USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=17 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 Set 1.1: A 14 CYS SG : rot 180:sc= -0.109 USER MOD Set 1.2: A 17 CYS SG : rot -172:sc= 1.26 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= 1.21 (180deg=-0.429) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0342 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.125 USER MOD Single : A 13 SER OG : rot 49:sc= 0.413 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0273 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 20 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0477) USER MOD Single : A 24 ASN :FLIP amide:sc= -1.4 F(o=-2.7!,f=-1.4) USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.12) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 41 SER OG : rot 31:sc= 1.19 USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= 1.07 (180deg=0.434) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0203 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0582 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 53 GLN : amide:sc= 0.446 K(o=0.45,f=-5.2!) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 62 HIS : no HE2:sc= 0.274 K(o=0.27,f=-2.9!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.225 -6.525 -7.469 1.00 8.28 N ATOM 2 CA MET A 1 -17.814 -7.911 -7.744 1.00 6.66 C ATOM 3 C MET A 1 -16.687 -7.918 -8.780 1.00 5.78 C ATOM 4 O MET A 1 -16.897 -8.258 -9.938 1.00 6.35 O ATOM 5 CB MET A 1 -19.023 -8.799 -8.111 1.00 7.16 C ATOM 6 CG MET A 1 -19.875 -8.317 -9.301 1.00 7.96 C ATOM 7 SD MET A 1 -20.725 -6.734 -9.078 1.00 9.80 S ATOM 8 CE MET A 1 -21.113 -6.332 -10.795 1.00 10.61 C ATOM 0 H1 MET A 1 -18.632 -6.467 -6.514 1.00 8.28 H new ATOM 0 H2 MET A 1 -17.397 -5.899 -7.531 1.00 8.28 H new ATOM 0 H3 MET A 1 -18.936 -6.229 -8.167 1.00 8.28 H new ATOM 0 HA MET A 1 -17.408 -8.362 -6.838 1.00 6.66 H new ATOM 0 HB2 MET A 1 -18.659 -9.802 -8.333 1.00 7.16 H new ATOM 0 HB3 MET A 1 -19.668 -8.880 -7.236 1.00 7.16 H new ATOM 0 HG2 MET A 1 -19.230 -8.241 -10.177 1.00 7.96 H new ATOM 0 HG3 MET A 1 -20.622 -9.080 -9.521 1.00 7.96 H new ATOM 0 HE1 MET A 1 -21.641 -5.379 -10.835 1.00 10.61 H new ATOM 0 HE2 MET A 1 -20.189 -6.259 -11.369 1.00 10.61 H new ATOM 0 HE3 MET A 1 -21.743 -7.114 -11.218 1.00 10.61 H new ATOM 20 N ALA A 2 -15.501 -7.470 -8.364 1.00 5.00 N ATOM 21 CA ALA A 2 -14.300 -7.443 -9.182 1.00 4.51 C ATOM 22 C ALA A 2 -13.135 -7.227 -8.223 1.00 3.04 C ATOM 23 O ALA A 2 -13.331 -6.632 -7.161 1.00 3.55 O ATOM 24 CB ALA A 2 -14.369 -6.309 -10.210 1.00 6.10 C ATOM 0 H ALA A 2 -15.352 -7.107 -7.422 1.00 5.00 H new ATOM 0 HA ALA A 2 -14.185 -8.371 -9.742 1.00 4.51 H new ATOM 0 HB1 ALA A 2 -13.460 -6.307 -10.811 1.00 6.10 H new ATOM 0 HB2 ALA A 2 -15.233 -6.458 -10.858 1.00 6.10 H new ATOM 0 HB3 ALA A 2 -14.464 -5.354 -9.693 1.00 6.10 H new ATOM 30 N GLU A 3 -11.946 -7.703 -8.579 1.00 1.98 N ATOM 31 CA GLU A 3 -10.829 -7.902 -7.670 1.00 0.97 C ATOM 32 C GLU A 3 -10.020 -6.607 -7.532 1.00 0.86 C ATOM 33 O GLU A 3 -8.794 -6.588 -7.666 1.00 1.38 O ATOM 34 CB GLU A 3 -9.995 -9.091 -8.169 1.00 2.63 C ATOM 35 CG GLU A 3 -10.765 -10.430 -8.206 1.00 3.45 C ATOM 36 CD GLU A 3 -11.957 -10.464 -9.160 1.00 4.12 C ATOM 37 OE1 GLU A 3 -11.868 -9.786 -10.210 1.00 4.65 O ATOM 38 OE2 GLU A 3 -12.979 -11.072 -8.780 1.00 4.71 O ATOM 0 H GLU A 3 -11.729 -7.969 -9.540 1.00 1.98 H new ATOM 0 HA GLU A 3 -11.182 -8.144 -6.667 1.00 0.97 H new ATOM 0 HB2 GLU A 3 -9.627 -8.868 -9.170 1.00 2.63 H new ATOM 0 HB3 GLU A 3 -9.122 -9.204 -7.526 1.00 2.63 H new ATOM 0 HG2 GLU A 3 -10.072 -11.223 -8.487 1.00 3.45 H new ATOM 0 HG3 GLU A 3 -11.118 -10.657 -7.200 1.00 3.45 H new ATOM 45 N LYS A 4 -10.746 -5.523 -7.245 1.00 0.64 N ATOM 46 CA LYS A 4 -10.239 -4.196 -6.958 1.00 0.63 C ATOM 47 C LYS A 4 -10.649 -3.839 -5.536 1.00 0.47 C ATOM 48 O LYS A 4 -11.799 -4.043 -5.146 1.00 0.53 O ATOM 49 CB LYS A 4 -10.781 -3.170 -7.968 1.00 0.98 C ATOM 50 CG LYS A 4 -12.312 -3.200 -8.152 1.00 1.20 C ATOM 51 CD LYS A 4 -12.958 -1.805 -8.095 1.00 2.09 C ATOM 52 CE LYS A 4 -13.016 -1.254 -6.657 1.00 3.27 C ATOM 53 NZ LYS A 4 -13.748 0.032 -6.568 1.00 4.50 N ATOM 0 H LYS A 4 -11.765 -5.560 -7.207 1.00 0.64 H new ATOM 0 HA LYS A 4 -9.153 -4.180 -7.047 1.00 0.63 H new ATOM 0 HB2 LYS A 4 -10.486 -2.171 -7.646 1.00 0.98 H new ATOM 0 HB3 LYS A 4 -10.308 -3.346 -8.934 1.00 0.98 H new ATOM 0 HG2 LYS A 4 -12.547 -3.663 -9.110 1.00 1.20 H new ATOM 0 HG3 LYS A 4 -12.752 -3.829 -7.378 1.00 1.20 H new ATOM 0 HD2 LYS A 4 -12.392 -1.118 -8.724 1.00 2.09 H new ATOM 0 HD3 LYS A 4 -13.967 -1.856 -8.505 1.00 2.09 H new ATOM 0 HE2 LYS A 4 -13.498 -1.987 -6.010 1.00 3.27 H new ATOM 0 HE3 LYS A 4 -12.001 -1.117 -6.283 1.00 3.27 H new ATOM 0 HZ1 LYS A 4 -13.758 0.358 -5.581 1.00 4.50 H new ATOM 0 HZ2 LYS A 4 -13.276 0.742 -7.163 1.00 4.50 H new ATOM 0 HZ3 LYS A 4 -14.725 -0.101 -6.898 1.00 4.50 H new ATOM 67 N THR A 5 -9.736 -3.292 -4.740 1.00 0.38 N ATOM 68 CA THR A 5 -10.069 -2.774 -3.421 1.00 0.36 C ATOM 69 C THR A 5 -9.173 -1.598 -3.172 1.00 0.32 C ATOM 70 O THR A 5 -8.094 -1.519 -3.753 1.00 0.37 O ATOM 71 CB THR A 5 -9.892 -3.847 -2.335 1.00 0.42 C ATOM 72 OG1 THR A 5 -10.765 -4.877 -2.686 1.00 0.53 O ATOM 73 CG2 THR A 5 -10.304 -3.382 -0.932 1.00 0.51 C ATOM 0 H THR A 5 -8.752 -3.196 -4.990 1.00 0.38 H new ATOM 0 HA THR A 5 -11.116 -2.474 -3.384 1.00 0.36 H new ATOM 0 HB THR A 5 -8.838 -4.121 -2.289 1.00 0.42 H new ATOM 0 HG1 THR A 5 -10.699 -5.600 -2.028 1.00 0.53 H new ATOM 0 HG21 THR A 5 -10.151 -4.193 -0.220 1.00 0.51 H new ATOM 0 HG22 THR A 5 -9.698 -2.524 -0.641 1.00 0.51 H new ATOM 0 HG23 THR A 5 -11.356 -3.098 -0.937 1.00 0.51 H new ATOM 81 N VAL A 6 -9.625 -0.687 -2.318 1.00 0.39 N ATOM 82 CA VAL A 6 -8.794 0.375 -1.851 1.00 0.33 C ATOM 83 C VAL A 6 -8.933 0.525 -0.348 1.00 0.35 C ATOM 84 O VAL A 6 -10.003 0.284 0.207 1.00 0.50 O ATOM 85 CB VAL A 6 -9.078 1.629 -2.688 1.00 0.40 C ATOM 86 CG1 VAL A 6 -10.559 1.960 -2.864 1.00 0.54 C ATOM 87 CG2 VAL A 6 -8.361 2.882 -2.179 1.00 0.36 C ATOM 0 H VAL A 6 -10.573 -0.678 -1.942 1.00 0.39 H new ATOM 0 HA VAL A 6 -7.735 0.163 -1.997 1.00 0.33 H new ATOM 0 HB VAL A 6 -8.675 1.351 -3.662 1.00 0.40 H new ATOM 0 HG11 VAL A 6 -10.661 2.861 -3.469 1.00 0.54 H new ATOM 0 HG12 VAL A 6 -11.061 1.130 -3.362 1.00 0.54 H new ATOM 0 HG13 VAL A 6 -11.013 2.125 -1.887 1.00 0.54 H new ATOM 0 HG21 VAL A 6 -8.609 3.728 -2.819 1.00 0.36 H new ATOM 0 HG22 VAL A 6 -8.679 3.094 -1.158 1.00 0.36 H new ATOM 0 HG23 VAL A 6 -7.284 2.717 -2.196 1.00 0.36 H new ATOM 97 N TYR A 7 -7.810 0.834 0.300 1.00 0.27 N ATOM 98 CA TYR A 7 -7.675 0.877 1.741 1.00 0.32 C ATOM 99 C TYR A 7 -7.081 2.239 2.086 1.00 0.33 C ATOM 100 O TYR A 7 -6.225 2.741 1.358 1.00 0.42 O ATOM 101 CB TYR A 7 -6.766 -0.267 2.214 1.00 0.34 C ATOM 102 CG TYR A 7 -7.087 -1.657 1.686 1.00 0.36 C ATOM 103 CD1 TYR A 7 -6.725 -2.022 0.373 1.00 1.80 C ATOM 104 CD2 TYR A 7 -7.579 -2.642 2.562 1.00 1.66 C ATOM 105 CE1 TYR A 7 -6.944 -3.333 -0.085 1.00 1.86 C ATOM 106 CE2 TYR A 7 -7.785 -3.957 2.108 1.00 1.62 C ATOM 107 CZ TYR A 7 -7.496 -4.294 0.778 1.00 0.47 C ATOM 108 OH TYR A 7 -7.672 -5.580 0.357 1.00 0.58 O ATOM 0 H TYR A 7 -6.945 1.068 -0.188 1.00 0.27 H new ATOM 0 HA TYR A 7 -8.636 0.749 2.240 1.00 0.32 H new ATOM 0 HB2 TYR A 7 -5.741 -0.025 1.934 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -6.800 -0.300 3.303 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -6.277 -1.291 -0.284 1.00 1.80 H new ATOM 0 HD2 TYR A 7 -7.800 -2.387 3.588 1.00 1.66 H new ATOM 0 HE1 TYR