USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=17 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 Single : A 1 LEU N :NH3+ 135:sc= -1.54 (180deg=-4.01!) USER MOD Single : A 2 LYS NZ :NH3+ -151:sc= -0.65 (180deg=-3.07!) USER MOD Single : A 4 ASN : amide:sc= -2.79! C(o=-2.8!,f=-3.9!) USER MOD Single : A 5 LYS NZ :NH3+ 126:sc= -1.63 (180deg=-2.54!) 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 92:sc= 0.00194 USER MOD Single : A 18 LYS NZ :NH3+ -142:sc= -1.51! (180deg=-2.79!) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.192 F(o=-1.1,f=-0.19) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= 0.14 (180deg=-0.0993) USER MOD Single : A 24 MET CE :methyl -131:sc= -4.44! (180deg=-13.8!) USER MOD Single : A 26 MET CE :methyl -127:sc= -0.169 (180deg=-1.01) USER MOD Single : A 29 THR OG1 : rot -61:sc= 0.647 USER MOD Single : A 31 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.295) 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= -0.273 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 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.91! C(o=-0.91!,f=-6.3!) USER MOD Single : A 56 THR OG1 : rot -175:sc= -3.43! USER MOD Single : A 60 ASN : amide:sc= -7.73! C(o=-7.7!,f=-19!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 66.035 45.122 -25.896 1.00 1.26 N ATOM 2 CA LEU A 1 65.628 46.544 -26.077 1.00 0.65 C ATOM 3 C LEU A 1 64.147 46.621 -26.444 1.00 0.58 C ATOM 4 O LEU A 1 63.384 45.715 -26.169 1.00 0.77 O ATOM 5 CB LEU A 1 66.523 47.085 -27.205 1.00 1.19 C ATOM 6 CG LEU A 1 66.008 46.638 -28.580 1.00 1.07 C ATOM 7 CD1 LEU A 1 66.482 47.631 -29.644 1.00 1.38 C ATOM 8 CD2 LEU A 1 66.561 45.251 -28.906 1.00 1.53 C ATOM 0 H1 LEU A 1 66.941 44.956 -26.380 1.00 1.26 H new ATOM 0 H2 LEU A 1 66.141 44.918 -24.882 1.00 1.26 H new ATOM 0 H3 LEU A 1 65.307 44.498 -26.300 1.00 1.26 H new ATOM 0 HA LEU A 1 65.750 47.133 -25.168 1.00 0.65 H new ATOM 0 HB2 LEU A 1 66.552 48.174 -27.160 1.00 1.19 H new ATOM 0 HB3 LEU A 1 67.545 46.733 -27.064 1.00 1.19 H new ATOM 0 HG LEU A 1 64.919 46.603 -28.566 1.00 1.07 H new ATOM 0 HD11 LEU A 1 66.118 47.317 -30.622 1.00 1.38 H new ATOM 0 HD12 LEU A 1 66.094 48.623 -29.414 1.00 1.38 H new ATOM 0 HD13 LEU A 1 67.572 47.661 -29.654 1.00 1.38 H new ATOM 0 HD21 LEU A 1 66.195 44.934 -29.883 1.00 1.53 H new ATOM 0 HD22 LEU A 1 67.650 45.288 -28.921 1.00 1.53 H new ATOM 0 HD23 LEU A 1 66.233 44.541 -28.147 1.00 1.53 H new ATOM 22 N LYS A 2 63.729 47.690 -27.057 1.00 0.45 N ATOM 23 CA LYS A 2 62.289 47.810 -27.430 1.00 0.53 C ATOM 24 C LYS A 2 62.145 48.111 -28.926 1.00 0.43 C ATOM 25 O LYS A 2 62.421 49.205 -29.375 1.00 0.59 O ATOM 26 CB LYS A 2 61.757 48.980 -26.600 1.00 0.71 C ATOM 27 CG LYS A 2 61.645 48.564 -25.130 1.00 1.14 C ATOM 28 CD LYS A 2 62.932 48.931 -24.389 1.00 1.23 C ATOM 29 CE LYS A 2 62.611 49.927 -23.271 1.00 1.98 C ATOM 30 NZ LYS A 2 61.706 50.938 -23.892 1.00 2.63 N ATOM 0 H LYS A 2 64.316 48.483 -27.316 1.00 0.45 H new ATOM 0 HA LYS A 2 61.741 46.888 -27.238 1.00 0.53 H new ATOM 0 HB2 LYS A 2 62.423 49.838 -26.695 1.00 0.71 H new ATOM 0 HB3 LYS A 2 60.782 49.290 -26.975 1.00 0.71 H new ATOM 0 HG2 LYS A 2 60.793 49.060 -24.666 1.00 1.14 H new ATOM 0 HG3 LYS A 2 61.467 47.491 -25.059 1.00 1.14 H new ATOM 0 HD2 LYS A 2 63.392 48.035 -23.972 1.00 1.23 H new ATOM 0 HD3 LYS A 2 63.652 49.366 -25.082 1.00 1.23 H new ATOM 0 HE2 LYS A 2 62.128 49.431 -22.429 1.00 1.98 H new ATOM 0 HE3 LYS A 2 63.518 50.394 -22.888 1.00 1.98 H new ATOM 0 HZ1 LYS A 2 61.829 51.854 -23.414 1.00 2.63 H new ATOM 0 HZ2 LYS A 2 61.939 51.040 -24.900 1.00 2.63 H new ATOM 0 HZ3 LYS A 2 60.719 50.626 -23.795 1.00 2.63 H new ATOM 44 N CYS A 3 61.705 47.153 -29.699 1.00 0.40 N ATOM 45 CA CYS A 3 61.536 47.397 -31.162 1.00 0.40 C ATOM 46 C CYS A 3 60.060 47.662 -31.479 1.00 0.40 C ATOM 47 O CYS A 3 59.175 47.050 -30.916 1.00 0.44 O ATOM 48 CB CYS A 3 62.023 46.115 -31.842 1.00 0.54 C ATOM 49 SG CYS A 3 63.828 46.152 -31.973 1.00 0.68 S ATOM 0 H CYS A 3 61.456 46.216 -29.382 1.00 0.40 H new ATOM 0 HA CYS A 3 62.094 48.267 -31.508 1.00 0.40 H new ATOM 0 HB2 CYS A 3 61.707 45.244 -31.269 1.00 0.54 H new ATOM 0 HB3 CYS A 3 61.577 46.024 -32.833 1.00 0.54 H new ATOM 54 N ASN A 4 59.791 48.579 -32.371 1.00 0.43 N ATOM 55 CA ASN A 4 58.374 48.897 -32.719 1.00 0.49 C ATOM 56 C ASN A 4 57.572 47.611 -32.918 1.00 0.49 C ATOM 57 O ASN A 4 58.035 46.678 -33.543 1.00 0.55 O ATOM 58 CB ASN A 4 58.461 49.678 -34.034 1.00 0.60 C ATOM 59 CG ASN A 4 57.892 51.085 -33.847 1.00 0.99 C ATOM 60 OD1 ASN A 4 56.968 51.286 -33.084 1.00 1.93 O ATOM 61 ND2 ASN A 4 58.410 52.073 -34.522 1.00 1.09 N ATOM 0 H ASN A 4 60.492 49.122 -32.874 1.00 0.43 H new ATOM 0 HA ASN A 4 57.874 49.463 -31.933 1.00 0.49 H new ATOM 0 HB2 ASN A 4 59.498 49.737 -34.363 1.00 0.60 H new ATOM 0 HB3 ASN A 4 57.909 49.154 -34.814 1.00 0.60 H new ATOM 0 HD21 ASN A 4 58.040 53.017 -34.410 1.00 1.09 H new ATOM 0 HD22 ASN A 4 59.186 51.902 -35.162 1.00 1.09 H new ATOM 68 N LYS A 5 56.365 47.553 -32.413 1.00 0.52 N ATOM 69 CA LYS A 5 55.559 46.325 -32.614 1.00 0.60 C ATOM 70 C LYS A 5 54.621 46.548 -33.801 1.00 0.71 C ATOM 71 O LYS A 5 54.327 47.670 -34.162 1.00 1.48 O ATOM 72 CB LYS A 5 54.812 46.074 -31.282 1.00 0.68 C ATOM 73 CG LYS A 5 53.292 46.219 -31.431 1.00 1.03 C ATOM 74 CD LYS A 5 52.685 44.880 -31.849 1.00 1.48 C ATOM 75 CE LYS A 5 53.084 43.801 -30.839 1.00 1.84 C ATOM 76 NZ LYS A 5 54.153 43.018 -31.521 1.00 2.49 N ATOM 0 H LYS A 5 55.913 48.295 -31.878 1.00 0.52 H new ATOM 0 HA LYS A 5 56.157 45.446 -32.852 1.00 0.60 H new ATOM 0 HB2 LYS A 5 55.046 45.073 -30.920 1.00 0.68 H new ATOM 0 HB3 LYS A 5 55.170 46.777 -30.529 1.00 0.68 H new ATOM 0 HG2 LYS A 5 52.854 46.549 -30.489 1.00 1.03 H new ATOM 0 HG3 LYS A 5 53.061 46.982 -32.174 1.00 1.03 H new ATOM 0 HD2 LYS A 5 51.599 44.961 -31.901 1.00 1.48 H new ATOM 0 HD3 LYS A 5 53.032 44.607 -32.845 1.00 1.48 H new ATOM 0 HE2 LYS A 5 53.448 44.243 -29.911 1.00 1.84 H new ATOM 0 HE3 LYS A 5 52.235 43.169 -30.579 1.00 1.84 H new ATOM 0 HZ1 LYS A 5 54.997 42.982 -30.915 1.00 2.49 H new ATOM 0 HZ2 LYS A 5 53.814 42.051 -31.701 1.00 2.49 H new ATOM 0 HZ3 LYS A 5 54.395 43.474 -32.424 1.00 2.49 H new ATOM 90 N LEU A 6 54.174 45.487 -34.409 1.00 0.53 N ATOM 91 CA LEU A 6 53.275 45.598 -35.593 1.00 0.57 C ATOM 92 C LEU A 6 52.403 46.863 -35.533 1.00 0.62 C ATOM 93 O LEU A 6 52.218 47.535 -36.528 1.00 0.72 O ATOM 94 CB LEU A 6 52.406 44.358 -35.511 1.00 0.59 C ATOM 95 CG LEU A 6 53.155 43.154 -36.061 1.00 0.70 C ATOM 96 CD1 LEU A 6 53.893 42.437 -34.928 1.00 1.22 C ATOM 97 CD2 LEU A 6 52.141 42.211 -36.684 1.00 0.78 C ATOM 0 H LEU A 6 54.397 44.531 -34.132 1.00 0.53 H new ATOM 0 HA LEU A 6 53.838 45.671 -36.523 1.00 0.57 H new ATOM 0 HB2 LEU A 6 52.118 44.175 -34.476 1.00 0.59 H new ATOM 0 HB3 LEU A 6 51.486 44.512 -36.075 1.00 0.59 H new ATOM 0 HG LEU A 6 53.884 43.474 -36.805 1.00 0.70 H new ATOM 0 HD11 LEU A 6 54.427 41.576 -35.329 