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 19 ASN : amide:sc= -4.98! K(o=-5.2!,f=-6.2) USER MOD Set 1.2: A 55 ASN : amide:sc= -0.264 K(o=-5.2,f=-6.2!) USER MOD Single : A 1 LEU N :NH3+ -118:sc= 0.0553 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -3.55! C(o=-3.5!,f=-10!) USER MOD Single : A 5 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.175) 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+ 161:sc= -0.458 (180deg=-0.529) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -137:sc= -3.45 (180deg=-9.79!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 33:sc= 0.467 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 -61:sc= -0.242! 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 56 THR OG1 : rot 180:sc= -2.03! USER MOD Single : A 60 ASN : amide:sc= -7.66! C(o=-7.7!,f=-18!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 66.122 45.678 -25.903 1.00 1.26 N ATOM 2 CA LEU A 1 65.705 46.840 -26.743 1.00 0.65 C ATOM 3 C LEU A 1 64.224 46.733 -27.116 1.00 0.58 C ATOM 4 O LEU A 1 63.636 45.673 -27.071 1.00 0.77 O ATOM 5 CB LEU A 1 66.568 46.757 -28.000 1.00 1.19 C ATOM 6 CG LEU A 1 66.518 48.097 -28.729 1.00 1.07 C ATOM 7 CD1 LEU A 1 67.443 49.090 -28.029 1.00 1.38 C ATOM 8 CD2 LEU A 1 66.970 47.909 -30.177 1.00 1.53 C ATOM 0 H1 LEU A 1 66.434 46.018 -24.971 1.00 1.26 H new ATOM 0 H2 LEU A 1 65.318 45.030 -25.783 1.00 1.26 H new ATOM 0 H3 LEU A 1 66.905 45.176 -26.369 1.00 1.26 H new ATOM 0 HA LEU A 1 65.834 47.785 -26.215 1.00 0.65 H new ATOM 0 HB2 LEU A 1 67.596 46.511 -27.735 1.00 1.19 H new ATOM 0 HB3 LEU A 1 66.208 45.961 -28.651 1.00 1.19 H new ATOM 0 HG LEU A 1 65.498 48.480 -28.717 1.00 1.07 H new ATOM 0 HD11 LEU A 1 67.409 50.048 -28.548 1.00 1.38 H new ATOM 0 HD12 LEU A 1 67.118 49.225 -26.997 1.00 1.38 H new ATOM 0 HD13 LEU A 1 68.464 48.707 -28.041 1.00 1.38 H new ATOM 0 HD21 LEU A 1 66.934 48.866 -30.697 1.00 1.53 H new ATOM 0 HD22 LEU A 1 67.990 47.526 -30.193 1.00 1.53 H new ATOM 0 HD23 LEU A 1 66.309 47.200 -30.676 1.00 1.53 H new ATOM 22 N LYS A 2 63.621 47.827 -27.495 1.00 0.45 N ATOM 23 CA LYS A 2 62.182 47.791 -27.881 1.00 0.53 C ATOM 24 C LYS A 2 62.016 48.255 -29.332 1.00 0.43 C ATOM 25 O LYS A 2 62.422 49.341 -29.701 1.00 0.59 O ATOM 26 CB LYS A 2 61.489 48.754 -26.918 1.00 0.71 C ATOM 27 CG LYS A 2 61.008 47.983 -25.685 1.00 1.14 C ATOM 28 CD LYS A 2 60.943 48.926 -24.481 1.00 1.23 C ATOM 29 CE LYS A 2 61.524 48.226 -23.249 1.00 1.98 C ATOM 30 NZ LYS A 2 61.927 49.330 -22.335 1.00 2.63 N ATOM 0 H LYS A 2 64.063 48.744 -27.554 1.00 0.45 H new ATOM 0 HA LYS A 2 61.759 46.788 -27.821 1.00 0.53 H new ATOM 0 HB2 LYS A 2 62.177 49.545 -26.620 1.00 0.71 H new ATOM 0 HB3 LYS A 2 60.645 49.235 -27.412 1.00 0.71 H new ATOM 0 HG2 LYS A 2 60.025 47.551 -25.875 1.00 1.14 H new ATOM 0 HG3 LYS A 2 61.685 47.155 -25.475 1.00 1.14 H new ATOM 0 HD2 LYS A 2 61.501 49.839 -24.690 1.00 1.23 H new ATOM 0 HD3 LYS A 2 59.911 49.220 -24.292 1.00 1.23 H new ATOM 0 HE2 LYS A 2 60.786 47.575 -22.780 1.00 1.98 H new ATOM 0 HE3 LYS A 2 62.377 47.602 -23.515 1.00 1.98 H new