A 7 -6.688 -3.601 -1.099 1.00 1.86 H new ATOM 0 HE2 TYR A 7 -8.166 -4.708 2.784 1.00 1.62 H new ATOM 0 HH TYR A 7 -8.064 -6.111 1.082 1.00 0.58 H new ATOM 118 N ARG A 8 -7.544 2.866 3.161 1.00 0.25 N ATOM 119 CA ARG A 8 -7.101 4.181 3.568 1.00 0.25 C ATOM 120 C ARG A 8 -5.826 4.008 4.394 1.00 0.20 C ATOM 121 O ARG A 8 -5.837 3.224 5.342 1.00 0.28 O ATOM 122 CB ARG A 8 -8.239 4.821 4.371 1.00 0.43 C ATOM 123 CG ARG A 8 -8.203 6.338 4.231 1.00 1.16 C ATOM 124 CD ARG A 8 -9.325 6.960 5.072 1.00 1.34 C ATOM 125 NE ARG A 8 -9.140 8.407 5.253 1.00 2.43 N ATOM 126 CZ ARG A 8 -8.190 8.962 6.029 1.00 3.89 C ATOM 127 NH1 ARG A 8 -7.345 8.182 6.705 1.00 4.73 N ATOM 128 NH2 ARG A 8 -8.089 10.290 6.127 1.00 5.16 N ATOM 0 H ARG A 8 -8.248 2.463 3.779 1.00 0.25 H new ATOM 0 HA ARG A 8 -6.870 4.832 2.725 1.00 0.25 H new ATOM 0 HB2 ARG A 8 -9.198 4.440 4.021 1.00 0.43 H new ATOM 0 HB3 ARG A 8 -8.151 4.545 5.422 1.00 0.43 H new ATOM 0 HG2 ARG A 8 -7.236 6.720 4.557 1.00 1.16 H new ATOM 0 HG3 ARG A 8 -8.321 6.619 3.185 1.00 1.16 H new ATOM 0 HD2 ARG A 8 -10.285 6.775 4.590 1.00 1.34 H new ATOM 0 HD3 ARG A 8 -9.359 6.474 6.047 1.00 1.34 H new ATOM 0 HE ARG A 8 -9.774 9.033 4.757 1.00 2.43 H new ATOM 0 HH11 ARG A 8 -7.419 7.167 6.633 1.00 4.73 H new ATOM 0 HH12 ARG A 8 -6.625 8.600 7.293 1.00 4.73 H new ATOM 0 HH21 ARG A 8 -8.734 10.890 5.612 1.00 5.16 H new ATOM 0 HH22 ARG A 8 -7.367 10.704 6.717 1.00 5.16 H new ATOM 142 N VAL A 9 -4.738 4.697 4.032 1.00 0.27 N ATOM 143 CA VAL A 9 -3.452 4.622 4.719 1.00 0.31 C ATOM 144 C VAL A 9 -3.222 5.965 5.401 1.00 0.34 C ATOM 145 O VAL A 9 -3.666 6.986 4.878 1.00 0.46 O ATOM 146 CB VAL A 9 -2.322 4.233 3.739 1.00 0.36 C ATOM 147 CG1 VAL A 9 -2.382 4.996 2.408 1.00 0.36 C ATOM 148 CG2 VAL A 9 -0.936 4.459 4.345 1.00 0.51 C ATOM 0 H VAL A 9 -4.731 5.335 3.236 1.00 0.27 H new ATOM 0 HA VAL A 9 -3.453 3.838 5.476 1.00 0.31 H new ATOM 0 HB VAL A 9 -2.483 3.172 3.546 1.00 0.36 H new ATOM 0 HG11 VAL A 9 -1.561 4.675 1.767 1.00 0.36 H new ATOM 0 HG12 VAL A 9 -3.331 4.790 1.913 1.00 0.36 H new ATOM 0 HG13 VAL A 9 -2.297 6.066 2.598 1.00 0.36 H new ATOM 0 HG21 VAL A 9 -0.172 4.173 3.622 1.00 0.51 H new ATOM 0 HG22 VAL A 9 -0.818 5.512 4.600 1.00 0.51 H new ATOM 0 HG23 VAL A 9 -0.829 3.854 5.245 1.00 0.51 H new ATOM 158 N ASP A 10 -2.564 5.962 6.567 1.00 0.39 N ATOM 159 CA ASP A 10 -2.358 7.175 7.337 1.00 0.40 C ATOM 160 C ASP A 10 -1.023 7.154 8.066 1.00 0.35 C ATOM 161 O ASP A 10 -0.356 6.119 8.127 1.00 0.54 O ATOM 162 CB ASP A 10 -3.505 7.369 8.340 1.00 0.58 C ATOM 163 CG ASP A 10 -3.971 8.812 8.289 1.00 1.03 C ATOM 164 OD1 ASP A 10 -3.083 9.661 8.528 1.00 2.31 O ATOM 165 OD2 ASP A 10 -5.169 9.030 7.983 1.00 1.94 O ATOM 0 H ASP A 10 -2.167 5.124 6.992 1.00 0.39 H new ATOM 0 HA ASP A 10 -2.345 8.013 6.640 1.00 0.40 H new ATOM 0 HB2 ASP A 10 -4.331 6.699 8.101 1.00 0.58 H new ATOM 0 HB3 ASP A 10 -3.171 7.117 9.347 1.00 0.58 H new ATOM 170 N GLY A 11 -0.679 8.296 8.661 1.00 0.62 N ATOM 171 CA GLY A 11 0.529 8.464 9.454 1.00 0.70 C ATOM 172 C GLY A 11 1.800 8.226 8.638 1.00 0.77 C ATOM 173 O GLY A 11 2.623 7.396 9.017 1.00 2.26 O ATOM 0 H GLY A 11 -1.245 9.143 8.602 1.00 0.62 H new ATOM 0 HA2 GLY A 11 0.551 9.472 9.869 1.00 0.70 H new ATOM 0 HA3 GLY A 11 0.506 7.773 10.296 1.00 0.70 H new ATOM 177 N LEU A 12 1.964 8.976 7.543 1.00 1.11 N ATOM 178 CA LEU A 12 3.146 8.987 6.692 1.00 0.93 C ATOM 179 C LEU A 12 3.095 10.251 5.836 1.00 1.06 C ATOM 180 O LEU A 12 2.041 10.884 5.768 1.00 1.33 O ATOM 181 CB LEU A 12 3.220 7.712 5.840 1.00 1.11 C ATOM 182 CG LEU A 12 1.932 7.317 5.093 1.00 1.65 C ATOM 183 CD1 LEU A 12 1.595 8.242 3.913 1.00 1.87 C ATOM 184 CD2 LEU A 12 2.085 5.880 4.605 1.00 2.72 C ATOM 0 H LEU A 12 1.242 9.618 7.216 1.00 1.11 H new ATOM 0 HA LEU A 12 4.053 8.999 7.297 1.00 0.93 H new ATOM 0 HB2 LEU A 12 4.017 7.836 5.107 1.00 1.11 H new ATOM 0 HB3 LEU A 12 3.508 6.884 6.487 1.00 1.11 H new ATOM 0 HG LEU A 12 1.101 7.414 5.792 1.00 1.65 H new ATOM 0 HD11 LEU A 12 0.676 7.902 3.435 1.00 1.87 H new ATOM 0 HD12 LEU A 12 1.460 9.261 4.276 1.00 1.87 H new ATOM 0 HD13 LEU A 12 2.410 8.220 3.189 1.00 1.87 H new ATOM 0 HD21 LEU A 12 1.183 5.579 4.072 1.00 2.72 H new ATOM 0 HD22 LEU A 12 2.942 5.813 3.935 1.00 2.72 H new ATOM 0 HD23 LEU A 12 2.240 5.220 5.459 1.00 2.72 H new ATOM 196 N SER A 13 4.202 10.615 5.180 1.00 1.15 N ATOM 197 CA SER A 13 4.263 11.783 4.306 1.00 1.46 C ATOM 198 C SER A 13 5.628 11.845 3.610 1.00 1.01 C ATOM 199 O SER A 13 6.409 12.754 3.886 1.00 1.28 O ATOM 200 CB SER A 13 4.006 13.072 5.110 1.00 2.17 C ATOM 201 OG SER A 13 4.947 13.184 6.159 1.00 2.71 O ATOM 0 H SER A 13 5.082 10.103 5.243 1.00 1.15 H new ATOM 0 HA SER A 13 3.486 11.695 3.546 1.00 1.46 H new ATOM 0 HB2 SER A 13 4.076 13.940 4.454 1.00 2.17 H new ATOM 0 HB3 SER A 13 2.995 13.061 5.517 1.00 2.17 H new ATOM 0 HG SER A 13 5.849 13.031 5.807 1.00 2.71 H new ATOM 207 N CYS A 14 5.938 10.883 2.733 1.00 0.73 N ATOM 208 CA CYS A 14 7.225 10.863 2.041 1.00 0.70 C ATOM 209 C CYS A 14 7.145 10.071 0.734 1.00 0.66 C ATOM 210 O CYS A 14 6.744 8.907 0.729 1.00 0.61 O ATOM 211 CB CYS A 14 8.298 10.280 2.964 1.00 1.06 C ATOM 212 SG CYS A 14 9.837 10.122 2.035 1.00 2.18 S ATOM 0 H CYS A 14 5.316 10.113 2.489 1.00 0.73 H new ATOM 0 HA CYS A 14 7.494 11.887 1.783 1.00 0.70 H new ATOM 0 HB2 CYS A 14 8.444 10.926 3.829 1.00 1.06 H new ATOM 0 HB3 CYS A 14 7.983 9.307 3.342 1.00 1.06 H new ATOM 0 HG CYS A 14 10.761 9.629 2.806 1.00 2.18 H new ATOM 218 N THR A 15 7.522 10.703 -0.382 1.00 0.78 N ATOM 219 CA THR A 15 7.511 10.097 -1.702 1.00 0.81 C ATOM 220 C THR A 15 8.383 8.842 -1.756 1.00 0.75 C ATOM 221 O THR A 15 7.963 7.836 -2.315 1.00 0.70 O ATOM 222 CB THR A 15 7.959 11.142 -2.730 1.00 0.96 C ATOM 223 OG1 THR A 15 7.319 12.368 -2.433 1.00 1.24 O ATOM 224 CG2 THR A 15 7.624 10.713 -4.161 1.00 1.37 C ATOM 0 H THR A 15 7.849 11.669 -0.385 1.00 0.78 H new ATOM 0 HA THR A 15 6.497 9.773 -1.938 1.00 0.81 H new ATOM 0 HB THR A 15 9.042 11.249 -2.669 1.00 0.96 H new ATOM 0 HG1 THR A 15 7.597 13.048 -3.082 1.00 1.24 H new ATOM 0 HG21 THR A 15 7.958 11.481 -4.859 1.00 1.37 H new ATOM 0 HG22 THR A 15 8.129 9.774 -4.387 1.00 1.37 H new ATOM 0 HG23 THR A 15 6.547 10.579 -4.258 1.00 1.37 H new ATOM 232 N ASN A 16 9.588 8.871 -1.178 1.00 0.79 N ATOM 233 CA ASN A 16 10.448 7.696 -1.142 1.00 0.80 C ATOM 234 C ASN A 16 9.734 6.530 -0.460 1.00 0.66 C ATOM 235 O ASN A 16 9.754 5.405 -0.959 1.00 0.66 O ATOM 236 CB ASN A 16 11.793 7.989 -0.462 1.00 0.94 C ATOM 237 CG ASN A 16 12.755 8.704 -1.406 1.00 1.46 C ATOM 238 OD1 ASN A 16 13.228 8.118 -2.372 1.00 2.50 O ATOM 239 ND2 ASN A 16 13.056 9.973 -1.145 1.00 1.96 N ATOM 0 H ASN A 16 9.985 9.697 -0.730 1.00 0.79 H new ATOM 0 HA ASN A 16 10.665 7.416 -2.173 1.00 0.80 H new ATOM 0 HB2 ASN A 16 11.628 8.603 0.424 1.00 0.94 H new ATOM 0 HB3 ASN A 16 12.241 7.055 -0.123 1.00 0.94 H new ATOM 0 HD21 ASN A 16 13.695 10.482 -1.756 1.00 1.96 H new ATOM 0 HD22 ASN A 16 12.648 10.437 -0.334 1.00 1.96 H new ATOM 246 N CYS A 17 9.077 6.799 0.670 1.00 0.60 N ATOM 247 CA CYS A 17 8.300 5.780 1.361 1.00 0.52 C ATOM 248 C CYS A 17 7.178 5.278 0.456 1.00 0.48 C ATOM 249 O CYS A 17 6.988 4.071 0.327 1.00 0.44 O ATOM 250 CB CYS A 17 7.752 6.300 2.692 1.00 0.52 C ATOM 251 SG CYS A 17 9.113 6.481 3.871 1.00 0.81 S ATOM 0 H CYS A 17 9.070 7.714 1.122 1.00 0.60 H new ATOM 0 HA CYS A 17 8.959 4.943 1.594 1.00 0.52 H new ATOM 0 HB2 CYS A 17 7.254 7.258 2.544 1.00 0.52 H new ATOM 0 HB3 CYS A 17 7.005 5.610 3.085 1.00 0.52 H new ATOM 0 HG CYS A 17 8.634 6.760 