039 2.751 -10.269 1.00 0.77 H new ATOM 0 HG13 ILE A 35 -2.107 1.243 -9.378 1.00 0.77 H new ATOM 0 HG21 ILE A 35 -3.090 4.831 -9.207 1.00 0.72 H new ATOM 0 HG22 ILE A 35 -2.437 5.041 -7.565 1.00 0.72 H new ATOM 0 HG23 ILE A 35 -1.355 4.581 -8.901 1.00 0.72 H new ATOM 0 HD11 ILE A 35 -3.985 1.400 -10.979 1.00 1.33 H new ATOM 0 HD12 ILE A 35 -4.593 1.380 -9.306 1.00 1.33 H new ATOM 0 HD13 ILE A 35 -4.524 2.912 -10.211 1.00 1.33 H new ATOM 540 N VAL A 36 -0.568 3.484 -5.213 1.00 0.45 N ATOM 541 CA VAL A 36 -0.527 4.152 -3.919 1.00 0.40 C ATOM 542 C VAL A 36 -0.598 5.672 -4.089 1.00 0.45 C ATOM 543 O VAL A 36 -0.071 6.218 -5.054 1.00 0.74 O ATOM 544 CB VAL A 36 0.694 3.688 -3.112 1.00 0.49 C ATOM 545 CG1 VAL A 36 1.987 3.787 -3.912 1.00 1.99 C ATOM 546 CG2 VAL A 36 0.835 4.467 -1.808 1.00 1.91 C ATOM 0 H VAL A 36 0.353 3.318 -5.620 1.00 0.45 H new ATOM 0 HA VAL A 36 -1.407 3.869 -3.341 1.00 0.40 H new ATOM 0 HB VAL A 36 0.520 2.638 -2.878 1.00 0.49 H new ATOM 0 HG11 VAL A 36 2.821 3.448 -3.298 1.00 1.99 H new ATOM 0 HG12 VAL A 36 1.913 3.162 -4.802 1.00 1.99 H new ATOM 0 HG13 VAL A 36 2.153 4.823 -4.209 1.00 1.99 H new ATOM 0 HG21 VAL A 36 1.710 4.111 -1.264 1.00 1.91 H new ATOM 0 HG22 VAL A 36 0.952 5.528 -2.029 1.00 1.91 H new ATOM 0 HG23 VAL A 36 -0.056 4.320 -1.198 1.00 1.91 H new ATOM 556 N ASN A 37 -1.267 6.354 -3.153 1.00 0.43 N ATOM 557 CA ASN A 37 -1.389 7.805 -3.101 1.00 0.49 C ATOM 558 C ASN A 37 -1.136 8.263 -1.657 1.00 0.79 C ATOM 559 O ASN A 37 -2.000 8.859 -1.009 1.00 1.91 O ATOM 560 CB ASN A 37 -2.777 8.232 -3.605 1.00 0.77 C ATOM 561 CG ASN A 37 -2.898 8.328 -5.122 1.00 1.02 C ATOM 562 OD1 ASN A 37 -3.025 9.423 -5.659 1.00 1.68 O ATOM 563 ND2 ASN A 37 -2.946 7.200 -5.822 1.00 1.98 N ATOM 0 H ASN A 37 -1.754 5.889 -2.386 1.00 0.43 H new ATOM 0 HA ASN A 37 -0.652 8.278 -3.750 1.00 0.49 H new ATOM 0 HB2 ASN A 37 -3.517 7.521 -3.239 1.00 0.77 H new ATOM 0 HB3 ASN A 37 -3.024 9.201 -3.172 1.00 0.77 H new ATOM 0 HD21 ASN A 37 -3.091 7.232 -6.831 1.00 1.98 H new ATOM 0 HD22 ASN A 37 -2.837 6.302 -5.350 1.00 1.98 H new ATOM 570 N PHE A 38 0.091 8.036 -1.170 1.00 0.89 N ATOM 571 CA PHE A 38 0.584 8.556 0.110 1.00 1.04 C ATOM 572 C PHE A 38 0.450 10.060 0.214 1.00 1.17 C ATOM 573 O PHE A 38 0.483 10.606 1.311 1.00 2.06 O ATOM 574 CB PHE A 38 2.080 8.283 0.267 1.00 1.39 C ATOM 575 CG PHE A 38 2.478 6.903 0.709 1.00 1.48 C ATOM 576 CD1 PHE A 38 1.539 5.865 0.815 1.00 1.56 C ATOM 577 CD2 PHE A 38 3.778 6.718 1.199 1.00 2.54 C ATOM 578 CE1 PHE A 38 1.926 4.625 1.334 1.00 1.75 C ATOM 579 CE2 PHE A 38 4.179 5.458 1.657 1.00 2.88 C ATOM 580 CZ PHE A 38 3.260 4.400 1.708 1.00 2.15 C ATOM 0 H PHE A 38 0.782 7.474 -1.666 1.00 0.89 H new ATOM 0 HA PHE A 38 -0.017 8.057 0.870 1.00 1.04 H new ATOM 0 HB2 PHE A 38 2.564 8.485 -0.689 1.00 1.39 H new ATOM 0 HB3 PHE A 38 2.481 8.998 0.985 1.00 1.39 H new ATOM 0 HD1 PHE A 38 0.519 6.023 0.496 1.00 1.56 H new ATOM 0 HD2 PHE A 38 4.470 7.547 1.223 1.00 2.54 H new ATOM 0 HE1 PHE A 38 1.195 3.838 1.447 1.00 1.75 H new ATOM 0 HE2 PHE A 38 5.200 5.300 1.972 1.00 2.88 H new ATOM 0 HZ PHE A 38 3.576 3.420 2.033 1.00 2.15 H new ATOM 590 N GLY A 39 0.360 10.740 -0.926 1.00 2.50 N ATOM 591 CA GLY A 39 0.179 12.168 -0.908 1.00 2.81 C ATOM 592 C GLY A 39 -1.092 12.569 -0.147 1.00 2.79 C ATOM 593 O GLY A 39 -1.199 13.715 0.283 1.00 3.39 O ATOM 0 H GLY A 39 0.410 10.323 -1.855 1.00 2.50 H new ATOM 0 HA2 GLY A 39 1.045 12.639 -0.443 1.00 2.81 H new ATOM 0 HA3 GLY A 39 0.124 12.541 -1.931 1.00 2.81 H new ATOM 597 N ALA A 40 -2.040 11.636 0.044 1.00 2.38 N ATOM 598 CA ALA A 40 -3.052 11.753 1.081 1.00 2.01 C ATOM 599 C ALA A 40 -3.015 10.489 1.948 1.00 1.37 C ATOM 600 O ALA A 40 -2.096 10.310 2.740 1.00 3.21 O ATOM 601 CB ALA A 40 -4.416 12.036 