1.00 1.22 H new ATOM 0 HD12 LEU A 6 54.604 43.122 -34.466 1.00 1.22 H new ATOM 0 HD13 LEU A 6 53.174 42.102 -34.180 1.00 1.22 H new ATOM 0 HD21 LEU A 6 52.655 41.338 -37.086 1.00 0.78 H new ATOM 0 HD22 LEU A 6 51.426 41.893 -35.925 1.00 0.78 H new ATOM 0 HD23 LEU A 6 51.613 42.724 -37.488 1.00 0.78 H new ATOM 109 N VAL A 7 51.869 47.204 -34.384 1.00 0.61 N ATOM 110 CA VAL A 7 51.028 48.433 -34.302 1.00 0.71 C ATOM 111 C VAL A 7 51.915 49.651 -34.009 1.00 0.70 C ATOM 112 O VAL A 7 52.796 49.575 -33.175 1.00 0.62 O ATOM 113 CB VAL A 7 50.074 48.188 -33.137 1.00 0.73 C ATOM 114 CG1 VAL A 7 49.211 49.435 -32.932 1.00 0.93 C ATOM 115 CG2 VAL A 7 49.176 46.989 -33.452 1.00 0.79 C ATOM 0 H VAL A 7 51.979 46.689 -33.510 1.00 0.61 H new ATOM 0 HA VAL A 7 50.494 48.631 -35.232 1.00 0.71 H new ATOM 0 HB VAL A 7 50.643 47.980 -32.231 1.00 0.73 H new ATOM 0 HG11 VAL A 7 48.525 49.270 -32.101 1.00 0.93 H new ATOM 0 HG12 VAL A 7 49.852 50.288 -32.710 1.00 0.93 H new ATOM 0 HG13 VAL A 7 48.641 49.636 -33.839 1.00 0.93 H new ATOM 0 HG21 VAL A 7 48.495 46.815 -32.619 1.00 0.79 H new ATOM 0 HG22 VAL A 7 48.600 47.193 -34.355 1.00 0.79 H new ATOM 0 HG23 VAL A 7 49.792 46.104 -33.607 1.00 0.79 H new ATOM 125 N PRO A 8 51.664 50.742 -34.696 1.00 0.84 N ATOM 126 CA PRO A 8 52.460 51.983 -34.491 1.00 0.91 C ATOM 127 C PRO A 8 52.169 52.648 -33.125 1.00 0.92 C ATOM 128 O PRO A 8 52.364 53.836 -32.964 1.00 1.21 O ATOM 129 CB PRO A 8 51.969 52.880 -35.635 1.00 1.09 C ATOM 130 CG PRO A 8 50.898 52.118 -36.440 1.00 1.12 C ATOM 131 CD PRO A 8 50.599 50.796 -35.724 1.00 0.97 C ATOM 0 HA PRO A 8 53.534 51.797 -34.491 1.00 0.91 H new ATOM 0 HB2 PRO A 8 51.554 53.806 -35.237 1.00 1.09 H new ATOM 0 HB3 PRO A 8 52.802 53.156 -36.282 1.00 1.09 H new ATOM 0 HG2 PRO A 8 49.991 52.716 -36.524 1.00 1.12 H new ATOM 0 HG3 PRO A 8 51.250 51.928 -37.454 1.00 1.12 H new ATOM 0 HD2 PRO A 8 49.604 50.791 -35.279 1.00 0.97 H new ATOM 0 HD3 PRO A 8 50.648 49.946 -36.404 1.00 0.97 H new ATOM 139 N LEU A 9 51.714 51.912 -32.140 1.00 0.78 N ATOM 140 CA LEU A 9 51.431 52.533 -30.819 1.00 0.82 C ATOM 141 C LEU A 9 52.281 51.878 -29.718 1.00 0.72 C ATOM 142 O LEU A 9 52.720 52.531 -28.792 1.00 0.84 O ATOM 143 CB LEU A 9 49.940 52.287 -30.571 1.00 0.87 C ATOM 144 CG LEU A 9 49.165 53.589 -30.749 1.00 1.12 C ATOM 145 CD1 LEU A 9 48.217 53.460 -31.942 1.00 1.82 C ATOM 146 CD2 LEU A 9 48.354 53.867 -29.480 1.00 1.60 C ATOM 0 H LEU A 9 51.528 50.911 -32.198 1.00 0.78 H new ATOM 0 HA LEU A 9 51.675 53.595 -30.808 1.00 0.82 H new ATOM 0 HB2 LEU A 9 49.566 51.533 -31.264 1.00 0.87 H new ATOM 0 HB3 LEU A 9 49.789 51.898 -29.564 1.00 0.87 H new ATOM 0 HG LEU A 9 49.861 54.409 -30.928 1.00 1.12 H new ATOM 0 HD11 LEU A 9 47.663 54.390 -32.069 1.00 1.82 H new ATOM 0 HD12 LEU A 9 48.793 53.255 -32.844 1.00 1.82 H new ATOM 0 HD13 LEU A 9 47.518 52.643 -31.764 1.00 1.82 H new ATOM 0 HD21 LEU A 9 47.797 54.796 -29.600 1.00 1.60 H new ATOM 0 HD22 LEU A 9 47.657 53.047 -29.306 1.00 1.60 H new ATOM 0 HD23 LEU A 9 49.029 53.956 -28.629 1.00 1.60 H new ATOM 158 N PHE A 10 52.513 50.592 -29.809 1.00 0.57 N ATOM 159 CA PHE A 10 53.333 49.906 -28.763 1.00 0.55 C ATOM 160 C PHE A 10 54.486 49.140 -29.414 1.00 0.49 C ATOM 161 O PHE A 10 54.503 48.917 -30.608 1.00 0.52 O ATOM 162 CB PHE A 10 52.395 48.927 -28.020 1.00 0.62 C ATOM 163 CG PHE A 10 51.101 48.709 -28.781 1.00 0.64 C ATOM 164 CD1 PHE A 10 50.192 49.759 -28.900 1.00 0.77 C ATOM 165 CD2 PHE A 10 50.807 47.463 -29.350 1.00 0.75 C ATOM 166 CE1 PHE A 10 48.990 49.576 -29.588 1.00 0.92 C ATOM 167 CE2 PHE A 10 49.601 47.276 -30.036 1.00 0.89 C ATOM 168 CZ PHE A 10 48.693 48.331 -30.156 1.00 0.94 C ATOM 0 H PHE A 10 52.172 49.990 -30.558 1.00 0.57 H new ATOM 0 HA PHE A 10 53.763 50.631 -28.072 1.00 0.55 H new ATOM 0 HB2 PHE A 10 52.901 47.972 -27.881 1.00 0.62 H new ATOM 0 HB3 PHE A 10 52.173 49.318 -27.027 1.00 0.62 H new ATOM 0 HD1 PHE A 10 50.418 50.718 -28.458 1.00 0.77 H new ATOM 0 HD2 PHE A 10 51.510 46.648 -29.260 1.00 0.75 H new ATOM 0 HE1 PHE A 10 48.291 50.394 -29.682 1.00 0.92 H new ATOM 0 HE2 PHE A 10 49.372 46.315 -30.473 1.00 0.89 H new ATOM 0 HZ PHE A 10 47.763 48.187 -30.686 1.00 0.94 H new ATOM 178 N TYR A 11 55.443 48.729 -28.630 1.00 0.47 N ATOM 179 CA TYR A 11 56.594 47.965 -29.189 1.00 0.44 C ATOM 180 C TYR A 11 56.815 46.692 -28.376 1.00 0.49 C ATOM 181 O TYR A 11 56.243 46.511 -27.318 1.00 0.62 O ATOM 182 CB TYR A 11 57.816 48.881 -29.095 1.00 0.42 C ATOM 183 CG TYR A 11 57.745 49.753 -27.859 1.00 0.44 C ATOM 184 CD1 TYR A 11 57.448 49.189 -26.612 1.00 0.69 C ATOM 185 CD2 TYR A 11 57.985 51.128 -27.965 1.00 0.70 C ATOM 186 CE1 TYR A 11 57.389 50.000 -25.472 1.00 0.80 C ATOM 187 CE2 TYR A 11 57.927 51.938 -26.824 1.00 0.76 C ATOM 188 CZ TYR A 11 57.629 51.374 -25.579 1.00 0.67 C ATOM 189 OH TYR A 11 57.572 52.174 -24.455 1.00 0.83 O ATOM 0 H TYR A 11 55.478 48.889 -27.623 1.00 0.47 H new ATOM 0 HA TYR A 11 56.412 47.669 -30.222 1.00 0.44 H new ATOM 0 HB2 TYR A 11 58.725 48.280 -29.069 1.00 0.42 H new ATOM 0 HB3 TYR A 11 57.874 49.508 -29.984 1.00 0.42 H new ATOM 0 HD1 TYR A 11 57.264 48.128 -26.530 1.00 0.69 H new ATOM 0 HD2 TYR A 11 58.215 51.564 -28.926 1.00 0.70 H new ATOM 0 HE1 TYR A 11 57.158 49.565 -24.511 1.00 0.80 H new ATOM 0 HE2 TYR A 11 58.112 52.999 -26.905 1.00 0.76 H new ATOM 0 HH TYR A 11 57.765 53.102 -24.704 1.00 0.83 H new ATOM 199 N LYS A 12 57.644 45.812 -28.850 1.00 0.50 N ATOM 200 CA LYS A 12 57.904 44.565 -28.085 1.00 0.59 C ATOM 201 C LYS A 12 59.328 44.603 -27.533 1.00 0.49 C ATOM 202 O LYS A 12 60.197 45.255 -28.075 1.00 0.49 O ATOM 203 CB LYS A 12 57.743 43.423 -29.089 1.00 0.74 C ATOM 204 CG LYS A 12 56.657 42.463 -28.599 1.00 1.20 C ATOM 205 CD LYS A 12 57.138 41.021 -28.770 1.00 1.50 C ATOM 206 CE LYS A 12 56.574 40.451 -30.072 1.00 1.68 C ATOM 207 NZ LYS A 12 56.988 39.021 -30.080 1.00 2.19 N ATOM 0 H LYS A 12 58.152 45.900 -29.730 1.00 0.50 H new ATOM 0 HA LYS A 12 57.225 44.443 -27.241 1.00 0.59 H new ATOM 0 HB2 LYS A 12 57.477 43.820 -30.069 1.00 0.74 H new ATOM 0 HB3 LYS A 12 58.687 42.892 -29.206 1.00 0.74 H new ATOM 0 HG2 LYS A 12 56.428 42.660 -27.552 1.00 1.20 H new ATOM 0 HG3 LYS A 12 55.737 42.620 -29.161 1.00 1.20 H new ATOM 0 HD2 LYS A 12 58.227 40.989 -28.787 1.00 1.50 H new ATOM 0 HD3 LYS A 12 56.814 40.415 -27.924 1.00 1.50 H new ATOM 0 HE2 LYS A 12 55.489 40.548 -30.107 1.00 1.68 H new ATOM 0 HE3 LYS A 12 56.970 40.981 -30.938 1.00 1.68 H new ATOM 0 HZ1 LYS A 12 56.637 38.563 -30.945 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 58.026 38.960 -30.053 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 56.591 38.540 -29.248 1.00 2.19 H new ATOM 221 N THR A 13 59.572 43.912 -26.463 1.00 0.64 N ATOM 222 CA THR A 13 60.943 43.910 -25.878 1.00 0.62 C ATOM 223 C THR A 13 61.650 42.602 -26.230 1.00 0.66 C ATOM 224 O THR A 13 61.023 41.575 -26.396 1.00 0.75 O ATOM 225 CB THR A 13 60.732 44.021 -24.366 1.00 0.70 C ATOM 226 