5.047 1.00 0.81 H new ATOM 257 N ALA A 18 6.453 6.192 -0.198 1.00 0.50 N ATOM 258 CA ALA A 18 5.407 5.834 -1.155 1.00 0.50 C ATOM 259 C ALA A 18 5.951 4.897 -2.235 1.00 0.48 C ATOM 260 O ALA A 18 5.343 3.876 -2.550 1.00 0.46 O ATOM 261 CB ALA A 18 4.822 7.095 -1.800 1.00 0.56 C ATOM 0 H ALA A 18 6.576 7.197 -0.078 1.00 0.50 H new ATOM 0 HA ALA A 18 4.617 5.313 -0.614 1.00 0.50 H new ATOM 0 HB1 ALA A 18 4.045 6.813 -2.510 1.00 0.56 H new ATOM 0 HB2 ALA A 18 4.394 7.734 -1.027 1.00 0.56 H new ATOM 0 HB3 ALA A 18 5.611 7.636 -2.322 1.00 0.56 H new ATOM 267 N ALA A 19 7.111 5.255 -2.789 1.00 0.52 N ATOM 268 CA ALA A 19 7.768 4.532 -3.867 1.00 0.50 C ATOM 269 C ALA A 19 8.112 3.123 -3.398 1.00 0.45 C ATOM 270 O ALA A 19 7.762 2.136 -4.047 1.00 0.43 O ATOM 271 CB ALA A 19 9.020 5.291 -4.321 1.00 0.58 C ATOM 0 H ALA A 19 7.630 6.080 -2.488 1.00 0.52 H new ATOM 0 HA ALA A 19 7.097 4.455 -4.722 1.00 0.50 H new ATOM 0 HB1 ALA A 19 9.505 4.742 -5.128 1.00 0.58 H new ATOM 0 HB2 ALA A 19 8.736 6.282 -4.675 1.00 0.58 H new ATOM 0 HB3 ALA A 19 9.710 5.389 -3.483 1.00 0.58 H new ATOM 277 N LYS A 20 8.778 3.039 -2.241 1.00 0.46 N ATOM 278 CA LYS A 20 9.076 1.772 -1.599 1.00 0.46 C ATOM 279 C LYS A 20 7.791 0.962 -1.443 1.00 0.40 C ATOM 280 O LYS A 20 7.775 -0.225 -1.749 1.00 0.43 O ATOM 281 CB LYS A 20 9.777 2.016 -0.255 1.00 0.54 C ATOM 282 CG LYS A 20 10.314 0.706 0.336 1.00 0.70 C ATOM 283 CD LYS A 20 11.122 0.979 1.617 1.00 1.54 C ATOM 284 CE LYS A 20 12.556 0.441 1.534 1.00 1.54 C ATOM 285 NZ LYS A 20 12.601 -1.029 1.369 1.00 2.91 N ATOM 0 H LYS A 20 9.122 3.852 -1.730 1.00 0.46 H new ATOM 0 HA LYS A 20 9.759 1.191 -2.219 1.00 0.46 H new ATOM 0 HB2 LYS A 20 10.598 2.720 -0.392 1.00 0.54 H new ATOM 0 HB3 LYS A 20 9.078 2.474 0.445 1.00 0.54 H new ATOM 0 HG2 LYS A 20 9.485 0.035 0.559 1.00 0.70 H new ATOM 0 HG3 LYS A 20 10.944 0.202 -0.397 1.00 0.70 H new ATOM 0 HD2 LYS A 20 11.151 2.053 1.803 1.00 1.54 H new ATOM 0 HD3 LYS A 20 10.615 0.522 2.467 1.00 1.54 H new ATOM 0 HE2 LYS A 20 13.070 0.913 0.697 1.00 1.54 H new ATOM 0 HE3 LYS A 20 13.098 0.719 2.438 1.00 1.54 H new ATOM 0 HZ1 LYS A 20 13.573 -1.366 1.521 1.00 2.91 H new ATOM 0 HZ2 LYS A 20 11.967 -1.476 2.062 1.00 2.91 H new ATOM 0 HZ3 LYS A 20 12.294 -1.280 0.408 1.00 2.91 H new ATOM 299 N PHE A 21 6.713 1.603 -0.990 1.00 0.36 N ATOM 300 CA PHE A 21 5.417 0.962 -0.860 1.00 0.34 C ATOM 301 C PHE A 21 4.963 0.377 -2.197 1.00 0.34 C ATOM 302 O PHE A 21 4.810 -0.835 -2.298 1.00 0.35 O ATOM 303 CB PHE A 21 4.380 1.933 -0.280 1.00 0.32 C ATOM 304 CG PHE A 21 3.434 1.332 0.737 1.00 0.74 C ATOM 305 CD1 PHE A 21 3.951 0.966 1.993 1.00 1.69 C ATOM 306 CD2 PHE A 21 2.043 1.472 0.581 1.00 2.29 C ATOM 307 CE1 PHE A 21 3.121 0.984 3.122 1.00 1.68 C ATOM 308 CE2 PHE A 21 1.207 1.466 1.711 1.00 2.58 C ATOM 309 CZ PHE A 21 1.771 1.336 2.991 1.00 1.38 C ATOM 0 H PHE A 21 6.721 2.582 -0.704 1.00 0.36 H new ATOM 0 HA PHE A 21 5.513 0.134 -0.158 1.00 0.34 H new ATOM 0 HB2 PHE A 21 4.906 2.767 0.185 1.00 0.32 H new ATOM 0 HB3 PHE A 21 3.792 2.345 -1.100 1.00 0.32 H new ATOM 0 HD1 PHE A 21 4.986 0.672 2.087 1.00 1.69 H new ATOM 0 HD2 PHE A 21 1.618 1.584 -0.406 1.00 2.29 H new ATOM 0 HE1 PHE A 21 3.521 0.727 4.092 1.00 1.68 H new ATOM 0 HE2 PHE A 21 0.137 1.561 1.596 1.00 2.58 H new ATOM 0 HZ PHE A 21 1.167 1.507 3.870 1.00 1.38 H new ATOM 319 N GLU A 22 4.739 1.199 -3.230 1.00 0.35 N ATOM 320 CA GLU A 22 4.159 0.673 -4.462 1.00 0.39 C ATOM 321 C GLU A 22 5.043 -0.399 -5.082 1.00 0.33 C ATOM 322 O GLU A 22 4.540 -1.382 -5.614 1.00 0.33 O ATOM 323 CB GLU A 22 3.801 1.758 -5.480 1.00 0.49 C ATOM 324 CG GLU A 22 4.964 2.492 -6.153 1.00 0.51 C ATOM 325 CD GLU A 22 4.514 3.100 -7.472 1.00 1.18 C ATOM 326 OE1 GLU A 22 4.110 2.294 -8.345 1.00 1.91 O ATOM 327 OE2 GLU A 22 4.571 4.340 -7.587 1.00 2.35 O ATOM 0 H GLU A 22 4.944 2.198 -3.236 1.00 0.35 H new ATOM 0 HA GLU A 22 3.215 0.211 -4.172 1.00 0.39 H new ATOM 0 HB2 GLU A 22 3.191 1.302 -6.260 1.00 0.49 H new ATOM 0 HB3 GLU A 22 3.177 2.499 -4.980 1.00 0.49 H new ATOM 0 HG2 GLU A 22 5.339 3.275 -5.493 1.00 0.51 H new ATOM 0 HG3 GLU A 22 5.788 1.800 -6.327 1.00 0.51 H new ATOM 334 N ARG A 23 6.358 -0.207 -5.013 1.00 0.31 N ATOM 335 CA ARG A 23 7.314 -1.195 -5.479 1.00 0.31 C ATOM 336 C ARG A 23 7.158 -2.494 -4.685 1.00 0.31 C ATOM 337 O ARG A 23 7.018 -3.557 -5.284 1.00 0.32 O ATOM 338 CB ARG A 23 8.729 -0.611 -5.414 1.00 0.35 C ATOM 339 CG ARG A 23 9.745 -1.586 -6.017 1.00 0.64 C ATOM 340 CD ARG A 23 11.013 -0.839 -6.449 1.00 0.97 C ATOM 341 NE ARG A 23 12.014 -1.763 -7.005 1.00 1.42 N ATOM 342 CZ ARG A 23 11.956 -2.338 -8.219 1.00 2.37 C ATOM 343 NH1 ARG A 23 10.933 -2.067 -9.038 1.00 3.62 N ATOM 344 NH2 ARG A 23 12.922 -3.176 -8.609 1.00 3.00 N ATOM 0 H ARG A 23 6.785 0.637 -4.633 1.00 0.31 H new ATOM 0 HA ARG A 23 7.121 -1.447 -6.522 1.00 0.31 H new ATOM 0 HB2 ARG A 23 8.762 0.336 -5.953 1.00 0.35 H new ATOM 0 HB3 ARG A 23 8.993 -0.398 -4.378 1.00 0.35 H new ATOM 0 HG2 ARG A 23 9.999 -2.354 -5.287 1.00 0.64 H new ATOM 0 HG3 ARG A 23 9.305 -2.095 -6.875 1.00 0.64 H new ATOM 0 HD2 ARG A 23 10.758 -0.085 -7.194 1.00 0.97 H new ATOM 0 HD3 ARG A 23 11.436 -0.312 -5.594 1.00 0.97 H new ATOM 0 HE ARG A 23 12.820 -1.986 -6.420 1.00 1.42 H new ATOM 0 HH11 ARG A 23 10.198 -1.425 -8.741 1.00 3.62 H new ATOM 0 HH12 ARG A 23 10.888 -2.503 -9.959 1.00 3.62 H new ATOM 0 HH21 ARG A 23 13.703 -3.379 -7.985 1.00 3.00 H new ATOM 0 HH22 ARG A 23 12.878 -3.612 -9.530 1.00 3.00 H new ATOM 358 N ASN A 24 7.128 -2.416 -3.349 1.00 0.32 N ATOM 359 CA ASN A 24 6.862 -3.579 -2.508 1.00 0.35 C ATOM 360 C ASN A 24 5.584 -4.270 -2.991 1.00 0.36 C ATOM 361 O ASN A 24 5.576 -5.477 -3.210 1.00 0.43 O ATOM 362 CB ASN A 24 6.679 -3.204 -1.030 1.00 0.44 C ATOM 363 CG ASN A 24 7.927 -2.787 -0.254 1.00 0.63 C ATOM 364 OD1 ASN A 24 7.716 -2.410 1.006 1.00 1.36 O flip ATOM 365 ND2 ASN A 24 9.059 -2.824 -0.730 1.00 1.20 N flip ATOM 0 H ASN A 24 7.286 -1.553 -2.829 1.00 0.32 H new ATOM 0 HA ASN A 24 7.726 -4.239 -2.587 1.00 0.35 H new ATOM 0 HB2 ASN A 24 5.959 -2.387 -0.976 1.00 0.44 H new ATOM 0 HB3 ASN A 24 6.233 -4.057 -0.518 1.00 0.44 H new ATOM 0 HD21 ASN A 24 9.196 -3.116 -1.698 1.00 1.20 H new ATOM 0 HD22 ASN A 24 9.862 -2.563 -0.158 1.00 1.20 H new ATOM 372 N VAL A 25 4.495 -3.511 -3.164 1.00 0.33 N ATOM 373 CA VAL A 25 3.235 -4.066 -3.644 1.00 0.34 C ATOM 374 C VAL A 25 3.422 -4.763 -4.994 1.00 0.35 C ATOM 375 O VAL A 25 3.022 -5.910 -5.153 1.00 0.38 O ATOM 376 CB VAL A 25 2.111 -3.012 -3.666 1.00 0.35 C ATOM 377 CG1 VAL A 25 0.780 -3.666 -4.054 1.00 0.37 C ATOM 378 CG2 VAL A 25 1.942 -2.358 -2.291 1.00 0.36 C ATOM 0 H VAL A 25 4.467 -2.509 -2.977 1.00 0.33 H new ATOM 0 HA VAL A 25 2.913 -4.828 -2.934 1.00 0.34 H new ATOM 0 HB VAL A 25 2.388 -2.253 -4.397 1.00 0.35 H new ATOM 0 HG11 VAL A 25 -0.006 -2.911 -4.066 1.00 0.37 H new ATOM 0 HG12 VAL A 25 0.869 -4.113 -5.044 1.00 0.37 H new ATOM 0 HG13 VAL A 25 0.529 -4.439 -3.328 1.00 0.37 H new ATOM 0 HG21 VAL A 25 1.142 -1.619 -2.336 1.00 0.36 H new ATOM 0 HG22 VAL A 25 1.690 -3.121 -1.554 1.00 0.36 H new ATOM 0 HG23 VAL A 25 2.873 -1.869 -2.004 1.00 0.36 H new ATOM 388 N LYS A 26 4.053 -4.090 -5.954 1.00 0.35 N ATOM 389 CA LYS A 26 4.390 -4.638 -7.256 1.00 0.36 C ATOM 390 C LYS A 26 5.174 -5.959 -7.141 1.00 0.38 C ATOM 391 O LYS A 26 4.975 -6.845 -7.967 1.00 0.41 O ATOM 392 CB LYS A 26 5.139 -3.550 -8.038 1.00 0.36 C ATOM 393 CG LYS A 26 4.182 -2.526 -8.669 1.00 0.44 C ATOM 394 CD LYS A 26 4.996 -1.296 -9.100 1.00 0.63 C ATOM 395 CE LYS A 26 4.369 -0.508 -10.262 1.00 0.81 C ATOM 396 NZ LYS A 26 3.212 0.312 -9.843 1.00 1.47 N ATOM 0 H LYS A 26 4.350 -3.121 -5.839 1.00 0.35 H new ATOM 0 HA LYS A 26 3.486 -4.908 -7.802 1.00 0.36 H new ATOM 0 HB2 LYS A 26 5.830 -3.036 -7.370 1.00 0.36 H new ATOM 0 HB3 LYS A 26 5.739 -4.015 -8.821 1.00 0.36 H new ATOM 0 HG2 LYS A 26 3.673 -2.963 -9.528 1.00 0.44 H new ATOM 0 HG3 LYS A 26 3.411 -2.238 -7.954 1.00 0.44 H new ATOM 0 HD2 LYS A 26 5.111 -0.631 -8.244 1.00 0.63 H new ATOM 0 HD3 LYS A 26 5.996 -1.618 -9.391 1.00 0.63 H new ATOM 0 HE2 LYS A 26 5.125 0.140 -10.705 1.00 0.81 H new ATOM 0 HE3 LYS A 26 4.052 -1.205 -11.038 1.00 0.81 H new ATOM 0 HZ1 LYS A 26 2.915 0.922 -10.631 1.00 1.47 H new ATOM 0 HZ2 LYS A 26 2.425 -0.311 -9.572 1.00 1.47 H new ATOM 0 HZ3 LYS A 26 3.481 0.903 -9.031 1.00 1.47 H new ATOM 410 N GLU A 27 6.036 -6.121 -6.128 1.00 0.38 N ATOM 411 CA GLU A 27 6.732 -7.386 -5.890 1.00 0.45 C ATOM 412 C GLU A 27 5.798 -8.520 -5.420 1.00 0.49 C ATOM 413 O GLU A 27 6.195 -9.683 -5.468 1.00 0.62 O ATOM 414 CB GLU A 27 7.907 -7.181 -4.916 1.00 0.52 C ATOM 415 CG GLU A 27 9.014 -6.308 -5.531 1.00 0.60 C ATOM 416 CD GLU A 27 10.157 -6.001 -4.566 1.00 1.14 C ATOM 417 OE1 GLU A 27 9.904 -6.017 -3.342 1.00 2.19 O ATOM 418 OE2 GLU A 27 11.263 -5.725 -5.080 1.00 1.63 O ATOM 0 H GLU A 27 6.266 -5.386 -5.459 1.00 0.38 H new ATOM 0 HA GLU A 27 7.127 -7.712 -6.852 1.00 0.45 H new ATOM 0 HB2 GLU A 27 7.543 -6.715 -4.001 1.00 0.52 H new ATOM 0 HB3 GLU A 27 8.321 -8.150 -4.637 1.00 0.52 H new ATOM 0 HG2 GLU A 27 9.417 -6.812 -6.410 1.00 0.60 H new ATOM 0 HG3 GLU A 27 8.577 -5.370 -5.874 1.00 0.60 H new ATOM 425 N ILE A 28 4.577 -8.232 -4.952 1.00 0.45 N ATOM 426 CA ILE A 28 3.655 -9.272 -4.500 1.00 0.47 C ATOM 427 C ILE A 28 3.020 -9.966 -5.709 1.00 0.50 C ATOM 428 O ILE A 28 2.139 -9.426 -6.373 1.00 0.79 O ATOM 429 CB ILE A 28 2.543 -8.719 -3.599 1.00 0.46 C ATOM 430 CG1 ILE A 28 3.051 -7.876 -2.421 1.00 0.44 C ATOM 431 CG2 ILE A 28 1.645 -9.856 -3.078 1.00 0.52 C ATOM 432 CD1 ILE A 28 1.931 -7.000 -1.853 1.00 1.44 C ATOM 0 H ILE A 28 4.208 -7.284 -4.878 1.00 0.45 H new ATOM 0 HA ILE A 28 4.238 -9.982 -3.914 1.00 0.47 H new ATOM 0 HB ILE A 28 1.965 -8.047 -4.233 1.00 0.46 H new ATOM 0 HG12 ILE A 28 3.438 -8.531 -1.640 1.00 0.44 H new ATOM 0 HG13 ILE A 28 3.879 -7.247 -2.749 1.00 0.44 H new ATOM 0 HG21 ILE A 28 0.864 -9.440 -2.442 1.00 0.52 H new ATOM 0 HG22 ILE A 28 1.188 -10.374 -3.921 1.00 0.52 H new ATOM 0 HG23 ILE A 28 2.246 -10.560 -2.502 1.00 0.52 H new ATOM 0 HD11 ILE A 28 2.316 -6.412 -1.020 1.00 1.44 H new ATOM 0 HD12 ILE A 28 1.563 -6.330 -2.630 1.00 1.44 H new ATOM 0 HD13 ILE A 28 1.115 -7.633 -1.504 1.00 1.44 H new ATOM 444 N GLU A 29 3.389 -11.224 -5.906 1.00 0.44 N ATOM 445 CA GLU A 29 2.908 -12.129 -6.935 1.00 0.47 C ATOM 446 C GLU A 29 1.379 -12.202 -7.017 1.00 0.74 C ATOM 447 O GLU A 29 0.800 -12.431 -8.074 1.00 1.96 O ATOM 448 CB GLU A 29 3.526 -13.499 -6.632 1.00 0.59 C ATOM 449 CG GLU A 29 4.924 -13.649 -7.247 1.00 0.72 C ATOM 450 CD GLU A 29 4.841 -14.007 -8.726 1.00 1.87 C ATOM 451 OE1 GLU A 29 4.499 -15.179 -8.998 1.00 2.89 O ATOM 452 OE2 GLU A 29 5.113 -13.110 -9.551 1.00 2.88 O ATOM 0 H GLU A 29 4.083 -11.669 -5.306 1.00 0.44 H new ATOM 0 HA GLU A 29 3.211 -11.763 -7.916 1.00 0.47 H new ATOM 0 HB2 GLU A 29 3.588 -13.638 -5.553 1.00 0.59 H new ATOM 0 HB3 GLU A 29 2.875 -14.284 -7.017 1.00 0.59 H new ATOM 0 HG2 GLU A 29 5.479 -12.719 -7.126 1.00 0.72 H new ATOM 0 HG3 GLU A 29 5.478 -14.422 -6.714 1.00 0.72 H new ATOM 459 N GLY A 30 0.730 -12.025 -5.872 1.00 0.66 N ATOM 460 CA GLY A 30 -0.719 -12.042 -5.740 1.00 0.71 C ATOM 461 C GLY A 30 -1.412 -10.852 -6.416 1.00 0.61 C ATOM 462 O GLY A 30 -2.599 -10.936 -6.722 1.00 0.80 O ATOM 0 H GLY A 30 1.211 -11.862 -4.988 1.00 0.66 H new ATOM 0 HA2 GLY A 30 -1.104 -12.967 -6.169 1.00 0.71 H new ATOM 0 HA3 GLY A 30 -0.979 -12.049 -4.681 1.00 0.71 H new ATOM 466 N VAL A 31 -0.727 -9.715 -6.591 1.00 0.46 N ATOM 467 CA VAL A 31 -1.333 -8.513 -7.139 1.00 0.42 C ATOM 468 C VAL A 31 -1.056 -8.403 -8.642 1.00 0.41 C ATOM 469 O VAL A 31 -0.138 -9.042 -9.149 1.00 0.56 O ATOM 470 CB VAL A 31 -0.833 -7.302 -6.333 1.00 0.52 C ATOM 471 CG1 VAL A 31 0.392 -6.614 -6.937 1.00 0.84 C ATOM 472 CG2 VAL A 31 -1.948 -6.274 -6.191 1.00 0.50 C ATOM 0 H VAL A 31 0.260 -9.611 -6.355 1.00 0.46 H new ATOM 0 HA VAL A 31 -2.418 -8.551 -7.045 1.00 0.42 H new ATOM 0 HB VAL A 31 -0.532 -7.698 -5.363 1.00 0.52 H new ATOM 0 HG11 VAL A 31 0.682 -5.771 -6.310 1.00 0.84 H new ATOM 0 HG12 VAL A 31 1.217 -7.324 -6.994 1.00 0.84 H new ATOM 0 HG13 VAL A 31 0.152 -6.256 -7.938 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -1.585 -5.420 -5.619 1.00 0.50 H new ATOM 0 HG22 VAL A 31 -2.264 -5.941 -7.180 1.00 0.50 H new ATOM 0 HG23 VAL A 31 -2.794 -6.725 -5.673 1.00 0.50 H new ATOM 482 N THR A 32 -1.828 -7.563 -9.338 1.00 0.42 N ATOM 483 CA THR A 32 -1.592 -7.211 -10.730 1.00 0.45 C ATOM 484 C THR A 32 -1.146 -5.755 -10.772 1.00 0.41 C ATOM 485 O THR A 32 -0.046 -5.472 -11.242 1.00 0.47 O ATOM 486 CB THR A 32 -2.828 -7.510 -11.593 1.00 0.50 C ATOM 487 OG1 THR A 32 -3.231 -8.846 -11.365 1.00 0.60 O ATOM 488 CG2 THR A 32 -2.526 -7.330 -13.082 1.00 0.56 C ATOM 0 H THR A 32 -2.646 -7.104 -8.938 1.00 0.42 H new ATOM 0 HA THR A 32 -0.800 -7.822 -11.162 1.00 0.45 H new ATOM 0 HB THR A 32 -3.618 -6.812 -11.317 1.00 0.50 H new ATOM 0 HG1 THR A 32 -4.020 -9.047 -11.910 1.00 0.60 H new ATOM 0 HG21 THR A 32 -3.421 -7.549 -13.664 1.00 0.56 H new ATOM 0 HG22 THR A 32 -2.215 -6.302 -13.268 1.00 0.56 H new ATOM 0 HG23 THR A 32 -1.727 -8.010 -13.376 1.00 0.56 H new ATOM 496 N GLU A 33 -1.960 -4.840 -10.228 1.00 0.39 N ATOM 497 CA GLU A 33 -1.560 -3.449 -10.064 1.00 0.47 C ATOM 498 C GLU A 33 -1.995 -2.945 -8.696 1.00 0.39 C ATOM 499 O GLU A 33 -2.825 -3.560 -8.033 1.00 0.58 O ATOM 500 CB GLU A 33 -2.154 -2.573 -11.175 1.00 0.67 C ATOM 501 CG GLU A 33 -1.591 -2.941 -12.552 1.00 0.80 C ATOM 502 CD GLU A 33 -1.701 -1.767 -13.514 1.00 1.14 C ATOM 503 OE1 GLU A 33 -0.950 -0.793 -13.288 1.00 1.97 O ATOM 504 OE2 GLU A 33 -2.539 -1.857 -14.435 1.00 2.13 O ATOM 0 H GLU A 33 -2.902 -5.046 -9.895 1.00 0.39 H new ATOM 0 HA GLU A 33 -0.474 -3.389 -10.136 1.00 0.47 H new ATOM 0 HB2 GLU A 33 -3.238 -2.683 -11.184 1.00 0.67 H new ATOM 0 HB3 GLU A 33 -1.942 -1.525 -10.964 1.00 0.67 H new ATOM 0 HG2 GLU A 33 -0.547 -3.240 -12.455 1.00 0.80 H new ATOM 0 HG3 GLU A 33 -2.132 -3.798 -12.954 1.00 0.80 H new ATOM 511 N ALA A 34 -1.438 -1.811 -8.271 1.00 0.36 N ATOM 512 CA ALA A 34 -1.860 -1.120 -7.068 1.00 0.46 C ATOM 513 C ALA A 34 -1.501 0.350 -7.225 1.00 0.45 C ATOM 514 O ALA A 34 -0.411 0.636 -7.724 1.00 0.49 O ATOM 515 CB ALA A 34 -1.142 -1.732 -5.867 1.00 0.66 C ATOM 0 H ALA A 34 -0.674 -1.347 -8.762 1.00 0.36 H new ATOM 0 HA ALA A 34 -2.934 -1.216 -6.910 1.00 0.46 H new ATOM 0 HB1 ALA A 34 -1.453 -1.219 -4.957 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -1.395 -2.790 -5.792 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -0.065 -1.625 -5.994 1.00 0.66 H new ATOM 521 N ILE A 35 -2.399 1.265 -6.836 1.00 0.47 N ATOM 522 CA ILE A 35 -2.145 2.700 -6.948 1.00 0.47 C ATOM 523 C ILE A 35 -2.031 3.273 -5.533 1.00 0.41 C ATOM 524 O ILE A 35 -3.040 3.483 -4.857 1.00 0.48 O ATOM 525 CB ILE A 35 -3.217 3.411 -7.800 1.00 0.54 C ATOM 526 CG1 ILE A 35 -3.554 2.685 -9.118 1.00 0.74 C ATOM 527 CG2 ILE A 35 -2.781 4.857 -8.086 1.00 0.52 C ATOM 528 CD1 ILE A 35 -2.377 2.516 -10.088 1.00 1.80 C ATOM 0 H ILE A 35 -3.310 1.032 -6.440 1.00 0.47 H new ATOM 0 HA ILE A 35 -1.208 