ATOM 0 HZ1 LYS A 2 62.335 48.930 -21.466 1.00 2.63 H new ATOM 0 HZ2 LYS A 2 62.635 49.930 -22.806 1.00 2.63 H new ATOM 0 HZ3 LYS A 2 61.093 49.903 -22.094 1.00 2.63 H new ATOM 44 N CYS A 3 61.433 47.430 -30.159 1.00 0.40 N ATOM 45 CA CYS A 3 61.249 47.806 -31.595 1.00 0.40 C ATOM 46 C CYS A 3 59.770 48.048 -31.908 1.00 0.40 C ATOM 47 O CYS A 3 58.908 47.318 -31.466 1.00 0.44 O ATOM 48 CB CYS A 3 61.757 46.597 -32.376 1.00 0.54 C ATOM 49 SG CYS A 3 63.548 46.479 -32.200 1.00 0.68 S ATOM 0 H CYS A 3 61.075 46.510 -29.904 1.00 0.40 H new ATOM 0 HA CYS A 3 61.778 48.725 -31.848 1.00 0.40 H new ATOM 0 HB2 CYS A 3 61.284 45.687 -32.007 1.00 0.54 H new ATOM 0 HB3 CYS A 3 61.489 46.692 -33.428 1.00 0.54 H new ATOM 54 N ASN A 4 59.464 49.051 -32.692 1.00 0.43 N ATOM 55 CA ASN A 4 58.033 49.304 -33.030 1.00 0.49 C ATOM 56 C ASN A 4 57.367 47.986 -33.412 1.00 0.49 C ATOM 57 O ASN A 4 57.904 47.225 -34.193 1.00 0.55 O ATOM 58 CB ASN A 4 58.051 50.235 -34.246 1.00 0.60 C ATOM 59 CG ASN A 4 58.414 51.660 -33.826 1.00 0.99 C ATOM 60 OD1 ASN A 4 57.915 52.166 -32.841 1.00 1.93 O ATOM 61 ND2 ASN A 4 59.264 52.338 -34.550 1.00 1.09 N ATOM 0 H ASN A 4 60.135 49.698 -33.107 1.00 0.43 H new ATOM 0 HA ASN A 4 57.487 49.740 -32.193 1.00 0.49 H new ATOM 0 HB2 ASN A 4 58.771 49.871 -34.979 1.00 0.60 H new ATOM 0 HB3 ASN A 4 57.074 50.230 -34.729 1.00 0.60 H new ATOM 0 HD21 ASN A 4 59.509 53.293 -34.288 1.00 1.09 H new ATOM 0 HD22 ASN A 4 59.683 51.912 -35.377 1.00 1.09 H new ATOM 68 N LYS A 5 56.200 47.701 -32.900 1.00 0.52 N ATOM 69 CA LYS A 5 55.556 46.426 -33.300 1.00 0.60 C ATOM 70 C LYS A 5 54.495 46.706 -34.373 1.00 0.71 C ATOM 71 O LYS A 5 54.230 47.839 -34.722 1.00 1.48 O ATOM 72 CB LYS A 5 54.961 45.785 -32.022 1.00 0.68 C ATOM 73 CG LYS A 5 53.436 45.931 -31.967 1.00 1.03 C ATOM 74 CD LYS A 5 52.858 44.877 -31.027 1.00 1.48 C ATOM 75 CE LYS A 5 53.016 43.496 -31.658 1.00 1.84 C ATOM 76 NZ LYS A 5 51.729 43.255 -32.372 1.00 2.49 N ATOM 0 H LYS A 5 55.680 48.280 -32.241 1.00 0.52 H new ATOM 0 HA LYS A 5 56.269 45.728 -33.740 1.00 0.60 H new ATOM 0 HB2 LYS A 5 55.226 44.728 -31.989 1.00 0.68 H new ATOM 0 HB3 LYS A 5 55.403 46.252 -31.142 1.00 0.68 H new ATOM 0 HG2 LYS A 5 53.168 46.929 -31.621 1.00 1.03 H new ATOM 0 HG3 LYS A 5 53.013 45.815 -32.965 1.00 1.03 H new ATOM 0 HD2 LYS A 5 53.370 44.911 -30.065 1.00 1.48 H new ATOM 0 HD3 LYS A 5 51.805 45.083 -30.835 1.00 1.48 H new ATOM 0 HE2 LYS A 5 53.861 43.470 -32.346 1.00 1.84 H new ATOM 0 HE3 LYS A 5 53.197 42.733 -30.901 1.00 1.84 H new ATOM 0 HZ1 LYS A 5 51.817 42.408 -32.969 1.00 2.49 H new ATOM 0 HZ2 LYS A 5 50.968 43.111 -31.677 1.00 2.49 H new ATOM 0 HZ3 LYS A 5 51.503 44.077 -32.968 1.00 2.49 H new ATOM 90 N LEU A 6 53.898 45.677 -34.895 1.00 0.53 N ATOM 91 CA LEU A 6 52.860 45.849 -35.949 1.00 0.57 C ATOM 92 C LEU A 6 51.972 47.081 -35.690 1.00 0.62 C ATOM 93 O LEU A 6 51.585 47.765 -36.617 1.00 0.72 O ATOM 94 CB LEU A 6 52.051 44.560 -35.881 1.00 0.59 C ATOM 95 CG LEU A 6 52.340 43.709 -37.115 1.00 0.70 C ATOM 96 CD1 LEU A 6 51.491 42.440 -37.068 1.00 1.22 C