USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 494 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 24 MET CE :methyl -124:sc= -1.85 (180deg=-4.63!) USER MOD Set 1.2: A 26 MET CE :methyl 148:sc= -1.29 (180deg=-2.2!) USER MOD Set 1.3: A 51 TYR OH : rot 180:sc= -0.528 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN :FLIP amide:sc= 0.0389 F(o=-1.6,f=0.039) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.795! C(o=-0.79!,f=-3.3!) USER MOD Single : A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= -0.405 (180deg=-0.477) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.91! C(o=-1.9!,f=-7.1!) USER MOD Single : A 56 THR OG1 : rot 28:sc= -3.92! USER MOD Single : A 60 ASN : amide:sc= -6.97! C(o=-7!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 66.687 46.990 -24.609 1.00 1.26 N ATOM 2 CA LEU A 1 66.412 47.002 -26.074 1.00 0.65 C ATOM 3 C LEU A 1 64.927 46.738 -26.337 1.00 0.58 C ATOM 4 O LEU A 1 64.363 45.777 -25.856 1.00 0.77 O ATOM 5 CB LEU A 1 67.261 45.867 -26.637 1.00 1.19 C ATOM 6 CG LEU A 1 67.923 46.306 -27.941 1.00 1.07 C ATOM 7 CD1 LEU A 1 66.850 46.705 -28.957 1.00 1.38 C ATOM 8 CD2 LEU A 1 68.838 47.500 -27.672 1.00 1.53 C ATOM 0 H1 LEU A 1 67.698 47.170 -24.444 1.00 1.26 H new ATOM 0 H2 LEU A 1 66.123 47.730 -24.144 1.00 1.26 H new ATOM 0 H3 LEU A 1 66.432 46.062 -24.216 1.00 1.26 H new ATOM 0 HA LEU A 1 66.649 47.962 -26.533 1.00 0.65 H new ATOM 0 HB2 LEU A 1 68.022 45.578 -25.913 1.00 1.19 H new ATOM 0 HB3 LEU A 1 66.639 44.989 -26.813 1.00 1.19 H new ATOM 0 HG LEU A 1 68.510 45.480 -28.342 1.00 1.07 H new ATOM 0 HD11 LEU A 1 67.327 47.018 -29.886 1.00 1.38 H new ATOM 0 HD12 LEU A 1 66.199 45.853 -29.152 1.00 1.38 H new ATOM 0 HD13 LEU A 1 66.259 47.529 -28.557 1.00 1.38 H new ATOM 0 HD21 LEU A 1 69.311 47.813 -28.603 1.00 1.53 H new ATOM 0 HD22 LEU A 1 68.251 48.325 -27.268 1.00 1.53 H new ATOM 0 HD23 LEU A 1 69.606 47.215 -26.953 1.00 1.53 H new ATOM 22 N LYS A 2 64.297 47.580 -27.107 1.00 0.45 N ATOM 23 CA LYS A 2 62.853 47.377 -27.420 1.00 0.53 C ATOM 24 C LYS A 2 62.551 47.938 -28.812 1.00 0.43 C ATOM 25 O LYS A 2 63.129 48.921 -29.227 1.00 0.59 O ATOM 26 CB LYS A 2 62.087 48.142 -26.330 1.00 0.71 C ATOM 27 CG LYS A 2 62.280 49.652 -26.506 1.00 1.14 C ATOM 28 CD LYS A 2 63.558 50.098 -25.794 1.00 1.23 C ATOM 29 CE LYS A 2 63.618 51.627 -25.762 1.00 1.98 C ATOM 30 NZ LYS A 2 64.349 51.955 -24.507 1.00 2.63 N ATOM 0 H LYS A 2 64.720 48.403 -27.535 1.00 0.45 H new ATOM 0 HA LYS A 2 62.567 46.325 -27.431 1.00 0.53 H new ATOM 0 HB2 LYS A 2 61.026 47.896 -26.380 1.00 0.71 H new ATOM 0 HB3 LYS A 2 62.439 47.836 -25.345 1.00 0.71 H new ATOM 0 HG2 LYS A 2 62.338 49.899 -27.566 1.00 1.14 H new ATOM 0 HG3 LYS A 2 61.421 50.187 -26.101 1.00 1.14 H new ATOM 0 HD2 LYS A 2 63.579 49.701 -24.779 1.00 1.23 H new ATOM 0 HD3 LYS A 2 64.432 49.700 -26.310 1.00 1.23 H new ATOM 0 HE2 LYS A 2 64.137 52.020 -26.636 1.00 1.98 H new ATOM 0 HE3 LYS A 2 62.618 52.062 -25.762 1.00 1.98 H new ATOM 0 HZ1 LYS A 2 64.431 52.987 -24.413 1.00 2.63 H new ATOM 0 HZ2 LYS A 2 63.828 51.573 -23.692 1.00 2.63 H new ATOM 0 HZ3 LYS A 2 65.299 51.533 -24.538 1.00 2.63 H new ATOM 44 N CYS A 3 61.661 47.319 -29.540 1.00 0.40 N ATOM 45 CA CYS A 3 61.339 47.822 -30.909 1.00 0.40 C ATOM 46 C CYS A 3 59.857 48.176 -31.018 1.00 0.40 C ATOM 47 O CYS A 3 59.027 47.628 -30.320 1.00 0.44 O ATOM 48 CB CYS A 3 61.668 46.662 -31.848 1.00 0.54 C ATOM 49 SG CYS A 3 63.423 46.250 -31.694 1.00 0.68 S ATOM 0 H CYS A 3 61.144 46.490 -29.248 1.00 0.40 H new ATOM 0 HA CYS A 3 61.902 48.724 -31.150 1.00 0.40 H new ATOM 0 HB2 CYS A 3 61.056 45.794 -31.602 1.00 0.54 H new ATOM 0 HB3 CYS A 3 61.435 46.935 -32.877 1.00 0.54 H new ATOM 54 N ASN A 4 59.516 49.075 -31.899 1.00 0.43 N ATOM 55 CA ASN A 4 58.084 49.441 -32.054 1.00 0.49 C ATOM 56 C ASN A 4 57.262 48.163 -32.224 1.00 0.49 C ATOM 57 O ASN A 4 57.729 47.189 -32.780 1.00 0.55 O ATOM 58 CB ASN A 4 58.021 50.291 -33.324 1.00 0.60 C ATOM 59 CG ASN A 4 58.002 51.779 -32.963 1.00 0.99 C ATOM 60 OD1 ASN A 4 59.102 52.358 -32.568 1.00 1.93 O flip ATOM 61 ND2 ASN A 4 56.973 52.421 -33.043 1.00 1.09 N flip ATOM 0 H ASN A 4 60.163 49.568 -32.514 1.00 0.43 H new ATOM 0 HA ASN A 4 57.689 49.982 -31.194 1.00 0.49 H new ATOM 0 HB2 ASN A 4 58.880 50.074 -33.959 1.00 0.60 H new ATOM 0 HB3 ASN A 4 57.129 50.037 -33.897 1.00 0.60 H new ATOM 0 HD21 ASN A 4 56.112 51.969 -33.352 1.00 1.09 H new ATOM 0 HD22 ASN A 4 56.970 53.412 -32.801 1.00 1.09 H new ATOM 68 N LYS A 5 56.045 48.149 -31.757 1.00 0.52 N ATOM 69 CA LYS A 5 55.226 46.919 -31.903 1.00 0.60 C ATOM 70 C LYS A 5 54.454 46.982 -33.209 1.00 0.71 C ATOM 71 O LYS A 5 54.401 48.004 -33.859 1.00 1.48 O ATOM 72 CB LYS A 5 54.254 46.928 -30.722 1.00 0.68 C ATOM 73 CG LYS A 5 54.679 45.870 -29.713 1.00 1.03 C ATOM 74 CD LYS A 5 54.099 44.516 -30.125 1.00 1.48 C ATOM 75 CE LYS A 5 53.098 44.045 -29.068 1.00 1.84 C ATOM 76 NZ LYS A 5 52.019 43.366 -29.841 1.00 2.49 N ATOM 0 H LYS A 5 55.587 48.929 -31.285 1.00 0.52 H new ATOM 0 HA LYS A 5 55.837 46.016 -31.914 1.00 0.60 H new ATOM 0 HB2 LYS A 5 54.243 47.912 -30.252 1.00 0.68 H new ATOM 0 HB3 LYS A 5 53.240 46.730 -31.069 1.00 0.68 H new ATOM 0 HG2 LYS A 5 55.766 45.813 -29.665 1.00 1.03 H new ATOM 0 HG3 LYS A 5 54.329 46.140 -28.717 1.00 1.03 H new ATOM 0 HD2 LYS A 5 53.608 44.599 -31.095 1.00 1.48 H new ATOM 0 HD3 LYS A 5 54.899 43.784 -30.235 1.00 1.48 H new ATOM 0 HE2 LYS A 5 53.565 43.363 -28.357 1.00 1.84 H new ATOM 0 HE3 LYS A 5 52.705 44.884 -28.494 1.00 1.84 H new ATOM 0 HZ1 LYS A 5 51.292 43.014 -29.186 1.00 2.49 H new ATOM 0 HZ2 LYS A 5 51.589 44.042 -30.504 1.00 2.49 H new ATOM 0 HZ3 LYS A 5 52.422 42.568 -30.372 1.00 2.49 H new ATOM 90 N LEU A 6 53.851 45.904 -33.604 1.00 0.53 N ATOM 91 CA LEU A 6 53.087 45.939 -34.867 1.00 0.57 C ATOM 92 C LEU A 6 52.164 47.157 -34.847 1.00 0.62 C ATOM 93 O LEU A 6 51.872 47.753 -35.864 1.00 0.72 O ATOM 94 CB LEU A 6 52.283 44.645 -34.880 1.00 0.59 C ATOM 95 CG LEU A 6 52.001 44.192 -36.316 1.00 0.70 C ATOM 96 CD1 LEU A 6 50.656 43.467 -36.358 1.00 1.22 C ATOM 97 CD2 LEU A 6 51.950 45.387 -37.278 1.00 0.78 C ATOM 0 H LEU A 6 53.854 45.010 -33.112 1.00 0.53 H new ATOM 0 HA LEU A 6 53.719 46.017 -35.752 1.00 0.57 H new ATOM 0 HB2 LEU A 6 52.831 43.866 -34.350 1.00 0.59 H new ATOM 0 HB3 LEU A 6 51.342 44.791 -34.349 1.00 0.59 H new ATOM 0 HG LEU A 6 52.807 43.529 -36.629 1.00 0.70 H new ATOM 0 HD11 LEU A 6 50.450 43.142 -37.378 1.00 1.22 H new ATOM 0 HD12 LEU A 6 50.690 42.598 -35.700 1.00 1.22 H new ATOM 0 HD13 LEU A 6 49.868 44.143 -36.026 1.00 1.22 H new ATOM 0 HD21 LEU A 6 51.748 45.032 -38.289 1.00 0.78 H new ATOM 0 HD22 LEU A 6 51.159 46.070 -36.968 1.00 0.78 H new ATOM 0 HD23 LEU A 6 52.907 45.909 -37.261 1.00 0.78 H new ATOM 109 N VAL A 7 51.714 47.536 -33.683 1.00 0.61 N ATOM 110 CA VAL A 7 50.817 48.729 -33.578 1.00 0.71 C ATOM 111 C