0.441 1.00 3.44 C ATOM 0 H ALA A 40 -2.117 10.788 -0.518 1.00 2.38 H new ATOM 0 HA ALA A 40 -2.854 12.596 1.743 1.00 2.01 H new ATOM 0 HB1 ALA A 40 -5.173 12.123 1.221 1.00 3.44 H new ATOM 0 HB2 ALA A 40 -4.367 12.967 -0.123 1.00 3.44 H new ATOM 0 HB3 ALA A 40 -4.679 11.219 -0.230 1.00 3.44 H new ATOM 607 N SER A 41 -4.007 9.609 1.799 1.00 0.66 N ATOM 608 CA SER A 41 -4.213 8.439 2.615 1.00 2.08 C ATOM 609 C SER A 41 -5.042 7.481 1.778 1.00 0.93 C ATOM 610 O SER A 41 -6.215 7.281 2.074 1.00 0.68 O ATOM 611 CB SER A 41 -4.973 8.830 3.894 1.00 4.24 C ATOM 612 OG SER A 41 -4.123 9.524 4.776 1.00 5.46 O ATOM 0 H SER A 41 -4.713 9.709 1.070 1.00 0.66 H new ATOM 0 HA SER A 41 -3.270 7.982 2.916 1.00 2.08 H new ATOM 0 HB2 SER A 41 -5.830 9.453 3.639 1.00 4.24 H new ATOM 0 HB3 SER A 41 -5.362 7.936 4.381 1.00 4.24 H new ATOM 0 HG SER A 41 -3.483 8.898 5.174 1.00 5.46 H new ATOM 618 N LYS A 42 -4.467 6.930 0.709 1.00 0.77 N ATOM 619 CA LYS A 42 -5.166 5.977 -0.137 1.00 0.37 C ATOM 620 C LYS A 42 -4.157 5.062 -0.822 1.00 0.32 C ATOM 621 O LYS A 42 -3.097 5.522 -1.248 1.00 0.62 O ATOM 622 CB LYS A 42 -6.089 6.670 -1.158 1.00 1.32 C ATOM 623 CG LYS A 42 -5.742 8.139 -1.447 1.00 2.04 C ATOM 624 CD LYS A 42 -6.350 8.579 -2.788 1.00 2.59 C ATOM 625 CE LYS A 42 -6.165 10.091 -2.996 1.00 4.54 C ATOM 626 NZ LYS A 42 -6.463 10.507 -4.383 1.00 5.63 N ATOM 0 H LYS A 42 -3.513 7.132 0.411 1.00 0.77 H new ATOM 0 HA LYS A 42 -5.816 5.373 0.496 1.00 0.37 H new ATOM 0 HB2 LYS A 42 -6.055 6.112 -2.094 1.00 1.32 H new ATOM 0 HB3 LYS A 42 -7.115 6.619 -0.793 1.00 1.32 H new ATOM 0 HG2 LYS A 42 -6.118 8.773 -0.644 1.00 2.04 H new ATOM 0 HG3 LYS A 42 -4.660 8.266 -1.472 1.00 2.04 H new ATOM 0 HD2 LYS A 42 -5.877 8.034 -3.604 1.00 2.59 H new ATOM 0 HD3 LYS A 42 -7.411 8.330 -2.811 1.00 2.59 H new ATOM 0 HE2 LYS A 42 -6.815 10.632 -2.309 1.00 4.54 H new ATOM 0 HE3 LYS A 42 -5.140 10.367 -2.749 1.00 4.54 H new ATOM 0 HZ1 LYS A 42 -6.324 11.534 -4.475 1.00 5.63 H new ATOM 0 HZ2 LYS A 42 -5.826 10.012 -5.039 1.00 5.63 H new ATOM 0 HZ3 LYS A 42 -7.449 10.269 -4.613 1.00 5.63 H new ATOM 640 N ILE A 43 -4.493 3.774 -0.925 1.00 0.31 N ATOM 641 CA ILE A 43 -3.709 2.778 -1.637 1.00 0.30 C ATOM 642 C ILE A 43 -4.667 1.807 -2.332 1.00 0.30 C ATOM 643 O ILE A 43 -5.435 1.117 -1.663 1.00 0.30 O ATOM 644 CB ILE A 43 -2.684 2.140 -0.673 1.00 0.31 C ATOM 645 CG1 ILE A 43 -1.714 1.115 -1.294 1.00 0.36 C ATOM 646 CG2 ILE A 43 -3.328 1.588 0.602 1.00 0.34 C ATOM 647 CD1 ILE A 43 -2.299 -0.243 -1.672 1.00 0.78 C ATOM 0 H ILE A 43 -5.339 3.392 -0.503 1.00 0.31 H new ATOM 0 HA ILE A 43 -3.104 3.214 -2.432 1.00 0.30 H new ATOM 0 HB ILE A 43 -2.054 2.988 -0.404 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -1.278 1.558 -2.189 1.00 0.36 H new ATOM 0 HG13 ILE A 43 -0.898 0.950 -0.591 1.00 0.36 H new ATOM 0 HG21 ILE A 43 -2.558 1.153 1.239 1.00 0.34 H new ATOM 0 HG22 ILE A 43 -3.828 2.396 1.137 1.00 0.34 H new ATOM 0 HG23 ILE A 43 -4.057 0.822 0.339 1.00 0.34 H new ATOM 0 HD11 ILE A 43 -1.516 -0.871 -2.097 1.00 0.78 H new ATOM 0 HD12 ILE A 43 -2.707 -0.724 -0.783 1.00 0.78 H new ATOM 0 HD13 ILE A 43 -3.093 -0.106 -2.406 1.00 0.78 H new ATOM 659 N THR A 44 -4.656 1.798 -3.673 1.00 0.32 N ATOM 660 CA THR A 44 -5.405 0.844 -4.485 1.00 0.33 C ATOM 661 C THR A 44 -4.559 -0.399 -4.695 1.00 0.27 C ATOM 662 O THR A 44 -3.390 -0.285 -5.056 1.00 0.32 O ATOM 663 CB THR A 44 -5.791 1.462 -5.835 1.00 0.45 C ATOM 664 OG1 THR A 44 -6.533 2.625 -5.586 1.00 0.55 O ATOM 665 CG2 THR A 44 -6.611 0.523 -6.723 1.00 0.50 C ATOM 0 H THR A 44 -4.117 2.465 -4.226 1.00 0.32 H new ATOM 0 HA THR A 44 -6.325 0.577 -3.966 1.00 0.33 H new ATOM 0 HB THR A 44 -4.869 1.674 -6.376 1.00 0.45 H new ATOM 0 HG1 THR A 44 -6.789 3.038 -6.437 1.00 0.55 H new