OG1 THR A 13 59.402 44.447 -24.102 1.00 1.06 O ATOM 227 CG2 THR A 13 61.719 45.035 -23.785 1.00 1.08 C ATOM 0 H THR A 13 58.885 43.347 -25.964 1.00 0.64 H new ATOM 0 HA THR A 13 61.562 44.723 -26.257 1.00 0.62 H new ATOM 0 HB THR A 13 60.899 43.048 -23.904 1.00 0.70 H new ATOM 0 HG1 THR A 13 58.825 43.664 -23.985 1.00 1.06 H new ATOM 0 HG21 THR A 13 61.568 45.114 -22.708 1.00 1.08 H new ATOM 0 HG22 THR A 13 62.739 44.706 -23.986 1.00 1.08 H new ATOM 0 HG23 THR A 13 61.554 46.009 -24.246 1.00 1.08 H new ATOM 235 N CYS A 14 62.948 42.626 -26.352 1.00 0.65 N ATOM 236 CA CYS A 14 63.669 41.370 -26.699 1.00 0.76 C ATOM 237 C CYS A 14 64.959 41.238 -25.879 1.00 0.87 C ATOM 238 O CYS A 14 65.527 42.222 -25.446 1.00 0.99 O ATOM 239 CB CYS A 14 63.957 41.483 -28.196 1.00 0.75 C ATOM 240 SG CYS A 14 62.380 41.561 -29.090 1.00 1.34 S ATOM 0 H CYS A 14 63.535 43.451 -26.228 1.00 0.65 H new ATOM 0 HA CYS A 14 63.084 40.478 -26.472 1.00 0.76 H new ATOM 0 HB2 CYS A 14 64.551 42.374 -28.400 1.00 0.75 H new ATOM 0 HB3 CYS A 14 64.541 40.627 -28.534 1.00 0.75 H new ATOM 245 N PRO A 15 65.360 40.006 -25.670 1.00 1.06 N ATOM 246 CA PRO A 15 66.571 39.709 -24.866 1.00 1.31 C ATOM 247 C PRO A 15 67.839 40.290 -25.517 1.00 1.16 C ATOM 248 O PRO A 15 67.787 40.924 -26.554 1.00 1.40 O ATOM 249 CB PRO A 15 66.601 38.178 -24.865 1.00 1.54 C ATOM 250 CG PRO A 15 65.413 37.653 -25.692 1.00 1.54 C ATOM 251 CD PRO A 15 64.618 38.847 -26.225 1.00 1.24 C ATOM 0 HA PRO A 15 66.543 40.146 -23.868 1.00 1.31 H new ATOM 0 HB2 PRO A 15 67.540 37.820 -25.286 1.00 1.54 H new ATOM 0 HB3 PRO A 15 66.545 37.801 -23.844 1.00 1.54 H new ATOM 0 HG2 PRO A 15 65.770 37.038 -26.518 1.00 1.54 H new ATOM 0 HG3 PRO A 15 64.775 37.019 -25.076 1.00 1.54 H new ATOM 0 HD2 PRO A 15 64.595 38.865 -27.315 1.00 1.24 H new ATOM 0 HD3 PRO A 15 63.583 38.828 -25.885 1.00 1.24 H new ATOM 259 N ALA A 16 68.975 40.083 -24.901 1.00 1.32 N ATOM 260 CA ALA A 16 70.249 40.626 -25.461 1.00 1.21 C ATOM 261 C ALA A 16 70.593 39.948 -26.789 1.00 0.92 C ATOM 262 O ALA A 16 69.988 38.968 -27.172 1.00 1.02 O ATOM 263 CB ALA A 16 71.312 40.309 -24.410 1.00 1.58 C ATOM 0 H ALA A 16 69.075 39.559 -24.031 1.00 1.32 H new ATOM 0 HA ALA A 16 70.178 41.694 -25.666 1.00 1.21 H new ATOM 0 HB1 ALA A 16 72.280 40.678 -24.749 1.00 1.58 H new ATOM 0 HB2 ALA A 16 71.049 40.792 -23.469 1.00 1.58 H new ATOM 0 HB3 ALA A 16 71.366 39.231 -24.261 1.00 1.58 H new ATOM 269 N GLY A 17 71.554 40.473 -27.503 1.00 0.84 N ATOM 270 CA GLY A 17 71.927 39.868 -28.815 1.00 0.75 C ATOM 271 C GLY A 17 71.039 40.463 -29.910 1.00 0.63 C ATOM 272 O GLY A 17 71.472 40.694 -31.021 1.00 0.83 O ATOM 0 H GLY A 17 72.096 41.294 -27.234 1.00 0.84 H new ATOM 0 HA2 GLY A 17 72.977 40.063 -29.034 1.00 0.75 H new ATOM 0 HA3 GLY A 17 71.805 38.785 -28.778 1.00 0.75 H new ATOM 276 N LYS A 18 69.801 40.713 -29.594 1.00 0.60 N ATOM 277 CA LYS A 18 68.862 41.294 -30.590 1.00 0.58 C ATOM 278 C LYS A 18 68.704 42.797 -30.337 1.00 0.59 C ATOM 279 O LYS A 18 68.015 43.208 -29.428 1.00 0.88 O ATOM 280 CB LYS A 18 67.550 40.555 -30.319 1.00 0.71 C ATOM 281 CG LYS A 18 66.771 40.333 -31.615 1.00 1.60 C ATOM 282 CD LYS A 18 65.688 39.273 -31.366 1.00 2.39 C ATOM 283 CE LYS A 18 66.322 38.015 -30.759 1.00 2.98 C ATOM 284 NZ LYS A 18 66.083 38.117 -29.288 1.00 3.59 N ATOM 0 H LYS A 18 69.395 40.537 -28.675 1.00 0.60 H new ATOM 0 HA LYS A 18 69.197 41.185 -31.621 1.00 0.58 H new ATOM 0 HB2 LYS A 18 67.760 39.595 -29.847 1.00 0.71 H new ATOM 0 HB3 LYS A 18 66.943 41.129 -29.619 1.00 0.71 H new ATOM 0 HG2 LYS A 18 66.316 41.266 -31.947 1.00 1.60 H new ATOM 0 HG3 LYS A 18 67.443 40.006 -32.408 1.00 1.60 H new ATOM 0 HD2 LYS A 18 64.927 39.669 -30.693 1.00 2.39 H new ATOM 0 HD3 LYS A 18 65.188 39.024 -32.302 1.00 2.39 H new ATOM 0 HE2 LYS A 18 65.870 37.111 -31.168 1.00 2.98 H new ATOM 0 HE3 LYS A 18 67.388 37.967 -30.981 1.00 2.98 H new ATOM 0 HZ1 LYS A 18 66.916 37.763 -28.776 1.00 3.59 H new ATOM 0 HZ2 LYS A 18 65.915 39.111 -29.032 1.00 3.59 H new ATOM 0 HZ3 LYS A 18 65.251 37.548 -29.031 1.00 3.59 H new ATOM 298 N ASN A 19 69.318 43.622 -31.147 1.00 0.40 N ATOM 299 CA ASN A 19 69.184 45.091 -30.976 1.00 0.50 C ATOM 300 C ASN A 19 68.589 45.656 -32.266 1.00 0.47 C ATOM 301 O ASN A 19 68.536 46.852 -32.482 1.00 0.60 O ATOM 302 CB ASN A 19 70.618 45.595 -30.742 1.00 0.65 C ATOM 303 CG ASN A 19 71.323 45.812 -32.079 1.00 1.16 C ATOM 304 OD1 ASN A 19 71.199 46.960 -32.678 1.00 1.93 O flip ATOM 305 ND2 ASN A 19 71.989 44.929 -32.583 1.00 1.75 N flip ATOM 0 H ASN A 19 69.911 43.333 -31.925 1.00 0.40 H new ATOM 0 HA ASN A 19 68.537 45.389 -30.151 1.00 0.50 H new ATOM 0 HB2 ASN A 19 70.596 46.527 -30.178 1.00 0.65 H new ATOM 0 HB3 ASN A 19 71.172 44.873 -30.143 1.00 0.65 H new ATOM 0 HD21 ASN A 19 72.085 44.030 -32.111 1.00 1.75 H new ATOM 0 HD22 ASN A 19 72.452 45.087 -33.478 1.00 1.75 H new ATOM 312 N LEU A 20 68.157 44.771 -33.126 1.00 0.40 N ATOM 313 CA LEU A 20 67.573 45.161 -34.427 1.00 0.48 C ATOM 314 C LEU A 20 66.060 44.974 -34.386 1.00 0.38 C ATOM 315 O LEU A 20 65.540 44.264 -33.550 1.00 0.56 O ATOM 316 CB LEU A 20 68.182 44.138 -35.384 1.00 0.64 C ATOM 317 CG LEU A 20 68.347 44.725 -36.773 1.00 0.77 C ATOM 318 CD1 LEU A 20 69.827 44.798 -37.146 1.00 1.13 C ATOM 319 CD2 LEU A 20 67.617 43.828 -37.756 1.00 1.34 C ATOM 0 H LEU A 20 68.190 43.764 -32.967 1.00 0.40 H new ATOM 0 HA LEU A 20 67.768 46.198 -34.702 1.00 0.48 H new ATOM 0 HB2 LEU A 20 69.151 43.812 -35.005 1.00 0.64 H new ATOM 0 HB3 LEU A 20 67.545 43.255 -35.432 1.00 0.64 H new ATOM 0 HG LEU A 20 67.936 45.734 -36.799 1.00 0.77 H new ATOM 0 HD11 LEU A 20 69.930 45.221 -38.145 1.00 1.13 H new ATOM 0 HD12 LEU A 20 70.352 45.429 -36.429 1.00 1.13 H new ATOM 0 HD13 LEU A 20 70.256 43.796 -37.130 1.00 1.13 H new ATOM 0 HD21 LEU A 20 67.722 44.231 -38.763 1.00 1.34 H new ATOM 0 HD22 LEU A 20 68.044 42.826 -37.720 1.00 1.34 H new ATOM 0 HD23 LEU A 20 66.561 43.782 -37.492 1.00 1.34 H new ATOM 331 N CYS A 21 65.354 45.562 -35.301 1.00 0.29 N ATOM 332 CA CYS A 21 63.882 45.361 -35.329 1.00 0.31 C ATOM 333 C CYS A 21 63.492 44.959 -36.752 1.00 0.32 C ATOM 334 O CYS A 21 63.697 45.696 -37.700 1.00 0.49 O ATOM 335 CB CYS A 21 63.254 46.691 -34.899 1.00 0.44 C ATOM 336 SG CYS A 21 64.194 47.398 -33.520 1.00 0.57 S ATOM 0 H CYS A 21 65.728 46.171 -36.029 1.00 0.29 H new ATOM 0 HA CYS A 21 63.536 44.574 -34.659 1.00 0.31 H new ATOM 0 HB2 CYS A 21 63.243 47.387 -35.738 1.00 0.44 H new ATOM 0 HB3 CYS A 21 62.217 46.535 -34.602 1.00 0.44 H new ATOM 341 N TYR A 22 62.990 43.764 -36.908 1.00 0.30 N ATOM 342 CA TYR A 22 62.641 43.260 -38.268 1.00 0.31 C ATOM 343 C TYR A 22 61.141 43.368 -38.561 1.00 0.31 C ATOM 344 O TYR A 22 60.308 43.010 -37.750 1.00 0.41 O ATOM 345 CB TYR A 22 63.063 41.787 -38.258 1.00 0.36 C ATOM 346 CG TYR A 22 62.081 40.980 -37.440 1.00 0.38 C ATOM 347 CD1 TYR A 22 62.181 40.935 -36.042 1.00 0.47 C ATOM 348 CD2 TYR A 22 61.069 40.276 -38.092 1.00 0.54 C ATOM 349 CE1 TYR A 22 61.263 40.180 -35.301 1.00 0.52 C ATOM 350 CE2 TYR A 22 60.150 39.521 -37.352 1.00 0.63 C ATOM 351 CZ TYR A 22 60.248 39.473 -35.957 1.00 0.55 C ATOM 352 OH TYR A 22 59.344 38.729 -35.227 1.00 0.66 O ATOM 0 H TYR A 22 62.805 43.111 -36.147 1.00 0.30 H new ATOM 0 HA TYR A 22 63.139 43.847 -39.040 1.00 0.31 H new ATOM 0 HB2 TYR A 22 63.103 41.404 -39.278 1.00 0.36 H new ATOM 0 HB3 TYR A 22 64.065 41.689 -37.841 1.00 0.36 H new ATOM 0 HD1 TYR A 22 62.964 41.481 -35.538 1.00 0.47 H new ATOM 0 HD2 TYR A 22 60.994 40.313 -39.169 1.00 0.54 H new ATOM 0 HE1 TYR A 22 61.338 40.143 -34.224 1.00 0.52 H new ATOM 0 HE2 TYR A 22 59.366 38.976 -37.858 1.00 0.63 H new ATOM 0 HH TYR A 22 58.705 38.302 -35.835 1.00 0.66 H new ATOM 362 N LYS A 23 60.801 43.820 -39.739 1.00 0.39 N ATOM 363 CA LYS A 23 59.365 43.911 -40.129 1.00 0.44 C ATOM 364 C LYS A 23 59.163 43.081 -41.405 1.00 0.45 C ATOM 365 O LYS A 23 59.683 43.413 -42.449 1.00 0.54 O ATOM 366 CB LYS A 23 59.093 45.399 -40.391 1.00 0.56 C ATOM 367 CG LYS A 23 60.200 45.993 -41.266 1.00 1.11 C ATOM 368 CD LYS A 23 59.640 47.169 -42.078 1.00 1.49 C ATOM 369 CE LYS A 23 58.911 48.144 -41.148 1.00 1.72 C ATOM 370 NZ LYS A 23 59.978 49.020 -40.584 1.00 2.18 N ATOM 0 H LYS A 23 61.461 44.132 -40.451 1.00 0.39 H new ATOM 0 HA LYS A 23 58.688 43.531 -39.364 1.00 0.44 H new ATOM 0 HB2 LYS A 23 58.127 45.519 -40.882 1.00 0.56 H new ATOM 0 HB3 LYS A 23 59.038 45.938 -39.445 1.00 0.56 H new ATOM 0 HG2 LYS A 23 61.028 46.330 -40.643 1.00 1.11 H new ATOM 0 HG3 LYS A 23 60.596 45.230 -41.937 1.00 1.11 H new ATOM 0 HD2 LYS A 23 60.450 47.683 -42.596 1.00 1.49 H new ATOM 0 HD3 LYS A 23 58.956 46.801 -42.842 1.00 1.49 H new ATOM 0 HE2 LYS A 23 58.170 48.728 -41.693 1.00 1.72 H new ATOM 0 HE3 LYS A 23 58.380 47.612 -40.358 1.00 1.72 H new ATOM 0 HZ1 LYS A 23 59.595 49.561 -39.782 1.00 2.18 H new ATOM 0 HZ2 LYS A 23 60.773 48.433 -40.259 1.00 2.18 H new ATOM 0 HZ3 LYS A 23 60.311 49.678 -41.318 1.00 2.18 H new ATOM 384 N MET A 24 58.457 41.982 -41.325 1.00 0.47 N ATOM 385 CA MET A 24 58.293 41.117 -42.545 1.00 0.53 C ATOM 386 C MET A 24 56.922 41.269 -43.201 1.00 0.53 C ATOM 387 O MET A 24 55.892 41.169 -42.558 1.00 0.59 O ATOM 388 CB MET A 24 58.477 39.690 -42.035 1.00 0.63 C ATOM 389 CG MET A 24 58.263 38.701 -43.184 1.00 0.99 C ATOM 390 SD MET A 24 56.526 38.196 -43.232 1.00 1.69 S ATOM 391 CE MET A 24 56.274 38.426 -45.011 1.00 2.37 C ATOM 0 H MET A 24 57.991 41.645 -40.483 1.00 0.47 H new ATOM 0 HA MET A 24 59.012 41.397 -43.315 1.00 0.53 H new ATOM 0 HB2 MET A 24 59.477 39.568 -41.619 1.00 0.63 H new ATOM 0 HB3 MET A 24 57.770 39.487 -41.231 1.00 0.63 H new ATOM 0 HG2 MET A 24 58.545 39.161 -44.131 1.00 0.99 H new ATOM 0 HG3 MET A 24 58.903 37.829 -43.051 1.00 0.99 H new ATOM 0 HE1 MET A 24 55.366 39.006 -45.178 1.00 2.37 H new ATOM 0 HE2 MET A 24 57.127 38.957 -45.434 1.00 2.37 H new ATOM 0 HE3 MET A 24 56.177 37.453 -45.493 1.00 2.37 H new ATOM 401 N PHE A 25 56.911 41.499 -44.494 1.00 0.53 N ATOM 402 CA PHE A 25 55.619 41.645 -45.216 1.00 0.58 C ATOM 403 C PHE A 25 55.720 41.184 -46.666 1.00 0.50 C ATOM 404 O PHE A 25 56.726 40.665 -47.110 1.00 0.49 O ATOM 405 CB PHE A 25 55.290 43.133 -45.163 1.00 0.70 C ATOM 406 CG PHE A 25 56.550 43.957 -45.344 1.00 0.61 C ATOM 407 CD1 PHE A 25 57.391 44.211 -44.252 1.00 0.78 C ATOM 408 CD2 PHE A 25 56.874 44.466 -46.607 1.00 0.84 C ATOM 409 CE1 PHE A 25 58.553 44.971 -44.427 1.00 0.83 C ATOM 410 CE2 PHE A 25 58.036 45.226 -46.782 1.00 0.86 C ATOM 411 CZ PHE A 25 58.876 45.479 -45.693 1.00 0.70 C ATOM 0 H PHE A 25 57.744 41.591 -45.075 1.00 0.53 H new ATOM 0 HA PHE A 25 54.848 41.028 -44.754 1.00 0.58 H new ATOM 0 HB2 PHE A 25 54.570 43.381 -45.943 1.00 0.70 H new ATOM 0 HB3 PHE A 25 54.823 43.375 -44.209 1.00 0.70 H new ATOM 0 HD1 PHE A 25 57.143 43.821 -43.276 1.00 0.78 H new ATOM 0 HD2 PHE A 25 56.226 44.272 -47.449 1.00 0.84 H new ATOM 0 HE1 PHE A 25 59.202 45.166 -43.586 1.00 0.83 H new ATOM 0 HE2 PHE A 25 58.284 45.617 -47.758 1.00 0.86 H new ATOM 0 HZ PHE A 25 59.773 46.065 -45.827 1.00 0.70 H new ATOM 421 N MET A 26 54.669 41.407 -47.405 1.00 0.56 N ATOM 422 CA MET A 26 54.650 41.032 -48.839 1.00 0.61 C ATOM 423 C MET A 26 55.132 42.221 -49.667 1.00 0.69 C ATOM 424 O MET A 26 54.860 43.360 -49.342 1.00 1.30 O ATOM 425 CB MET A 26 53.185 40.728 -49.136 1.00 0.72 C ATOM 426 CG MET A 26 52.633 39.786 -48.062 1.00 0.91 C ATOM 427 SD MET A 26 53.326 38.131 -48.297 1.00 1.46 S ATOM 428 CE MET A 26 52.365 37.695 -49.766 1.00 1.96 C ATOM 0 H MET A 26 53.810 41.841 -47.066 1.00 0.56 H new ATOM 0 HA MET A 26 55.294 40.184 -49.074 1.00 0.61 H new ATOM 0 HB2 MET A 26 52.607 41.652 -49.157 1.00 0.72 H new ATOM 0 HB3 MET A 26 53.089 40.270 -50.121 1.00 0.72 H new ATOM 0 HG2 MET A 26 52.886 40.160 -47.070 1.00 0.91 H new ATOM 0 HG3 MET A 26 51.545 39.748 -48.121 1.00 0.91 H new ATOM 0 HE1 MET A 26 51.862 36.742 -49.602 1.00 1.96 H new ATOM 0 HE2 MET A 26 51.622 38.469 -49.957 1.00 1.96 H new ATOM 0 HE3 MET A 26 53.031 37.611 -50.625 1.00 1.96 H new ATOM 438 N VAL A 27 55.843 41.977 -50.731 1.00 0.76 N ATOM 439 CA VAL A 27 56.334 43.113 -51.562 1.00 0.80 C ATOM 440 C VAL A 27 55.151 43.929 -52.092 1.00 0.91 C ATOM 441 O VAL A 27 55.306 45.053 -52.530 1.00 1.08 O ATOM 442 CB VAL A 27 57.109 42.465 -52.708 1.00 0.93 C ATOM 443 CG1 VAL A 27 57.894 43.539 -53.462 1.00 1.11 C ATOM 444 CG2 VAL A 27 58.082 41.428 -52.140 1.00 1.06 C ATOM 0 H VAL A 27 56.105 41.048 -51.061 1.00 0.76 H new ATOM 0 HA VAL A 27 56.960 43.801 -50.995 1.00 0.80 H new ATOM 0 HB VAL A 27 56.412 41.977 -53.390 1.00 0.93 H new ATOM 0 HG11 VAL A 27 58.448 43.078 -54.280 1.00 1.11 H new ATOM 0 HG12 VAL A 27 57.203 44.280 -53.864 1.00 1.11 H new ATOM 0 HG13 VAL A 27 58.592 44.025 -52.780 1.00 1.11 H new ATOM 0 HG21 VAL A 27 58.636 40.964 -52.956 1.00 1.06 H new ATOM 0 HG22 VAL A 27 58.779 41.917 -51.460 1.00 1.06 H new ATOM 0 HG23 VAL A 27 57.524 40.663 -51.599 1.00 1.06 H new ATOM 454 N ALA A 28 53.969 43.382 -52.048 1.00 0.94 N ATOM 455 CA ALA A 28 52.787 44.143 -52.538 1.00 1.10 C ATOM 456 C ALA A 28 52.492 45.294 -51.575 1.00 1.12 C ATOM 457 O ALA A 28 51.878 46.279 -51.932 1.00 1.33 O ATOM 458 CB ALA A 28 51.639 43.135 -52.548 1.00 1.15 C ATOM 0 H ALA A 28 53.771 42.446 -51.696 1.00 0.94 H new ATOM 0 HA ALA A 28 52.943 44.577 -53.526 1.00 1.10 H new ATOM 0 HB1 ALA A 28 50.730 43.623 -52.899 1.00 1.15 H new ATOM 0 HB2 ALA A 28 51.887 42.308 -53.213 1.00 1.15 H new ATOM 0 HB3 ALA A 28 51.480 42.754 -51.539 1.00 1.15 H new ATOM 464 N THR A 29 52.937 45.173 -50.354 1.00 1.00 N ATOM 465 CA THR A 29 52.699 46.253 -49.353 1.00 1.09 C ATOM 466 C THR A 29 54.000 46.531 -48.581 1.00 0.90 C ATOM 467 O THR A 29 54.138 46.170 -47.429 1.00 0.93 O ATOM 468 CB THR A 29 51.577 45.741 -48.419 1.00 1.33 C ATOM 469 OG1 THR A 29 51.900 46.035 -47.068 1.00 1.93 O ATOM 470 CG2 THR A 29 51.387 44.228 -48.578 1.00 1.85 C ATOM 0 H