VAL A 7 51.654 49.976 -33.251 1.00 0.70 C ATOM 112 O VAL A 7 52.645 49.882 -32.553 1.00 0.62 O ATOM 113 CB VAL A 7 49.829 48.435 -32.441 1.00 0.73 C ATOM 114 CG1 VAL A 7 48.450 48.973 -32.819 1.00 0.93 C ATOM 115 CG2 VAL A 7 49.724 46.929 -32.211 1.00 0.79 C ATOM 0 H VAL A 7 51.926 47.074 -32.799 1.00 0.61 H new ATOM 0 HA VAL A 7 50.288 48.917 -34.512 1.00 0.71 H new ATOM 0 HB VAL A 7 50.185 48.916 -31.530 1.00 0.73 H new ATOM 0 HG11 VAL A 7 47.745 48.766 -32.014 1.00 0.93 H new ATOM 0 HG12 VAL A 7 48.511 50.049 -32.980 1.00 0.93 H new ATOM 0 HG13 VAL A 7 48.108 48.488 -33.733 1.00 0.93 H new ATOM 0 HG21 VAL A 7 49.020 46.733 -31.402 1.00 0.79 H new ATOM 0 HG22 VAL A 7 49.373 46.445 -33.123 1.00 0.79 H new ATOM 0 HG23 VAL A 7 50.704 46.533 -31.944 1.00 0.79 H new ATOM 125 N PRO A 8 51.241 51.107 -33.776 1.00 0.84 N ATOM 126 CA PRO A 8 51.975 52.384 -33.549 1.00 0.91 C ATOM 127 C PRO A 8 51.760 52.934 -32.127 1.00 0.92 C ATOM 128 O PRO A 8 52.077 54.073 -31.849 1.00 1.21 O ATOM 129 CB PRO A 8 51.319 53.317 -34.574 1.00 1.09 C ATOM 130 CG PRO A 8 50.221 52.535 -35.322 1.00 1.12 C ATOM 131 CD PRO A 8 50.040 51.177 -34.635 1.00 0.97 C ATOM 0 HA PRO A 8 53.054 52.273 -33.654 1.00 0.91 H new ATOM 0 HB2 PRO A 8 50.890 54.186 -34.074 1.00 1.09 H new ATOM 0 HB3 PRO A 8 52.064 53.689 -35.277 1.00 1.09 H new ATOM 0 HG2 PRO A 8 49.285 53.093 -35.312 1.00 1.12 H new ATOM 0 HG3 PRO A 8 50.499 52.397 -36.367 1.00 1.12 H new ATOM 0 HD2 PRO A 8 49.119 51.133 -34.054 1.00 0.97 H new ATOM 0 HD3 PRO A 8 50.003 50.358 -35.353 1.00 0.97 H new ATOM 139 N LEU A 9 51.213 52.160 -31.230 1.00 0.78 N ATOM 140 CA LEU A 9 50.976 52.681 -29.858 1.00 0.82 C ATOM 141 C LEU A 9 51.981 52.104 -28.858 1.00 0.72 C ATOM 142 O LEU A 9 52.470 52.798 -27.988 1.00 0.84 O ATOM 143 CB LEU A 9 49.554 52.236 -29.509 1.00 0.87 C ATOM 144 CG LEU A 9 48.621 53.454 -29.474 1.00 1.12 C ATOM 145 CD1 LEU A 9 48.924 54.380 -30.654 1.00 1.82 C ATOM 146 CD2 LEU A 9 47.166 52.983 -29.559 1.00 1.60 C ATOM 0 H LEU A 9 50.922 51.195 -31.388 1.00 0.78 H new ATOM 0 HA LEU A 9 51.096 53.763 -29.814 1.00 0.82 H new ATOM 0 HB2 LEU A 9 49.198 51.515 -30.245 1.00 0.87 H new ATOM 0 HB3 LEU A 9 49.548 51.734 -28.542 1.00 0.87 H new ATOM 0 HG LEU A 9 48.779 53.998 -28.543 1.00 1.12 H new ATOM 0 HD11 LEU A 9 48.257 55.242 -30.621 1.00 1.82 H new ATOM 0 HD12 LEU A 9 49.958 54.719 -30.594 1.00 1.82 H new ATOM 0 HD13 LEU A 9 48.773 53.840 -31.589 1.00 1.82 H new ATOM 0 HD21 LEU A 9 46.502 53.847 -29.534 1.00 1.60 H new ATOM 0 HD22 LEU A 9 47.015 52.435 -30.489 1.00 1.60 H new ATOM 0 HD23 LEU A 9 46.945 52.331 -28.714 1.00 1.60 H new ATOM 158 N PHE A 10 52.283 50.842 -28.954 1.00 0.57 N ATOM 159 CA PHE A 10 53.243 50.232 -27.982 1.00 0.55 C ATOM 160 C PHE A 10 54.447 49.632 -28.707 1.00 0.49 C ATOM 161 O PHE A 10 54.663 49.856 -29.883 1.00 0.52 O ATOM 162 CB PHE A 10 52.468 49.124 -27.247 1.00 0.62 C ATOM 163 CG PHE A 10 51.220 48.733 -28.012 1.00 0.64 C ATOM 164 CD1 PHE A 10 50.097 49.564 -27.967 1.00 0.75 C ATOM 165 CD2 PHE A 10 51.181 47.545 -28.753 1.00 0.77 C ATOM 166 CE1 PHE A 10 48.935 49.212 -28.658 1.00 0.89 C ATOM 167 CE2 PHE A 10 50.018 47.193 -29.443 1.00 0.92 C ATOM 168 CZ PHE A 10 48.895 48.025 -29.396 1.00 0.94 C ATOM 0 H PHE A 10 51.911 50.205 -29.658 1.00 0.57 H new ATOM 0 HA PHE A 10 53.624 50.984 -27.292 1.00 0.55 H new ATOM 0 HB2 PHE A 10 53.108 48.251 -27.119 1.00 0.62 H new ATOM 0 HB3 PHE A 10 52.194 49.468 -26.249 1.00 0.62 H new ATOM 0 HD1 PHE A 10 50.128 50.481 -27.397 1.00 0.75 H new ATOM 0 HD2 PHE A 10 52.048 46.902 -28.791 1.00 0.77 H new ATOM 0 HE1 PHE A 10 48.069 49.856 -28.622 1.00 0.89 H new ATOM 0 HE2 PHE A 10 49.986 46.277 -30.014 1.00 0.92 H new ATOM 0 HZ PHE A 10 47.997 47.751 -29.930 1.00 0.94 H new ATOM 178 N TYR A 11 55.235 48.873 -27.997 1.00 0.47 N ATOM 179 CA TYR A 11 56.434 48.237 -28.611 1.00 0.44 C ATOM 180 C TYR A 11 56.735 46.912 -27.905 1.00 0.49 C ATOM 181 O TYR A 11 56.185 46.615 -26.863 1.00 0.62 O ATOM 182 CB TYR A 11 57.565 49.237 -28.394 1.00 0.42 C ATOM 183 CG TYR A 11 57.597 49.626 -26.941 1.00 0.44 C ATOM 184 CD1 TYR A 11 58.113 48.736 -25.992 1.00 0.69 C ATOM 185 CD2 TYR A 11 57.098 50.870 -26.540 1.00 0.70 C ATOM 186 CE1 TYR A 11 58.130 49.092 -24.640 1.00 0.80 C ATOM 187 CE2 TYR A 11 57.113 51.225 -25.187 1.00 0.76 C ATOM 188 CZ TYR A 11 57.629 50.336 -24.237 1.00 0.67 C ATOM 189 OH TYR A 11 57.642 50.686 -22.905 1.00 0.83 O ATOM 0 H TYR A 11 55.098 48.664 -27.008 1.00 0.47 H new ATOM 0 HA TYR A 11 56.295 48.011 -29.668 1.00 0.44 H new ATOM 0 HB2 TYR A 11 58.518 48.798 -28.688 1.00 0.42 H new ATOM 0 HB3 TYR A 11 57.414 50.118 -29.017 1.00 0.42 H new ATOM 0 HD1 TYR A 11 58.497 47.776 -26.303 1.00 0.69 H new ATOM 0 HD2 TYR A 11 56.702 51.556 -27.274 1.00 0.70 H new ATOM 0 HE1 TYR A 11 58.530 48.407 -23.906 1.00 0.80 H new ATOM 0 HE2 TYR A 11 56.727 52.184 -24.876 1.00 0.76 H new ATOM 0 HH TYR A 11 57.259 51.582 -22.798 1.00 0.83 H new ATOM 199 N LYS A 12 57.606 46.117 -28.458 1.00 0.50 N ATOM 200 CA LYS A 12 57.940 44.820 -27.807 1.00 0.59 C ATOM 201 C LYS A 12 59.380 44.851 -27.297 1.00 0.49 C ATOM 202 O LYS A 12 60.102 45.804 -27.514 1.00 0.49 O ATOM 203 CB LYS A 12 57.772 43.769 -28.903 1.00 0.74 C ATOM 204 CG LYS A 12 57.607 42.396 -28.258 1.00 1.20 C ATOM 205 CD LYS A 12 58.779 41.501 -28.658 1.00 1.50 C ATOM 206 CE LYS A 12 58.668 41.150 -30.144 1.00 1.68 C ATOM 207 NZ LYS A 12 59.503 39.931 -30.305 1.00 2.19 N ATOM 0 H LYS A 12 58.100 46.308 -29.330 1.00 0.50 H new ATOM 0 HA LYS A 12 57.304 44.607 -26.948 1.00 0.59 H new ATOM 0 HB2 LYS A 12 56.903 44.002 -29.518 1.00 0.74 H new ATOM 0 HB3 LYS A 12 58.639 43.772 -29.563 1.00 0.74 H new ATOM 0 HG2 LYS A 12 57.565 42.495 -27.173 1.00 1.20 H new ATOM 0 HG3 LYS A 12 56.667 41.945 -28.574 1.00 1.20 H new ATOM 0 HD2 LYS A 12 59.723 42.010 -28.463 1.00 1.50 H new ATOM 0 HD3 LYS A 12 58.778 40.591 -28.057 1.00 1.50 H new ATOM 0 HE2 LYS A 12 57.633 40.962 -30.431 1.00 1.68 H new ATOM 0 HE3 LYS A 12 59.030 41.964 -30.772 1.00 1.68 H new ATOM 0 HZ1 LYS A 12 59.481 39.624 -31.298 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 60.483 40.143 -30.030 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 59.130 39.172 -29.700 1.00 2.19 H new ATOM 221 N THR A 13 59.802 43.825 -26.617 1.00 0.64 N ATOM 222 CA THR A 13 61.196 43.808 -26.095 1.00 0.62 C ATOM 223 C THR A 13 62.019 42.748 -26.831 1.00 0.66 C ATOM 224 O THR A 13 61.502 41.727 -27.239 1.00 0.75 O ATOM 225 CB THR A 13 61.057 43.455 -24.612 1.00 0.70 C ATOM 226 OG1 THR A 13 60.674 44.613 -23.883 1.00 1.06 O ATOM 227 CG2 THR A 13 62.390 42.933 -24.081 1.00 1.08 C ATOM 0 H THR A 13 59.245 42.999 -26.400 1.00 0.64 H new ATOM 0 HA THR A 13 61.707 44.760 -26.238 1.00 0.62 H new ATOM 0 HB THR A 13 60.296 42.684 -24.494 1.00 0.70 H new ATOM 0 HG1 THR A 13 60.583 44.387 -22.934 1.00 1.06 H new ATOM 0 HG21 THR A 13 62.288 42.683 -23.025 1.00 1.08 H new ATOM 0 HG22 THR A 13 62.680 42.043 -24.639 1.00 1.08 H new ATOM 0 HG23 THR A 13 63.155 43.701 -24.200 1.00 1.08 H new ATOM 235 N CYS A 14 63.295 42.976 -26.999 1.00 0.65 N ATOM 236 CA CYS A 14 64.138 41.962 -27.701 1.00 0.76 C ATOM 237 C CYS A 14 65.086 41.311 -26.689 1.00 0.87 C ATOM 238 O CYS A 14 65.631 41.984 -25.835 1.00 0.99 O ATOM 239 CB CYS A 14 64.950 42.713 -28.777 1.00 0.75 C ATOM 240 SG CYS A 14 64.041 44.167 -29.386 1.00 1.34 S ATOM 0 H CYS A 14 63.787 43.812 -26.684 1.00 0.65 H new ATOM 0 HA CYS A 14 63.527 41.183 -28.157 1.00 0.76 H new ATOM 0 HB2 CYS A 14 65.908 43.027 -28.362 1.00 0.75 H new ATOM 0 HB3 CYS A 14 65.167 42.042 -29.608 1.00 0.75 H new ATOM 245 N PRO A 15 65.250 40.015 -26.809 1.00 1.06 N ATOM 246 CA PRO A 15 66.134 39.273 -25.885 1.00 1.31 C ATOM 247 C PRO A 15 67.553 39.843 -25.926 1.00 1.16 C ATOM 248 O PRO A 15 67.886 40.647 -26.773 1.00 1.40 O ATOM 249 CB PRO A 15 66.083 37.852 -26.446 1.00 1.54 C ATOM 250 CG PRO A 15 65.166 37.834 -27.681 1.00 1.54 C ATOM 251 CD PRO A 15 64.568 39.230 -27.865 1.00 1.24 C ATOM 0 HA PRO A 15 65.830 39.330 -24.840 1.00 1.31 H new ATOM 0 HB2 PRO A 15 67.085 37.518 -26.716 1.00 1.54 H new ATOM 0 HB3 PRO A 15 65.710 37.162 -25.690 1.00 1.54 H new ATOM 0 HG2 PRO A 15 65.731 37.544 -28.567 1.00 1.54 H new ATOM 0 HG3 PRO A 15 64.373 37.097 -27.553 1.00 1.54 H new ATOM 0 HD2 PRO A 15 64.768 39.629 -28.860 1.00 1.24 H new ATOM 0 HD3 PRO A 15 63.486 39.228 -27.734 1.00 1.24 H new ATOM 259 N ALA A 16 68.387 39.438 -25.011 1.00 1.32 N ATOM 260 CA ALA A 16 69.782 39.960 -24.988 1.00 1.21 C ATOM 261 C ALA A 16 70.558 39.456 -26.205 1.00 0.92 C ATOM 262 O ALA A 16 70.513 38.289 -26.541 1.00 1.02 O ATOM 263 CB ALA A 16 70.389 39.405 -23.698 1.00 1.58 C ATOM 0 H ALA A 16 68.163 38.767 -24.276 1.00 1.32 H new ATOM 0 HA ALA A 16 69.816 41.049 -25.021 1.00 1.21 H new ATOM 0 HB1 ALA A 16 71.421 39.745 -23.606 1.00 1.58 H new ATOM 0 HB2 ALA A 16 69.813 39.759 -22.843 1.00 1.58 H new ATOM 0 HB3 ALA A 16 70.367 38.316 -23.725 1.00 1.58 H new ATOM 269 N GLY A 17 71.278 40.324 -26.865 1.00 0.84 N ATOM 270 CA GLY A 17 72.063 39.886 -28.055 1.00 0.75 C ATOM 271 C GLY A 17 71.398 40.388 -29.342 1.00 0.63 C ATOM 272 O GLY A 17 71.985 40.343 -30.405 1.00 0.83 O ATOM 0 H GLY A 17 71.356 41.314 -26.632 1.00 0.84 H new ATOM 0 HA2 GLY A 17 73.081 40.270 -27.990 1.00 0.75 H new ATOM 0 HA3 GLY A 17 72.133 38.798 -28.073 1.00 0.75 H new ATOM 276 N LYS A 18 70.181 40.860 -29.262 1.00 0.60 N ATOM 277 CA LYS A 18 69.496 41.353 -30.499 1.00 0.58 C ATOM 278 C LYS A 18 69.007 42.796 -30.301 1.00 0.59 C ATOM 279 O LYS A 18 68.135 43.063 -29.498 1.00 0.88 O ATOM 280 CB LYS A 18 68.298 40.409 -30.752 1.00 0.71 C ATOM 281 CG LYS A 18 68.432 39.117 -29.932 1.00 1.60 C ATOM 282 CD LYS A 18 69.705 38.377 -30.347 1.00 2.39 C ATOM 283 CE LYS A 18 69.329 37.089 -31.082 1.00 2.98 C ATOM 284 NZ LYS A 18 70.626 36.423 -31.378 1.00 3.59 N ATOM 0 H LYS A 18 69.634 40.926 -28.403 1.00 0.60 H new ATOM 0 HA LYS A 18 70.179 41.354 -31.349 1.00 0.58 H new ATOM 0 HB2 LYS A 18 67.369 40.916 -30.489 1.00 0.71 H new ATOM 0 HB3 LYS A 18 68.240 40.166 -31.813 1.00 0.71 H new ATOM 0 HG2 LYS A 18 68.466 39.351 -28.868 1.00 1.60 H new ATOM 0 HG3 LYS A 18 67.561 38.481 -30.091 1.00 1.60 H new ATOM 0 HD2 LYS A 18 70.314 39.012 -30.991 1.00 2.39 H new ATOM 0 HD3 LYS A 18 70.306 38.145 -29.468 1.00 2.39 H new ATOM 0 HE2 LYS A 18 68.691 36.455 -30.466 1.00 2.98 H new ATOM 0 HE3 LYS A 18 68.777 37.303 -31.997 1.00 2.98 H new ATOM 0 HZ1 LYS A 18 70.451 35.531 -31.882 1.00 3.59 H new ATOM 0 HZ2 LYS A 18 71.209 37.047 -31.971 1.00 3.59 H new ATOM 0 HZ3 LYS A 18 71.126 36.225 -30.488 1.00 3.59 H new ATOM 298 N ASN A 19 69.560 43.723 -31.041 1.00 0.40 N ATOM 299 CA ASN A 19 69.137 45.141 -30.922 1.00 0.50 C ATOM 300 C ASN A 19 68.495 45.575 -32.240 1.00 0.47 C ATOM 301 O ASN A 19 68.225 46.739 -32.464 1.00 0.60 O ATOM 302 CB ASN A 19 70.428 45.935 -30.670 1.00 0.65 C ATOM 303 CG ASN A 19 71.446 45.082 -29.901 1.00 1.16 C ATOM 304 OD1 ASN A 19 71.977 44.127 -30.432 1.00 1.93 O ATOM 305 ND2 ASN A 19 71.741 45.391 -28.670 1.00 1.75 N ATOM 0 H ASN A 19 70.294 43.551 -31.728 1.00 0.40 H new ATOM 0 HA ASN A 19 68.413 45.300 -30.123 1.00 0.50 H new ATOM 0 HB2 ASN A 19 70.857 46.254 -31.620 1.00 0.65 H new ATOM 0 HB3 ASN A 19 70.201 46.838 -30.104 1.00 0.65 H new ATOM 0 HD21 ASN A 19 72.418 44.831 -28.152 1.00 1.75 H new ATOM 0 HD22 ASN A 19 71.295 46.193 -28.225 1.00 1.75 H new ATOM 312 N LEU A 20 68.255 44.633 -33.110 1.00 0.40 N ATOM 313 CA LEU A 20 67.636 44.945 -34.418 1.00 0.48 C ATOM 314 C LEU A 20 66.132 44.746 -34.335 1.00 0.38 C ATOM 315 O LEU A 20 65.638 43.960 -33.553 1.00 0.56 O ATOM 316 CB LEU A 20 68.227 43.923 -35.389 1.00 0.64 C ATOM 317 CG LEU A 20 68.881 44.627 -36.574 1.00 0.77 C ATOM 318 CD1 LEU A 20 70.373 44.778 -36.307 1.00 1.13 C ATOM 319 CD2 LEU A 20 68.686 43.789 -37.838 1.00 1.34 C ATOM 0 H LEU A 20 68.467 43.646 -32.962 1.00 0.40 H new ATOM 0 HA LEU A 20 67.824 45.973 -34.726 1.00 0.48 H new ATOM 0 HB2 LEU A 20 68.963 43.306 -34.873 1.00 0.64 H new ATOM 0 HB3 LEU A 20 67.443 43.254 -35.744 1.00 0.64 H new ATOM 0 HG LEU A 20 68.425 45.608 -36.709 1.00 0.77 H new ATOM 0 HD11 LEU A 20 70.845 45.281 -37.151 1.00 1.13 H new ATOM 0 HD12 LEU A 20 70.523 45.369 -35.403 1.00 1.13 H new ATOM 0 HD13 LEU A 20 70.821 43.793 -36.175 1.00 1.13 H new ATOM 0 HD21 LEU A 20 69.153 44.293 -38.684 1.00 1.34 H new ATOM 0 HD22 LEU A 20 69.145 42.810 -37.700 1.00 1.34 H new ATOM 0 HD23 LEU A 20 67.621 43.666 -38.032 1.00 1.34 H new ATOM 331 N CYS A 21 65.406 45.431 -35.154 1.00 0.29 N ATOM 332 CA CYS A 21 63.931 45.269 -35.156 1.00 0.31 C ATOM 333 C CYS A 21 63.505 44.932 -36.585 1.00 0.32 C ATOM 334 O CYS A 21 63.795 45.669 -37.507 1.00 0.49 O ATOM 335 CB CYS A 21 63.392 46.623 -34.705 1.00 0.44 C ATOM 336 SG CYS A 21 64.302 47.196 -33.245 1.00 0.57 S ATOM 0 H CYS A 21 65.769 46.103 -35.830 1.00 0.29 H new ATOM 0 HA CYS A 21 63.561 44.477 -34.505 1.00 0.31 H new ATOM 0 HB2 CYS A 21 63.488 47.349 -35.512 1.00 0.44 H new ATOM 0 HB3 CYS A 21 62.330 46.542 -34.474 1.00 0.44 H new ATOM 341 N TYR A 22 62.879 43.804 -36.801 1.00 0.30 N ATOM 342 CA TYR A 22 62.525 43.438 -38.204 1.00 0.31 C ATOM 343 C TYR A 22 61.016 43.509 -38.504 1.00 0.31 C ATOM 344 O TYR A 22 60.179 43.411 -37.629 1.00 0.41 O ATOM 345 CB TYR A 22 63.044 42.005 -38.383 1.00 0.36 C ATOM 346 CG TYR A 22 61.986 40.998 -37.989 1.00 0.38 C ATOM 347 CD1 TYR A 22 61.577 40.863 -36.652 1.00 0.47 C ATOM 348 CD2 TYR A 22 61.421 40.196 -38.977 1.00 0.54 C ATOM 349 CE1 TYR A 22 60.596 39.918 -36.320 1.00 0.52 C ATOM 350 CE2 TYR A 22 60.443 39.254 -38.647 1.00 0.63 C ATOM 351 CZ TYR A 22 60.029 39.115 -37.318 1.00 0.55 C ATOM 352 OH TYR A 22 59.061 38.188 -36.992 1.00 0.66 O ATOM 0 H TYR A 22 62.603 43.134 -36.084 1.00 0.30 H new ATOM 0 HA TYR A 22 