ATOM 0 HG21 THR A 44 -6.849 1.025 -7.661 1.00 0.50 H new ATOM 0 HG22 THR A 44 -6.034 -0.378 -6.930 1.00 0.50 H new ATOM 0 HG23 THR A 44 -7.535 0.253 -6.212 1.00 0.50 H new ATOM 673 N VAL A 45 -5.171 -1.562 -4.493 1.00 0.26 N ATOM 674 CA VAL A 45 -4.648 -2.878 -4.795 1.00 0.29 C ATOM 675 C VAL A 45 -5.650 -3.513 -5.755 1.00 0.34 C ATOM 676 O VAL A 45 -6.863 -3.323 -5.625 1.00 0.37 O ATOM 677 CB VAL A 45 -4.509 -3.658 -3.472 1.00 0.35 C ATOM 678 CG1 VAL A 45 -4.804 -5.159 -3.561 1.00 0.56 C ATOM 679 CG2 VAL A 45 -3.097 -3.473 -2.919 1.00 0.70 C ATOM 0 H VAL A 45 -6.106 -1.606 -4.087 1.00 0.26 H new ATOM 0 HA VAL A 45 -3.662 -2.864 -5.260 1.00 0.29 H new ATOM 0 HB VAL A 45 -5.271 -3.239 -2.814 1.00 0.35 H new ATOM 0 HG11 VAL A 45 -4.678 -5.614 -2.578 1.00 0.56 H new ATOM 0 HG12 VAL A 45 -5.829 -5.309 -3.901 1.00 0.56 H new ATOM 0 HG13 VAL A 45 -4.116 -5.624 -4.267 1.00 0.56 H new ATOM 0 HG21 VAL A 45 -2.997 -4.024 -1.984 1.00 0.70 H new ATOM 0 HG22 VAL A 45 -2.372 -3.849 -3.640 1.00 0.70 H new ATOM 0 HG23 VAL A 45 -2.913 -2.414 -2.738 1.00 0.70 H new ATOM 689 N THR A 46 -5.163 -4.237 -6.758 1.00 0.41 N ATOM 690 CA THR A 46 -5.983 -4.953 -7.708 1.00 0.53 C ATOM 691 C THR A 46 -5.227 -6.180 -8.123 1.00 0.56 C ATOM 692 O THR A 46 -4.040 -6.119 -8.408 1.00 0.78 O ATOM 693 CB THR A 46 -6.303 -4.061 -8.911 1.00 0.62 C ATOM 694 OG1 THR A 46 -7.199 -3.106 -8.424 1.00 0.68 O ATOM 695 CG2 THR A 46 -6.962 -4.802 -10.077 1.00 0.74 C ATOM 0 H THR A 46 -4.163 -4.340 -6.930 1.00 0.41 H new ATOM 0 HA THR A 46 -6.935 -5.240 -7.261 1.00 0.53 H new ATOM 0 HB THR A 46 -5.376 -3.650 -9.311 1.00 0.62 H new ATOM 0 HG1 THR A 46 -7.273 -3.194 -7.451 1.00 0.68 H new ATOM 0 HG21 THR A 46 -7.157 -4.102 -10.889 1.00 0.74 H new ATOM 0 HG22 THR A 46 -6.297 -5.591 -10.429 1.00 0.74 H new ATOM 0 HG23 THR A 46 -7.902 -5.242 -9.744 1.00 0.74 H new ATOM 703 N GLY A 47 -5.911 -7.303 -8.169 1.00 0.51 N ATOM 704 CA GLY A 47 -5.318 -8.514 -8.674 1.00 0.50 C ATOM 705 C GLY A 47 -6.108 -9.665 -8.073 1.00 0.50 C ATOM 706 O GLY A 47 -7.194 -9.961 -8.560 1.00 0.56 O ATOM 0 H GLY A 47 -6.879 -7.399 -7.862 1.00 0.51 H new ATOM 0 HA2 GLY A 47 -5.360 -8.542 -9.763 1.00 0.50 H new ATOM 0 HA3 GLY A 47 -4.267 -8.577 -8.394 1.00 0.50 H new ATOM 710 N GLU A 48 -5.599 -10.231 -6.972 1.00 0.51 N ATOM 711 CA GLU A 48 -6.309 -11.188 -6.127 1.00 0.56 C ATOM 712 C GLU A 48 -5.639 -11.241 -4.737 1.00 0.65 C ATOM 713 O GLU A 48 -5.340 -12.317 -4.223 1.00 0.89 O ATOM 714 CB GLU A 48 -6.399 -12.559 -6.834 1.00 0.68 C ATOM 715 CG GLU A 48 -7.581 -13.431 -6.358 1.00 0.80 C ATOM 716 CD GLU A 48 -8.810 -13.398 -7.270 1.00 2.43 C ATOM 717 OE1 GLU A 48 -9.080 -12.364 -7.920 1.00 4.12 O ATOM 718 OE2 GLU A 48 -9.557 -14.405 -7.302 1.00 2.89 O ATOM 0 H GLU A 48 -4.657 -10.028 -6.639 1.00 0.51 H new ATOM 0 HA GLU A 48 -7.339 -10.870 -5.965 1.00 0.56 H new ATOM 0 HB2 GLU A 48 -6.488 -12.398 -7.908 1.00 0.68 H new ATOM 0 HB3 GLU A 48 -5.469 -13.103 -6.670 1.00 0.68 H new ATOM 0 HG2 GLU A 48 -7.240 -14.462 -6.268 1.00 0.80 H new ATOM 0 HG3 GLU A 48 -7.877 -13.105 -5.361 1.00 0.80 H new ATOM 725 N ALA A 49 -5.393 -10.074 -4.116 1.00 0.51 N ATOM 726 CA ALA A 49 -4.816 -9.970 -2.774 1.00 0.56 C ATOM 727 C ALA A 49 -5.364 -8.743 -2.029 1.00 0.36 C ATOM 728 O ALA A 49 -6.094 -7.946 -2.614 1.00 0.33 O ATOM 729 CB ALA A 49 -3.287 -9.924 -2.877 1.00 0.73 C ATOM 0 H ALA A 49 -5.593 -9.169 -4.541 1.00 0.51 H new ATOM 0 HA ALA A 49 -5.102 -10.849 -2.196 1.00 0.56 H new ATOM 0 HB1 ALA A 49 -2.857 -9.847 -1.878 1.00 0.73 H new ATOM 0 HB2 ALA A 49 -2.927 -10.834 -3.357 1.00 0.73 H new ATOM 0 HB3 ALA A 49 -2.988 -9.059 -3.469 1.00 0.73 H new ATOM 735 N SER A 50 -5.003 -8.600 -0.746 1.00 0.36 N ATOM 736 CA SER A 50 -5.494 -7.574 0.175 1.00 0.37 C ATOM 737 C