2.873 -7.477 1.00 0.47 H new ATOM 0 HB ILE A 35 -4.134 3.400 -7.211 1.00 0.54 H new ATOM 0 HG12 ILE A 35 -3.953 1.699 -8.880 1.00 0.74 H new ATOM 0 HG13 ILE A 35 -4.347 3.235 -9.625 1.00 0.74 H new ATOM 0 HG21 ILE A 35 -3.542 5.354 -8.688 1.00 0.52 H new ATOM 0 HG22 ILE A 35 -2.656 5.392 -7.145 1.00 0.52 H new ATOM 0 HG23 ILE A 35 -1.836 4.851 -8.628 1.00 0.52 H new ATOM 0 HD11 ILE A 35 -2.715 1.995 -10.983 1.00 1.80 H new ATOM 0 HD12 ILE A 35 -1.989 3.497 -10.364 1.00 1.80 H new ATOM 0 HD13 ILE A 35 -1.589 1.936 -9.607 1.00 1.80 H new ATOM 540 N VAL A 36 -0.798 3.510 -5.081 1.00 0.42 N ATOM 541 CA VAL A 36 -0.512 4.081 -3.774 1.00 0.42 C ATOM 542 C VAL A 36 -0.618 5.606 -3.871 1.00 0.43 C ATOM 543 O VAL A 36 0.128 6.213 -4.634 1.00 0.58 O ATOM 544 CB VAL A 36 0.907 3.667 -3.343 1.00 0.59 C ATOM 545 CG1 VAL A 36 1.270 4.306 -2.001 1.00 2.52 C ATOM 546 CG2 VAL A 36 1.092 2.151 -3.230 1.00 2.30 C ATOM 0 H VAL A 36 0.040 3.305 -5.626 1.00 0.42 H new ATOM 0 HA VAL A 36 -1.224 3.718 -3.033 1.00 0.42 H new ATOM 0 HB VAL A 36 1.569 4.024 -4.132 1.00 0.59 H new ATOM 0 HG11 VAL A 36 2.276 4.001 -1.713 1.00 2.52 H new ATOM 0 HG12 VAL A 36 1.232 5.391 -2.093 1.00 2.52 H new ATOM 0 HG13 VAL A 36 0.561 3.981 -1.240 1.00 2.52 H new ATOM 0 HG21 VAL A 36 2.114 1.931 -2.923 1.00 2.30 H new ATOM 0 HG22 VAL A 36 0.397 1.754 -2.490 1.00 2.30 H new ATOM 0 HG23 VAL A 36 0.896 1.688 -4.197 1.00 2.30 H new ATOM 556 N ASN A 37 -1.503 6.235 -3.088 1.00 0.45 N ATOM 557 CA ASN A 37 -1.570 7.688 -2.963 1.00 0.55 C ATOM 558 C ASN A 37 -1.256 8.050 -1.510 1.00 0.85 C ATOM 559 O ASN A 37 -2.128 7.971 -0.645 1.00 2.17 O ATOM 560 CB ASN A 37 -2.943 8.219 -3.394 1.00 0.74 C ATOM 561 CG ASN A 37 -3.284 7.892 -4.842 1.00 0.99 C ATOM 562 OD1 ASN A 37 -3.133 8.727 -5.726 1.00 1.46 O ATOM 563 ND2 ASN A 37 -3.779 6.684 -5.095 1.00 1.96 N ATOM 0 H ASN A 37 -2.195 5.743 -2.522 1.00 0.45 H new ATOM 0 HA ASN A 37 -0.840 8.156 -3.624 1.00 0.55 H new ATOM 0 HB2 ASN A 37 -3.709 7.798 -2.743 1.00 0.74 H new ATOM 0 HB3 ASN A 37 -2.967 9.300 -3.257 1.00 0.74 H new ATOM 0 HD21 ASN A 37 -4.045 6.431 -6.047 1.00 1.96 H new ATOM 0 HD22 ASN A 37 -3.893 6.011 -4.337 1.00 1.96 H new ATOM 570 N PHE A 38 0.003 8.412 -1.251 1.00 1.08 N ATOM 571 CA PHE A 38 0.512 8.830 0.055 1.00 1.20 C ATOM 572 C PHE A 38 0.200 10.309 0.317 1.00 1.30 C ATOM 573 O PHE A 38 -0.631 10.915 -0.360 1.00 2.20 O ATOM 574 CB PHE A 38 2.025 8.512 0.116 1.00 1.56 C ATOM 575 CG PHE A 38 2.389 7.154 0.692 1.00 1.60 C ATOM 576 CD1 PHE A 38 1.490 6.074 0.623 1.00 2.19 C ATOM 577 CD2 PHE A 38 3.620 6.985 1.356 1.00 3.10 C ATOM 578 CE1 PHE A 38 1.835 4.831 1.174 1.00 2.27 C ATOM 579 CE2 PHE A 38 3.963 5.739 1.906 1.00 3.37 C ATOM 580 CZ PHE A 38 3.083 4.654 1.789 1.00 2.18 C ATOM 0 H PHE A 38 0.722 8.422 -1.974 1.00 1.08 H new ATOM 0 HA PHE A 38 0.014 8.278 0.852 1.00 1.20 H new ATOM 0 HB2 PHE A 38 2.433 8.580 -0.893 1.00 1.56 H new ATOM 0 HB3 PHE A 38 2.516 9.282 0.711 1.00 1.56 H new ATOM 0 HD1 PHE A 38 0.531 6.202 0.144 1.00 2.19 H new ATOM 0 HD2 PHE A 38 4.303 7.817 1.442 1.00 3.10 H new ATOM 0 HE1 PHE A 38 1.138 4.008 1.125 1.00 2.27 H new ATOM 0 HE2 PHE A 38 4.905 5.617 2.419 1.00 3.37 H new ATOM 0 HZ PHE A 38 3.365 3.684 2.171 1.00 2.18 H new ATOM 590 N GLY A 39 0.840 10.894 1.335 1.00 1.58 N ATOM 591 CA GLY A 39 0.666 12.290 1.697 1.00 1.68 C ATOM 592 C GLY A 39 -0.579 12.431 2.560 1.00 1.63 C ATOM 593 O GLY A 39 -0.479 12.758 3.739 1.00 2.34 O ATOM 0 H GLY A 39 1.500 10.398 1.934 1.00 1.58 H new ATOM 0 HA2 GLY A 39 1.541 12.650 2.238 1.00 1.68 H new ATOM 0 HA3 GLY A 39 0.573 12.902 0.800 1.00 1.68 H new ATOM 597 N ALA A 40 -1.741 12.153 1.970 1.00 1.38 N ATOM 598 CA ALA A 40 -3.032 12.205 2.643 1.00 1.20 C ATOM 599 C ALA A 40 -4.089 11.632 1.703 1.00 0.99 C ATOM 600 O ALA A 40 -4.870 12.385 1.125 1.00 1.84 O ATOM 601 CB ALA A 40 -3.370 13.653 3.031 1.00 1.94 C ATOM 0 H ALA A 40 -1.809 11.880 0.990 1.00 1.38 H new ATOM 0 HA ALA A 40 -3.003 11.615 3.559 1.00 1.20 H new ATOM 0 HB1 ALA A 40 -4.337 13.679 3.533 1.00 1.94 H new ATOM 0 HB2 ALA A 40 -2.602 14.039 3.702 1.00 1.94 H new ATOM 0 HB3 ALA A 40 -3.411 14.270 2.133 1.00 1.94 H new ATOM 607 N SER A 41 -4.094 10.312 1.496 1.00 0.67 N ATOM 608 CA SER A 41 -5.033 9.669 0.589 1.00 1.23 C ATOM 609 C SER A 41 -5.216 8.192 0.957 1.00 0.66 C ATOM 610 O SER A 41 -5.710 7.889 2.043 1.00 0.58 O ATOM 611 CB SER A 41 -4.636 9.939 -0.874 1.00 2.30 C ATOM 612 OG SER A 41 -5.094 11.204 -1.306 1.00 2.88 O ATOM 0 H SER A 41 -3.449 9.667 1.952 1.00 0.67 H new ATOM 0 HA SER A 41 -6.025 10.107 0.699 1.00 1.23 H new ATOM 0 HB2 SER A 41 -3.552 9.889 -0.974 1.00 2.30 H new ATOM 0 HB3 SER A 41 -5.051 9.161 -1.515 1.00 2.30 H new ATOM 0 HG SER A 41 -5.113 11.822 -0.546 1.00 2.88 H new ATOM 618 N LYS A 42 -4.932 7.276 0.030 1.00 0.53 N ATOM 619 CA LYS A 42 -5.343 5.886 0.110 1.00 0.26 C ATOM 620 C LYS A 42 -4.496 5.034 -0.834 1.00 0.31 C ATOM 621 O LYS A 42 -3.823 5.568 -1.716 1.00 0.62 O ATOM 622 CB LYS A 42 -6.855 5.775 -0.133 1.00 0.74 C ATOM 623 CG LYS A 42 -7.338 6.380 -1.463 1.00 1.18 C ATOM 624 CD LYS A 42 -8.666 7.132 -1.276 1.00 1.89 C ATOM 625 CE LYS A 42 -9.779 6.235 -0.707 1.00 3.18 C ATOM 626 NZ LYS A 42 -10.993 6.993 -0.347 1.00 4.13 N ATOM 0 H LYS A 42 -4.398 7.491 -0.812 1.00 0.53 H new ATOM 0 HA LYS A 42 -5.166 5.492 1.111 1.00 0.26 H new ATOM 0 HB2 LYS A 42 -7.138 4.723 -0.104 1.00 0.74 H new ATOM 0 HB3 LYS A 42 -7.378 6.268 0.686 1.00 0.74 H new ATOM 0 HG2 LYS A 42 -6.582 7.062 -1.853 1.00 1.18 H new ATOM 0 HG3 LYS A 42 -7.465 5.589 -2.202 1.00 1.18 H new ATOM 0 HD2 LYS A 42 -8.509 7.978 -0.607 1.00 1.89 H new ATOM 0 HD3 LYS A 42 -8.987 7.539 -2.235 1.00 1.89 H new ATOM 0 HE2 LYS A 42 -10.036 5.472 -1.442 1.00 3.18 H new ATOM 0 HE3 LYS A 42 -9.405 5.715 0.175 1.00 3.18 H new ATOM 0 HZ1 LYS A 42 -11.512 6.485 0.398 1.00 4.13 H new ATOM 0 HZ2 LYS A 42 -10.724 7.935 0.000 1.00 4.13 H new ATOM 0 HZ3 LYS A 42 -11.601 7.094 -1.185 1.00 4.13 H new ATOM 640 N ILE A 43 -4.531 3.718 -0.651 1.00 0.20 N ATOM 641 CA ILE A 43 -3.782 2.747 -1.428 1.00 0.19 C ATOM 642 C ILE A 43 -4.780 1.794 -2.086 1.00 0.19 C ATOM 643 O ILE A 43 -5.476 1.043 -1.400 1.00 0.19 O ATOM 644 CB ILE A 43 -2.715 2.084 -0.530 1.00 0.22 C ATOM 645 CG1 ILE A 43 -1.866 1.005 -1.229 1.00 0.32 C ATOM 646 CG2 ILE A 43 -3.249 1.590 0.818 1.00 0.25 C ATOM 647 CD1 ILE A 43 -2.541 -0.337 -1.501 1.00 0.76 C ATOM 0 H ILE A 43 -5.106 3.286 0.072 1.00 0.20 H new ATOM 0 HA ILE A 43 -3.216 3.202 -2.241 1.00 0.19 H new ATOM 0 HB ILE A 43 -2.036 2.909 -0.314 1.00 0.22 H new ATOM 0 HG12 ILE A 43 -1.520 1.409 -2.180 1.00 0.32 H new ATOM 0 HG13 ILE A 43 -0.981 0.822 -0.619 1.00 0.32 H new ATOM 0 HG21 ILE A 43 -2.437 1.138 1.387 1.00 0.25 H new ATOM 0 HG22 ILE A 43 -3.660 2.431 1.377 1.00 0.25 H new ATOM 0 HG23 ILE A 43 -4.031 0.849 0.650 1.00 0.25 H new ATOM 0 HD11 ILE A 43 -1.836 -1.005 -1.996 1.00 0.76 H new ATOM 0 HD12 ILE A 43 -2.861 -0.781 -0.558 1.00 0.76 H new ATOM 0 HD13 ILE A 43 -3.408 -0.184 -2.143 1.00 0.76 H new ATOM 659 N THR A 44 -4.876 1.861 -3.417 1.00 0.27 N ATOM 660 CA THR A 44 -5.670 0.942 -4.217 1.00 0.31 C ATOM 661 C THR A 44 -4.835 -0.267 -4.587 1.00 0.33 C ATOM 662 O THR A 44 -3.635 -0.152 -4.811 1.00 0.34 O ATOM 663 CB THR A 44 -6.181 1.623 -5.484 1.00 0.40 C ATOM 664 OG1 THR A 44 -7.079 2.633 -5.135 1.00 0.56 O ATOM 665 CG2 THR A 44 -6.890 0.679 -6.468 1.00 0.37 C ATOM 0 H THR A 44 -4.394 2.569 -3.972 1.00 0.27 H new ATOM 0 HA THR A 44 -6.530 0.626 -3.626 1.00 0.31 H new ATOM 0 HB THR A 44 -5.296 2.010 -5.989 1.00 