62.972 44.149 -38.899 1.00 0.31 H new ATOM 0 HB2 TYR A 22 63.335 41.846 -39.421 1.00 0.36 H new ATOM 0 HB3 TYR A 22 63.937 41.858 -37.775 1.00 0.36 H new ATOM 0 HD1 TYR A 22 62.016 41.483 -35.884 1.00 0.47 H new ATOM 0 HD2 TYR A 22 61.740 40.302 -40.003 1.00 0.54 H new ATOM 0 HE1 TYR A 22 60.277 39.809 -35.294 1.00 0.52 H new ATOM 0 HE2 TYR A 22 60.007 38.634 -39.417 1.00 0.63 H new ATOM 0 HH TYR A 22 58.554 38.504 -36.216 1.00 0.66 H new ATOM 362 N LYS A 23 60.691 43.630 -39.770 1.00 0.39 N ATOM 363 CA LYS A 23 59.263 43.658 -40.218 1.00 0.44 C ATOM 364 C LYS A 23 59.114 42.652 -41.367 1.00 0.45 C ATOM 365 O LYS A 23 59.651 42.834 -42.442 1.00 0.54 O ATOM 366 CB LYS A 23 58.942 45.090 -40.703 1.00 0.56 C ATOM 367 CG LYS A 23 60.212 45.943 -40.847 1.00 1.11 C ATOM 368 CD LYS A 23 60.514 46.653 -39.523 1.00 1.49 C ATOM 369 CE LYS A 23 60.954 48.091 -39.807 1.00 1.72 C ATOM 370 NZ LYS A 23 59.697 48.892 -39.763 1.00 2.18 N ATOM 0 H LYS A 23 61.371 43.712 -40.526 1.00 0.39 H new ATOM 0 HA LYS A 23 58.578 43.392 -39.413 1.00 0.44 H new ATOM 0 HB2 LYS A 23 58.426 45.042 -41.662 1.00 0.56 H new ATOM 0 HB3 LYS A 23 58.261 45.568 -39.999 1.00 0.56 H new ATOM 0 HG2 LYS A 23 61.054 45.312 -41.132 1.00 1.11 H new ATOM 0 HG3 LYS A 23 60.080 46.677 -41.642 1.00 1.11 H new ATOM 0 HD2 LYS A 23 59.629 46.651 -38.886 1.00 1.49 H new ATOM 0 HD3 LYS A 23 61.297 46.121 -38.983 1.00 1.49 H new ATOM 0 HE2 LYS A 23 61.671 48.439 -39.063 1.00 1.72 H new ATOM 0 HE3 LYS A 23 61.440 48.171 -40.780 1.00 1.72 H new ATOM 0 HZ1 LYS A 23 59.926 49.903 -39.847 1.00 2.18 H new ATOM 0 HZ2 LYS A 23 59.078 48.611 -40.550 1.00 2.18 H new ATOM 0 HZ3 LYS A 23 59.208 48.722 -38.861 1.00 2.18 H new ATOM 384 N MET A 24 58.423 41.571 -41.130 1.00 0.47 N ATOM 385 CA MET A 24 58.279 40.521 -42.183 1.00 0.53 C ATOM 386 C MET A 24 57.035 40.746 -43.046 1.00 0.53 C ATOM 387 O MET A 24 55.940 40.459 -42.632 1.00 0.59 O ATOM 388 CB MET A 24 58.148 39.213 -41.390 1.00 0.63 C ATOM 389 CG MET A 24 57.444 38.150 -42.234 1.00 0.99 C ATOM 390 SD MET A 24 58.281 38.001 -43.829 1.00 1.69 S ATOM 391 CE MET A 24 57.452 36.489 -44.363 1.00 2.37 C ATOM 0 H MET A 24 57.950 41.367 -40.250 1.00 0.47 H new ATOM 0 HA MET A 24 59.122 40.523 -42.874 1.00 0.53 H new ATOM 0 HB2 MET A 24 59.135 38.858 -41.095 1.00 0.63 H new ATOM 0 HB3 MET A 24 57.586 39.390 -40.473 1.00 0.63 H new ATOM 0 HG2 MET A 24 57.454 37.192 -41.715 1.00 0.99 H new ATOM 0 HG3 MET A 24 56.399 38.421 -42.383 1.00 0.99 H new ATOM 0 HE1 MET A 24 58.197 35.728 -44.596 1.00 2.37 H new ATOM 0 HE2 MET A 24 56.803 36.129 -43.565 1.00 2.37 H new ATOM 0 HE3 MET A 24 56.855 36.696 -45.251 1.00 2.37 H new ATOM 401 N PHE A 25 57.198 41.221 -44.256 1.00 0.53 N ATOM 402 CA PHE A 25 56.006 41.420 -45.138 1.00 0.58 C ATOM 403 C PHE A 25 56.316 41.026 -46.582 1.00 0.50 C ATOM 404 O PHE A 25 57.453 40.780 -46.939 1.00 0.49 O ATOM 405 CB PHE A 25 55.671 42.905 -45.055 1.00 0.70 C ATOM 406 CG PHE A 25 56.871 43.741 -45.433 1.00 0.61 C ATOM 407 CD1 PHE A 25 57.771 44.137 -44.441 1.00 0.78 C ATOM 408 CD2 PHE A 25 57.081 44.129 -46.767 1.00 0.84 C ATOM 409 CE1 PHE A 25 58.884 44.918 -44.772 1.00 0.83 C ATOM 410 CE2 PHE A 25 58.195 44.912 -47.096 1.00 0.86 C ATOM 411 CZ PHE A 25 59.097 45.305 -46.099 1.00 0.70 C ATOM 0 H PHE A 25 58.095 41.477 -44.668 1.00 0.53 H new ATOM 0 HA PHE A 25 55.172 40.796 -44.816 1.00 0.58 H new ATOM 0 HB2 PHE A 25 54.838 43.133 -45.720 1.00 0.70 H new ATOM 0 HB3 PHE A 25 55.350 43.155 -44.044 1.00 0.70 H new ATOM 0 HD1 PHE A 25 57.607 43.840 -43.416 1.00 0.78 H new ATOM 0 HD2 PHE A 25 56.386 43.825 -47.536 1.00 0.84 H new ATOM 0 HE1 PHE A 25 59.578 45.222 -44.003 1.00 0.83 H new ATOM 0 HE2 PHE A 25 58.359 45.213 -48.120 1.00 0.86 H new ATOM 0 HZ PHE A 25 59.957 45.907 -46.355 1.00 0.70 H new ATOM 421 N MET A 26 55.311 40.959 -47.413 1.00 0.56 N ATOM 422 CA MET A 26 55.544 40.572 -48.840 1.00 0.61 C ATOM 423 C MET A 26 55.818 41.805 -49.702 1.00 0.69 C ATOM 424 O MET A 26 55.508 42.921 -49.332 1.00 1.30 O ATOM 425 CB MET A 26 54.253 39.887 -49.287 1.00 0.72 C ATOM 426 CG MET A 26 54.149 38.509 -48.634 1.00 0.91 C ATOM 427 SD MET A 26 53.408 38.674 -46.991 1.00 1.46 S ATOM 428 CE MET A 26 54.830 38.083 -46.043 1.00 1.96 C ATOM 0 H MET A 26 54.340 41.154 -47.169 1.00 0.56 H new ATOM 0 HA MET A 26 56.412 39.920 -48.943 1.00 0.61 H new ATOM 0 HB2 MET A 26 53.392 40.497 -49.012 1.00 0.72 H new ATOM 0 HB3 MET A 26 54.239 39.788 -50.372 1.00 0.72 H new ATOM 0 HG2 MET A 26 53.544 37.846 -49.253 1.00 0.91 H new ATOM 0 HG3 MET A 26 55.138 38.057 -48.555 1.00 0.91 H new ATOM 0 HE1 MET A 26 54.860 38.589 -45.078 1.00 1.96 H new ATOM 0 HE2 MET A 26 54.741 37.008 -45.886 1.00 1.96 H new ATOM 0 HE3 MET A 26 55.747 38.295 -46.593 1.00 1.96 H new ATOM 438 N VAL A 27 56.395 41.604 -50.854 1.00 0.76 N ATOM 439 CA VAL A 27 56.701 42.748 -51.758 1.00 0.80 C ATOM 440 C VAL A 27 55.407 43.326 -52.336 1.00 0.91 C ATOM 441 O VAL A 27 55.413 44.340 -53.004 1.00 1.08 O ATOM 442 CB VAL A 27 57.573 42.158 -52.865 1.00 0.93 C ATOM 443 CG1 VAL A 27 58.212 43.293 -53.664 1.00 1.11 C ATOM 444 CG2 VAL A 27 58.673 41.291 -52.245 1.00 1.06 C ATOM 0 H VAL A 27 56.670 40.689 -51.211 1.00 0.76 H new ATOM 0 HA VAL A 27 57.205 43.563 -51.238 1.00 0.80 H new ATOM 0 HB VAL A 27 56.958 41.546 -53.525 1.00 0.93 H new ATOM 0 HG11 VAL A 27 58.835 42.875 -54.455 1.00 1.11 H new ATOM 0 HG12 VAL A 27 57.431 43.912 -54.106 1.00 1.11 H new ATOM 0 HG13 VAL A 27 58.827 43.903 -53.002 1.00 1.11 H new ATOM 0 HG21 VAL A 27 59.294 40.871 -53.036 1.00 1.06 H new ATOM 0 HG22 VAL A 27 59.289 41.902 -51.585 1.00 1.06 H new ATOM 0 HG23 VAL A 27 58.219 40.482 -51.672 1.00 1.06 H new ATOM 454 N ALA A 28 54.297 42.693 -52.070 1.00 0.94 N ATOM 455 CA ALA A 28 52.999 43.212 -52.586 1.00 1.10 C ATOM 456 C ALA A 28 52.547 44.372 -51.703 1.00 1.12 C ATOM 457 O ALA A 28 51.793 45.230 -52.114 1.00 1.33 O ATOM 458 CB ALA A 28 52.029 42.037 -52.477 1.00 1.15 C ATOM 0 H ALA A 28 54.233 41.838 -51.517 1.00 0.94 H new ATOM 0 HA ALA A 28 53.061 43.580 -53.610 1.00 1.10 H new ATOM 0 HB1 ALA A 28 51.047 42.341 -52.839 1.00 1.15 H new ATOM 0 HB2 ALA A 28 52.396 41.205 -53.078 1.00 1.15 H new ATOM 0 HB3 ALA A 28 51.951 41.725 -51.435 1.00 1.15 H new ATOM 464 N THR A 29 53.021 44.403 -50.491 1.00 1.00 N ATOM 465 CA THR A 29 52.651 45.504 -49.566 1.00 1.09 C ATOM 466 C THR A 29 53.905 45.978 -48.818 1.00 0.90 C ATOM 467 O THR A 29 53.957 45.929 -47.606 1.00 0.93 O ATOM 468 CB THR A 29 51.632 44.882 -48.606 1.00 1.33 C ATOM 469 OG1 THR A 29 51.746 43.465 -48.642 1.00 1.93 O ATOM 470 CG2 THR A 29 50.223 45.292 -49.034 1.00 1.85 C ATOM 0 H THR A 29 53.654 43.706 -50.099 1.00 1.00 H new ATOM 0 HA THR A 29 52.235 46.374 -50.075 1.00 1.09 H new ATOM 0 HB THR A 29 51.824 45.233 -47.592 1.00 1.33 H new ATOM 0 HG1 THR A 29 51.095 43.069 -48.026 1.00 1.93 H new ATOM 0 HG21 THR A 29 49.494 