THR A 29 53.458 44.369 -50.005 1.00 1.00 H new ATOM 0 HA THR A 29 52.398 47.191 -49.819 1.00 1.09 H new ATOM 0 HB THR A 29 50.649 46.243 -48.692 1.00 1.33 H new ATOM 0 HG1 THR A 29 52.731 45.577 -46.823 1.00 1.93 H new ATOM 0 HG21 THR A 29 50.593 43.889 -47.912 1.00 1.85 H new ATOM 0 HG22 THR A 29 51.117 44.002 -49.609 1.00 1.85 H new ATOM 0 HG23 THR A 29 52.316 43.716 -48.326 1.00 1.85 H new ATOM 478 N PRO A 30 54.926 47.166 -49.262 1.00 0.99 N ATOM 479 CA PRO A 30 56.242 47.510 -48.662 1.00 1.03 C ATOM 480 C PRO A 30 56.115 48.632 -47.619 1.00 0.85 C ATOM 481 O PRO A 30 57.104 49.171 -47.163 1.00 0.90 O ATOM 482 CB PRO A 30 57.031 48.012 -49.878 1.00 1.44 C ATOM 483 CG PRO A 30 56.125 47.950 -51.122 1.00 1.67 C ATOM 484 CD PRO A 30 54.714 47.560 -50.674 1.00 1.36 C ATOM 0 HA PRO A 30 56.702 46.673 -48.137 1.00 1.03 H new ATOM 0 HB2 PRO A 30 57.372 49.034 -49.710 1.00 1.44 H new ATOM 0 HB3 PRO A 30 57.920 47.400 -50.029 1.00 1.44 H new ATOM 0 HG2 PRO A 30 56.109 48.915 -51.628 1.00 1.67 H new ATOM 0 HG3 PRO A 30 56.511 47.222 -51.836 1.00 1.67 H new ATOM 0 HD2 PRO A 30 54.015 48.392 -50.763 1.00 1.36 H new ATOM 0 HD3 PRO A 30 54.311 46.740 -51.268 1.00 1.36 H new ATOM 492 N LYS A 31 54.919 49.005 -47.250 1.00 0.96 N ATOM 493 CA LYS A 31 54.756 50.104 -46.258 1.00 1.02 C ATOM 494 C LYS A 31 53.839 49.664 -45.110 1.00 0.94 C ATOM 495 O LYS A 31 53.581 50.412 -44.186 1.00 1.09 O ATOM 496 CB LYS A 31 54.125 51.237 -47.064 1.00 1.39 C ATOM 497 CG LYS A 31 53.683 52.361 -46.132 1.00 1.90 C ATOM 498 CD LYS A 31 53.946 53.706 -46.814 1.00 2.38 C ATOM 499 CE LYS A 31 53.606 54.843 -45.850 1.00 2.81 C ATOM 500 NZ LYS A 31 52.117 54.890 -45.811 1.00 3.08 N ATOM 0 H LYS A 31 54.050 48.596 -47.593 1.00 0.96 H new ATOM 0 HA LYS A 31 55.697 50.399 -45.793 1.00 1.02 H new ATOM 0 HB2 LYS A 31 54.841 51.618 -47.792 1.00 1.39 H new ATOM 0 HB3 LYS A 31 53.269 50.862 -47.625 1.00 1.39 H new ATOM 0 HG2 LYS A 31 52.624 52.259 -45.896 1.00 1.90 H new ATOM 0 HG3 LYS A 31 54.227 52.304 -45.189 1.00 1.90 H new ATOM 0 HD2 LYS A 31 54.991 53.773 -47.118 1.00 2.38 H new ATOM 0 HD3 LYS A 31 53.344 53.790 -47.719 1.00 2.38 H new ATOM 0 HE2 LYS A 31 54.020 54.656 -44.859 1.00 2.81 H new ATOM 0 HE3 LYS A 31 54.021 55.790 -46.196 1.00 2.81 H new ATOM 0 HZ1 LYS A 31 51.797 55.870 -45.951 1.00 3.08 H new ATOM 0 HZ2 LYS A 31 51.731 54.288 -46.566 1.00 3.08 H new ATOM 0 HZ3 LYS A 31 51.783 54.545 -44.889 1.00 3.08 H new ATOM 514 N VAL A 32 53.353 48.453 -45.159 1.00 0.83 N ATOM 515 CA VAL A 32 52.462 47.954 -44.067 1.00 0.87 C ATOM 516 C VAL A 32 52.920 46.553 -43.648 1.00 0.69 C ATOM 517 O VAL A 32 52.287 45.573 -43.980 1.00 0.70 O ATOM 518 CB VAL A 32 51.041 47.896 -44.656 1.00 1.10 C ATOM 519 CG1 VAL A 32 50.025 48.194 -43.551 1.00 1.65 C ATOM 520 CG2 VAL A 32 50.881 48.935 -45.771 1.00 1.72 C ATOM 0 H VAL A 32 53.534 47.785 -45.909 1.00 0.83 H new ATOM 0 HA VAL A 32 52.492 48.600 -43.190 1.00 0.87 H new ATOM 0 HB VAL A 32 50.872 46.901 -45.068 1.00 1.10 H new ATOM 0 HG11 VAL A 32 49.017 48.154 -43.963 1.00 1.65 H new ATOM 0 HG12 VAL A 32 50.122 47.453 -42.758 1.00 1.65 H new ATOM 0 HG13 VAL A 32 50.211 49.188 -43.144 1.00 1.65 H new ATOM 0 HG21 VAL A 32 49.871 48.881 -46.177 1.00 1.72 H new ATOM 0 HG22 VAL A 32 51.057 49.932 -45.367 1.00 1.72 H new ATOM 0 HG23 VAL A 32 51.602 48.732 -46.563 1.00 1.72 H new ATOM 530 N PRO A 33 54.022 46.505 -42.943 1.00 0.67 N ATOM 531 CA PRO A 33 54.587 45.212 -42.489 1.00 0.65 C ATOM 532 C PRO A 33 53.565 44.401 -41.674 1.00 0.67 C ATOM 533 O PRO A 33 52.754 44.950 -40.957 1.00 0.79 O ATOM 534 CB PRO A 33 55.780 45.650 -41.633 1.00 0.82 C ATOM 535 CG PRO A 33 55.862 47.188 -41.643 1.00 0.91 C ATOM 536 CD PRO A 33 54.759 47.734 -42.559 1.00 0.84 C ATOM 0 HA PRO A 33 54.867 44.551 -43.309 1.00 0.65 H new ATOM 0 HB2 PRO A 33 55.666 45.285 -40.612 1.00 0.82 H new ATOM 0 HB3 PRO A 33 56.702 45.221 -42.024 1.00 0.82 H new ATOM 0 HG2 PRO A 33 55.742 47.579 -40.633 1.00 0.91 H new ATOM 0 HG3 PRO A 33 56.841 47.512 -41.996 1.00 0.91 H new ATOM 0 HD2 PRO A 33 54.117 48.447 -42.041 1.00 0.84 H new ATOM 0 HD3 PRO A 33 55.171 48.248 -43.427 1.00 0.84 H new ATOM 544 N VAL A 34 53.604 43.088 -41.779 1.00 0.64 N ATOM 545 CA VAL A 34 52.647 42.243 -41.007 1.00 0.72 C ATOM 546 C VAL A 34 53.340 41.632 -39.792 1.00 0.63 C ATOM 547 O VAL A 34 52.697 41.165 -38.883 1.00 0.79 O ATOM 548 CB VAL A 34 52.179 41.139 -41.950 1.00 0.84 C ATOM 549 CG1 VAL A 34 51.315 41.728 -43.067 1.00 1.32 C ATOM 550 CG2 VAL A 34 53.397 40.463 -42.550 1.00 1.19 C ATOM 0 H VAL A 34 54.259 42.572 -42.367 1.00 0.64 H new ATOM 0 HA VAL A 34 51.807 42.837 -40.645 1.00 0.72 H new ATOM 0 HB VAL A 34 51.583 40.414 -41.395 1.00 0.84 H new ATOM 0 HG11 VAL A 34 50.988 40.930 -43.733 1.00 1.32 H new ATOM 0 HG12 VAL A 34 50.444 42.219 -42.633 1.00 1.32 H new ATOM 0 HG13 VAL A 34 51.897 42.456 -43.632 1.00 1.32 H new ATOM 0 HG21 VAL A 34 53.077 39.671 -43.227 1.00 1.19 H new ATOM 0 HG22 VAL A 34 53.985 41.196 -43.102 1.00 1.19 H new ATOM 0 HG23 VAL A 34 54.005 40.035 -41.753 1.00 1.19 H new ATOM 560 N LYS A 35 54.642 41.645 -39.750 1.00 0.46 N ATOM 561 CA LYS A 35 55.333 41.098 -38.551 1.00 0.45 C ATOM 562 C LYS A 35 56.237 42.185 -37.998 1.00 0.39 C ATOM 563 O LYS A 35 56.908 42.871 -38.737 1.00 0.51 O ATOM 564 CB LYS A 35 56.169 39.907 -39.007 1.00 0.59 C ATOM 565 CG LYS A 35 55.447 38.602 -38.664 1.00 0.90 C ATOM 566 CD LYS A 35 56.405 37.683 -37.903 1.00 1.38 C ATOM 567 CE LYS A 35 57.190 36.831 -38.900 1.00 1.90 C ATOM 568 NZ LYS A 35 56.803 35.427 -38.595 1.00 2.50 N ATOM 0 H LYS A 35 55.251 42.006 -40.484 1.00 0.46 H new ATOM 0 HA LYS A 35 54.627 40.784 -37.782 1.00 0.45 H new ATOM 0 HB2 LYS A 35 56.344 39.964 -40.081 1.00 0.59 H new ATOM 0 HB3 LYS A 35 57.146 39.931 -38.523 1.00 0.59 H new ATOM 0 HG2 LYS A 35 54.564 38.809 -38.059 1.00 0.90 H new ATOM 0 HG3 LYS A 35 55.101 38.113 -39.575 1.00 0.90 H new ATOM 0 HD2 LYS A 35 57.090 38.275 -37.296 1.00 1.38 H new ATOM 0 HD3 LYS A 35 55.847 37.042 -37.221 1.00 1.38 H new ATOM 0 HE2 LYS A 35 56.940 37.095 -39.928 1.00 1.90 H new ATOM 0 HE3 LYS A 35 58.264 36.978 -38.785 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 57.302 34.781 -39.240 1.00 2.50 H new ATOM 0 HZ2 LYS A 35 57.059 35.202 -37.613 1.00 2.50 H new ATOM 0 HZ3 LYS A 35 55.777 35.315 -38.719 1.00 2.50 H new ATOM 582 N ARG A 36 56.266 42.348 -36.713 1.00 0.34 N ATOM 583 CA ARG A 36 57.136 43.403 -36.133 1.00 0.33 C ATOM 584 C ARG A 36 57.839 42.891 -34.874 1.00 0.36 C ATOM 585 O ARG A 36 57.231 42.746 -33.832 1.00 0.42 O ATOM 586 CB ARG A 36 56.218 44.579 -35.805 1.00 0.37 C ATOM 587 CG ARG A 36 56.520 45.738 -36.761 1.00 0.54 C ATOM 588 CD ARG A 36 56.181 47.067 -36.085 1.00 0.83 C ATOM 589 NE ARG A 36 56.746 48.110 -36.986 1.00 0.89 N ATOM 590 CZ ARG A 36 55.952 48.947 -37.595 1.00 1.07 C ATOM 591 NH1 ARG A 36 54.746 48.575 -37.929 1.00 1.76 N ATOM 592 NH2 ARG A 36 56.365 50.153 -37.868 1.00 1.27 N ATOM 