0.40 H new ATOM 0 HG1 THR A 44 -7.408 3.073 -5.946 1.00 0.56 H new ATOM 0 HG21 THR A 44 -7.221 1.244 -7.340 1.00 0.37 H new ATOM 0 HG22 THR A 44 -6.200 -0.103 -6.783 1.00 0.37 H new ATOM 0 HG23 THR A 44 -7.753 0.226 -5.980 1.00 0.37 H new ATOM 673 N VAL A 45 -5.509 -1.403 -4.694 1.00 0.42 N ATOM 674 CA VAL A 45 -4.986 -2.713 -5.024 1.00 0.42 C ATOM 675 C VAL A 45 -5.920 -3.274 -6.097 1.00 0.44 C ATOM 676 O VAL A 45 -7.136 -3.088 -6.016 1.00 0.48 O ATOM 677 CB VAL A 45 -5.021 -3.577 -3.757 1.00 0.54 C ATOM 678 CG1 VAL A 45 -4.501 -4.995 -4.009 1.00 0.48 C ATOM 679 CG2 VAL A 45 -4.206 -2.960 -2.615 1.00 1.05 C ATOM 0 H VAL A 45 -6.517 -1.430 -4.539 1.00 0.42 H new ATOM 0 HA VAL A 45 -3.959 -2.686 -5.388 1.00 0.42 H new ATOM 0 HB VAL A 45 -6.071 -3.624 -3.469 1.00 0.54 H new ATOM 0 HG11 VAL A 45 -4.545 -5.569 -3.083 1.00 0.48 H new ATOM 0 HG12 VAL A 45 -5.118 -5.480 -4.766 1.00 0.48 H new ATOM 0 HG13 VAL A 45 -3.469 -4.948 -4.358 1.00 0.48 H new ATOM 0 HG21 VAL A 45 -4.260 -3.606 -1.739 1.00 1.05 H new ATOM 0 HG22 VAL A 45 -3.166 -2.855 -2.925 1.00 1.05 H new ATOM 0 HG23 VAL A 45 -4.611 -1.979 -2.367 1.00 1.05 H new ATOM 689 N THR A 46 -5.381 -3.903 -7.142 1.00 0.46 N ATOM 690 CA THR A 46 -6.150 -4.470 -8.241 1.00 0.56 C ATOM 691 C THR A 46 -5.441 -5.704 -8.707 1.00 0.59 C ATOM 692 O THR A 46 -4.446 -5.624 -9.408 1.00 0.99 O ATOM 693 CB THR A 46 -6.299 -3.459 -9.383 1.00 0.60 C ATOM 694 OG1 THR A 46 -6.977 -2.404 -8.778 1.00 0.60 O ATOM 695 CG2 THR A 46 -7.155 -3.990 -10.536 1.00 0.74 C ATOM 0 H THR A 46 -4.375 -4.033 -7.246 1.00 0.46 H new ATOM 0 HA THR A 46 -7.156 -4.720 -7.905 1.00 0.56 H new ATOM 0 HB THR A 46 -5.332 -3.205 -9.818 1.00 0.60 H new ATOM 0 HG1 THR A 46 -7.124 -1.691 -9.434 1.00 0.60 H new ATOM 0 HG21 THR A 46 -7.226 -3.232 -11.316 1.00 0.74 H new ATOM 0 HG22 THR A 46 -6.696 -4.890 -10.946 1.00 0.74 H new ATOM 0 HG23 THR A 46 -8.153 -4.227 -10.169 1.00 0.74 H new ATOM 703 N GLY A 47 -5.922 -6.859 -8.303 1.00 0.44 N ATOM 704 CA GLY A 47 -5.234 -8.063 -8.710 1.00 0.43 C ATOM 705 C GLY A 47 -5.923 -9.280 -8.120 1.00 0.38 C ATOM 706 O GLY A 47 -6.985 -9.670 -8.591 1.00 0.48 O ATOM 0 H GLY A 47 -6.748 -6.990 -7.720 1.00 0.44 H new ATOM 0 HA2 GLY A 47 -5.221 -8.134 -9.798 1.00 0.43 H new ATOM 0 HA3 GLY A 47 -4.196 -8.027 -8.380 1.00 0.43 H new ATOM 710 N GLU A 48 -5.330 -9.829 -7.060 1.00 0.33 N ATOM 711 CA GLU A 48 -5.883 -10.900 -6.244 1.00 0.33 C ATOM 712 C GLU A 48 -5.111 -10.941 -4.914 1.00 0.39 C ATOM 713 O GLU A 48 -4.708 -11.997 -4.431 1.00 0.50 O ATOM 714 CB GLU A 48 -5.837 -12.231 -7.019 1.00 0.38 C ATOM 715 CG GLU A 48 -6.931 -13.203 -6.555 1.00 0.51 C ATOM 716 CD GLU A 48 -6.857 -14.531 -7.298 1.00 1.28 C ATOM 717 OE1 GLU A 48 -6.873 -14.487 -8.547 1.00 2.44 O ATOM 718 OE2 GLU A 48 -6.785 -15.569 -6.605 1.00 2.21 O ATOM 0 H GLU A 48 -4.412 -9.524 -6.736 1.00 0.33 H new ATOM 0 HA GLU A 48 -6.934 -10.722 -6.015 1.00 0.33 H new ATOM 0 HB2 GLU A 48 -5.954 -12.035 -8.085 1.00 0.38 H new ATOM 0 HB3 GLU A 48 -4.860 -12.695 -6.886 1.00 0.38 H new ATOM 0 HG2 GLU A 48 -6.831 -13.379 -5.484 1.00 0.51 H new ATOM 0 HG3 GLU A 48 -7.910 -12.751 -6.714 1.00 0.51 H new ATOM 725 N ALA A 49 -4.883 -9.762 -4.320 1.00 0.43 N ATOM 726 CA ALA A 49 -4.179 -9.602 -3.053 1.00 0.55 C ATOM 727 C ALA A 49 -4.919 -8.601 -2.168 1.00 0.42 C ATOM 728 O ALA A 49 -5.829 -7.912 -2.632 1.00 0.32 O ATOM 729 CB ALA A 49 -2.742 -9.143 -3.322 1.00 0.71 C ATOM 0 H ALA A 49 -5.192 -8.877 -4.721 1.00 0.43 H new ATOM 0 HA ALA A 49 -4.146 -10.557 -2.528 1.00 0.55 H new ATOM 0 HB1 ALA A 49 -2.215 -9.023 -2.375 1.00 0.71 H new ATOM 0 HB2 ALA A 49 -2.230 -9.888 -3.931 1.00 0.71 H new ATOM 0 HB3 ALA A 49 -2.757 -8.191 -3.852 1.00 0.71 H new ATOM 735 N SER A 50 -4.510 -8.516 -0.898 1.00 0.51 N ATOM 736 CA SER A 50 -5.103 -7.648 0.105 1.00 0.47 C ATOM 737 C SER A 50 -4.017 -6.875 0.833 1.00 0.40 C ATOM 738 O SER A 50 -2.830 -7.163 0.686 1.00 0.47 O ATOM 739 CB SER A 50 -5.900 -8.485 1.109 1.00 0.49 C ATOM 740 OG SER A 50 -7.125 -8.885 0.529 1.00 0.64 O ATOM 0 H SER A 50 -3.733 -9.069 -0.536 1.00 0.51 H new ATOM 0 HA SER A 50 -5.772 -6.943 -0.389 1.00 0.47 H new ATOM 0 HB2 SER A 50 -5.324 -9.361 1.405 1.00 0.49 H new ATOM 0 HB3 SER A 50 -6.087 -7.906 2.013 1.00 0.49 H new ATOM 0 HG SER A 50 -7.632 -9.422 1.173 1.00 0.64 H new ATOM 746 N ILE A 51 -4.435 -5.890 1.635 1.00 0.36 N ATOM 747 CA ILE A 51 -3.498 -5.007 2.281 1.00 0.35 C ATOM 748 C ILE A 51 -2.552 -5.738 3.215 1.00 0.32 C ATOM 749 O ILE A 51 -1.438 -5.274 3.357 1.00 0.40 O ATOM 750 CB ILE A 51 -4.213 -3.843 2.978 1.00 0.36 C ATOM 751 CG1 ILE A 51 -3.297 -2.631 3.023 1.00 0.46 C ATOM 752 CG2 ILE A 51 -4.686 -4.185 4.398 1.00 0.43 C ATOM 753 CD1 ILE A 51 -3.129 -1.946 1.663 1.00 1.74 C ATOM 0 H ILE A 51 -5.415 -5.696 1.843 1.00 0.36 H new ATOM 0 HA ILE A 51 -2.874 -4.582 1.495 1.00 0.35 H new ATOM 0 HB ILE A 51 -5.106 -3.627 2.391 1.00 0.36 H new ATOM 0 HG12 ILE A 51 -3.694 -1.911 3.738 1.00 0.46 H new ATOM 0 HG13 ILE A 51 -2.318 -2.938 3.391 1.00 0.46 H new ATOM 0 HG21 ILE A 51 -5.183 -3.319 4.834 1.00 0.43 H new ATOM 0 HG22 ILE A 51 -5.383 -5.022 4.358 1.00 0.43 H new ATOM 0 HG23 ILE A 51 -3.827 -4.458 5.012 1.00 0.43 H new ATOM 0 HD11 ILE A 51 -2.463 -1.089 1.767 1.00 1.74 H new ATOM 0 HD12 ILE A 51 -2.703 -2.652 0.950 1.00 1.74 H new ATOM 0 HD13 ILE A 51 -4.101 -1.609 1.303 1.00 1.74 H new ATOM 765 N GLN A 52 -2.959 -6.846 3.842 1.00 0.32 N ATOM 766 CA GLN A 52 -2.112 -7.629 4.744 1.00 0.35 C ATOM 767 C GLN A 52 -0.656 -7.688 4.257 1.00 0.36 C ATOM 768 O GLN A 52 0.269 -7.321 4.982 1.00 0.39 O ATOM 769 CB GLN A 52 -2.706 -9.037 4.897 1.00 0.41 C ATOM 770 CG GLN A 52 -4.015 -9.067 5.701 1.00 0.49 C ATOM 771 CD GLN A 52 -3.767 -8.988 7.206 1.00 1.71 C ATOM 772 OE1 GLN A 52 -3.726 -10.012 7.880 1.00 2.24 O ATOM 773 NE2 GLN A 52 -3.600 -7.786 7.749 1.00 2.75 N ATOM 0 H GLN A 52 -3.899 -7.228 3.735 1.00 0.32 H new ATOM 0 HA GLN A 52 -2.092 -7.138 5.717 1.00 0.35 H new ATOM 0 HB2 GLN A 52 -2.887 -9.455 3.907 1.00 0.41 H new ATOM 0 HB3 GLN A 52 -1.974 -9.680 5.386 1.00 0.41 H new ATOM 0 HG2 GLN A 52 -4.648 -8.234 5.394 1.00 0.49 H new ATOM 0 HG3 GLN A 52 -4.560 -9.983 5.471 1.00 0.49 H new ATOM 0 HE21 GLN A 52 -3.639 -6.952 7.163 1.00 2.75 H new ATOM 0 HE22 GLN A 52 -3.433 -7.698 8.751 1.00 2.75 H new ATOM 782 N GLN A 53 -0.454 -8.090 3.002 1.00 0.38 N ATOM 783 CA GLN A 53 0.877 -8.113 2.409 1.00 0.42 C ATOM 784 C GLN A 53 1.545 -6.725 2.391 1.00 0.38 C ATOM 785 O GLN A 53 2.713 -6.578 2.748 1.00 0.41 O ATOM 786 CB GLN A 53 0.804 -8.713 1.010 1.00 0.52 C ATOM 787 CG GLN A 53 0.351 -10.175 1.078 1.00 0.74 C ATOM 788 CD GLN A 53 -1.136 -10.310 0.789 1.00 1.85 C ATOM 789 OE1 GLN A 53 -1.985 -9.996 1.617 1.00 3.80 O ATOM 790 NE2 GLN A 53 -1.453 -10.771 -0.411 1.00 1.96 N ATOM 0 H GLN A 53 -1.198 -8.404 2.379 1.00 0.38 H new ATOM 0 HA GLN A 53 1.510 -8.741 3.036 1.00 0.42 H new ATOM 0 HB2 GLN A 53 0.109 -8.139 0.397 1.00 0.52 H new ATOM 0 HB3 GLN A 53 1.780 -8.650 0.529 1.00 0.52 H new ATOM 0 HG2 GLN A 53 0.918 -10.767 0.359 1.00 0.74 H new ATOM 0 HG3 GLN A 53 0.569 -10.579 2.066 1.00 0.74 H new ATOM 0 HE21 GLN A 53 -0.717 -11.021 -1.072 1.00 1.96 H new ATOM 0 HE22 GLN A 53 -2.433 -10.876 -0.675 1.00 1.96 H new ATOM 799 N VAL A 54 0.807 -5.699 1.960 1.00 0.34 N ATOM 800 CA VAL A 54 1.303 -4.328 1.863 1.00 0.34 C ATOM 801 C VAL A 54 1.675 -3.800 3.253 1.00 0.38 C ATOM 802 O VAL A 54 2.704 -3.154 3.421 1.00 0.44 O ATOM 803 CB VAL A 54 0.266 -3.413 1.173 1.00 0.35 C ATOM 804 CG1 VAL A 54 0.846 -2.010 0.944 1.00 0.38 C ATOM 