44.852 -48.354 1.00 1.85 H new ATOM 0 HG22 THR A 29 50.136 46.378 -49.006 1.00 1.85 H new ATOM 0 HG23 THR A 29 50.033 44.939 -50.048 1.00 1.85 H new ATOM 478 N PRO A 30 54.890 46.414 -49.577 1.00 0.99 N ATOM 479 CA PRO A 30 56.168 46.886 -48.985 1.00 1.03 C ATOM 480 C PRO A 30 55.935 48.115 -48.104 1.00 0.85 C ATOM 481 O PRO A 30 56.658 48.365 -47.159 1.00 0.90 O ATOM 482 CB PRO A 30 56.997 47.259 -50.220 1.00 1.44 C ATOM 483 CG PRO A 30 56.152 46.996 -51.481 1.00 1.67 C ATOM 484 CD PRO A 30 54.781 46.459 -51.056 1.00 1.36 C ATOM 0 HA PRO A 30 56.648 46.145 -48.346 1.00 1.03 H new ATOM 0 HB2 PRO A 30 57.292 48.307 -50.175 1.00 1.44 H new ATOM 0 HB3 PRO A 30 57.914 46.671 -50.251 1.00 1.44 H new ATOM 0 HG2 PRO A 30 56.035 47.915 -52.055 1.00 1.67 H new ATOM 0 HG3 PRO A 30 56.654 46.277 -52.128 1.00 1.67 H new ATOM 0 HD2 PRO A 30 53.972 47.112 -51.382 1.00 1.36 H new ATOM 0 HD3 PRO A 30 54.584 45.473 -51.477 1.00 1.36 H new ATOM 492 N LYS A 31 54.934 48.889 -48.416 1.00 0.96 N ATOM 493 CA LYS A 31 54.649 50.110 -47.611 1.00 1.02 C ATOM 494 C LYS A 31 53.734 49.767 -46.438 1.00 0.94 C ATOM 495 O LYS A 31 53.255 50.636 -45.738 1.00 1.09 O ATOM 496 CB LYS A 31 53.943 51.061 -48.581 1.00 1.39 C ATOM 497 CG LYS A 31 54.661 52.412 -48.594 1.00 1.90 C ATOM 498 CD LYS A 31 56.124 52.208 -48.998 1.00 2.38 C ATOM 499 CE LYS A 31 56.654 53.481 -49.666 1.00 2.81 C ATOM 500 NZ LYS A 31 57.230 54.296 -48.558 1.00 3.08 N ATOM 0 H LYS A 31 54.298 48.728 -49.197 1.00 0.96 H new ATOM 0 HA LYS A 31 55.553 50.550 -47.189 1.00 1.02 H new ATOM 0 HB2 LYS A 31 53.935 50.633 -49.583 1.00 1.39 H new ATOM 0 HB3 LYS A 31 52.903 51.194 -48.283 1.00 1.39 H new ATOM 0 HG2 LYS A 31 54.171 53.090 -49.293 1.00 1.90 H new ATOM 0 HG3 LYS A 31 54.606 52.875 -47.609 1.00 1.90 H new ATOM 0 HD2 LYS A 31 56.724 51.969 -48.120 1.00 2.38 H new ATOM 0 HD3 LYS A 31 56.209 51.364 -49.682 1.00 2.38 H new ATOM 0 HE2 LYS A 31 57.410 53.246 -50.416 1.00 2.81 H new ATOM 0 HE3 LYS A 31 55.855 54.019 -50.176 1.00 2.81 H new ATOM 0 HZ1 LYS A 31 57.612 55.184 -48.942 1.00 3.08 H new ATOM 0 HZ2 LYS A 31 56.487 54.511 -47.863 1.00 3.08 H new ATOM 0 HZ3 LYS A 31 57.993 53.762 -48.095 1.00 3.08 H new ATOM 514 N VAL A 32 53.493 48.504 -46.212 1.00 0.83 N ATOM 515 CA VAL A 32 52.611 48.107 -45.082 1.00 0.87 C ATOM 516 C VAL A 32 53.044 46.741 -44.561 1.00 0.69 C ATOM 517 O VAL A 32 52.443 45.738 -44.890 1.00 0.70 O ATOM 518 CB VAL A 32 51.202 48.028 -45.672 1.00 1.10 C ATOM 519 CG1 VAL A 32 50.178 48.003 -44.538 1.00 1.65 C ATOM 520 CG2 VAL A 32 50.938 49.248 -46.557 1.00 1.72 C ATOM 0 H VAL A 32 53.869 47.732 -46.762 1.00 0.83 H new ATOM 0 HA VAL A 32 52.657 48.811 -44.251 1.00 0.87 H new ATOM 0 HB VAL A 32 51.116 47.121 -46.271 1.00 1.10 H new ATOM 0 HG11 VAL A 32 49.173 47.947 -44.956 1.00 1.65 H new ATOM 0 HG12 VAL A 32 50.357 47.134 -43.905 1.00 1.65 H new ATOM 0 HG13 VAL A 32 50.273 48.911 -43.942 1.00 1.65 H new ATOM 0 HG21 VAL A 32 49.933 49.185 -46.974 1.00 1.72 H new ATOM 0 HG22 VAL A 32 51.027 50.156 -45.961 1.00 1.72 H new ATOM 0 HG23 VAL A 32 51.666 49.274 -47.368 1.00 1.72 H new ATOM 530 N PRO A 33 54.084 46.738 -43.770 1.00 0.67 N ATOM 531 CA PRO A 33 54.597 45.471 -43.211 1.00 0.65 C ATOM 532 C PRO A 33 53.506 44.765 -42.398 1.00 0.67 C ATOM 533 O PRO A 33 52.568 45.388 -41.939 1.00 0.79 O ATOM 534 CB PRO A 33 55.761 45.938 -42.331 1.00 0.82 C ATOM 535 CG PRO A 33 55.884 47.472 -42.444 1.00 0.91 C ATOM 536 CD PRO A 33 54.792 47.986 -43.391 1.00 0.84 C ATOM 0 HA PRO A 33 54.907 44.745 -43.962 1.00 0.65 H new ATOM 0 HB2 PRO A 33 55.590 45.648 -41.294 1.00 0.82 H new ATOM 0 HB3 PRO A 33 56.689 45.460 -42.647 1.00 0.82 H new ATOM 0 HG2 PRO A 33 55.779 47.933 -41.462 1.00 0.91 H new ATOM 0 HG3 PRO A 33 56.870 47.745 -42.821 1.00 0.91 H new ATOM 0 HD2 PRO A 33 54.128 48.696 -42.898 1.00 0.84 H new ATOM 0 HD3 PRO A 33 55.213 48.494 -44.259 1.00 0.84 H new ATOM 544 N VAL A 34 53.608 43.471 -42.220 1.00 0.64 N ATOM 545 CA VAL A 34 52.562 42.754 -41.449 1.00 0.72 C ATOM 546 C VAL A 34 53.115 42.249 -40.107 1.00 0.63 C ATOM 547 O VAL A 34 52.492 42.425 -39.080 1.00 0.79 O ATOM 548 CB VAL A 34 52.084 41.596 -42.339 1.00 0.84 C ATOM 549 CG1 VAL A 34 51.078 42.121 -43.365 1.00 1.32 C ATOM 550 CG2 VAL A 34 53.259 40.984 -43.081 1.00 1.19 C ATOM 0 H VAL A 34 54.367 42.889 -42.575 1.00 0.64 H new ATOM 0 HA VAL A 34 51.731 43.414 -41.200 1.00 0.72 H new ATOM 0 HB VAL A 34 51.618 40.840 -41.707 1.00 0.84 H new ATOM 0 HG11 VAL A 34 50.739 41.299 -43.996 1.00 1.32 H new ATOM 0 HG12 VAL A 34 50.224 42.557 -42.847 1.00 1.32 H new ATOM 0 HG13 VAL A 34 51.553 42.882 -43.984 1.00 1.32 H new ATOM 0 HG21 VAL A 34 52.907 40.165 -43.708 1.00 1.19 H new ATOM 0 HG22 VAL A 34 53.730 41.743 -43.706 1.00 1.19 H new ATOM 0 HG23 VAL A 34 53.985 40.604 -42.362 1.00 1.19 H new ATOM 560 N LYS A 35 54.279 41.642 -40.079 1.00 0.46 N ATOM 561 CA LYS A 35 54.819 41.174 -38.767 1.00 0.45 C ATOM 562 C LYS A 35 55.830 42.183 -38.235 1.00 0.39 C ATOM 563 O LYS A 35 56.540 42.826 -38.984 1.00 0.51 O ATOM 564 CB LYS A 35 55.511 39.841 -39.034 1.00 0.59 C ATOM 565 CG LYS A 35 54.914 38.763 -38.126 1.00 0.90 C ATOM 566 CD LYS A 35 55.633 37.434 -38.369 1.00 1.38 C ATOM 567 CE LYS A 35 55.364 36.958 -39.799 1.00 1.90 C ATOM 568 NZ LYS A 35 55.789 35.531 -39.814 1.00 2.50 N ATOM 0 H LYS A 35 54.866 41.454 -40.891 1.00 0.46 H new ATOM 0 HA LYS A 35 54.025 41.067 -38.027 1.00 0.45 H new ATOM 0 HB2 LYS A 35 55.389 39.559 -40.080 1.00 0.59 H new ATOM 0 HB3 LYS A 35 56.582 39.932 -38.852 1.00 0.59 H new ATOM 0 HG2 LYS A 35 55.014 39.057 -37.081 1.00 0.90 H new ATOM 0 HG3 LYS A 35 53.848 38.654 -38.326 1.00 0.90 H new ATOM 0 HD2 LYS A 35 56.705 37.555 -38.211 1.00 1.38 H new ATOM 0 HD3 LYS A 35 55.288 36.686 -37.655 1.00 1.38 H new ATOM 0 HE2 LYS A 35 54.310 37.059 -40.057 1.00 1.90 H new ATOM 0 HE3 LYS A 35 55.928 37.546 -40.524 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 55.635 35.133 -40.762 1.00 2.50 H new ATOM 0 HZ2 LYS A 35 56.798 35.467 -39.571 1.00 2.50 H new ATOM 0 HZ3 LYS A 35 55.231 34.995 -39.119 1.00 2.50 H new ATOM 582 N ARG A 36 55.903 42.316 -36.943 1.00 0.34 N ATOM 583 CA ARG A 36 56.867 43.280 -36.340 1.00 0.33 C ATOM 584 C ARG A 36 57.535 42.665 -35.110 1.00 0.36 C ATOM 585 O ARG A 36 56.885 42.362 -34.130 1.00 0.42 O ATOM 586 CB ARG A 36 56.027 44.488 -35.938 1.00 0.37 C ATOM 587 CG ARG A 36 56.781 45.766 -36.301 1.00 0.54 C ATOM 588 CD ARG A 36 55.856 46.717 -37.062 1.00 0.83 C ATOM 589 NE ARG A 36 55.879 47.977 -36.269 1.00 0.89 N ATOM 590 CZ ARG A 36 55.256 49.038 -36.701 1.00 1.07 C ATOM 591 NH1 ARG A 36 55.794 49.774 -37.636 1.00 1.27 N ATOM 592 NH2 ARG A 36 54.100 49.368 -36.197 1.00 1.76 N ATOM 0 H ARG A 36 55.335 41.797 -36.273 1.00 0.34 H new ATOM 0 HA ARG A 36 57.663 43.549 -37.035 1.00 0.33 H new ATOM 0 HB2 ARG A 36 55.064 44.462 -36.448 1.00 0.37 H new ATOM 0 HB3 ARG A 36 