0 H ARG A 36 55.729 41.801 -36.039 1.00 0.34 H new ATOM 0 HA ARG A 36 57.920 43.699 -36.830 1.00 0.33 H new ATOM 0 HB2 ARG A 36 55.175 44.278 -35.898 1.00 0.37 H new ATOM 0 HB3 ARG A 36 56.368 44.895 -34.773 1.00 0.37 H new ATOM 0 HG2 ARG A 36 57.572 45.722 -37.046 1.00 0.54 H new ATOM 0 HG3 ARG A 36 55.940 45.627 -37.677 1.00 0.54 H new ATOM 0 HD2 ARG A 36 55.104 47.187 -35.968 1.00 0.83 H new ATOM 0 HD3 ARG A 36 56.619 47.126 -35.088 1.00 0.83 H new ATOM 0 HE ARG A 36 57.754 48.170 -37.127 1.00 0.89 H new ATOM 0 HH11 ARG A 36 54.426 47.631 -37.714 1.00 1.76 H new ATOM 0 HH12 ARG A 36 54.124 49.228 -38.405 1.00 1.76 H new ATOM 0 HH21 ARG A 36 57.308 50.441 -37.606 1.00 1.27 H new ATOM 0 HH22 ARG A 36 55.745 50.809 -38.344 1.00 1.27 H new ATOM 606 N GLY A 37 59.114 42.617 -34.956 1.00 0.34 N ATOM 607 CA GLY A 37 59.839 42.113 -33.748 1.00 0.39 C ATOM 608 C GLY A 37 61.313 42.544 -33.781 1.00 0.38 C ATOM 609 O GLY A 37 61.689 43.455 -34.492 1.00 0.44 O ATOM 0 H GLY A 37 59.682 42.718 -35.797 1.00 0.34 H new ATOM 0 HA2 GLY A 37 59.363 42.496 -32.846 1.00 0.39 H new ATOM 0 HA3 GLY A 37 59.774 41.026 -33.706 1.00 0.39 H new ATOM 613 N CYS A 38 62.149 41.893 -33.008 1.00 0.40 N ATOM 614 CA CYS A 38 63.600 42.261 -32.987 1.00 0.41 C ATOM 615 C CYS A 38 64.433 41.181 -33.686 1.00 0.39 C ATOM 616 O CYS A 38 64.078 40.020 -33.691 1.00 0.42 O ATOM 617 CB CYS A 38 64.007 42.333 -31.505 1.00 0.52 C ATOM 618 SG CYS A 38 62.658 42.989 -30.492 1.00 1.14 S ATOM 0 H CYS A 38 61.889 41.123 -32.391 1.00 0.40 H new ATOM 0 HA CYS A 38 63.769 43.206 -33.503 1.00 0.41 H new ATOM 0 HB2 CYS A 38 64.282 41.339 -31.151 1.00 0.52 H new ATOM 0 HB3 CYS A 38 64.888 42.965 -31.397 1.00 0.52 H new ATOM 623 N ILE A 39 65.542 41.551 -34.268 1.00 0.38 N ATOM 624 CA ILE A 39 66.397 40.536 -34.948 1.00 0.39 C ATOM 625 C ILE A 39 67.876 40.745 -34.580 1.00 0.43 C ATOM 626 O ILE A 39 68.311 41.835 -34.254 1.00 0.48 O ATOM 627 CB ILE A 39 66.157 40.758 -36.455 1.00 0.38 C ATOM 628 CG1 ILE A 39 65.085 39.774 -36.932 1.00 0.39 C ATOM 629 CG2 ILE A 39 67.450 40.533 -37.251 1.00 0.43 C ATOM 630 CD1 ILE A 39 65.152 39.589 -38.449 1.00 0.42 C ATOM 0 H ILE A 39 65.892 42.509 -34.302 1.00 0.38 H new ATOM 0 HA ILE A 39 66.150 39.517 -34.649 1.00 0.39 H new ATOM 0 HB ILE A 39 65.829 41.785 -36.617 1.00 0.38 H new ATOM 0 HG12 ILE A 39 65.222 38.812 -36.438 1.00 0.39 H new ATOM 0 HG13 ILE A 39 64.098 40.140 -36.649 1.00 0.39 H new ATOM 0 HG21 ILE A 39 67.257 40.695 -38.312 1.00 0.43 H new ATOM 0 HG22 ILE A 39 68.214 41.232 -36.910 1.00 0.43 H new ATOM 0 HG23 ILE A 39 67.799 39.512 -37.097 1.00 0.43 H new ATOM 0 HD11 ILE A 39 64.381 38.886 -38.764 1.00 0.42 H new ATOM 0 HD12 ILE A 39 64.990 40.549 -38.940 1.00 0.42 H new ATOM 0 HD13 ILE A 39 66.132 39.201 -38.725 1.00 0.42 H new ATOM 642 N ASP A 40 68.651 39.701 -34.655 1.00 0.48 N ATOM 643 CA ASP A 40 70.106 39.815 -34.359 1.00 0.56 C ATOM 644 C ASP A 40 70.858 39.839 -35.696 1.00 0.58 C ATOM 645 O ASP A 40 71.944 40.373 -35.814 1.00 0.67 O ATOM 646 CB ASP A 40 70.454 38.564 -33.545 1.00 0.67 C ATOM 647 CG ASP A 40 69.990 37.313 -34.292 1.00 1.31 C ATOM 648 OD1 ASP A 40 70.696 36.886 -35.191 1.00 1.94 O ATOM 649 OD2 ASP A 40 68.939 36.799 -33.948 1.00 2.02 O ATOM 0 H ASP A 40 68.336 38.765 -34.911 1.00 0.48 H new ATOM 0 HA ASP A 40 70.373 40.715 -33.806 1.00 0.56 H new ATOM 0 HB2 ASP A 40 71.529 38.518 -33.374 1.00 0.67 H new ATOM 0 HB3 ASP A 40 69.977 38.612 -32.566 1.00 0.67 H new ATOM 654 N VAL A 41 70.247 39.275 -36.706 1.00 0.56 N ATOM 655 CA VAL A 41 70.847 39.254 -38.073 1.00 0.63 C ATOM 656 C VAL A 41 69.710 39.323 -39.097 1.00 0.58 C ATOM 657 O VAL A 41 68.832 38.484 -39.112 1.00 0.68 O ATOM 658 CB VAL A 41 71.578 37.918 -38.181 1.00 0.76 C ATOM 659 CG1 VAL A 41 71.998 37.686 -39.634 1.00 1.54 C ATOM 660 CG2 VAL A 41 72.818 37.944 -37.286 1.00 1.57 C ATOM 0 H VAL A 41 69.337 38.818 -36.638 1.00 0.56 H new ATOM 0 HA VAL A 41 71.526 40.087 -38.253 1.00 0.63 H new ATOM 0 HB VAL A 41 70.918 37.112 -37.861 1.00 0.76 H new ATOM 0 HG11 VAL A 41 72.520 36.733 -39.714 1.00 1.54 H new ATOM 0 HG12 VAL A 41 71.113 37.670 -40.270 1.00 1.54 H new ATOM 0 HG13 VAL A 41 72.660 38.490 -39.954 1.00 1.54 H new ATOM 0 HG21 VAL A 41 73.341 36.991 -37.362 1.00 1.57 H new ATOM 0 HG22 VAL A 41 73.481 38.748 -37.606 1.00 1.57 H new ATOM 0 HG23 VAL A 41 72.517 38.111 -36.252 1.00 1.57 H new ATOM 670 N CYS A 42 69.698 40.319 -39.936 1.00 0.72 N ATOM 671 CA CYS A 42 68.590 40.428 -40.928 1.00 0.76 C ATOM 672 C CYS A 42 68.791 39.448 -42.085 1.00 0.76 C ATOM 673 O CYS A 42 69.841 39.422 -42.695 1.00 0.90 O ATOM 674 CB CYS A 42 68.646 41.870 -41.437 1.00 1.00 C ATOM 675 SG CYS A 42 67.415 42.095 -42.749 1.00 1.13 S ATOM 0 H CYS A 42 70.400 41.058 -39.980 1.00 0.72 H new ATOM 0 HA CYS A 42 67.626 40.186 -40.480 1.00 0.76 H new ATOM 0 HB2 CYS A 42 68.452 42.564 -40.619 1.00 1.00 H new ATOM 0 HB3 CYS A 42 69.643 42.095 -41.816 1.00 1.00 H new ATOM 680 N PRO A 43 67.768 38.677 -42.368 1.00 0.70 N ATOM 681 CA PRO A 43 67.840 37.710 -43.480 1.00 0.80 C ATOM 682 C PRO A 43 67.983 38.451 -44.808 1.00 0.89 C ATOM 683 O PRO A 43 68.505 39.547 -44.866 1.00 0.97 O ATOM 684 CB PRO A 43 66.496 36.988 -43.385 1.00 0.80 C ATOM 685 CG PRO A 43 65.704 37.562 -42.196 1.00 0.72 C ATOM 686 CD PRO A 43 66.499 38.727 -41.600 1.00 0.65 C ATOM 0 HA PRO A 43 68.690 37.030 -43.425 1.00 0.80 H new ATOM 0 HB2 PRO A 43 65.933 37.116 -44.310 1.00 0.80 H new ATOM 0 HB3 PRO A 43 66.652 35.917 -43.252 1.00 0.80 H new ATOM 0 HG2 PRO A 43 64.722 37.902 -42.524 1.00 0.72 H new ATOM 0 HG3 PRO A 43 65.539 36.791 -41.443 1.00 0.72 H new ATOM 0 HD2 PRO A 43 65.983 39.679 -41.730 1.00 0.65 H new ATOM 0 HD3 PRO A 43 66.667 38.599 -40.531 1.00 0.65 H new ATOM 694 N LYS A 44 67.534 37.862 -45.876 1.00 1.04 N ATOM 695 CA LYS A 44 67.656 38.541 -47.201 1.00 1.19 C ATOM 696 C LYS A 44 66.274 38.767 -47.816 1.00 1.07 C ATOM 697 O LYS A 44 65.410 37.914 -47.756 1.00 1.52 O ATOM 698 CB LYS A 44 68.483 37.609 -48.112 1.00 1.53 C ATOM 699 CG LYS A 44 69.008 36.388 -47.345 1.00 2.08 C ATOM 700 CD LYS A 44 70.030 36.839 -46.298 1.00 2.77 C ATOM 701 CE LYS A 44 71.367 36.133 -46.546 1.00 3.61 C ATOM 702 NZ LYS A 44 72.281 36.647 -45.483 1.00 4.19 N ATOM 0 H LYS A 44 67.089 36.944 -45.895 1.00 1.04 H new ATOM 0 HA LYS A 44 68.136 39.513 -47.089 1.00 1.19 H new ATOM 0 HB2 LYS A 44 67.868 37.277 -48.948 1.00 1.53 H new ATOM 0 HB3 LYS A 44 69.322 38.163 -48.534 1.00 1.53 H new ATOM 0 HG2 LYS A 44 68.182 35.867 -46.861 1.00 2.08 H new ATOM 0 HG3 LYS A 44 69.468 35.682 -48.036 1.00 2.08 H new ATOM 0 HD2 LYS A 44 70.163 37.920 -46.348 1.00 2.77 H new ATOM 0 HD3 LYS A 44 69.666 36.608 -45.297 1.00 2.77 H new ATOM 0 HE2 LYS A 44 71.259 35.050 -46.483 1.00 3.61 H new ATOM 0 HE3 LYS A 44 71.753 36.358 -47.540 1.00 3.61 H new ATOM 0 HZ1 LYS A 44 73.218 36.208 -45.588 1.00 4.19 H new ATOM 0 HZ2 LYS A 44 72.371 37.679 -45.572 1.00 4.19 H new ATOM 0 HZ3 LYS