SER A 50 -4.347 -6.784 0.797 1.00 0.32 C ATOM 738 O SER A 50 -3.186 -7.183 0.688 1.00 0.33 O ATOM 739 CB SER A 50 -6.277 -8.250 1.305 1.00 0.50 C ATOM 740 OG SER A 50 -7.542 -8.654 0.829 1.00 0.78 O ATOM 0 H SER A 50 -4.330 -9.227 -0.305 1.00 0.36 H new ATOM 0 HA SER A 50 -6.126 -6.889 -0.391 1.00 0.37 H new ATOM 0 HB2 SER A 50 -5.725 -9.113 1.678 1.00 0.50 H new ATOM 0 HB3 SER A 50 -6.395 -7.561 2.142 1.00 0.50 H new ATOM 0 HG SER A 50 -8.041 -9.088 1.553 1.00 0.78 H new ATOM 746 N ILE A 51 -4.685 -5.692 1.505 1.00 0.33 N ATOM 747 CA ILE A 51 -3.703 -4.814 2.100 1.00 0.35 C ATOM 748 C ILE A 51 -2.705 -5.566 2.958 1.00 0.35 C ATOM 749 O ILE A 51 -1.550 -5.195 2.930 1.00 0.40 O ATOM 750 CB ILE A 51 -4.339 -3.652 2.888 1.00 0.39 C ATOM 751 CG1 ILE A 51 -3.334 -2.513 3.000 1.00 0.47 C ATOM 752 CG2 ILE A 51 -4.770 -4.047 4.309 1.00 0.45 C ATOM 753 CD1 ILE A 51 -3.169 -1.733 1.694 1.00 1.77 C ATOM 0 H ILE A 51 -5.650 -5.407 1.672 1.00 0.33 H new ATOM 0 HA ILE A 51 -3.158 -4.375 1.264 1.00 0.35 H new ATOM 0 HB ILE A 51 -5.232 -3.355 2.339 1.00 0.39 H new ATOM 0 HG12 ILE A 51 -3.653 -1.830 3.787 1.00 0.47 H new ATOM 0 HG13 ILE A 51 -2.367 -2.917 3.301 1.00 0.47 H new ATOM 0 HG21 ILE A 51 -5.210 -3.184 4.809 1.00 0.45 H new ATOM 0 HG22 ILE A 51 -5.506 -4.850 4.256 1.00 0.45 H new ATOM 0 HG23 ILE A 51 -3.901 -4.388 4.871 1.00 0.45 H new ATOM 0 HD11 ILE A 51 -2.441 -0.935 1.836 1.00 1.77 H new ATOM 0 HD12 ILE A 51 -2.822 -2.406 0.910 1.00 1.77 H new ATOM 0 HD13 ILE A 51 -4.127 -1.302 1.404 1.00 1.77 H new ATOM 765 N GLN A 52 -3.121 -6.597 3.699 1.00 0.35 N ATOM 766 CA GLN A 52 -2.268 -7.399 4.575 1.00 0.38 C ATOM 767 C GLN A 52 -0.832 -7.510 4.049 1.00 0.35 C ATOM 768 O GLN A 52 0.122 -7.187 4.752 1.00 0.43 O ATOM 769 CB GLN A 52 -2.895 -8.793 4.703 1.00 0.41 C ATOM 770 CG GLN A 52 -4.193 -8.768 5.527 1.00 0.54 C ATOM 771 CD GLN A 52 -5.079 -9.985 5.272 1.00 2.06 C ATOM 772 OE1 GLN A 52 -4.833 -10.776 4.368 1.00 3.24 O ATOM 773 NE2 GLN A 52 -6.147 -10.132 6.050 1.00 2.98 N ATOM 0 H GLN A 52 -4.093 -6.905 3.704 1.00 0.35 H new ATOM 0 HA GLN A 52 -2.205 -6.909 5.547 1.00 0.38 H new ATOM 0 HB2 GLN A 52 -3.104 -9.189 3.709 1.00 0.41 H new ATOM 0 HB3 GLN A 52 -2.181 -9.470 5.172 1.00 0.41 H new ATOM 0 HG2 GLN A 52 -3.944 -8.721 6.587 1.00 0.54 H new ATOM 0 HG3 GLN A 52 -4.751 -7.862 5.290 1.00 0.54 H new ATOM 0 HE21 GLN A 52 -6.331 -9.461 6.796 1.00 2.98 H new ATOM 0 HE22 GLN A 52 -6.782 -10.916 5.901 1.00 2.98 H new ATOM 782 N GLN A 53 -0.688 -7.923 2.787 1.00 0.28 N ATOM 783 CA GLN A 53 0.615 -8.049 2.134 1.00 0.32 C ATOM 784 C GLN A 53 1.371 -6.706 2.108 1.00 0.30 C ATOM 785 O GLN A 53 2.539 -6.596 2.478 1.00 0.31 O ATOM 786 CB GLN A 53 0.388 -8.547 0.705 1.00 0.44 C ATOM 787 CG GLN A 53 -0.349 -9.897 0.639 1.00 0.62 C ATOM 788 CD GLN A 53 0.537 -11.049 0.173 1.00 0.89 C ATOM 789 OE1 GLN A 53 1.749 -11.044 0.361 1.00 2.25 O ATOM 790 NE2 GLN A 53 -0.068 -12.056 -0.447 1.00 0.95 N ATOM 0 H GLN A 53 -1.474 -8.180 2.189 1.00 0.28 H new ATOM 0 HA GLN A 53 1.227 -8.754 2.697 1.00 0.32 H new ATOM 0 HB2 GLN A 53 -0.185 -7.801 0.155 1.00 0.44 H new ATOM 0 HB3 GLN A 53 1.351 -8.642 0.204 1.00 0.44 H new ATOM 0 HG2 GLN A 53 -0.750 -10.132 1.625 1.00 0.62 H new ATOM 0 HG3 GLN A 53 -1.199 -9.806 -0.037 1.00 0.62 H new ATOM 0 HE21 GLN A 53 -1.078 -12.034 -0.590 1.00 0.95 H new ATOM 0 HE22 GLN A 53 0.477 -12.851 -0.780 1.00 0.95 H new ATOM 799 N VAL A 54 0.680 -5.670 1.639 1.00 0.31 N ATOM 800 CA VAL A 54 1.168 -4.308 1.510 1.00 0.36 C ATOM 801 C VAL A 54 1.538 -3.739 2.886 1.00 0.43 C ATOM 802 O VAL A 54 2.590 -3.127 3.051 1.00 0.48 O ATOM 803 CB VAL A 54 0.086 -3.478 0.788 1.00 0.37 C ATOM 804 CG1 VAL A 54 0.516 -2.027 0.615 1.00 0.38 C ATOM 805 CG2 VAL A 54 -0.272 -4.118 -0.556 1.00 0.42 