55.822 44.464 -34.868 1.00 0.37 H new ATOM 0 HG2 ARG A 36 57.151 46.250 -35.397 1.00 0.54 H new ATOM 0 HG3 ARG A 36 57.651 45.524 -36.912 1.00 0.54 H new ATOM 0 HD2 ARG A 36 56.208 46.883 -38.080 1.00 0.83 H new ATOM 0 HD3 ARG A 36 54.846 46.313 -37.136 1.00 0.83 H new ATOM 0 HE ARG A 36 56.384 48.010 -35.384 1.00 0.89 H new ATOM 0 HH11 ARG A 36 56.701 49.519 -38.028 1.00 1.27 H new ATOM 0 HH12 ARG A 36 55.308 50.604 -37.975 1.00 1.27 H new ATOM 0 HH21 ARG A 36 53.681 48.796 -35.464 1.00 1.76 H new ATOM 0 HH22 ARG A 36 53.614 50.198 -36.536 1.00 1.76 H new ATOM 606 N GLY A 37 58.824 42.477 -35.144 1.00 0.34 N ATOM 607 CA GLY A 37 59.502 41.881 -33.961 1.00 0.39 C ATOM 608 C GLY A 37 60.940 42.391 -33.851 1.00 0.38 C ATOM 609 O GLY A 37 61.298 43.410 -34.409 1.00 0.44 O ATOM 0 H GLY A 37 59.432 42.707 -35.930 1.00 0.34 H new ATOM 0 HA2 GLY A 37 58.951 42.132 -33.055 1.00 0.39 H new ATOM 0 HA3 GLY A 37 59.501 40.794 -34.044 1.00 0.39 H new ATOM 613 N CYS A 38 61.765 41.677 -33.131 1.00 0.40 N ATOM 614 CA CYS A 38 63.190 42.090 -32.967 1.00 0.41 C ATOM 615 C CYS A 38 64.103 41.077 -33.659 1.00 0.39 C ATOM 616 O CYS A 38 63.871 39.886 -33.603 1.00 0.42 O ATOM 617 CB CYS A 38 63.456 42.050 -31.460 1.00 0.52 C ATOM 618 SG CYS A 38 62.628 43.424 -30.628 1.00 1.14 S ATOM 0 H CYS A 38 61.510 40.817 -32.645 1.00 0.40 H new ATOM 0 HA CYS A 38 63.377 43.074 -33.397 1.00 0.41 H new ATOM 0 HB2 CYS A 38 63.104 41.104 -31.049 1.00 0.52 H new ATOM 0 HB3 CYS A 38 64.529 42.099 -31.274 1.00 0.52 H new ATOM 623 N ILE A 39 65.145 41.525 -34.304 1.00 0.38 N ATOM 624 CA ILE A 39 66.056 40.564 -34.973 1.00 0.39 C ATOM 625 C ILE A 39 67.506 40.831 -34.563 1.00 0.43 C ATOM 626 O ILE A 39 67.837 41.858 -34.015 1.00 0.48 O ATOM 627 CB ILE A 39 65.857 40.823 -36.482 1.00 0.38 C ATOM 628 CG1 ILE A 39 64.806 39.842 -37.020 1.00 0.39 C ATOM 629 CG2 ILE A 39 67.183 40.634 -37.242 1.00 0.43 C ATOM 630 CD1 ILE A 39 65.016 39.584 -38.517 1.00 0.42 C ATOM 0 H ILE A 39 65.401 42.508 -34.395 1.00 0.38 H new ATOM 0 HA ILE A 39 65.842 39.530 -34.703 1.00 0.39 H new ATOM 0 HB ILE A 39 65.520 41.849 -36.629 1.00 0.38 H new ATOM 0 HG12 ILE A 39 64.866 38.901 -36.473 1.00 0.39 H new ATOM 0 HG13 ILE A 39 63.807 40.245 -36.853 1.00 0.39 H new ATOM 0 HG21 ILE A 39 67.023 40.821 -38.304 1.00 0.43 H new ATOM 0 HG22 ILE A 39 67.925 41.334 -36.858 1.00 0.43 H new ATOM 0 HG23 ILE A 39 67.540 39.614 -37.103 1.00 0.43 H new ATOM 0 HD11 ILE A 39 64.259 38.886 -38.876 1.00 0.42 H new ATOM 0 HD12 ILE A 39 64.931 40.523 -39.063 1.00 0.42 H new ATOM 0 HD13 ILE A 39 66.007 39.159 -38.677 1.00 0.42 H new ATOM 642 N ASP A 40 68.367 39.914 -34.873 1.00 0.48 N ATOM 643 CA ASP A 40 69.816 40.097 -34.586 1.00 0.56 C ATOM 644 C ASP A 40 70.526 40.169 -35.940 1.00 0.58 C ATOM 645 O ASP A 40 71.505 40.868 -36.119 1.00 0.67 O ATOM 646 CB ASP A 40 70.254 38.863 -33.801 1.00 0.67 C ATOM 647 CG ASP A 40 69.899 37.602 -34.589 1.00 1.31 C ATOM 648 OD1 ASP A 40 68.762 37.494 -35.015 1.00 2.02 O ATOM 649 OD2 ASP A 40 70.772 36.766 -34.753 1.00 1.94 O ATOM 0 H ASP A 40 68.129 39.029 -35.321 1.00 0.48 H new ATOM 0 HA ASP A 40 70.043 40.996 -34.013 1.00 0.56 H new ATOM 0 HB2 ASP A 40 71.328 38.899 -33.617 1.00 0.67 H new ATOM 0 HB3 ASP A 40 69.764 38.846 -32.828 1.00 0.67 H new ATOM 654 N VAL A 41 69.991 39.463 -36.906 1.00 0.56 N ATOM 655 CA VAL A 41 70.554 39.473 -38.285 1.00 0.63 C ATOM 656 C VAL A 41 69.381 39.453 -39.277 1.00 0.58 C ATOM 657 O VAL A 41 68.445 38.694 -39.123 1.00 0.68 O ATOM 658 CB VAL A 41 71.391 38.197 -38.392 1.00 0.76 C ATOM 659 CG1 VAL A 41 72.110 38.163 -39.742 1.00 1.54 C ATOM 660 CG2 VAL A 41 72.427 38.176 -37.265 1.00 1.57 C ATOM 0 H VAL A 41 69.170 38.869 -36.790 1.00 0.56 H new ATOM 0 HA VAL A 41 71.164 40.350 -38.501 1.00 0.63 H new ATOM 0 HB VAL A 41 70.738 37.328 -38.309 1.00 0.76 H new ATOM 0 HG11 VAL A 41 72.705 37.253 -39.814 1.00 1.54 H new ATOM 0 HG12 VAL A 41 71.375 38.181 -40.546 1.00 1.54 H new ATOM 0 HG13 VAL A 41 72.763 39.031 -39.828 1.00 1.54 H new ATOM 0 HG21 VAL A 41 73.026 37.268 -37.338 1.00 1.57 H new ATOM 0 HG22 VAL A 41 73.077 39.047 -37.352 1.00 1.57 H new ATOM 0 HG23 VAL A 41 71.917 38.198 -36.302 1.00 1.57 H new ATOM 670 N CYS A 42 69.401 40.302 -40.268 1.00 0.72 N ATOM 671 CA CYS A 42 68.258 40.344 -41.235 1.00 0.76 C ATOM 672 C CYS A 42 68.499 39.428 -42.450 1.00 0.76 C ATOM 673 O CYS A 42 69.580 39.403 -43.004 1.00 0.90 O ATOM 674 CB CYS A 42 68.181 41.809 -41.676 1.00 1.00 C ATOM 675 SG CYS A 42 66.494 42.199 -42.215 1.00 1.13 S ATOM 0 H CYS A 42 70.153 40.966 -40.453 1.00 0.72 H new ATOM 0 HA CYS A 42 67.335 39.989 -40.777 1.00 0.76 H new ATOM 0 HB2 CYS A 42 68.470 42.462 -40.852 1.00 1.00 H new ATOM 0 HB3 CYS A 42 68.884 41.991 -42.489 1.00 1.00 H new ATOM 680 N PRO A 43 67.462 38.712 -42.834 1.00 0.70 N ATOM 681 CA PRO A 43 67.531 37.803 -44.006 1.00 0.80 C ATOM 682 C PRO A 43 67.848 38.586 -45.282 1.00 0.89 C ATOM 683 O PRO A 43 68.427 39.652 -45.241 1.00 0.97 O ATOM 684 CB PRO A 43 66.110 37.229 -44.063 1.00 0.80 C ATOM 685 CG PRO A 43 65.288 37.822 -42.912 1.00 0.72 C ATOM 686 CD PRO A 43 66.170 38.777 -42.114 1.00 0.65 C ATOM 0 HA PRO A 43 68.308 37.043 -43.923 1.00 0.80 H new ATOM 0 HB2 PRO A 43 65.645 37.467 -45.020 1.00 0.80 H new ATOM 0 HB3 PRO A 43 66.139 36.142 -43.985 1.00 0.80 H new ATOM 0 HG2 PRO A 43 64.419 38.350 -43.303 1.00 0.72 H new ATOM 0 HG3 PRO A 43 64.914 37.027 -42.267 1.00 0.72 H new ATOM 0 HD2 PRO A 43 65.764 39.788 -42.103 1.00 0.65 H new ATOM 0 HD3 PRO A 43 66.270 38.462 -41.075 1.00 0.65 H new ATOM 694 N LYS A 44 67.464 38.060 -46.415 1.00 1.04 N ATOM 695 CA LYS A 44 67.732 38.766 -47.705 1.00 1.19 C ATOM 696 C LYS A 44 66.413 39.236 -48.339 1.00 1.07 C ATOM 697 O LYS A 44 65.341 38.919 -47.864 1.00 1.52 O ATOM 698 CB LYS A 44 68.426 37.731 -48.598 1.00 1.53 C ATOM 699 CG LYS A 44 67.454 36.602 -48.955 1.00 2.08 C ATOM 700 CD LYS A 44 68.210 35.267 -48.984 1.00 2.77 C ATOM 701 CE LYS A 44 68.832 35.060 -50.369 1.00 3.61 C ATOM 702 NZ LYS A 44 68.177 33.833 -50.910 1.00 4.19 N ATOM 0 H LYS A 44 66.975 37.169 -46.504 1.00 1.04 H new ATOM 0 HA LYS A 44 68.349 39.654 -47.566 1.00 1.19 H new ATOM 0 HB2 LYS A 44 68.788 38.210 -49.508 1.00 1.53 H new ATOM 0 HB3 LYS A 44 69.296 37.322 -48.085 1.00 1.53 H new ATOM 0 HG2 LYS A 44 66.646 36.559 -48.225 1.00 2.08 H new ATOM 0 HG3 LYS A 44 66.997 36.795 -49.926 1.00 2.08 H new ATOM 0 HD2 LYS A 44 68.988 35.261 -48.220 1.00 2.77 H new ATOM 0 HD3 LYS A 44 67.530 34.447 -48.753 1.00 2.77 H new ATOM 0 HE2 LYS A 44 68.652 35.920 -51.014 1.00 3.61 H new ATOM 0 HE3 LYS A 44 69.912 34.933 -50.301 1.00 3.61 H new ATOM 0 HZ1 LYS A 44 68.553 33.628 -51.858 1.00 4.19 H new ATOM 0 HZ2 LYS A 44 68.371 33.029 -50.279 1.00 4.19 H new ATOM 0 HZ3 LYS A 44 67.150 33.986 -50.971 1.00 4.19 H new ATOM 716 N SER A 45 66.485 39.993 -49.403 1.00 1.01 N ATOM 717 CA SER A 45 65.234 