ATOM 97 CD2 LEU A 6 52.001 44.505 -38.378 1.00 0.78 C ATOM 0 H LEU A 6 54.086 44.709 -34.634 1.00 0.53 H new ATOM 0 HA LEU A 6 53.298 46.022 -36.932 1.00 0.57 H new ATOM 0 HB2 LEU A 6 52.305 44.006 -34.977 1.00 0.59 H new ATOM 0 HB3 LEU A 6 50.987 44.789 -35.826 1.00 0.59 H new ATOM 0 HG LEU A 6 53.396 43.440 -37.130 1.00 0.70 H new ATOM 0 HD11 LEU A 6 51.697 41.832 -37.949 1.00 1.22 H new ATOM 0 HD12 LEU A 6 51.735 41.872 -36.170 1.00 1.22 H new ATOM 0 HD13 LEU A 6 50.435 42.709 -37.052 1.00 1.22 H new ATOM 0 HD21 LEU A 6 52.208 43.896 -39.258 1.00 0.78 H new ATOM 0 HD22 LEU A 6 50.945 44.777 -38.365 1.00 0.78 H new ATOM 0 HD23 LEU A 6 52.608 45.410 -38.412 1.00 0.78 H new ATOM 109 N VAL A 7 51.635 47.384 -34.459 1.00 0.61 N ATOM 110 CA VAL A 7 50.772 48.577 -34.215 1.00 0.71 C ATOM 111 C VAL A 7 51.628 49.766 -33.757 1.00 0.70 C ATOM 112 O VAL A 7 52.608 49.588 -33.061 1.00 0.62 O ATOM 113 CB VAL A 7 49.778 48.188 -33.113 1.00 0.73 C ATOM 114 CG1 VAL A 7 48.462 48.931 -33.354 1.00 0.93 C ATOM 115 CG2 VAL A 7 49.515 46.677 -33.134 1.00 0.79 C ATOM 0 H VAL A 7 51.916 46.865 -33.627 1.00 0.61 H new ATOM 0 HA VAL A 7 50.251 48.874 -35.125 1.00 0.71 H new ATOM 0 HB VAL A 7 50.196 48.456 -32.143 1.00 0.73 H new ATOM 0 HG11 VAL A 7 47.746 48.664 -32.577 1.00 0.93 H new ATOM 0 HG12 VAL A 7 48.641 50.006 -33.328 1.00 0.93 H new ATOM 0 HG13 VAL A 7 48.061 48.654 -34.329 1.00 0.93 H new ATOM 0 HG21 VAL A 7 48.808 46.420 -32.346 1.00 0.79 H new ATOM 0 HG22 VAL A 7 49.099 46.393 -34.101 1.00 0.79 H new ATOM 0 HG23 VAL A 7 50.451 46.143 -32.970 1.00 0.79 H new ATOM 125 N PRO A 8 51.232 50.949 -34.164 1.00 0.84 N ATOM 126 CA PRO A 8 51.980 52.176 -33.795 1.00 0.91 C ATOM 127 C PRO A 8 51.828 52.489 -32.302 1.00 0.92 C ATOM 128 O PRO A 8 52.361 53.463 -31.812 1.00 1.21 O ATOM 129 CB PRO A 8 51.282 53.254 -34.632 1.00 1.09 C ATOM 130 CG PRO A 8 50.150 52.597 -35.442 1.00 1.12 C ATOM 131 CD PRO A 8 50.034 51.127 -35.018 1.00 0.97 C ATOM 0 HA PRO A 8 53.052 52.095 -33.976 1.00 0.91 H new ATOM 0 HB2 PRO A 8 50.880 54.033 -33.984 1.00 1.09 H new ATOM 0 HB3 PRO A 8 51.996 53.733 -35.302 1.00 1.09 H new ATOM 0 HG2 PRO A 8 49.208 53.117 -35.266 1.00 1.12 H new ATOM 0 HG3 PRO A 8 50.359 52.667 -36.510 1.00 1.12 H new ATOM 0 HD2 PRO A 8 49.112 50.933 -34.470 1.00 0.97 H new ATOM 0 HD3 PRO A 8 50.042 50.454 -35.876 1.00 0.97 H new ATOM 139 N LEU A 9 51.089 51.690 -31.580 1.00 0.78 N ATOM 140 CA LEU A 9 50.891 51.971 -30.133 1.00 0.82 C ATOM 141 C LEU A 9 51.930 51.249 -29.264 1.00 0.72 C ATOM 142 O LEU A 9 52.462 51.814 -28.331 1.00 0.84 O ATOM 143 CB LEU A 9 49.488 51.453 -29.818 1.00 0.87 C ATOM 144 CG LEU A 9 48.461 52.529 -30.165 1.00 1.12 C ATOM 145 CD1 LEU A 9 47.055 52.000 -29.875 1.00 1.82 C ATOM 146 CD2 LEU A 9 48.722 53.773 -29.312 1.00 1.60 C ATOM 0 H LEU A 9 50.616 50.857 -31.931 1.00 0.78 H new ATOM 0 HA LEU A 9 51.006 53.034 -29.919 1.00 0.82 H new ATOM 0 HB2 LEU A 9 49.287 50.546 -30.387 1.00 0.87 H new ATOM 0 HB3 LEU A 9 49.414 51.190 -28.763 1.00 0.87 H new ATOM 0 HG LEU A 9 48.543 52.787 -31.221 1.00 1.12 H