C ATOM 0 H VAL A 54 -0.285 -5.768 1.324 1.00 0.31 H new ATOM 0 HA VAL A 54 2.081 -4.275 0.916 1.00 0.36 H new ATOM 0 HB VAL A 54 -0.808 -3.474 1.412 1.00 0.37 H new ATOM 0 HG11 VAL A 54 -0.271 -1.473 0.103 1.00 0.38 H new ATOM 0 HG12 VAL A 54 0.695 -1.582 1.594 1.00 0.38 H new ATOM 0 HG13 VAL A 54 1.431 -1.987 0.025 1.00 0.38 H new ATOM 0 HG21 VAL A 54 -1.036 -3.520 -1.052 1.00 0.42 H new ATOM 0 HG22 VAL A 54 0.617 -4.165 -1.185 1.00 0.42 H new ATOM 0 HG23 VAL A 54 -0.652 -5.126 -0.389 1.00 0.42 H new ATOM 815 N GLU A 55 0.677 -3.954 3.881 1.00 0.51 N ATOM 816 CA GLU A 55 0.842 -3.508 5.245 1.00 0.63 C ATOM 817 C GLU A 55 2.073 -4.179 5.856 1.00 0.44 C ATOM 818 O GLU A 55 2.910 -3.506 6.455 1.00 0.37 O ATOM 819 CB GLU A 55 -0.450 -3.788 6.026 1.00 0.90 C ATOM 820 CG GLU A 55 -0.575 -2.830 7.216 1.00 1.19 C ATOM 821 CD GLU A 55 -2.005 -2.730 7.731 1.00 2.48 C ATOM 822 OE1 GLU A 55 -2.727 -3.741 7.601 1.00 3.04 O ATOM 823 OE2 GLU A 55 -2.352 -1.629 8.216 1.00 3.55 O ATOM 0 H GLU A 55 -0.192 -4.469 3.740 1.00 0.51 H new ATOM 0 HA GLU A 55 1.016 -2.433 5.287 1.00 0.63 H new ATOM 0 HB2 GLU A 55 -1.312 -3.675 5.368 1.00 0.90 H new ATOM 0 HB3 GLU A 55 -0.452 -4.819 6.380 1.00 0.90 H new ATOM 0 HG2 GLU A 55 0.076 -3.169 8.022 1.00 1.19 H new ATOM 0 HG3 GLU A 55 -0.228 -1.840 6.920 1.00 1.19 H new ATOM 830 N GLN A 56 2.221 -5.494 5.643 1.00 0.43 N ATOM 831 CA GLN A 56 3.413 -6.231 6.013 1.00 0.40 C ATOM 832 C GLN A 56 4.643 -5.518 5.446 1.00 0.32 C ATOM 833 O GLN A 56 5.573 -5.210 6.186 1.00 0.36 O ATOM 834 CB GLN A 56 3.296 -7.677 5.507 1.00 0.48 C ATOM 835 CG GLN A 56 4.289 -8.622 6.183 1.00 0.57 C ATOM 836 CD GLN A 56 3.911 -8.977 7.621 1.00 2.43 C ATOM 837 OE1 GLN A 56 2.875 -8.567 8.134 1.00 4.11 O ATOM 838 NE2 GLN A 56 4.747 -9.764 8.290 1.00 2.85 N ATOM 0 H GLN A 56 1.504 -6.071 5.204 1.00 0.43 H new ATOM 0 HA GLN A 56 3.521 -6.269 7.097 1.00 0.40 H new ATOM 0 HB2 GLN A 56 2.282 -8.037 5.681 1.00 0.48 H new ATOM 0 HB3 GLN A 56 3.460 -7.695 4.430 1.00 0.48 H new ATOM 0 HG2 GLN A 56 4.362 -9.539 5.598 1.00 0.57 H new ATOM 0 HG3 GLN A 56 5.277 -8.162 6.179 1.00 0.57 H new ATOM 0 HE21 GLN A 56 5.603 -10.094 7.845 1.00 2.85 H new ATOM 0 HE22 GLN A 56 4.532 -10.038 9.249 1.00 2.85 H new ATOM 847 N ALA A 57 4.639 -5.202 4.147 1.00 0.29 N ATOM 848 CA ALA A 57 5.694 -4.403 3.541 1.00 0.30 C ATOM 849 C ALA A 57 5.890 -3.086 4.313 1.00 0.29 C ATOM 850 O ALA A 57 7.008 -2.735 4.693 1.00 0.33 O ATOM 851 CB ALA A 57 5.381 -4.172 2.055 1.00 0.38 C ATOM 0 H ALA A 57 3.909 -5.492 3.496 1.00 0.29 H new ATOM 0 HA ALA A 57 6.639 -4.942 3.599 1.00 0.30 H new ATOM 0 HB1 ALA A 57 6.173 -3.573 1.605 1.00 0.38 H new ATOM 0 HB2 ALA A 57 5.316 -5.132 1.543 1.00 0.38 H new ATOM 0 HB3 ALA A 57 4.431 -3.646 1.961 1.00 0.38 H new ATOM 857 N GLY A 58 4.790 -2.379 4.581 1.00 0.28 N ATOM 858 CA GLY A 58 4.742 -1.119 5.308 1.00 0.31 C ATOM 859 C GLY A 58 5.301 -1.200 6.727 1.00 0.28 C ATOM 860 O GLY A 58 5.520 -0.161 7.354 1.00 0.28 O ATOM 0 H GLY A 58 3.866 -2.689 4.280 1.00 0.28 H new ATOM 0 HA2 GLY A 58 5.301 -0.368 4.750 1.00 0.31 H new ATOM 0 HA3 GLY A 58 3.708 -0.777 5.355 1.00 0.31 H new ATOM 864 N ALA A 59 5.594 -2.405 7.230 1.00 0.32 N ATOM 865 CA ALA A 59 6.393 -2.580 8.430 1.00 0.35 C ATOM 866 C ALA A 59 7.650 -1.707 8.399 1.00 0.39 C ATOM 867 O ALA A 59 8.092 -1.283 9.459 1.00 0.47 O ATOM 868 CB ALA A 59 6.767 -4.049 8.628 1.00 0.44 C ATOM 0 H ALA A 59 5.280 -3.280 6.811 1.00 0.32 H new ATOM 0 HA ALA A 59 5.784 -2.261 9.276 1.00 0.35 H new ATOM 0 HB1 ALA A 59 7.365 -4.153 9.533 1.00 0.44 H new ATOM 0 HB2 ALA A 59 5.860 -4.646 8.722 1.00 0.44 H new ATOM 0 HB3 ALA A 59 7.343 -4.397 7.770 1.00 0.44 H new ATOM 874 N PHE A 60 8.204 -1.393 7.217 1.00 0.38 N ATOM 875 CA PHE A 60 9.349 -0.486 7.134 