A 44 71.892 36.413 -44.547 1.00 4.19 H new ATOM 716 N SER A 45 66.063 39.904 -48.422 1.00 1.01 N ATOM 717 CA SER A 45 64.743 40.171 -49.054 1.00 0.93 C ATOM 718 C SER A 45 64.505 39.151 -50.166 1.00 0.94 C ATOM 719 O SER A 45 65.421 38.486 -50.612 1.00 1.20 O ATOM 720 CB SER A 45 64.849 41.582 -49.629 1.00 1.04 C ATOM 721 OG SER A 45 63.912 42.427 -48.975 1.00 1.64 O ATOM 0 H SER A 45 66.747 40.656 -48.506 1.00 1.01 H new ATOM 0 HA SER A 45 63.914 40.092 -48.351 1.00 0.93 H new ATOM 0 HB2 SER A 45 65.860 41.967 -49.494 1.00 1.04 H new ATOM 0 HB3 SER A 45 64.655 41.566 -50.701 1.00 1.04 H new ATOM 0 HG SER A 45 63.979 43.334 -49.340 1.00 1.64 H new ATOM 727 N SER A 46 63.290 39.006 -50.615 1.00 0.84 N ATOM 728 CA SER A 46 63.021 38.013 -51.692 1.00 1.02 C ATOM 729 C SER A 46 62.104 38.610 -52.756 1.00 1.10 C ATOM 730 O SER A 46 61.571 39.691 -52.599 1.00 1.66 O ATOM 731 CB SER A 46 62.329 36.849 -50.981 1.00 1.08 C ATOM 732 OG SER A 46 62.406 35.681 -51.790 1.00 1.49 O ATOM 0 H SER A 46 62.477 39.527 -50.286 1.00 0.84 H new ATOM 0 HA SER A 46 63.932 37.703 -52.204 1.00 1.02 H new ATOM 0 HB2 SER A 46 62.802 36.667 -50.016 1.00 1.08 H new ATOM 0 HB3 SER A 46 61.287 37.099 -50.783 1.00 1.08 H new ATOM 0 HG SER A 46 61.964 34.936 -51.332 1.00 1.49 H new ATOM 738 N LEU A 47 61.905 37.904 -53.837 1.00 1.13 N ATOM 739 CA LEU A 47 61.007 38.422 -54.904 1.00 1.25 C ATOM 740 C LEU A 47 59.550 38.161 -54.515 1.00 0.98 C ATOM 741 O LEU A 47 58.633 38.439 -55.261 1.00 1.23 O ATOM 742 CB LEU A 47 61.385 37.641 -56.159 1.00 1.60 C ATOM 743 CG LEU A 47 61.712 38.624 -57.284 1.00 2.09 C ATOM 744 CD1 LEU A 47 62.361 37.871 -58.445 1.00 2.75 C ATOM 745 CD2 LEU A 47 60.423 39.294 -57.766 1.00 2.50 C ATOM 0 H LEU A 47 62.325 36.994 -54.025 1.00 1.13 H new ATOM 0 HA LEU A 47 61.112 39.496 -55.059 1.00 1.25 H new ATOM 0 HB2 LEU A 47 62.244 37.001 -55.958 1.00 1.60 H new ATOM 0 HB3 LEU A 47 60.564 36.989 -56.457 1.00 1.60 H new ATOM 0 HG LEU A 47 62.400 39.384 -56.915 1.00 2.09 H new ATOM 0 HD11 LEU A 47 62.594 38.571 -59.247 1.00 2.75 H new ATOM 0 HD12 LEU A 47 63.279 37.394 -58.101 1.00 2.75 H new ATOM 0 HD13 LEU A 47 61.673 37.111 -58.815 1.00 2.75 H new ATOM 0 HD21 LEU A 47 60.655 39.995 -58.568 1.00 2.50 H new ATOM 0 HD22 LEU A 47 59.734 38.534 -58.136 1.00 2.50 H new ATOM 0 HD23 LEU A 47 59.960 39.831 -56.938 1.00 2.50 H new ATOM 757 N LEU A 48 59.340 37.633 -53.340 1.00 0.79 N ATOM 758 CA LEU A 48 57.958 37.352 -52.868 1.00 0.85 C ATOM 759 C LEU A 48 57.806 37.893 -51.446 1.00 0.71 C ATOM 760 O LEU A 48 57.013 38.776 -51.180 1.00 0.92 O ATOM 761 CB LEU A 48 57.842 35.824 -52.878 1.00 1.16 C ATOM 762 CG LEU A 48 56.436 35.385 -53.310 1.00 1.67 C ATOM 763 CD1 LEU A 48 56.144 33.993 -52.745 1.00 2.36 C ATOM 764 CD2 LEU A 48 55.380 36.367 -52.784 1.00 2.47 C ATOM 0 H LEU A 48 60.077 37.382 -52.681 1.00 0.79 H new ATOM 0 HA LEU A 48 57.189 37.815 -53.486 1.00 0.85 H new ATOM 0 HB2 LEU A 48 58.584 35.403 -53.557 1.00 1.16 H new ATOM 0 HB3 LEU A 48 58.061 35.432 -51.885 1.00 1.16 H new ATOM 0 HG LEU A 48 56.395 35.367 -54.399 1.00 1.67 H new ATOM 0 HD11 LEU A 48 55.146 33.678 -53.050 1.00 2.36 H new ATOM 0 HD12 LEU A 48 56.880 33.284 -53.125 1.00 2.36 H new ATOM 0 HD13 LEU A 48 56.198 34.023 -51.657 1.00 2.36 H new ATOM 0 HD21 LEU A 48 54.389 36.040 -53.100 1.00 2.47 H new ATOM 0 HD22 LEU A 48 55.422 36.398 -51.695 1.00 2.47 H new ATOM 0 HD23 LEU A 48 55.578 37.362 -53.183 1.00 2.47 H new ATOM 776 N VAL A 49 58.579 37.372 -50.534 1.00 0.54 N ATOM 777 CA VAL A 49 58.516 37.847 -49.125 1.00 0.49 C ATOM 778 C VAL A 49 59.560 38.955 -48.922 1.00 0.42 C ATOM 779 O VAL A 49 60.599 38.956 -49.553 1.00 0.58 O ATOM 780 CB VAL A 49 58.836 36.601 -48.291 1.00 0.65 C ATOM 781 CG1 VAL A 49 60.349 36.356 -48.268 1.00 0.99 C ATOM 782 CG2 VAL A 49 58.316 36.790 -46.864 1.00 1.13 C ATOM 0 H VAL A 49 59.258 36.631 -50.707 1.00 0.54 H new ATOM 0 HA VAL A 49 57.552 38.272 -48.845 1.00 0.49 H new ATOM 0 HB VAL A 49 58.348 35.736 -48.740 1.00 0.65 H new ATOM 0 HG11 VAL A 49 60.565 35.469 -47.673 1.00 0.99 H new ATOM 0 HG12 VAL A 49 60.709 36.207 -49.286 1.00 0.99 H new ATOM 0 HG13 VAL A 49 60.851 37.218 -47.829 1.00 0.99 H new ATOM 0 HG21 VAL A 49 58.545 35.903 -46.273 1.00 1.13 H new ATOM 0 HG22 VAL A 49 58.796 37.659 -46.414 1.00 1.13 H new ATOM 0 HG23 VAL A 49 57.237 36.942 -46.887 1.00 1.13 H new ATOM 792 N LYS A 50 59.294 39.912 -48.073 1.00 0.40 N ATOM 793 CA LYS A 50 60.280 41.019 -47.882 1.00 0.42 C ATOM 794 C LYS A 50 60.249 41.564 -46.449 1.00 0.44 C ATOM 795 O LYS A 50 59.231 42.029 -45.978 1.00 0.55 O ATOM 796 CB LYS A 50 59.813 42.107 -48.850 1.00 0.57 C ATOM 797 CG LYS A 50 61.001 42.965 -49.287 1.00 1.02 C ATOM 798 CD LYS A 50 60.487 44.226 -49.984 1.00 1.41 C ATOM 799 CE LYS A 50 61.670 45.119 -50.361 1.00 1.74 C ATOM 800 NZ LYS A 50 61.059 46.400 -50.812 1.00 2.40 N ATOM 0 H LYS A 50 58.447 39.977 -47.509 1.00 0.40 H new ATOM 0 HA LYS A 50 61.301 40.681 -48.062 1.00 0.42 H new ATOM 0 HB2 LYS A 50 59.343 41.652 -49.722 1.00 0.57 H new ATOM 0 HB3 LYS A 50 59.059 42.732 -48.371 1.00 0.57 H new ATOM 0 HG2 LYS A 50 61.606 43.235 -48.422 1.00 1.02 H new ATOM 0 HG3 LYS A 50 61.644 42.399 -49.962 1.00 1.02 H new ATOM 0 HD2 LYS A 50 59.922 43.956 -50.876 1.00 1.41 H new ATOM 0 HD3 LYS A 50 59.805 44.766 -49.326 1.00 1.41 H new ATOM 0 HE2 LYS A 50 62.333 45.276 -49.510 1.00 1.74 H new ATOM 0 HE3 LYS A 50 62.269 44.667 -51.152 1.00 1.74 H new ATOM 0 HZ1 LYS A 50 61.810 47.065 -51.088 1.00 2.40 H new ATOM 0 HZ2 LYS A 50 60.439 46.221 -51.627 1.00 2.40 H new ATOM 0 HZ3 LYS A 50 60.501 46.810 -50.036 1.00 2.40 H new ATOM 814 N TYR A 51 61.363 41.549 -45.759 1.00 0.44 N ATOM 815 CA TYR A 51 61.378 42.114 -44.374 1.00 0.52 C ATOM 816 C TYR A 51 62.537 43.101 -44.228 1.00 0.45 C ATOM 817 O TYR A 51 63.676 42.774 -44.495 1.00 0.59 O ATOM 818 CB TYR A 51 61.572 40.957 -43.365 1.00 0.73 C ATOM 819 CG TYR A 51 61.832 39.635 -44.043 1.00 0.50 C ATOM 820 CD1 TYR A 51 60.897 39.109 -44.930 1.00 0.69 C ATOM 821 CD2 TYR A 51 63.006 38.931 -43.762 1.00 0.82 C ATOM 822 CE1 TYR A 51 61.132 37.880 -45.548 1.00 0.76 C ATOM 823 CE2 TYR A 51 63.243 37.695 -44.379 1.00 1.19 C ATOM 824 CZ TYR A 51 62.305 37.170 -45.275 1.00 1.05 C ATOM 825 OH TYR A 51 62.534 35.954 -45.887 1.00 1.47 O ATOM 0 H TYR A 51 62.252 41.175 -46.090 1.00 0.44 H new ATOM 0 HA TYR A 51 60.438 42.631 -44.182 1.00 0.52 H new ATOM 0 HB2 TYR A 51 62.406 41.192 -42.704 1.00 0.73 H new ATOM 0 HB3 TYR A 51 60.683 40.872 -42.740 1.00 0.73 H new ATOM 0 HD1 TYR A 51 59.988 39.653 -45.140 1.00 0.69 H new ATOM 0 HD2 TYR A 51 63.729 39.338 -43.071 1.00 0.82 H new ATOM 0 HE1 TYR A 51 60.406 37.477 -46.239 1.00 0.76 H new ATOM 0 HE2 TYR A 51 64.149 37.148 -44.163 1.00 1.19 H new ATOM 0 HH TYR A 51 63.395 35.594 -45.588 1.00 1.47 H new ATOM 835 N VAL A 52 62.266 44.298 -43.786 1.00 0.44 N ATOM 836 CA VAL A 52 63.372 45.278 -43.600 1.00 0.49 C ATOM 837 C VAL A 52 63.913 