new ATOM 0 HD11 LEU A 9 46.320 52.766 -30.122 1.00 1.82 H new ATOM 0 HD12 LEU A 9 46.869 51.111 -30.478 1.00 1.82 H new ATOM 0 HD13 LEU A 9 46.973 51.745 -28.818 1.00 1.82 H new ATOM 0 HD21 LEU A 9 47.990 54.543 -29.558 1.00 1.60 H new ATOM 0 HD22 LEU A 9 48.637 53.515 -28.256 1.00 1.60 H new ATOM 0 HD23 LEU A 9 49.725 54.149 -29.514 1.00 1.60 H new ATOM 158 N PHE A 10 52.206 50.004 -29.536 1.00 0.57 N ATOM 159 CA PHE A 10 53.192 49.269 -28.685 1.00 0.55 C ATOM 160 C PHE A 10 54.322 48.688 -29.534 1.00 0.49 C ATOM 161 O PHE A 10 54.254 48.655 -30.748 1.00 0.52 O ATOM 162 CB PHE A 10 52.410 48.142 -27.976 1.00 0.62 C ATOM 163 CG PHE A 10 51.097 47.848 -28.677 1.00 0.64 C ATOM 164 CD1 PHE A 10 50.063 48.791 -28.669 1.00 0.77 C ATOM 165 CD2 PHE A 10 50.922 46.630 -29.329 1.00 0.75 C ATOM 166 CE1 PHE A 10 48.854 48.514 -29.317 1.00 0.92 C ATOM 167 CE2 PHE A 10 49.714 46.348 -29.978 1.00 0.89 C ATOM 168 CZ PHE A 10 48.679 47.291 -29.972 1.00 0.94 C ATOM 0 H PHE A 10 51.799 49.466 -30.301 1.00 0.57 H new ATOM 0 HA PHE A 10 53.655 49.941 -27.962 1.00 0.55 H new ATOM 0 HB2 PHE A 10 53.019 47.238 -27.948 1.00 0.62 H new ATOM 0 HB3 PHE A 10 52.215 48.428 -26.942 1.00 0.62 H new ATOM 0 HD1 PHE A 10 50.198 49.735 -28.162 1.00 0.77 H new ATOM 0 HD2 PHE A 10 51.719 45.902 -29.334 1.00 0.75 H new ATOM 0 HE1 PHE A 10 48.058 49.243 -29.311 1.00 0.92 H new ATOM 0 HE2 PHE A 10 49.580 45.403 -30.483 1.00 0.89 H new ATOM 0 HZ PHE A 10 47.747 47.074 -30.473 1.00 0.94 H new ATOM 178 N TYR A 11 55.368 48.234 -28.899 1.00 0.47 N ATOM 179 CA TYR A 11 56.511 47.658 -29.659 1.00 0.44 C ATOM 180 C TYR A 11 56.877 46.282 -29.108 1.00 0.49 C ATOM 181 O TYR A 11 56.348 45.842 -28.108 1.00 0.62 O ATOM 182 CB TYR A 11 57.674 48.630 -29.462 1.00 0.42 C ATOM 183 CG TYR A 11 57.663 49.184 -28.057 1.00 0.44 C ATOM 184 CD1 TYR A 11 58.010 48.360 -26.979 1.00 0.69 C ATOM 185 CD2 TYR A 11 57.309 50.519 -27.831 1.00 0.70 C ATOM 186 CE1 TYR A 11 58.001 48.870 -25.676 1.00 0.80 C ATOM 187 CE2 TYR A 11 57.300 51.029 -26.528 1.00 0.76 C ATOM 188 CZ TYR A 11 57.647 50.205 -25.450 1.00 0.67 C ATOM 189 OH TYR A 11 57.637 50.707 -24.166 1.00 0.83 O ATOM 0 H TYR A 11 55.479 48.238 -27.885 1.00 0.47 H new ATOM 0 HA TYR A 11 56.266 47.530 -30.713 1.00 0.44 H new ATOM 0 HB2 TYR A 11 58.619 48.120 -29.652 1.00 0.42 H new ATOM 0 HB3 TYR A 11 57.601 49.445 -30.182 1.00 0.42 H new ATOM 0 HD1 TYR A 11 58.285 47.330 -27.154 1.00 0.69 H new ATOM 0 HD2 TYR A 11 57.043 51.155 -28.662 1.00 0.70 H new ATOM 0 HE1 TYR A 11 58.267 48.234 -24.845 1.00 0.80 H new ATOM 0 HE2 TYR A 11 57.025 52.059 -26.353 1.00 0.76 H new ATOM 0 HH TYR A 11 57.370 51.650 -24.185 1.00 0.83 H new ATOM 199 N LYS A 12 57.786 45.606 -29.754 1.00 0.50 N ATOM 200 CA LYS A 12 58.202 44.260 -29.270 1.00 0.59 C ATOM 201 C LYS A 12 59.513 44.377 -28.493 1.00 0.49 C ATOM 202 O LYS A 12 60.268 45.313 -28.670 1.00 0.49 O ATOM 203 CB LYS A 12 58.400 43.421 -30.535 1.00 0.74 C ATOM 204 CG LYS A 12 57.310 42.350 -30.615 1.00 1.20 C ATOM 205 CD LYS A 12 57.703 41.154 -29.746 1.00 1.50 C ATOM 206 CE LYS A 12 