1.00 0.43 C ATOM 876 C PHE A 60 9.134 0.844 7.874 1.00 0.42 C ATOM 877 O PHE A 60 10.094 1.373 8.426 1.00 0.49 O ATOM 878 CB PHE A 60 9.820 -0.281 5.685 1.00 0.47 C ATOM 879 CG PHE A 60 8.875 0.439 4.734 1.00 0.42 C ATOM 880 CD1 PHE A 60 8.678 1.828 4.845 1.00 1.95 C ATOM 881 CD2 PHE A 60 8.309 -0.245 3.644 1.00 1.84 C ATOM 882 CE1 PHE A 60 7.806 2.496 3.969 1.00 1.93 C ATOM 883 CE2 PHE A 60 7.479 0.433 2.735 1.00 1.90 C ATOM 884 CZ PHE A 60 7.210 1.801 2.905 1.00 0.58 C ATOM 0 H PHE A 60 7.879 -1.751 6.319 1.00 0.38 H new ATOM 0 HA PHE A 60 10.160 -0.984 7.666 1.00 0.43 H new ATOM 0 HB2 PHE A 60 10.758 0.274 5.712 1.00 0.47 H new ATOM 0 HB3 PHE A 60 10.041 -1.261 5.262 1.00 0.47 H new ATOM 0 HD1 PHE A 60 9.201 2.384 5.609 1.00 1.95 H new ATOM 0 HD2 PHE A 60 8.513 -1.296 3.505 1.00 1.84 H new ATOM 0 HE1 PHE A 60 7.594 3.545 4.114 1.00 1.93 H new ATOM 0 HE2 PHE A 60 7.046 -0.100 1.902 1.00 1.90 H new ATOM 0 HZ PHE A 60 6.549 2.314 2.222 1.00 0.58 H new ATOM 894 N GLU A 61 7.907 1.383 7.869 1.00 0.38 N ATOM 895 CA GLU A 61 7.544 2.622 8.562 1.00 0.39 C ATOM 896 C GLU A 61 6.413 2.388 9.579 1.00 0.36 C ATOM 897 O GLU A 61 5.932 3.339 10.188 1.00 0.55 O ATOM 898 CB GLU A 61 7.176 3.695 7.520 1.00 0.44 C ATOM 899 CG GLU A 61 8.371 4.558 7.088 1.00 1.02 C ATOM 900 CD GLU A 61 8.459 5.845 7.900 1.00 1.18 C ATOM 901 OE1 GLU A 61 7.628 6.738 7.627 1.00 1.97 O ATOM 902 OE2 GLU A 61 9.356 5.909 8.767 1.00 2.47 O ATOM 0 H GLU A 61 7.124 0.959 7.372 1.00 0.38 H new ATOM 0 HA GLU A 61 8.399 2.976 9.137 1.00 0.39 H new ATOM 0 HB2 GLU A 61 6.752 3.208 6.642 1.00 0.44 H new ATOM 0 HB3 GLU A 61 6.401 4.341 7.932 1.00 0.44 H new ATOM 0 HG2 GLU A 61 9.293 3.989 7.207 1.00 1.02 H new ATOM 0 HG3 GLU A 61 8.281 4.801 6.029 1.00 1.02 H new ATOM 909 N HIS A 62 5.986 1.134 9.775 1.00 0.33 N ATOM 910 CA HIS A 62 4.926 0.754 10.705 1.00 0.35 C ATOM 911 C HIS A 62 3.624 1.467 10.336 1.00 0.33 C ATOM 912 O HIS A 62 2.994 2.115 11.172 1.00 0.36 O ATOM 913 CB HIS A 62 5.331 1.011 12.170 1.00 0.39 C ATOM 914 CG HIS A 62 6.557 0.275 12.655 1.00 0.45 C ATOM 915 ND1 HIS A 62 7.278 -0.676 11.971 1.00 0.45 N ATOM 916 CD2 HIS A 62 7.125 0.402 13.894 1.00 0.84 C ATOM 917 CE1 HIS A 62 8.255 -1.111 12.782 1.00 0.79 C ATOM 918 NE2 HIS A 62 8.201 -0.487 13.970 1.00 1.07 N ATOM 0 H HIS A 62 6.382 0.338 9.275 1.00 0.33 H new ATOM 0 HA HIS A 62 4.761 -0.320 10.618 1.00 0.35 H new ATOM 0 HB2 HIS A 62 5.499 2.080 12.298 1.00 0.39 H new ATOM 0 HB3 HIS A 62 4.492 0.741 12.811 1.00 0.39 H new ATOM 0 HD1 HIS A 62 7.102 -0.994 11.018 1.00 0.45 H new ATOM 0 HD2 HIS A 62 6.799 1.072 14.676 1.00 0.84 H new ATOM 0 HE1 HIS A 62 8.985 -1.861 12.515 1.00 0.79 H new ATOM 926 N LEU A 63 3.215 1.347 9.070 1.00 0.39 N ATOM 927 CA LEU A 63 1.985 1.979 8.610 1.00 0.42 C ATOM 928 C LEU A 63 0.772 1.346 9.290 1.00 0.45 C ATOM 929 O LEU A 63 0.838 0.204 9.740 1.00 0.60 O ATOM 930 CB LEU A 63 1.873 1.850 7.088 1.00 0.59 C ATOM 931 CG LEU A 63 2.680 2.919 6.346 1.00 0.51 C ATOM 932 CD1 LEU A 63 4.104 3.132 6.854 1.00 2.11 C ATOM 933 CD2 LEU A 63 2.757 2.541 4.867 1.00 2.18 C ATOM 0 H LEU A 63 3.716 0.821 8.354 1.00 0.39 H new ATOM 0 HA LEU A 63 2.011 3.036 8.874 1.00 0.42 H new ATOM 0 HB2 LEU A 63 2.220 0.862 6.784 1.00 0.59 H new ATOM 0 HB3 LEU A 63 0.825 1.924 6.797 1.00 0.59 H new ATOM 0 HG LEU A 63 2.150 3.855 6.521 1.00 0.51 H new ATOM 0 HD11 LEU A 63 4.589 3.908 6.262 1.00 2.11 H new ATOM 0 HD12 LEU A 63 4.075 3.437 7.900 1.00 2.11 H new ATOM 0 HD13 LEU A 63 4.666 2.202 6.763 1.00 2.11 H new ATOM 0 HD21 LEU A 63 3.330 3.296 4.328 1.00 2.18 H new ATOM 0 HD22 LEU A 63 3.246 1.572 4.764 1.00 2.18 H new ATOM 0 HD23 LEU A 63 1.750 2.485 4.453 1.00 2.18 H new ATOM 945 N LYS A 64 -0.339 2.087 9.326 1.00 0.44 N ATOM 946 CA LYS A 64 -1.641 1.553 9.685 1.00 0.48 C ATOM 947 C LYS A 64 -2.621 1.937 8.582 1.00 0.49 C ATOM 948 O LYS A 64 -2.786 3.127 8.289 1.00 1.04 O ATOM 949 CB LYS A 64 -2.070 1.981 11.101 1.00 0.66 C ATOM 950 CG LYS A 64 -1.707 3.392 11.592 1.00 0.95 C ATOM 951 CD LYS A 64 -2.734 4.448 11.158 1.00 1.54 C ATOM 952 CE LYS A 64 -3.010 5.455 12.289 1.00 2.19 C ATOM 953 NZ LYS A 64 -4.235 6.249 12.063 1.00 3.95 N ATOM 0 H LYS A 64 -0.352 3.082 9.104 1.00 0.44 H new ATOM 0 HA LYS A 64 -1.611 0.465 9.747 1.00 0.48 H new ATOM 0 HB2 LYS A 64 -3.154 1.879 11.162 1.00 0.66 H new ATOM 0 HB3 LYS A 64 -1.643 1.267 11.805 1.00 0.66 H new ATOM 0 HG2 LYS A 64 -1.633 3.387 12.679 1.00 0.95 H new ATOM 0 HG3 LYS A 64 -0.725 3.666 11.207 1.00 0.95 H new ATOM 0 HD2 LYS A 64 -2.366 4.977 10.279 1.00 1.54 H new ATOM 0 HD3 LYS A 64 -3.664 3.958 10.869 1.00 1.54 H new ATOM 0 HE2 LYS A 64 -3.100 4.918 13.233 1.00 2.19 H new ATOM 0 HE3 LYS A 64 -2.159 6.129 12.385 1.00 2.19 H new ATOM 0 HZ1 LYS A 64 -4.627 6.551 12.978 1.00 3.95 H new ATOM 0 HZ2 LYS A 64 -4.005 7.087 11.492 1.00 3.95 H new ATOM 0 HZ3 LYS A 64 -4.937 5.669 11.560 1.00 3.95 H new ATOM 967 N ILE A 65 -3.207 0.925 7.934 1.00 0.25 N ATOM 968 CA ILE A 65 -4.120 1.066 6.814 1.00 0.24 C ATOM 969 C ILE A 65 -5.448 0.430 7.207 1.00 0.28 C ATOM 970 O ILE A 65 -5.456 -0.612 7.858 1.00 0.47 O ATOM 971 CB ILE A 65 -3.534 0.409 5.547 1.00 0.26 C ATOM 972 CG1 ILE A 65 -2.042 0.737 5.443 1.00 0.35 C ATOM 973 CG2 ILE A 65 -4.304 0.871 4.305 1.00 0.30 C ATOM 974 CD1 ILE A 65 -1.363 0.466 4.110 1.00 0.49 C ATOM 0 H ILE A 65 -3.047 -0.049 8.191 1.00 0.25 H new ATOM 0 HA ILE A 65 -4.274 2.120 6.581 1.00 0.24 H new ATOM 0 HB ILE A 65 -3.640 -0.674 5.613 1.00 0.26 H new ATOM 0 HG12 ILE A 65 -1.911 1.793 5.681 1.00 0.35 H new ATOM 0 HG13 ILE A 65 -1.517 0.170 6.211 1.00 0.35 H new ATOM 0 HG21 ILE A 65 -3.880 0.400 3.418 1.00 0.30 H new ATOM 0 HG22 ILE A 65 -5.352 0.588 4.401 1.00 0.30 H new ATOM 0 HG23 ILE A 65 -4.228 1.954 4.212 1.00 0.30 H new ATOM 0 HD11 ILE A 65 -0.311 0.743 4.175 1.00 0.49 H new ATOM 0 HD12 ILE A 65 -1.446 -0.594 3.868 1.00 0.49 H new ATOM 0 HD13 ILE A 65 -1.845 1.055 3.330 1.00 0.49 H new ATOM 986 N ILE A 66 -6.573 1.055 6.848 1.00 0.24 N ATOM 987 CA ILE A 66 -7.890 0.565 7.231 1.00 0.28 C ATOM 988 C ILE A 66 -8.755 0.465 5.967 1.00 0.26 C ATOM 989 O ILE A 66 -8.757 1.399 5.157 1.00 0.30 O ATOM 990 CB ILE A 66 -8.501 1.464 8.328 1.00 0.50 C ATOM 991 CG1 ILE A 66 -7.586 1.560 9.569 1.00 0.70 C ATOM 992 CG2 ILE A 66 -9.858 0.908 8.789 1.00 0.67 C ATOM 993 CD1 ILE A 66 -6.714 2.819 9.577 1.00 1.39 C ATOM 0 H ILE A 66 -6.592 1.908 6.288 1.00 0.24 H new ATOM 0 HA ILE A 66 -7.826 -0.431 7.670 1.00 0.28 H new ATOM 0 HB ILE A 66 -8.619 2.454 7.887 1.00 0.50 H new ATOM 0 HG12 ILE A 66 -8.201 1.546 10.469 1.00 0.70 H new ATOM 0 HG13 ILE A 66 -6.944 0.680 9.608 1.00 0.70 H new ATOM 0 HG21 ILE A 66 -10.273 1.555 9.562 1.00 0.67 H new ATOM 0 HG22 ILE A 66 -10.543 0.870 7.942 1.00 0.67 H new ATOM 0 HG23 ILE A 66 -9.722 -0.096 9.191 1.00 0.67 H new ATOM 0 HD11 ILE A 66 -6.095 2.827 10.474 1.00 1.39 H new ATOM 0 HD12 ILE A 66 -6.074 2.824 8.694 1.00 1.39 H new ATOM 0 HD13 ILE A 66 -7.351 3.703 9.568 1.00 1.39 H new ATOM 1005 N PRO A 67 -9.473 -0.657 5.764 1.00 0.35 N ATOM 1006 CA PRO A 67 -10.466 -0.763 4.712 1.00 0.51 C ATOM 1007 C PRO A 67 -11.655 0.130 5.063 1.00 0.58 C ATOM 1008 O PRO A 67 -12.380 -0.163 6.009 1.00 0.84 O ATOM 1009 CB PRO A 67 -10.878 -2.241 4.669 1.00 0.68 C ATOM 1010 CG PRO A 67 -10.607 -2.738 6.087 1.00 0.59 C ATOM 1011 CD PRO A 67 -9.425 -1.886 6.548 1.00 0.46 C ATOM 0 HA PRO A 67 -10.087 -0.443 3.741 1.00 0.51 H new ATOM 0 HB2 PRO A 67 -11.928 -2.356 4.399 1.00 0.68 H new ATOM 0 HB3 PRO A 67 -10.297 -2.797 3.933 1.00 0.68 H new ATOM 