805 CG2 VAL A 54 -0.232 -4.035 -0.141 1.00 0.34 C ATOM 0 H VAL A 54 -0.164 -5.801 1.665 1.00 0.34 H new ATOM 0 HA VAL A 54 2.202 -4.326 1.246 1.00 0.34 H new ATOM 0 HB VAL A 54 -0.594 -3.314 1.835 1.00 0.35 H new ATOM 0 HG11 VAL A 54 0.099 -1.383 0.457 1.00 0.38 H new ATOM 0 HG12 VAL A 54 1.121 -1.569 1.902 1.00 0.38 H new ATOM 0 HG13 VAL A 54 1.730 -2.081 0.310 1.00 0.38 H new ATOM 0 HG21 VAL A 54 -0.960 -3.370 -0.605 1.00 0.34 H new ATOM 0 HG22 VAL A 54 0.610 -4.179 -0.817 1.00 0.34 H new ATOM 0 HG23 VAL A 54 -0.700 -4.997 0.066 1.00 0.34 H new ATOM 815 N GLU A 55 0.831 -4.078 4.245 1.00 0.42 N ATOM 816 CA GLU A 55 0.972 -3.719 5.636 1.00 0.44 C ATOM 817 C GLU A 55 2.259 -4.343 6.176 1.00 0.36 C ATOM 818 O GLU A 55 3.123 -3.626 6.678 1.00 0.34 O ATOM 819 CB GLU A 55 -0.285 -4.208 6.367 1.00 0.55 C ATOM 820 CG GLU A 55 -0.365 -3.686 7.802 1.00 0.63 C ATOM 821 CD GLU A 55 -0.475 -4.839 8.790 1.00 1.70 C ATOM 822 OE1 GLU A 55 -1.618 -5.307 8.986 1.00 2.26 O ATOM 823 OE2 GLU A 55 0.591 -5.260 9.285 1.00 3.07 O ATOM 0 H GLU A 55 -0.029 -4.599 4.074 1.00 0.42 H new ATOM 0 HA GLU A 55 1.055 -2.642 5.784 1.00 0.44 H new ATOM 0 HB2 GLU A 55 -1.170 -3.888 5.817 1.00 0.55 H new ATOM 0 HB3 GLU A 55 -0.294 -5.298 6.379 1.00 0.55 H new ATOM 0 HG2 GLU A 55 0.520 -3.091 8.027 1.00 0.63 H new ATOM 0 HG3 GLU A 55 -1.227 -3.027 7.907 1.00 0.63 H new ATOM 830 N GLN A 56 2.420 -5.662 5.992 1.00 0.40 N ATOM 831 CA GLN A 56 3.654 -6.357 6.329 1.00 0.42 C ATOM 832 C GLN A 56 4.840 -5.633 5.695 1.00 0.37 C ATOM 833 O GLN A 56 5.797 -5.289 6.383 1.00 0.40 O ATOM 834 CB GLN A 56 3.582 -7.824 5.881 1.00 0.49 C ATOM 835 CG GLN A 56 4.812 -8.603 6.367 1.00 0.55 C ATOM 836 CD GLN A 56 4.846 -10.042 5.858 1.00 1.73 C ATOM 837 OE1 GLN A 56 3.897 -10.531 5.254 1.00 2.95 O ATOM 838 NE2 GLN A 56 5.957 -10.737 6.091 1.00 2.50 N ATOM 0 H GLN A 56 1.696 -6.268 5.606 1.00 0.40 H new ATOM 0 HA GLN A 56 3.790 -6.352 7.410 1.00 0.42 H new ATOM 0 HB2 GLN A 56 2.676 -8.285 6.274 1.00 0.49 H new ATOM 0 HB3 GLN A 56 3.520 -7.874 4.794 1.00 0.49 H new ATOM 0 HG2 GLN A 56 5.715 -8.087 6.041 1.00 0.55 H new ATOM 0 HG3 GLN A 56 4.824 -8.609 7.457 1.00 0.55 H new ATOM 0 HE21 GLN A 56 6.732 -10.306 6.596 1.00 2.50 H new ATOM 0 HE22 GLN A 56 6.034 -11.700 5.765 1.00 2.50 H new ATOM 847 N ALA A 57 4.787 -5.378 4.386 1.00 0.36 N ATOM 848 CA ALA A 57 5.847 -4.658 3.705 1.00 0.43 C ATOM 849 C ALA A 57 6.089 -3.292 4.367 1.00 0.41 C ATOM 850 O ALA A 57 7.231 -2.896 4.582 1.00 0.49 O ATOM 851 CB ALA A 57 5.515 -4.550 2.214 1.00 0.59 C ATOM 0 H ALA A 57 4.016 -5.663 3.782 1.00 0.36 H new ATOM 0 HA ALA A 57 6.784 -5.207 3.792 1.00 0.43 H new ATOM 0 HB1 ALA A 57 6.311 -4.009 1.702 1.00 0.59 H new ATOM 0 HB2 ALA A 57 5.423 -5.549 1.788 1.00 0.59 H new ATOM 0 HB3 ALA A 57 4.574 -4.015 2.089 1.00 0.59 H new ATOM 857 N GLY A 58 5.012 -2.598 4.741 1.00 0.41 N ATOM 858 CA GLY A 58 5.005 -1.326 5.437 1.00 0.45 C ATOM 859 C GLY A 58 5.630 -1.380 6.829 1.00 0.45 C ATOM 860 O GLY A 58 5.826 -0.329 7.441 1.00 0.38 O ATOM 0 H GLY A 58 4.069 -2.936 4.551 1.00 0.41 H new ATOM 0 HA2 GLY A 58 5.542 -0.591 4.837 1.00 0.45 H new ATOM 0 HA3 GLY A 58 3.976 -0.976 5.524 1.00 0.45 H new ATOM 864 N ALA A 59 5.996 -2.566 7.331 1.00 0.57 N ATOM 865 CA ALA A 59 6.764 -2.707 8.559 1.00 0.55 C ATOM 866 C ALA A 59 7.985 -1.784 8.583 1.00 0.53 C ATOM 867 O ALA A 59 8.427 -1.419 9.666 1.00 0.55 O ATOM 868 CB ALA A 59 7.186 -4.163 8.766 1.00 0.69 C ATOM 0 H ALA A 59 5.763 -3.455 6.889 1.00 0.57 H new ATOM 0 HA ALA A 59 6.116 -2.408 9.382 1.00 0.55 H new ATOM 0 HB1 ALA A 59 7.759 -4.248 9.689 1.00 0.69 H new ATOM 0 HB2 ALA A 59 6.299 -4.793 8.830 1.00 0.69 H new ATOM 0 HB3 ALA A 59 7.801 -4.487 7.926 1.00 0.69 H new ATOM 874 N PHE A 60 8.514 -1.371 7.423 1.00 0.54 N ATOM 875 CA PHE A 60 9.594 -0.394 7.374 1.00 0.57 C ATOM 876 C PHE A 60 9.273 0.915 8.124 1.00 0.50 C ATOM 877 O PHE A 60 10.182 1.479 8.726 1.00 0.59 O ATOM 878 CB PHE A 60 10.075 -0.165 5.931 1.00 0.61 C ATOM 879 CG PHE A 60 9.101 0.507 4.978 1.00 0.48 C ATOM 880 CD1 PHE A 60 8.940 1.902 5.027 1.00 2.09 C ATOM 881 CD2 PHE A 60 8.512 -0.215 3.923 1.00 1.68 C ATOM 882 CE1 PHE A 60 8.127 2.559 4.087 1.00 2.04 C ATOM 883 CE2 PHE A 60 7.710 0.443 2.973 1.00 1.77 C ATOM 884 CZ PHE A 60 7.510 1.831 3.059 1.00 0.52 C ATOM 0 H PHE A 60 8.206 -1.703 6.509 1.00 0.54 H new ATOM 0 HA PHE A 60 10.431 -0.824 7.924 1.00 0.57 H new ATOM 0 HB2 PHE A 60 10.983 0.437 5.968 1.00 0.61 H new ATOM 0 HB3 PHE A 60 10.350 -1.131 5.508 1.00 0.61 H new ATOM 0 HD1 PHE A 60 9.444 2.473 5.792 1.00 2.09 H new ATOM 0 HD2 PHE A 60 8.677 -1.279 3.843 1.00 1.68 H new ATOM 0 HE1 PHE A 60 7.977 3.626 4.156 1.00 2.04 H new ATOM 0 HE2 PHE A 60 7.247 -0.120 2.176 1.00 1.77 H new ATOM 0 HZ PHE A 60 6.884 2.335 2.337 1.00 0.52 H new ATOM 894 N GLU A 61 8.019 1.394 8.094 1.00 0.41 N ATOM 895 CA GLU A 61 7.582 2.593 8.828 1.00 0.41 C ATOM 896 C GLU A 61 6.425 2.314 9.807 1.00 0.37 C ATOM 897 O GLU A 61 6.045 3.206 10.562 1.00 0.53 O ATOM 898 CB GLU A 61 7.217 3.736 7.861 1.00 0.54 C ATOM 899 CG GLU A 61 8.430 4.522 7.335 1.00 0.97 C ATOM 900 CD GLU A 61 8.257 6.025 7.521 1.00 1.13 C ATOM 901 OE1 GLU A 61 8.598 6.506 8.622 1.00 2.35 O ATOM 902 OE2 GLU A 61 7.785 6.662 6.551 1.00 2.14 O ATOM 0 H GLU A 61 7.273 0.956 7.554 1.00 0.41 H new ATOM 0 HA GLU A 61 8.433 2.906 9.433 1.00 0.41 H new ATOM 0 HB2 GLU A 61 6.671 3.321 7.014 1.00 0.54 H new ATOM 0 HB3 GLU A 61 6.542 4.426 8.368 1.00 0.54 H new ATOM 0 HG2 GLU A 61 9.329 4.193 7.855 1.00 0.97 H new ATOM 0 HG3 GLU A 61 8.575 4.301 6.277 1.00 0.97 H new ATOM 909 N HIS A 62 5.860 1.101 9.819 1.00 0.29 N ATOM 910 CA HIS A 62 4.806 0.693 10.748 1.00 0.31 C ATOM 911 C HIS A 62 3.492 1.442 10.450 1.00 0.31 C ATOM 912 O HIS A 62 2.950 2.135 11.312 1.00 0.37 O ATOM 913 CB HIS A 62 5.237 0.872 12.222 1.00 0.38 C ATOM 914 CG HIS A 62 6.664 0.521 12.584 1.00 0.44 C ATOM 915 ND1 HIS A 62 7.499 -0.377 11.958 1.00 0.54 N ATOM 916 CD2 HIS A 62 7.375 1.076 13.616 1.00 0.65 C ATOM 917 CE1 HIS A 62 8.677 -0.361 12.601 1.00 0.79 C ATOM 918 NE2 HIS A 62 8.650 0.504 13.626 1.00 0.88 N ATOM 0 H HIS A 62 6.130 0.363 9.169 1.00 0.29 H new ATOM 0 HA HIS A 62 4.628 -0.372 10.597 1.00 0.31 H new ATOM 0 HB2 HIS A 62 5.067 1.913 12.497 1.00 0.38 H new ATOM 0 HB3 HIS A 62 4.575 0.267 12.841 1.00 0.38 H new ATOM 0 HD1 HIS A 62 7.264 -0.952 11.149 1.00 0.54 H new ATOM 0 HD2 HIS A 62 7.012 1.826 14.303 1.00 0.65 H new ATOM 0 HE1 HIS A 62 9.531 -0.963 12.330 1.00 0.79 H new ATOM 926 N LEU A 63 2.967 1.317 9.225 1.00 0.30 N ATOM 927 CA LEU A 63 1.759 2.048 8.839 1.00 0.31 C ATOM 928 C LEU A 63 0.495 1.350 9.363 1.00 0.34 C ATOM 929 O LEU A 63 0.567 0.228 9.856 1.00 0.49 O ATOM 930 CB LEU A 63 1.715 2.276 7.322 1.00 0.34 C ATOM 931 CG LEU A 63 2.916 3.050 6.746 1.00 0.49 C ATOM 932 CD1 LEU A 63 3.300 4.289 7.565 1.00 1.16 C ATOM 933 CD2 LEU A 63 4.162 2.183 6.562 1.00 1.10 C ATOM 0 H LEU A 63 3.356 0.723 8.493 1.00 0.30 H new ATOM 0 HA LEU A 63 1.791 3.032 9.308 1.00 0.31 H new ATOM 0 HB2 LEU A 63 1.654 1.308 6.826 1.00 0.34 H new ATOM 0 HB3 LEU A 63 0.801 2.818 7.077 1.00 0.34 H new ATOM 0 HG LEU A 63 2.561 3.375 5.768 1.00 0.49 H new ATOM 0 HD11 LEU A 63 4.153 4.783 7.099 1.00 1.16 H new ATOM 0 HD12 LEU A 63 2.456 4.978 7.600 1.00 1.16 H new ATOM 0 HD13 LEU A 63 3.564 3.988 8.579 1.00 1.16 H new ATOM 0 HD21 LEU A 63 4.970 2.790 6.153 1.00 1.10 H new ATOM 0 HD22 LEU A 63 4.467 1.775 7.526 1.00 1.10 H new ATOM 0 HD23 LEU A 63 3.939 1.366 5.876 1.00 1.10 H new ATOM 945 N LYS A 64 -0.662 2.028 9.283 