57.491 39.860 -30.533 1.00 1.68 C ATOM 207 NZ LYS A 12 56.080 39.474 -30.259 1.00 2.19 N ATOM 0 H LYS A 12 58.260 45.928 -30.598 1.00 0.50 H new ATOM 0 HA LYS A 12 57.467 43.811 -28.602 1.00 0.59 H new ATOM 0 HB2 LYS A 12 58.362 44.060 -31.417 1.00 0.74 H new ATOM 0 HB3 LYS A 12 59.384 42.953 -30.523 1.00 0.74 H new ATOM 0 HG2 LYS A 12 56.358 42.760 -30.279 1.00 1.20 H new ATOM 0 HG3 LYS A 12 57.173 42.032 -31.649 1.00 1.20 H new ATOM 0 HD2 LYS A 12 58.746 41.240 -29.441 1.00 1.50 H new ATOM 0 HD3 LYS A 12 57.104 41.140 -28.835 1.00 1.50 H new ATOM 0 HE2 LYS A 12 57.659 40.014 -31.599 1.00 1.68 H new ATOM 0 HE3 LYS A 12 58.183 39.083 -30.210 1.00 1.68 H new ATOM 0 HZ1 LYS A 12 55.857 38.593 -30.765 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 55.952 39.328 -29.237 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 55.444 40.230 -30.583 1.00 2.19 H new ATOM 221 N THR A 13 59.795 43.442 -27.633 1.00 0.64 N ATOM 222 CA THR A 13 61.061 43.518 -26.853 1.00 0.62 C ATOM 223 C THR A 13 62.134 42.646 -27.504 1.00 0.66 C ATOM 224 O THR A 13 61.872 41.543 -27.942 1.00 0.75 O ATOM 225 CB THR A 13 60.702 42.985 -25.467 1.00 0.70 C ATOM 226 OG1 THR A 13 59.323 43.214 -25.215 1.00 1.06 O ATOM 227 CG2 THR A 13 61.544 43.700 -24.408 1.00 1.08 C ATOM 0 H THR A 13 59.208 42.632 -27.436 1.00 0.64 H new ATOM 0 HA THR A 13 61.461 44.531 -26.809 1.00 0.62 H new ATOM 0 HB THR A 13 60.905 41.915 -25.426 1.00 0.70 H new ATOM 0 HG1 THR A 13 59.091 42.871 -24.327 1.00 1.06 H new ATOM 0 HG21 THR A 13 61.287 43.318 -23.420 1.00 1.08 H new ATOM 0 HG22 THR A 13 62.602 43.521 -24.602 1.00 1.08 H new ATOM 0 HG23 THR A 13 61.345 44.771 -24.447 1.00 1.08 H new ATOM 235 N CYS A 14 63.343 43.133 -27.566 1.00 0.65 N ATOM 236 CA CYS A 14 64.437 42.333 -28.188 1.00 0.76 C ATOM 237 C CYS A 14 65.306 41.717 -27.084 1.00 0.87 C ATOM 238 O CYS A 14 65.788 42.420 -26.218 1.00 0.99 O ATOM 239 CB CYS A 14 65.274 43.318 -29.027 1.00 0.75 C ATOM 240 SG CYS A 14 64.255 44.688 -29.660 1.00 1.34 S ATOM 0 H CYS A 14 63.621 44.049 -27.214 1.00 0.65 H new ATOM 0 HA CYS A 14 64.045 41.525 -28.806 1.00 0.76 H new ATOM 0 HB2 CYS A 14 66.085 43.718 -28.419 1.00 0.75 H new ATOM 0 HB3 CYS A 14 65.733 42.788 -29.862 1.00 0.75 H new ATOM 245 N PRO A 15 65.472 40.418 -27.137 1.00 1.06 N ATOM 246 CA PRO A 15 66.279 39.715 -26.114 1.00 1.31 C ATOM 247 C PRO A 15 67.731 40.202 -26.146 1.00 1.16 C ATOM 248 O PRO A 15 68.041 41.217 -26.736 1.00 1.40 O ATOM 249 CB PRO A 15 66.176 38.253 -26.556 1.00 1.54 C ATOM 250 CG PRO A 15 65.332 38.176 -27.839 1.00 1.54 C ATOM 251 CD PRO A 15 64.870 39.588 -28.208 1.00 1.24 C ATOM 0 HA PRO A 15 65.936 39.881 -25.093 1.00 1.31 H new ATOM 0 HB2 PRO A 15 67.170 37.843 -26.734 1.00 1.54 H new ATOM 0 HB3 PRO A 15 65.720 37.653 -25.769 1.00 1.54 H new ATOM 0 HG2 PRO A 15 65.918 37.746 -28.651 1.00 1.54 H new ATOM 0 HG3 PRO A 15 64.471 37.525 -27.687 1.00 1.54 H new ATOM 0 HD2 PRO A 15 65.222 39.884 -29.196 1.00 1.24 H new ATOM 0 HD3 PRO A 15 63.783 39.668 -28.220 1.00 1.24 H new ATOM 259 N ALA A 16 68.624 39.488 -25.516 1.00 1.32 