45.136 -42.182 1.00 0.43 C ATOM 838 O VAL A 52 63.231 44.649 -41.300 1.00 0.56 O ATOM 839 CB VAL A 52 62.758 46.661 -43.814 1.00 0.69 C ATOM 840 CG1 VAL A 52 63.875 47.708 -43.835 1.00 1.02 C ATOM 841 CG2 VAL A 52 62.015 46.689 -45.152 1.00 0.82 C ATOM 0 H VAL A 52 61.334 44.638 -43.547 1.00 0.44 H new ATOM 0 HA VAL A 52 64.196 45.117 -44.295 1.00 0.49 H new ATOM 0 HB VAL A 52 62.060 46.880 -43.006 1.00 0.69 H new ATOM 0 HG11 VAL A 52 63.444 48.697 -43.987 1.00 1.02 H new ATOM 0 HG12 VAL A 52 64.410 47.688 -42.886 1.00 1.02 H new ATOM 0 HG13 VAL A 52 64.567 47.485 -44.647 1.00 1.02 H new ATOM 0 HG21 VAL A 52 61.577 47.675 -45.304 1.00 0.82 H new ATOM 0 HG22 VAL A 52 62.713 46.473 -45.961 1.00 0.82 H new ATOM 0 HG23 VAL A 52 61.225 45.938 -45.145 1.00 0.82 H new ATOM 851 N CYS A 53 65.132 45.519 -41.946 1.00 0.44 N ATOM 852 CA CYS A 53 65.689 45.350 -40.576 1.00 0.47 C ATOM 853 C CYS A 53 66.609 46.521 -40.213 1.00 0.46 C ATOM 854 O CYS A 53 67.477 46.898 -40.976 1.00 0.68 O ATOM 855 CB CYS A 53 66.492 44.037 -40.611 1.00 0.73 C ATOM 856 SG CYS A 53 65.797 42.862 -41.809 1.00 1.39 S ATOM 0 H CYS A 53 65.762 45.937 -42.631 1.00 0.44 H new ATOM 0 HA CYS A 53 64.897 45.324 -39.828 1.00 0.47 H new ATOM 0 HB2 CYS A 53 67.529 44.251 -40.869 1.00 0.73 H new ATOM 0 HB3 CYS A 53 66.497 43.586 -39.619 1.00 0.73 H new ATOM 861 N CYS A 54 66.436 47.087 -39.047 1.00 0.39 N ATOM 862 CA CYS A 54 67.314 48.226 -38.622 1.00 0.51 C ATOM 863 C CYS A 54 67.925 47.917 -37.247 1.00 0.48 C ATOM 864 O CYS A 54 67.247 47.455 -36.351 1.00 0.46 O ATOM 865 CB CYS A 54 66.404 49.462 -38.570 1.00 0.68 C ATOM 866 SG CYS A 54 64.761 49.013 -37.956 1.00 1.08 S ATOM 0 H CYS A 54 65.726 46.812 -38.368 1.00 0.39 H new ATOM 0 HA CYS A 54 68.144 48.392 -39.309 1.00 0.51 H new ATOM 0 HB2 CYS A 54 66.846 50.220 -37.923 1.00 0.68 H new ATOM 0 HB3 CYS A 54 66.320 49.901 -39.564 1.00 0.68 H new ATOM 871 N ASN A 55 69.204 48.154 -37.082 1.00 0.52 N ATOM 872 CA ASN A 55 69.878 47.832 -35.778 1.00 0.55 C ATOM 873 C ASN A 55 69.817 49.020 -34.829 1.00 0.54 C ATOM 874 O ASN A 55 70.794 49.704 -34.597 1.00 0.61 O ATOM 875 CB ASN A 55 71.359 47.509 -36.084 1.00 0.67 C ATOM 876 CG ASN A 55 71.627 47.373 -37.591 1.00 1.48 C ATOM 877 OD1 ASN A 55 71.238 48.223 -38.369 1.00 2.23 O ATOM 878 ND2 ASN A 55 72.291 46.342 -38.032 1.00 2.32 N ATOM 0 H ASN A 55 69.814 48.557 -37.793 1.00 0.52 H new ATOM 0 HA ASN A 55 69.375 46.989 -35.304 1.00 0.55 H new ATOM 0 HB2 ASN A 55 71.992 48.296 -35.674 1.00 0.67 H new ATOM 0 HB3 ASN A 55 71.637 46.582 -35.583 1.00 0.67 H new ATOM 0 HD21 ASN A 55 72.484 46.248 -39.029 1.00 2.32 H new ATOM 0 HD22 ASN A 55 72.618 45.629 -37.380 1.00 2.32 H new ATOM 885 N THR A 56 68.675 49.252 -34.266 1.00 0.49 N ATOM 886 CA THR A 56 68.535 50.386 -33.300 1.00 0.50 C ATOM 887 C THR A 56 67.460 50.070 -32.251 1.00 0.48 C ATOM 888 O THR A 56 67.050 48.938 -32.086 1.00 0.57 O ATOM 889 CB THR A 56 68.175 51.647 -34.117 1.00 0.54 C ATOM 890 OG1 THR A 56 66.909 52.139 -33.706 1.00 1.15 O ATOM 891 CG2 THR A 56 68.144 51.349 -35.623 1.00 1.16 C ATOM 0 H THR A 56 67.826 48.710 -34.427 1.00 0.49 H new ATOM 0 HA THR A 56 69.465 50.550 -32.756 1.00 0.50 H new ATOM 0 HB THR A 56 68.944 52.398 -33.933 1.00 0.54 H new ATOM 0 HG1 THR A 56 66.649 52.891 -34.278 1.00 1.15 H new ATOM 0 HG21 THR A 56 67.888 52.257 -36.168 1.00 1.16 H new ATOM 0 HG22 THR A 56 69.124 50.997 -35.945 1.00 1.16 H new ATOM 0 HG23 THR A 56 67.398 50.581 -35.827 1.00 1.16 H new ATOM 899 N ASP A 57 66.992 51.070 -31.550 1.00 0.58 N ATOM 900 CA ASP A 57 65.933 50.846 -30.519 1.00 0.60 C ATOM 901 C ASP A 57 64.597 51.386 -31.044 1.00 0.59 C ATOM 902 O ASP A 57 64.442 52.570 -31.262 1.00 0.72 O ATOM 903 CB ASP A 57 66.395 51.649 -29.298 1.00 0.71 C ATOM 904 CG ASP A 57 65.743 51.086 -28.035 1.00 0.95 C ATOM 905 OD1 ASP A 57 64.817 50.303 -28.170 1.00 1.47 O ATOM 906 OD2 ASP A 57 66.180 51.446 -26.953 1.00 1.70 O ATOM 0 H ASP A 57 67.299 52.038 -31.647 1.00 0.58 H new ATOM 0 HA ASP A 57 65.791 49.793 -30.277 1.00 0.60 H new ATOM 0 HB2 ASP A 57 67.480 51.603 -29.210 1.00 0.71 H new ATOM 0 HB3 ASP A 57 66.129 52.699 -29.419 1.00 0.71 H new ATOM 911 N ARG A 58 63.636 50.530 -31.267 1.00 0.56 N ATOM 912 CA ARG A 58 62.327 51.015 -31.802 1.00 0.61 C ATOM 913 C ARG A 58 62.555 51.633 -33.181 1.00 0.60 C ATOM 914 O ARG A 58 62.234 52.781 -33.421 1.00 0.87 O ATOM 915 CB ARG A 58 61.858 52.078 -30.807 1.00 0.73 C ATOM 916 CG ARG A 58 60.337 51.991 -30.640 1.00 0.93 C ATOM 917 CD ARG A 58 59.648 52.886 -31.673 1.00 1.16 C ATOM 918 NE ARG A 58 58.375 53.308 -31.024 1.00 1.10 N ATOM 919 CZ ARG A 58 58.283 54.483 -30.463 1.00 1.34 C ATOM 920 NH1 ARG A 58 58.871 55.514 -31.004 1.00 1.91 N ATOM 921 NH2 ARG A 58 57.603 54.625 -29.358 1.00 1.52 N ATOM 0 H ARG A 58 63.697 49.525 -31.104 1.00 0.56 H new ATOM 0 HA ARG A 58 61.590 50.220 -31.911 1.00 0.61 H new ATOM 0 HB2 ARG A 58 62.349 51.931 -29.845 1.00 0.73 H new ATOM 0 HB3 ARG A 58 62.139 53.070 -31.160 1.00 0.73 H new ATOM 0 HG2 ARG A 58 60.007 50.959 -30.762 1.00 0.93 H new ATOM 0 HG3 ARG A 58 60.055 52.299 -29.633 1.00 0.93 H new ATOM 0 HD2 ARG A 58 60.267 53.747 -31.926 1.00 1.16 H new ATOM 0 HD3 ARG A 58 59.459 52.346 -32.601 1.00 1.16 H new ATOM 0 HE ARG A 58 57.573 52.677 -31.018 1.00 1.10 H new ATOM 0 HH11 ARG A 58 59.404 55.403 -31.867 1.00 1.91 H new ATOM 0 HH12 ARG A 58 58.798 56.431 -30.564 1.00 1.91 H new ATOM 0 HH21 ARG A 58 57.144 53.818 -28.934 1.00 1.52 H new ATOM 0 HH22 ARG A 58 57.530 55.542 -28.918 1.00 1.52 H new ATOM 935 N CYS A 59 63.140 50.887 -34.078 1.00 0.44 N ATOM 936 CA CYS A 59 63.432 51.436 -35.431 1.00 0.47 C ATOM 937 C CYS A 59 62.485 50.863 -36.497 1.00 0.60 C ATOM 938 O CYS A 59 62.172 51.520 -37.472 1.00 1.14 O ATOM 939 CB CYS A 59 64.873 51.003 -35.701 1.00 0.42 C ATOM 940 SG CYS A 59 64.926 49.218 -35.960 1.00 0.84 S ATOM 0 H CYS A 59 63.428 49.920 -33.931 1.00 0.44 H new ATOM 0 HA CYS A 59 63.295 52.517 -35.471 1.00 0.47 H new ATOM 0 HB2 CYS A 59 65.261 51.520 -36.578 1.00 0.42 H new ATOM 0 HB3 CYS A 59 65.510 51.278 -34.861 1.00 0.42 H new ATOM 945 N ASN A 60 62.030 49.647 -36.337 1.00 0.52 N ATOM 946 CA ASN A 60 61.115 49.065 -37.367 1.00 0.55 C ATOM 947 C ASN A 60 59.691 49.595 -37.179 1.00 0.71 C ATOM 948 O ASN A 60 58.800 49.086 -37.839 1.00 1.39 O ATOM 949 CB ASN A 60 61.149 47.552 -37.152 1.00 0.41 C ATOM 950 CG ASN A 60 60.480 47.200 -35.823 1.00 0.36 C ATOM 951 OD1 ASN A 60 60.469 47.997 -34.904 1.00 0.43 O ATOM 952 ND2 ASN A 60 59.936 46.022 -35.670 1.00 0.40 N ATOM 953 OXT ASN A 60 59.515 50.499 -36.378 1.00 1.25 O ATOM 0 H ASN A 60 62.248 49.038 -35.549 1.00 0.52 H new ATOM 0 HA ASN A 60 61.429 49.335 -38.376 1.00 0.55 H new ATOM 0 HB2 ASN A 60 60.637 47.048 -37.972 1.00 0.41 H new ATOM 0 HB3 ASN A 60 62.180 47.199 -37.155 1.00 0.41 H new ATOM 0 HD21 ASN A 60 59.503 45.772 -34.781 1.00 0.40 H new ATOM 0 HD22 ASN A 60 59.944 45.353 -36.440 1.00 0.40 H new TER 960 ASN A 60