1.00 0.35 N ATOM 946 CA LYS A 64 -1.911 1.593 9.909 1.00 0.38 C ATOM 947 C LYS A 64 -3.065 1.697 8.907 1.00 0.54 C ATOM 948 O LYS A 64 -3.961 2.528 9.024 1.00 1.17 O ATOM 949 CB LYS A 64 -2.164 2.357 11.222 1.00 0.40 C ATOM 950 CG LYS A 64 -2.261 3.889 11.096 1.00 0.47 C ATOM 951 CD LYS A 64 -0.915 4.617 11.138 1.00 1.77 C ATOM 952 CE LYS A 64 -0.434 4.832 12.583 1.00 2.68 C ATOM 953 NZ LYS A 64 0.829 5.598 12.642 1.00 4.23 N ATOM 0 H LYS A 64 -0.752 2.907 8.773 1.00 0.35 H new ATOM 0 HA LYS A 64 -1.833 0.542 10.189 1.00 0.38 H new ATOM 0 HB2 LYS A 64 -3.090 1.988 11.663 1.00 0.40 H new ATOM 0 HB3 LYS A 64 -1.361 2.118 11.920 1.00 0.40 H new ATOM 0 HG2 LYS A 64 -2.762 4.133 10.159 1.00 0.47 H new ATOM 0 HG3 LYS A 64 -2.890 4.268 11.902 1.00 0.47 H new ATOM 0 HD2 LYS A 64 -0.171 4.040 10.588 1.00 1.77 H new ATOM 0 HD3 LYS A 64 -1.006 5.581 10.637 1.00 1.77 H new ATOM 0 HE2 LYS A 64 -1.204 5.360 13.146 1.00 2.68 H new ATOM 0 HE3 LYS A 64 -0.293 3.865 13.065 1.00 2.68 H new ATOM 0 HZ1 LYS A 64 1.116 5.719 13.634 1.00 4.23 H new ATOM 0 HZ2 LYS A 64 1.572 5.083 12.127 1.00 4.23 H new ATOM 0 HZ3 LYS A 64 0.689 6.532 12.206 1.00 4.23 H new ATOM 967 N ILE A 65 -3.018 0.844 7.891 1.00 0.33 N ATOM 968 CA ILE A 65 -3.934 0.897 6.756 1.00 0.31 C ATOM 969 C ILE A 65 -5.262 0.212 7.111 1.00 0.38 C ATOM 970 O ILE A 65 -5.253 -0.824 7.772 1.00 0.52 O ATOM 971 CB ILE A 65 -3.306 0.258 5.500 1.00 0.32 C ATOM 972 CG1 ILE A 65 -1.779 0.420 5.440 1.00 0.35 C ATOM 973 CG2 ILE A 65 -4.023 0.790 4.257 1.00 0.33 C ATOM 974 CD1 ILE A 65 -1.122 -0.039 4.145 1.00 0.53 C ATOM 0 H ILE A 65 -2.336 0.088 7.830 1.00 0.33 H new ATOM 0 HA ILE A 65 -4.133 1.944 6.529 1.00 0.31 H new ATOM 0 HB ILE A 65 -3.453 -0.821 5.546 1.00 0.32 H new ATOM 0 HG12 ILE A 65 -1.536 1.471 5.598 1.00 0.35 H new ATOM 0 HG13 ILE A 65 -1.339 -0.137 6.267 1.00 0.35 H new ATOM 0 HG21 ILE A 65 -3.585 0.343 3.365 1.00 0.33 H new ATOM 0 HG22 ILE A 65 -5.081 0.533 4.309 1.00 0.33 H new ATOM 0 HG23 ILE A 65 -3.915 1.874 4.210 1.00 0.33 H new ATOM 0 HD11 ILE A 65 -0.045 0.119 4.207 1.00 0.53 H new ATOM 0 HD12 ILE A 65 -1.325 -1.099 3.990 1.00 0.53 H new ATOM 0 HD13 ILE A 65 -1.525 0.534 3.310 1.00 0.53 H new ATOM 986 N ILE A 66 -6.399 0.784 6.686 1.00 0.42 N ATOM 987 CA ILE A 66 -7.740 0.325 7.055 1.00 0.47 C ATOM 988 C ILE A 66 -8.601 0.145 5.789 1.00 0.38 C ATOM 989 O ILE A 66 -8.611 1.037 4.938 1.00 0.34 O ATOM 990 CB ILE A 66 -8.377 1.336 8.034 1.00 0.55 C ATOM 991 CG1 ILE A 66 -7.463 1.548 9.259 1.00 0.70 C ATOM 992 CG2 ILE A 66 -9.768 0.865 8.487 1.00 0.66 C ATOM 993 CD1 ILE A 66 -8.034 2.523 10.293 1.00 1.18 C ATOM 0 H ILE A 66 -6.408 1.593 6.065 1.00 0.42 H new ATOM 0 HA ILE A 66 -7.677 -0.642 7.554 1.00 0.47 H new ATOM 0 HB ILE A 66 -8.492 2.285 7.510 1.00 0.55 H new ATOM 0 HG12 ILE A 66 -7.286 0.586 9.739 1.00 0.70 H new ATOM 0 HG13 ILE A 66 -6.496 1.918 8.919 1.00 0.70 H new ATOM 0 HG21 ILE A 66 -10.193 1.595 9.175 1.00 0.66 H new ATOM 0 HG22 ILE A 66 -10.419 0.764 7.618 1.00 0.66 H new ATOM 0 HG23 ILE A 66 -9.680 -0.099 8.989 1.00 0.66 H new ATOM 0 HD11 ILE A 66 -7.336 2.621 11.125 1.00 1.18 H new ATOM 0 HD12 ILE A 66 -8.185 3.498 9.829 1.00 1.18 H new ATOM 0 HD13 ILE A 66 -8.987 2.145 10.662 1.00 1.18 H new ATOM 1005 N PRO A 67 -9.335 -0.975 5.635 1.00 0.42 N ATOM 1006 CA PRO A 67 -10.218 -1.207 4.496 1.00 0.49 C ATOM 1007 C PRO A 67 -11.454 -0.302 4.547 1.00 0.59 C ATOM 1008 O PRO A 67 -12.509 -0.696 5.045 1.00 0.89 O ATOM 1009 CB PRO A 67 -10.595 -2.692 4.561 1.00 0.61 C ATOM 1010 CG PRO A 67 -10.495 -3.017 6.049 1.00 0.60 C ATOM 1011 CD PRO A 67 -9.343 -2.131 6.521 1.00 0.52 C ATOM 0 HA PRO A 67 -9.726 -0.966 3.554 1.00 0.49 H new ATOM 0 HB2 PRO A 67 -11.600 -2.869 4.178 1.00 0.61 H new ATOM 0 HB3 PRO A 67 -9.916 -3.305 3.969 1.00 0.61 H new ATOM 0 HG2 PRO A 67 -11.422 -2.787 6.575 1.00 0.60 H new ATOM 0 HG3 PRO A 67 -10.286 -4.073 6.218 1.00 0.60 H new ATOM 0 HD2 PRO A 67 -9.485 -1.827 7.558 1.00 0.52 H new ATOM 0 HD3 PRO A 67 -8.395 -2.666 6.473 1.00 0.52 H new ATOM 1019 N GLU A 68 -11.342 0.905 3.989 1.00 0.55 N ATOM 1020 CA GLU A 68 -12.447 1.798 3.757 1.00 0.75 C ATOM 1021 C GLU A 68 -13.379 1.187 2.702 1.00 1.57 C ATOM 1022 O GLU A 68 -13.189 1.366 1.500 1.00 3.05 O ATOM 1023 CB GLU A 68 -11.841 3.142 3.341 1.00 1.11 C ATOM 1024 CG GLU A 68 -12.925 4.182 3.113 1.00 2.00 C ATOM 1025 CD GLU A 68 -12.338 5.535 2.748 1.00 2.52 C ATOM 1026 OE1 GLU A 68 -11.727 5.609 1.660 1.00 3.10 O ATOM 1027 OE2 GLU A 68 -12.476 6.479 3.552 1.00 3.18 O ATOM 0 H GLU A 68 -10.447 1.287 3.682 1.00 0.55 H new ATOM 0 HA GLU A 68 -13.064 1.955 4.642 1.00 0.75 H new ATOM 0 HB2 GLU A 68 -11.155 3.490 4.113 1.00 1.11 H new ATOM 0 HB3 GLU A 68 -11.257 3.015 2.430 1.00 1.11 H new ATOM 0 HG2 GLU A 68 -13.589 3.847 2.316 1.00 2.00 H new ATOM 0 HG3 GLU A 68 -13.531 4.279 4.014 1.00 2.00 H new ATOM 1034 N LYS A 69 -14.390 0.451 3.163 1.00 1.48 N ATOM 1035 CA LYS A 69 -15.525 0.065 2.338 1.00 2.06 C ATOM 1036 C LYS A 69 -16.300 1.307 1.884 1.00 2.87 C ATOM 1037 O LYS A 69 -16.202 2.373 2.491 1.00 3.51 O ATOM 1038 CB LYS A 69 -16.420 -0.909 3.120 1.00 2.37 C ATOM 1039 CG LYS A 69 -15.868 -2.340 3.045 1.00 3.07 C ATOM 1040 CD LYS A 69 -16.677 -3.152 2.022 1.00 3.88 C ATOM 1041 CE LYS A 69 -16.016 -4.507 1.728 1.00 5.03 C ATOM 1042 NZ LYS A 69 -16.894 -5.382 0.924 1.00 5.75 N ATOM 0 H LYS A 69 -14.441 0.107 4.122 1.00 1.48 H new ATOM 0 HA LYS A 69 -15.171 -0.443 1.441 1.00 2.06 H new ATOM 0 HB2 LYS A 69 -16.484 -0.594 4.161 1.00 2.37 H new ATOM 0 HB3 LYS A 69 -17.432 -0.884 2.716 1.00 2.37 H new ATOM 0 HG2 LYS A 69 -14.816 -2.320 2.759 1.00 3.07 H new ATOM 0 HG3 LYS A 69 -15.923 -2.813 4.025 1.00 3.07 H new ATOM 0 HD2 LYS A 69 -17.686 -3.313 2.400 1.00 3.88 H new ATOM 0 HD3 LYS A 69 -16.770 -2.583 1.097 1.00 3.88 H new ATOM 0 HE2 LYS A 69 -15.078 -4.346 1.197 1.00 5.03 H new ATOM 0 HE3 LYS A 69 -15.770 -5.003 2.667 1.00 5.03 H new ATOM 0 HZ1 LYS A 69 -16.413 -6.287 0.746 1.00 5.75 H new ATOM 0 HZ2 LYS A 69 -17.779 -5.556 1.442 1.00 5.75 H new ATOM 0 HZ3 LYS A 69 -17.109 -4.920 0.017 1.00 5.75 H new ATOM 1056 N GLU A 70 -17.061 1.144 0.799 1.00 3.73 N ATOM 1057 CA GLU A 70 -17.870 2.169 0.165 1.00 4.90 C ATOM 1058 C GLU A 70 -19.325 1.716 0.286 1.00 5.44 C ATOM 1059 O GLU A 70 -19.610 0.553 -0.006 1.00 5.89 O ATOM 1060 CB GLU A 70 -17.421 2.265 -1.302 1.00 6.02 C ATOM 1061 CG GLU A 70 -17.979 3.480 -2.052 1.00 7.09 C ATOM 1062 CD GLU A 70 -17.600 3.444 -3.532 1.00 8.38 C ATOM 1063 OE1 GLU A 70 -16.575 2.799 -3.855 1.00 9.10 O ATOM 1064 OE2 GLU A 70 -18.351 4.054 -4.321 1.00 9.12 O ATOM 0 H GLU A 70 -17.128 0.246 0.321 1.00 3.73 H new ATOM 0 HA GLU A 70 -17.763 3.152 0.624 1.00 4.90 H new ATOM 0 HB2 GLU A 70 -16.332 2.300 -1.335 1.00 6.02 H new ATOM 0 HB3 GLU A 70 -17.727 1.358 -1.824 1.00 6.02 H new ATOM 0 HG2 GLU A 70 -19.064 3.503 -1.953 1.00 7.09 H new ATOM 0 HG3 GLU A 70 -17.598 4.395 -1.599 1.00 7.09 H new ATOM 1071 N ALA A 71 -20.211 2.623 0.711 1.00 6.02 N ATOM 1072 CA ALA A 71 -21.602 2.337 1.041 1.00 6.98 C ATOM 1073 C ALA A 71 -21.701 1.272 2.140 1.00 7.08 C ATOM 1074 O ALA A 71 -22.693 0.511 2.122 1.00 7.78 O ATOM 1075 CB ALA A 71 -22.395 1.975 -0.223 1.00 8.16 C ATOM 1076 OXT ALA A 71 -20.793 1.258 3.002 1.00 7.04 O ATOM 0 H ALA A 71 -19.967 3.605 0.837 1.00 6.02 H new ATOM 0 HA ALA A 71 -22.060 3.238 1.450 1.00 6.98 H new ATOM 0 HB1 ALA A 71 -23.431 1.765 0.045 1.00 8.16 H new ATOM 0 HB2 ALA A 71 -22.363 2.809 -0.924 1.00 8.16 H new ATOM 0 HB3 ALA A 71 -21.955 1.093 -0.689 1.00 8.16 H new TER 1082 ALA A 71