N ATOM 260 CA ALA A 16 70.051 39.920 -25.516 1.00 1.21 C ATOM 261 C ALA A 16 70.722 39.526 -26.833 1.00 0.92 C ATOM 262 O ALA A 16 70.470 38.470 -27.380 1.00 1.02 O ATOM 263 CB ALA A 16 70.689 39.176 -24.343 1.00 1.58 C ATOM 0 H ALA A 16 68.429 38.628 -25.003 1.00 1.32 H new ATOM 0 HA ALA A 16 70.157 41.000 -25.418 1.00 1.21 H new ATOM 0 HB1 ALA A 16 71.744 39.441 -24.275 1.00 1.58 H new ATOM 0 HB2 ALA A 16 70.184 39.454 -23.418 1.00 1.58 H new ATOM 0 HB3 ALA A 16 70.594 38.101 -24.499 1.00 1.58 H new ATOM 269 N GLY A 17 71.575 40.368 -27.347 1.00 0.84 N ATOM 270 CA GLY A 17 72.264 40.044 -28.628 1.00 0.75 C ATOM 271 C GLY A 17 71.410 40.521 -29.803 1.00 0.63 C ATOM 272 O GLY A 17 71.865 40.588 -30.927 1.00 0.83 O ATOM 0 H GLY A 17 71.825 41.267 -26.935 1.00 0.84 H new ATOM 0 HA2 GLY A 17 73.242 40.523 -28.658 1.00 0.75 H new ATOM 0 HA3 GLY A 17 72.433 38.970 -28.700 1.00 0.75 H new ATOM 276 N LYS A 18 70.178 40.859 -29.552 1.00 0.60 N ATOM 277 CA LYS A 18 69.297 41.338 -30.654 1.00 0.58 C ATOM 278 C LYS A 18 68.955 42.810 -30.399 1.00 0.59 C ATOM 279 O LYS A 18 68.220 43.133 -29.488 1.00 0.88 O ATOM 280 CB LYS A 18 68.015 40.460 -30.636 1.00 0.71 C ATOM 281 CG LYS A 18 68.125 39.252 -29.670 1.00 1.60 C ATOM 282 CD LYS A 18 67.919 37.941 -30.437 1.00 2.39 C ATOM 283 CE LYS A 18 66.473 37.845 -30.928 1.00 2.98 C ATOM 284 NZ LYS A 18 66.085 36.421 -30.705 1.00 3.59 N ATOM 0 H LYS A 18 69.741 40.825 -28.631 1.00 0.60 H new ATOM 0 HA LYS A 18 69.782 41.260 -31.627 1.00 0.58 H new ATOM 0 HB2 LYS A 18 67.163 41.075 -30.345 1.00 0.71 H new ATOM 0 HB3 LYS A 18 67.816 40.096 -31.644 1.00 0.71 H new ATOM 0 HG2 LYS A 18 69.103 39.250 -29.188 1.00 1.60 H new ATOM 0 HG3 LYS A 18 67.380 39.340 -28.879 1.00 1.60 H new ATOM 0 HD2 LYS A 18 68.603 37.894 -31.284 1.00 2.39 H new ATOM 0 HD3 LYS A 18 68.150 37.093 -29.793 1.00 2.39 H new ATOM 0 HE2 LYS A 18 65.822 38.523 -30.375 1.00 2.98 H new ATOM 0 HE3 LYS A 18 66.395 38.116 -31.981 1.00 2.98 H new ATOM 0 HZ1 LYS A 18 65.048 36.340 -30.705 1.00 3.59 H new ATOM 0 HZ2 LYS A 18 66.479 35.831 -31.465 1.00 3.59 H new ATOM 0 HZ3 LYS A 18 66.457 36.099 -29.789 1.00 3.59 H new ATOM 298 N ASN A 19 69.489 43.709 -31.184 1.00 0.40 N ATOM 299 CA ASN A 19 69.199 45.144 -30.960 1.00 0.50 C ATOM 300 C ASN A 19 68.511 45.717 -32.184 1.00 0.47 C ATOM 301 O ASN A 19 68.166 46.881 -32.225 1.00 0.60 O ATOM 302 CB ASN A 19 70.564 45.796 -30.754 1.00 0.65 C ATOM 303 CG ASN A 19 70.401 47.309 -30.660 1.00 1.16 C ATOM 304 OD1 ASN A 19 70.609 48.018 -31.625 1.00 1.93 O ATOM 305 ND2 ASN A 19 70.036 47.836 -29.531 1.00 1.75 N ATOM 0 H ASN A 19 70.111 43.506 -31.967 1.00 0.40 H new ATOM 0 HA ASN A 19 68.541 45.314 -30.108 1.00 0.50 H new ATOM 0 HB2 ASN A 19 71.027 45.413 -29.845 1.00 0.65 H new ATOM 0 HB3 ASN A 19 71.227 45.543 -31.581 1.00 0.65 H new ATOM 0 HD21 ASN A 19 69.923 48.847 -29.453 1.00 1.75 H new ATOM 0 HD22 ASN A 19 69.862 47.239 -28.722 1.00 1.75 H new ATOM 312 N LEU A 20 68.298 44.921 -33.192 1.00 0.40 N ATOM 313 CA LEU A 20 67.626 45.476 -34.380 1.00 0.48 C ATOM 314 C LEU A 20 