40.486 -50.060 1.00 0.93 C ATOM 718 C SER A 45 64.785 39.522 -51.163 1.00 0.94 C ATOM 719 O SER A 45 65.587 39.006 -51.917 1.00 1.20 O ATOM 720 CB SER A 45 65.607 41.841 -50.662 1.00 1.04 C ATOM 721 OG SER A 45 65.503 42.843 -49.659 1.00 1.64 O ATOM 0 H SER A 45 67.354 40.292 -49.846 1.00 1.01 H new ATOM 0 HA SER A 45 64.409 40.562 -49.352 1.00 0.93 H new ATOM 0 HB2 SER A 45 66.622 41.810 -51.057 1.00 1.04 H new ATOM 0 HB3 SER A 45 64.947 42.076 -51.497 1.00 1.04 H new ATOM 0 HG SER A 45 65.743 43.713 -50.040 1.00 1.64 H new ATOM 727 N SER A 46 63.505 39.278 -51.261 1.00 0.84 N ATOM 728 CA SER A 46 62.993 38.352 -52.314 1.00 1.02 C ATOM 729 C SER A 46 61.793 38.983 -53.031 1.00 1.10 C ATOM 730 O SER A 46 61.058 39.762 -52.460 1.00 1.66 O ATOM 731 CB SER A 46 62.562 37.100 -51.553 1.00 1.08 C ATOM 732 OG SER A 46 62.546 35.990 -52.440 1.00 1.49 O ATOM 0 H SER A 46 62.790 39.681 -50.656 1.00 0.84 H new ATOM 0 HA SER A 46 63.740 38.132 -53.076 1.00 1.02 H new ATOM 0 HB2 SER A 46 63.247 36.909 -50.727 1.00 1.08 H new ATOM 0 HB3 SER A 46 61.573 37.247 -51.119 1.00 1.08 H new ATOM 0 HG SER A 46 62.271 35.186 -51.952 1.00 1.49 H new ATOM 738 N LEU A 47 61.590 38.655 -54.280 1.00 1.13 N ATOM 739 CA LEU A 47 60.438 39.243 -55.028 1.00 1.25 C ATOM 740 C LEU A 47 59.109 38.697 -54.492 1.00 0.98 C ATOM 741 O LEU A 47 58.051 39.213 -54.792 1.00 1.23 O ATOM 742 CB LEU A 47 60.651 38.818 -56.483 1.00 1.60 C ATOM 743 CG LEU A 47 60.593 40.048 -57.387 1.00 2.09 C ATOM 744 CD1 LEU A 47 61.899 40.836 -57.264 1.00 2.75 C ATOM 745 CD2 LEU A 47 60.398 39.596 -58.836 1.00 2.50 C ATOM 0 H LEU A 47 62.170 38.007 -54.814 1.00 1.13 H new ATOM 0 HA LEU A 47 60.392 40.327 -54.922 1.00 1.25 H new ATOM 0 HB2 LEU A 47 61.615 38.320 -56.590 1.00 1.60 H new ATOM 0 HB3 LEU A 47 59.886 38.100 -56.779 1.00 1.60 H new ATOM 0 HG LEU A 47 59.761 40.686 -57.088 1.00 2.09 H new ATOM 0 HD11 LEU A 47 61.857 41.713 -57.909 1.00 2.75 H new ATOM 0 HD12 LEU A 47 62.037 41.152 -56.230 1.00 2.75 H new ATOM 0 HD13 LEU A 47 62.735 40.204 -57.565 1.00 2.75 H new ATOM 0 HD21 LEU A 47 60.356 40.469 -59.487 1.00 2.50 H new ATOM 0 HD22 LEU A 47 61.232 38.961 -59.134 1.00 2.50 H new ATOM 0 HD23 LEU A 47 59.467 39.035 -58.920 1.00 2.50 H new ATOM 757 N LEU A 48 59.151 37.661 -53.696 1.00 0.79 N ATOM 758 CA LEU A 48 57.882 37.097 -53.144 1.00 0.85 C ATOM 759 C LEU A 48 57.777 37.398 -51.644 1.00 0.71 C ATOM 760 O LEU A 48 56.700 37.448 -51.084 1.00 0.92 O ATOM 761 CB LEU A 48 57.973 35.591 -53.386 1.00 1.16 C ATOM 762 CG LEU A 48 56.588 34.968 -53.221 1.00 1.67 C ATOM 763 CD1 LEU A 48 55.867 34.945 -54.570 1.00 2.36 C ATOM 764 CD2 LEU A 48 56.740 33.540 -52.694 1.00 2.47 C ATOM 0 H LEU A 48 60.004 37.183 -53.405 1.00 0.79 H new ATOM 0 HA LEU A 48 57.000 37.529 -53.617 1.00 0.85 H new ATOM 0 HB2 LEU A 48 58.356 35.395 -54.388 1.00 1.16 H new ATOM 0 HB3 LEU A 48 58.673 35.140 -52.683 1.00 1.16 H new ATOM 0 HG LEU A 48 56.004 35.559 -52.516 1.00 1.67 H new ATOM 0 HD11 LEU A 48 54.880 34.500 -54.447 1.00 2.36 H new ATOM 0 HD12 LEU A 48 55.762 35.963 -54.944 1.00 2.36 H new ATOM 0 HD13 LEU A 48 56.445 34.355 -55.281 1.00 2.36 H new ATOM 0 HD21 LEU A 48 55.755 33.090 -52.574 1.00 2.47 H new ATOM 0 HD22 LEU A 48 57.324 32.951 -53.401 1.00 2.47 H new ATOM 0 HD23 LEU A 48 57.250 33.560 -51.731 1.00 2.47 H new ATOM 776 N VAL A 49 58.892 37.602 -50.993 1.00 0.54 N ATOM 777 CA VAL A 49 58.872 37.906 -49.532 1.00 0.49 C ATOM 778 C VAL A 49 60.011 38.880 -49.205 1.00 0.42 C ATOM 779 O VAL A 49 61.068 38.823 -49.801 1.00 0.58 O ATOM 780 CB VAL A 49 59.078 36.555 -48.838 1.00 0.65 C ATOM 781 CG1 VAL A 49 60.568 36.193 -48.827 1.00 0.99 C ATOM 782 CG2 VAL A 49 58.557 36.642 -47.401 1.00 1.13 C ATOM 0 H VAL A 49 59.821 37.571 -51.413 1.00 0.54 H new ATOM 0 HA VAL A 49 57.944 38.375 -49.206 1.00 0.49 H new ATOM 0 HB VAL A 49 58.532 35.783 -49.380 1.00 0.65 H new ATOM 0 HG11 VAL A 49 60.705 35.232 -48.332 1.00 0.99 H new ATOM 0 HG12 VAL A 49 60.934 36.129 -49.852 1.00 0.99 H new ATOM 0 HG13 VAL A 49 61.125 36.961 -48.290 1.00 0.99 H new ATOM 0 HG21 VAL A 49 58.701 35.683 -46.903 1.00 1.13 H new ATOM 0 HG22 VAL A 49 59.103 37.417 -46.862 1.00 1.13 H new ATOM 0 HG23 VAL A 49 57.495 36.888 -47.413 1.00 1.13 H new ATOM 792 N LYS A 50 59.811 39.781 -48.280 1.00 0.40 N ATOM 793 CA LYS A 50 60.902 40.749 -47.961 1.00 0.42 C ATOM 794 C LYS A 50 60.967 41.053 -46.462 1.00 0.44 C ATOM 795 O LYS A 50 59.968 41.323 -45.825 1.00 0.55 O ATOM 796 CB LYS A 50 60.536 42.012 -48.737 1.00 0.57 C ATOM 797 CG LYS A 50 61.807 42.642 -49.309 1.00 1.02 C ATOM 798 CD LYS A 50 61.432 43.619 -50.423 1.00 1.41 C ATOM 799 CE LYS A 50 61.334 45.035 -49.849 1.00 1.74 C ATOM 800 NZ LYS A 50 62.211 45.865 -50.720 1.00 2.40 N ATOM 0 H LYS A 50 58.953 39.889 -47.739 1.00 0.40 H new ATOM 0 HA LYS A 50 61.880 40.351 -48.232 1.00 0.42 H new ATOM 0 HB2 LYS A 50 59.843 41.769 -49.542 1.00 0.57 H new ATOM 0 HB3 LYS A 50 60.029 42.720 -48.082 1.00 0.57 H new ATOM 0 HG2 LYS A 50 62.354 43.162 -48.523 1.00 1.02 H new ATOM 0 HG3 LYS A 50 62.468 41.867 -49.697 1.00 1.02 H new ATOM 0 HD2 LYS A 50 62.179 43.587 -51.216 1.00 1.41 H new ATOM 0 HD3 LYS A 50 60.481 43.330 -50.870 1.00 1.41 H new ATOM 0 HE2 LYS A 50 60.306 45.397 -49.864 1.00 1.74 H new ATOM 0 HE3 LYS A 50 61.667 45.064 -48.811 1.00 1.74 H new ATOM 0 HZ1 LYS A 50 62.196 46.851 -50.389 1.00 2.40 H new ATOM 0 HZ2 LYS A 50 63.184 45.501 -50.680 1.00 2.40 H new ATOM 0 HZ3 LYS A 50 61.866 45.824 -51.700 1.00 2.40 H new ATOM 814 N TYR A 51 62.147 41.037 -45.899 1.00 0.44 N ATOM 815 CA TYR A 51 62.292 41.351 -44.448 1.00 0.52 C ATOM 816 C TYR A 51 63.047 42.674 -44.286 1.00 0.45 C ATOM 817 O TYR A 51 63.997 42.944 -44.995 1.00 0.59 O ATOM 818 CB TYR A 51 63.130 40.218 -43.862 1.00 0.73 C ATOM 819 CG TYR A 51 62.338 38.933 -43.793 1.00 0.50 C ATOM 820 CD1 TYR A 51 62.103 38.198 -44.957 1.00 0.69 C ATOM 821 CD2 TYR A 51 61.878 38.460 -42.556 1.00 0.82 C ATOM 822 CE1 TYR A 51 61.402 36.988 -44.892 1.00 0.76 C ATOM 823 CE2 TYR A 51 61.181 37.248 -42.490 1.00 1.19 C ATOM 824 CZ TYR A 51 60.941 36.512 -43.657 1.00 1.05 C ATOM 825 OH TYR A 51 60.254 35.316 -43.590 1.00 1.47 O ATOM 0 H TYR A 51 63.018 40.819 -46.383 1.00 0.44 H new ATOM 0 HA TYR A 51 61.325 41.442 -43.954 1.00 0.52 H new ATOM 0 HB2 TYR A 51 64.020 40.067 -44.472 1.00 0.73 H new ATOM 0 HB3 TYR A 51 63.471 40.493 -42.864 1.00 0.73 H new ATOM 0 HD1 TYR A 51 62.462 38.563 -45.908 1.00 0.69 H new ATOM 0 HD2 TYR A 51 62.061 39.029 -41.657 1.00 0.82 H new ATOM 0 HE1 TYR A 51 61.217 36.422 -45.793 1.00 0.76 H new ATOM 0 HE2 TYR A 51 60.828 36.880 -41.538 1.00 1.19 H new ATOM 0 HH TYR A 51 60.007 35.132 -42.660 1.00 1.47 H new ATOM 835 N VAL A 52 62.647 43.494 -43.356 1.00 0.44 N ATOM 836 CA VAL A 52 63.357 44.789 -43.147 1.00 0.49 C ATOM 837 C VAL A 52 63.811 44.888 -41.685 1.00 0.43 C ATOM 838 O VAL A 52 63.025 44.732 -40.782 