0 HG2 PRO A 67 -11.475 -2.602 6.732 1.00 0.59 H new ATOM 0 HG3 PRO A 67 -10.364 -3.801 6.100 1.00 0.59 H new ATOM 0 HD2 PRO A 67 -9.495 -1.670 7.614 1.00 0.46 H new ATOM 0 HD3 PRO A 67 -8.483 -2.411 6.390 1.00 0.46 H new ATOM 1019 N GLU A 68 -11.862 1.196 4.286 1.00 0.60 N ATOM 1020 CA GLU A 68 -13.041 2.055 4.386 1.00 0.73 C ATOM 1021 C GLU A 68 -14.326 1.226 4.485 1.00 1.23 C ATOM 1022 O GLU A 68 -15.172 1.477 5.338 1.00 2.89 O ATOM 1023 CB GLU A 68 -13.114 2.978 3.163 1.00 1.09 C ATOM 1024 CG GLU A 68 -11.924 3.937 3.120 1.00 1.95 C ATOM 1025 CD GLU A 68 -11.987 4.834 1.893 1.00 2.47 C ATOM 1026 OE1 GLU A 68 -11.489 4.395 0.839 1.00 3.24 O ATOM 1027 OE2 GLU A 68 -12.454 5.985 2.057 1.00 2.85 O ATOM 0 H GLU A 68 -11.207 1.489 3.561 1.00 0.60 H new ATOM 0 HA GLU A 68 -12.951 2.652 5.294 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -13.134 2.379 2.253 1.00 1.09 H new ATOM 0 HB3 GLU A 68 -14.043 3.548 3.190 1.00 1.09 H new ATOM 0 HG2 GLU A 68 -11.914 4.549 4.022 1.00 1.95 H new ATOM 0 HG3 GLU A 68 -10.994 3.368 3.111 1.00 1.95 H new ATOM 1034 N LYS A 69 -14.451 0.232 3.598 1.00 1.41 N ATOM 1035 CA LYS A 69 -15.552 -0.721 3.585 1.00 1.88 C ATOM 1036 C LYS A 69 -16.887 -0.005 3.353 1.00 2.45 C ATOM 1037 O LYS A 69 -17.857 -0.229 4.071 1.00 3.60 O ATOM 1038 CB LYS A 69 -15.525 -1.556 4.878 1.00 2.54 C ATOM 1039 CG LYS A 69 -16.222 -2.909 4.700 1.00 3.21 C ATOM 1040 CD LYS A 69 -16.274 -3.639 6.051 1.00 4.18 C ATOM 1041 CE LYS A 69 -16.386 -5.159 5.882 1.00 5.16 C ATOM 1042 NZ LYS A 69 -17.559 -5.550 5.071 1.00 5.17 N ATOM 0 H LYS A 69 -13.771 0.070 2.855 1.00 1.41 H new ATOM 0 HA LYS A 69 -15.435 -1.413 2.751 1.00 1.88 H new ATOM 0 HB2 LYS A 69 -14.491 -1.718 5.184 1.00 2.54 H new ATOM 0 HB3 LYS A 69 -16.011 -1.000 5.679 1.00 2.54 H new ATOM 0 HG2 LYS A 69 -17.231 -2.763 4.314 1.00 3.21 H new ATOM 0 HG3 LYS A 69 -15.686 -3.513 3.968 1.00 3.21 H new ATOM 0 HD2 LYS A 69 -15.377 -3.404 6.624 1.00 4.18 H new ATOM 0 HD3 LYS A 69 -17.125 -3.275 6.627 1.00 4.18 H new ATOM 0 HE2 LYS A 69 -15.479 -5.537 5.411 1.00 5.16 H new ATOM 0 HE3 LYS A 69 -16.454 -5.627 6.864 1.00 5.16 H new ATOM 0 HZ1 LYS A 69 -17.650 -6.586 5.069 1.00 5.17 H new ATOM 0 HZ2 LYS A 69 -18.418 -5.127 5.477 1.00 5.17 H new ATOM 0 HZ3 LYS A 69 -17.435 -5.212 4.095 1.00 5.17 H new ATOM 1056 N GLU A 70 -16.929 0.841 2.320 1.00 2.96 N ATOM 1057 CA GLU A 70 -18.091 1.643 1.969 1.00 4.00 C ATOM 1058 C GLU A 70 -19.163 0.757 1.308 1.00 4.88 C ATOM 1059 O GLU A 70 -19.415 0.867 0.108 1.00 5.78 O ATOM 1060 CB GLU A 70 -17.614 2.796 1.064 1.00 4.94 C ATOM 1061 CG GLU A 70 -18.615 3.958 0.970 1.00 5.89 C ATOM 1062 CD GLU A 70 -18.716 4.765 2.262 1.00 6.60 C ATOM 1063 OE1 GLU A 70 -17.647 5.046 2.844 1.00 7.22 O ATOM 1064 OE2 GLU A 70 -19.861 5.098 2.633 1.00 7.22 O ATOM 0 H GLU A 70 -16.136 0.986 1.695 1.00 2.96 H new ATOM 0 HA GLU A 70 -18.561 2.075 2.853 1.00 4.00 H new ATOM 0 HB2 GLU A 70 -16.665 3.175 1.442 1.00 4.94 H new ATOM 0 HB3 GLU A 70 -17.426 2.407 0.063 1.00 4.94 H new ATOM 0 HG2 GLU A 70 -18.319 4.620 0.157 1.00 5.89 H new ATOM 0 HG3 GLU A 70 -19.599 3.563 0.717 1.00 5.89 H new ATOM 1071 N ALA A 71 -19.777 -0.148 2.077 1.00 5.46 N ATOM 1072 CA ALA A 71 -20.858 -1.020 1.645 1.00 6.81 C ATOM 1073 C ALA A 71 -21.496 -1.631 2.892 1.00 7.42 C ATOM 1074 O ALA A 71 -20.774 -1.704 3.914 1.00 7.42 O ATOM 1075 CB ALA A 71 -20.327 -2.134 0.739 1.00 7.80 C ATOM 1076 OXT ALA A 71 -22.671 -2.047 2.792 1.00 8.41 O ATOM 0 H ALA A 71 -19.520 -0.294 3.053 1.00 5.46 H new ATOM 0 HA ALA A 71 -21.590 -0.445 1.078 1.00 6.81 H new ATOM 0 HB1 ALA A 71 -21.152 -2.774 0.428 1.00 7.80 H new ATOM 0 HB2 ALA A 71 -19.857 -1.694 -0.141 1.00 7.80 H new ATOM 0 HB3 ALA A 71 -19.593 -2.728 1.284 1.00 7.80 H new TER 1082 ALA A 71