66.130 45.294 -34.273 1.00 0.38 C ATOM 315 O LEU A 20 65.584 44.885 -33.267 1.00 0.56 O ATOM 316 CB LEU A 20 68.091 44.698 -35.617 1.00 0.64 C ATOM 317 CG LEU A 20 69.599 44.544 -35.654 1.00 0.77 C ATOM 318 CD1 LEU A 20 69.941 43.064 -35.710 1.00 1.13 C ATOM 319 CD2 LEU A 20 70.140 45.209 -36.917 1.00 1.34 C ATOM 0 H LEU A 20 68.555 43.935 -33.240 1.00 0.40 H new ATOM 0 HA LEU A 20 67.870 46.536 -34.454 1.00 0.48 H new ATOM 0 HB2 LEU A 20 67.625 43.713 -35.622 1.00 0.64 H new ATOM 0 HB3 LEU A 20 67.756 45.214 -36.517 1.00 0.64 H new ATOM 0 HG LEU A 20 70.037 45.004 -34.768 1.00 0.77 H new ATOM 0 HD11 LEU A 20 71.024 42.942 -35.737 1.00 1.13 H new ATOM 0 HD12 LEU A 20 69.541 42.565 -34.828 1.00 1.13 H new ATOM 0 HD13 LEU A 20 69.504 42.623 -36.606 1.00 1.13 H new ATOM 0 HD21 LEU A 20 71.224 45.101 -36.949 1.00 1.34 H new ATOM 0 HD22 LEU A 20 69.702 44.734 -37.795 1.00 1.34 H new ATOM 0 HD23 LEU A 20 69.881 46.268 -36.910 1.00 1.34 H new ATOM 331 N CYS A 21 65.485 45.558 -35.351 1.00 0.29 N ATOM 332 CA CYS A 21 64.024 45.391 -35.429 1.00 0.31 C ATOM 333 C CYS A 21 63.717 44.865 -36.822 1.00 0.32 C ATOM 334 O CYS A 21 64.307 45.304 -37.797 1.00 0.49 O ATOM 335 CB CYS A 21 63.453 46.787 -35.210 1.00 0.44 C ATOM 336 SG CYS A 21 64.241 47.545 -33.763 1.00 0.57 S ATOM 0 H CYS A 21 65.920 45.893 -36.210 1.00 0.29 H new ATOM 0 HA CYS A 21 63.603 44.699 -34.700 1.00 0.31 H new ATOM 0 HB2 CYS A 21 63.622 47.403 -36.093 1.00 0.44 H new ATOM 0 HB3 CYS A 21 62.375 46.731 -35.062 1.00 0.44 H new ATOM 341 N TYR A 22 62.845 43.905 -36.935 1.00 0.30 N ATOM 342 CA TYR A 22 62.566 43.343 -38.277 1.00 0.31 C ATOM 343 C TYR A 22 61.076 43.421 -38.622 1.00 0.31 C ATOM 344 O TYR A 22 60.221 42.968 -37.885 1.00 0.41 O ATOM 345 CB TYR A 22 63.075 41.905 -38.201 1.00 0.36 C ATOM 346 CG TYR A 22 61.983 40.964 -37.770 1.00 0.38 C ATOM 347 CD1 TYR A 22 61.763 40.700 -36.411 1.00 0.47 C ATOM 348 CD2 TYR A 22 61.200 40.346 -38.740 1.00 0.54 C ATOM 349 CE1 TYR A 22 60.752 39.809 -36.032 1.00 0.52 C ATOM 350 CE2 TYR A 22 60.189 39.459 -38.366 1.00 0.63 C ATOM 351 CZ TYR A 22 59.963 39.187 -37.011 1.00 0.55 C ATOM 352 OH TYR A 22 58.969 38.304 -36.641 1.00 0.66 O ATOM 0 H TYR A 22 62.320 43.491 -36.164 1.00 0.30 H new ATOM 0 HA TYR A 22 63.058 43.901 -39.074 1.00 0.31 H new ATOM 0 HB2 TYR A 22 63.458 41.600 -39.175 1.00 0.36 H new ATOM 0 HB3 TYR A 22 63.907 41.847 -37.499 1.00 0.36 H new ATOM 0 HD1 TYR A 22 62.371 41.182 -35.660 1.00 0.47 H new ATOM 0 HD2 TYR A 22 61.375 40.553 -39.785 1.00 0.54 H new ATOM 0 HE1 TYR A 22 60.580 39.601 -34.986 1.00 0.52 H new ATOM 0 HE2 TYR A 22 59.581 38.983 -39.121 1.00 0.63 H new ATOM 0 HH TYR A 22 58.518 37.965 -37.442 1.00 0.66 H new ATOM 362 N LYS A 23 60.773 43.980 -39.757 1.00 0.39 N ATOM 363 CA LYS A 23 59.349 44.086 -40.191 1.00 0.44 C ATOM 364 C LYS A 23 59.148 43.246 -41.447 1.00 0.45 C ATOM 365 O LYS A 23 59.675 43.552 -42.495 1.00 0.54 O ATOM 366 CB LYS A 23 59.074 45.575 -40.475 1.00 0.56 C ATOM 367 CG LYS A 23 60.253 46.243 -41.203 1.00 1.11 C ATOM 368 CD LYS A 23 60.299 47.724 -40.837 1.00 