1.00 0.56 O ATOM 839 CB VAL A 52 62.317 45.870 -43.464 1.00 0.69 C ATOM 840 CG1 VAL A 52 62.708 47.180 -42.777 1.00 1.02 C ATOM 841 CG2 VAL A 52 62.256 46.096 -44.976 1.00 0.82 C ATOM 0 H VAL A 52 61.859 43.325 -42.731 1.00 0.44 H new ATOM 0 HA VAL A 52 64.243 44.891 -43.773 1.00 0.49 H new ATOM 0 HB VAL A 52 61.342 45.544 -43.101 1.00 0.69 H new ATOM 0 HG11 VAL A 52 61.966 47.946 -43.005 1.00 1.02 H new ATOM 0 HG12 VAL A 52 62.752 47.026 -41.699 1.00 1.02 H new ATOM 0 HG13 VAL A 52 63.685 47.502 -43.137 1.00 1.02 H new ATOM 0 HG21 VAL A 52 61.516 46.865 -45.199 1.00 0.82 H new ATOM 0 HG22 VAL A 52 63.233 46.418 -45.336 1.00 0.82 H new ATOM 0 HG23 VAL A 52 61.975 45.167 -45.472 1.00 0.82 H new ATOM 851 N CYS A 53 65.069 45.147 -41.443 1.00 0.44 N ATOM 852 CA CYS A 53 65.536 45.244 -40.026 1.00 0.47 C ATOM 853 C CYS A 53 66.469 46.439 -39.829 1.00 0.46 C ATOM 854 O CYS A 53 67.215 46.816 -40.709 1.00 0.68 O ATOM 855 CB CYS A 53 66.309 43.949 -39.742 1.00 0.73 C ATOM 856 SG CYS A 53 65.473 42.531 -40.499 1.00 1.39 S ATOM 0 H CYS A 53 65.786 45.294 -42.153 1.00 0.44 H new ATOM 0 HA CYS A 53 64.688 45.378 -39.355 1.00 0.47 H new ATOM 0 HB2 CYS A 53 67.323 44.031 -40.132 1.00 0.73 H new ATOM 0 HB3 CYS A 53 66.393 43.797 -38.666 1.00 0.73 H new ATOM 861 N CYS A 54 66.442 47.016 -38.661 1.00 0.39 N ATOM 862 CA CYS A 54 67.333 48.172 -38.355 1.00 0.51 C ATOM 863 C CYS A 54 68.075 47.885 -37.045 1.00 0.48 C ATOM 864 O CYS A 54 67.500 47.379 -36.107 1.00 0.46 O ATOM 865 CB CYS A 54 66.408 49.395 -38.221 1.00 0.68 C ATOM 866 SG CYS A 54 64.824 48.922 -37.470 1.00 1.08 S ATOM 0 H CYS A 54 65.832 46.733 -37.894 1.00 0.39 H new ATOM 0 HA CYS A 54 68.082 48.348 -39.127 1.00 0.51 H new ATOM 0 HB2 CYS A 54 66.892 50.158 -37.611 1.00 0.68 H new ATOM 0 HB3 CYS A 54 66.234 49.835 -39.203 1.00 0.68 H new ATOM 871 N ASN A 55 69.346 48.183 -36.975 1.00 0.52 N ATOM 872 CA ASN A 55 70.117 47.892 -35.729 1.00 0.55 C ATOM 873 C ASN A 55 70.060 49.081 -34.789 1.00 0.54 C ATOM 874 O ASN A 55 71.025 49.800 -34.609 1.00 0.61 O ATOM 875 CB ASN A 55 71.555 47.658 -36.189 1.00 0.67 C ATOM 876 CG ASN A 55 72.408 47.233 -34.991 1.00 1.48 C ATOM 877 OD1 ASN A 55 72.334 46.104 -34.550 1.00 2.23 O ATOM 878 ND2 ASN A 55 73.217 48.097 -34.442 1.00 2.32 N ATOM 0 H ASN A 55 69.884 48.615 -37.726 1.00 0.52 H new ATOM 0 HA ASN A 55 69.714 47.033 -35.193 1.00 0.55 H new ATOM 0 HB2 ASN A 55 71.581 46.888 -36.960 1.00 0.67 H new ATOM 0 HB3 ASN A 55 71.959 48.568 -36.633 1.00 0.67 H new ATOM 0 HD21 ASN A 55 73.788 47.824 -33.642 1.00 2.32 H new ATOM 0 HD22 ASN A 55 73.279 49.045 -34.813 1.00 2.32 H new ATOM 885 N THR A 56 68.937 49.282 -34.183 1.00 0.49 N ATOM 886 CA THR A 56 68.803 50.425 -33.235 1.00 0.50 C ATOM 887 C THR A 56 67.783 50.096 -32.133 1.00 0.48 C ATOM 888 O THR A 56 67.761 48.999 -31.609 1.00 0.57 O ATOM 889 CB THR A 56 68.377 51.615 -34.105 1.00 0.54 C ATOM 890 OG1 THR A 56 67.391 51.200 -35.031 1.00 1.15 O ATOM 891 CG2 THR A 56 69.597 52.143 -34.863 1.00 1.16 C ATOM 0 H THR A 56 68.101 48.709 -34.297 1.00 0.49 H new ATOM 0 HA THR A 56 69.730 50.648 -32.706 1.00 0.50 H new ATOM 0 HB THR A 56 67.966 52.401 -33.472 1.00 0.54 H new ATOM 0 HG1 THR A 56 66.895 50.440 -34.662 1.00 1.15 H new ATOM 0 HG21 THR A 56 69.302 52.989 -35.484 1.00 1.16 H new ATOM 0 HG22 THR A 56 70.357 52.463 -34.151 1.00 1.16 H new ATOM 0 HG23 THR A 56 70.002 51.353 -35.495 1.00 1.16 H new ATOM 899 N ASP A 57 66.940 51.029 -31.779 1.00 0.58 N ATOM 900 CA ASP A 57 65.922 50.770 -30.720 1.00 0.60 C ATOM 901 C ASP A 57 64.580 51.354 -31.169 1.00 0.59 C ATOM 902 O ASP A 57 64.522 52.448 -31.693 1.00 0.72 O ATOM 903 CB ASP A 57 66.445 51.497 -29.481 1.00 0.71 C ATOM 904 CG ASP A 57 67.291 50.536 -28.642 1.00 0.95 C ATOM 905 OD1 ASP A 57 66.733 49.578 -28.131 1.00 1.47 O ATOM 906 OD2 ASP A 57 68.482 50.773 -28.524 1.00 1.70 O ATOM 0 H ASP A 57 66.913 51.966 -32.181 1.00 0.58 H new ATOM 0 HA ASP A 57 65.770 49.709 -30.522 1.00 0.60 H new ATOM 0 HB2 ASP A 57 67.042 52.359 -29.778 1.00 0.71 H new ATOM 0 HB3 ASP A 57 65.611 51.875 -28.889 1.00 0.71 H new ATOM 911 N ARG A 58 63.504 50.633 -30.997 1.00 0.56 N ATOM 912 CA ARG A 58 62.190 51.171 -31.457 1.00 0.61 C ATOM 913 C ARG A 58 62.353 51.657 -32.895 1.00 0.60 C ATOM 914 O ARG A 58 61.832 52.685 -33.280 1.00 0.87 O ATOM 915 CB ARG A 58 61.884 52.350 -30.532 1.00 0.73 C ATOM 916 CG ARG A 58 61.860 51.880 -29.076 1.00 0.93 C ATOM 917 CD ARG A 58 60.540 51.160 -28.777 1.00 1.16 C ATOM 918 NE ARG A 58 59.474 52.026 -29.358 1.00 1.10 N ATOM 919 CZ ARG A 58 58.920 52.961 -28.635 1.00 1.34 C ATOM 920 NH1 ARG A 58 59.543 53.437 -27.592 1.00 1.91 N ATOM 921 NH2 ARG A 58 57.739 53.419 -28.954 1.00 1.52 N ATOM 0 H ARG A 58 63.476 49.709 -30.565 1.00 0.56 H new ATOM 0 HA ARG A 58 61.390 50.431 -31.428 1.00 0.61 H new ATOM 0 HB2 ARG A 58 62.637 53.128 -30.659 1.00 0.73 H new ATOM 0 HB3 ARG A 58 60.923 52.791 -30.797 1.00 0.73 H new ATOM 0 HG2 ARG A 58 62.699 51.210 -28.888 1.00 0.93 H new ATOM 0 HG3 ARG A 58 61.977 52.733 -28.408 1.00 0.93 H new ATOM 0 HD2 ARG A 58 60.525 50.166 -29.224 1.00 1.16 H new ATOM 0 HD3 ARG A 58 60.398 51.029 -27.704 1.00 1.16 H new ATOM 0 HE ARG A 58 59.177 51.887 -30.324 1.00 1.10 H new ATOM 0 HH11 ARG A 58 60.464 53.078 -27.341 1.00 1.91 H new ATOM 0 HH12 ARG A 58 59.109 54.168 -27.028 1.00 1.91 H new ATOM 0 HH21 ARG A 58 57.250 53.046 -29.768 1.00 1.52 H new ATOM 0 HH22 ARG A 58 57.306 54.150 -28.389 1.00 1.52 H new ATOM 935 N CYS A 59 63.113 50.936 -33.678 1.00 0.44 N ATOM 936 CA CYS A 59 63.367 51.359 -35.084 1.00 0.47 C ATOM 937 C CYS A 59 62.458 50.617 -36.083 1.00 0.60 C ATOM 938 O CYS A 59 62.588 50.781 -37.281 1.00 1.14 O ATOM 939 CB CYS A 59 64.853 51.035 -35.306 1.00 0.42 C ATOM 940 SG CYS A 59 65.079 49.252 -35.495 1.00 0.84 S ATOM 0 H CYS A 59 63.570 50.068 -33.400 1.00 0.44 H new ATOM 0 HA CYS A 59 63.144 52.413 -35.247 1.00 0.47 H new ATOM 0 HB2 CYS A 59 65.217 51.552 -36.194 1.00 0.42 H new ATOM 0 HB3 CYS A 59 65.442 51.397 -34.463 1.00 0.42 H new ATOM 945 N ASN A 60 61.520 49.827 -35.615 1.00 0.52 N ATOM 946 CA ASN A 60 60.607 49.123 -36.570 1.00 0.55 C ATOM 947 C ASN A 60 59.153 49.503 -36.283 1.00 0.71 C ATOM 948 O ASN A 60 58.305 48.629 -36.361 1.00 1.39 O ATOM 949 CB ASN A 60 60.832 47.623 -36.353 1.00 0.41 C ATOM 950 CG ASN A 60 60.077 47.143 -35.108 1.00 0.36 C ATOM 951 OD1 ASN A 60 59.951 47.870 -34.140 1.00 0.43 O ATOM 952 ND2 ASN A 60 59.569 45.935 -35.095 1.00 0.40 N ATOM 953 OXT ASN A 60 58.911 50.664 -35.996 1.00 1.25 O ATOM 0 H ASN A 60 61.349 49.641 -34.627 1.00 0.52 H new ATOM 0 HA ASN A 60 60.814 49.401 -37.603 1.00 0.55 H new ATOM 0 HB2 ASN A 60 60.493 47.068 -37.228 1.00 0.41 H new ATOM 0 HB3 ASN A 60 61.897 47.421 -36.240 1.00 0.41 H new ATOM 0 HD21 ASN A 60 59.066 45.602 -34.272 1.00 0.40 H new ATOM 0 HD22 ASN A 60 59.676 45.328 -35.908 1.00 0.40 H new TER 960 ASN A 60