1.49 C ATOM 369 CE LYS A 23 59.048 48.420 -41.373 1.00 1.72 C ATOM 370 NZ LYS A 23 59.559 49.607 -42.112 1.00 2.18 N ATOM 0 H LYS A 23 61.453 44.372 -40.409 1.00 0.39 H new ATOM 0 HA LYS A 23 58.664 43.719 -39.427 1.00 0.44 H new ATOM 0 HB2 LYS A 23 58.172 45.669 -41.080 1.00 0.56 H new ATOM 0 HB3 LYS A 23 58.884 46.095 -39.536 1.00 0.56 H new ATOM 0 HG2 LYS A 23 61.189 45.759 -40.924 1.00 1.11 H new ATOM 0 HG3 LYS A 23 60.143 46.126 -42.281 1.00 1.11 H new ATOM 0 HD2 LYS A 23 60.358 47.841 -39.755 1.00 1.49 H new ATOM 0 HD3 LYS A 23 61.193 48.186 -41.256 1.00 1.49 H new ATOM 0 HE2 LYS A 23 58.479 47.761 -42.029 1.00 1.72 H new ATOM 0 HE3 LYS A 23 58.382 48.716 -40.562 1.00 1.72 H new ATOM 0 HZ1 LYS A 23 58.759 50.138 -42.511 1.00 2.18 H new ATOM 0 HZ2 LYS A 23 60.091 50.219 -41.461 1.00 2.18 H new ATOM 0 HZ3 LYS A 23 60.185 49.294 -42.881 1.00 2.18 H new ATOM 384 N MET A 24 58.406 42.177 -41.348 1.00 0.47 N ATOM 385 CA MET A 24 58.194 41.305 -42.540 1.00 0.53 C ATOM 386 C MET A 24 56.881 41.649 -43.244 1.00 0.53 C ATOM 387 O MET A 24 55.834 41.733 -42.627 1.00 0.59 O ATOM 388 CB MET A 24 58.136 39.884 -41.983 1.00 0.63 C ATOM 389 CG MET A 24 57.963 38.891 -43.136 1.00 0.99 C ATOM 390 SD MET A 24 58.355 37.215 -42.568 1.00 1.69 S ATOM 391 CE MET A 24 59.987 37.577 -41.876 1.00 2.37 C ATOM 0 H MET A 24 57.938 41.869 -40.496 1.00 0.47 H new ATOM 0 HA MET A 24 58.986 41.432 -43.278 1.00 0.53 H new ATOM 0 HB2 MET A 24 59.049 39.661 -41.431 1.00 0.63 H new ATOM 0 HB3 MET A 24 57.307 39.791 -41.281 1.00 0.63 H new ATOM 0 HG2 MET A 24 56.940 38.928 -43.509 1.00 0.99 H new ATOM 0 HG3 MET A 24 58.615 39.165 -43.965 1.00 0.99 H new ATOM 0 HE1 MET A 24 60.685 36.788 -42.157 1.00 2.37 H new ATOM 0 HE2 MET A 24 60.343 38.531 -42.264 1.00 2.37 H new ATOM 0 HE3 MET A 24 59.918 37.630 -40.789 1.00 2.37 H new ATOM 401 N PHE A 25 56.934 41.826 -44.540 1.00 0.53 N ATOM 402 CA PHE A 25 55.694 42.139 -45.310 1.00 0.58 C ATOM 403 C PHE A 25 55.760 41.535 -46.698 1.00 0.50 C ATOM 404 O PHE A 25 56.816 41.202 -47.201 1.00 0.49 O ATOM 405 CB PHE A 25 55.630 43.663 -45.472 1.00 0.70 C ATOM 406 CG PHE A 25 57.004 44.246 -45.625 1.00 0.61 C ATOM 407 CD1 PHE A 25 57.752 44.584 -44.494 1.00 0.78 C ATOM 408 CD2 PHE A 25 57.523 44.466 -46.898 1.00 0.84 C ATOM 409 CE1 PHE A 25 59.015 45.138 -44.634 1.00 0.83 C ATOM 410 CE2 PHE A 25 58.791 45.025 -47.042 1.00 0.86 C ATOM 411 CZ PHE A 25 59.542 45.362 -45.909 1.00 0.70 C ATOM 0 H PHE A 25 57.785 41.767 -45.099 1.00 0.53 H new ATOM 0 HA PHE A 25 54.828 41.738 -44.784 1.00 0.58 H new ATOM 0 HB2 PHE A 25 55.025 43.915 -46.343 1.00 0.70 H new ATOM 0 HB3 PHE A 25 55.138 44.104 -44.605 1.00 0.70 H new ATOM 0 HD1 PHE A 25 57.345 44.413 -43.508 1.00 0.78 H new ATOM 0 HD2 PHE A 25 56.944 44.204 -47.771 1.00 0.84 H new ATOM 0 HE1 PHE A 25 59.592 45.396 -43.758 1.00 0.83 H new ATOM 0 HE2 PHE A 25 59.195 45.199 -48.028 1.00 0.86 H new ATOM 0 HZ PHE A 25 60.526 45.794 -46.020 1.00 0.70 H new ATOM 421 N MET A 26 54.641 41.455 -47.344 1.00 0.56 N ATOM 422 CA MET A 26 54.632 40.949 -48.730 1.00 0.61 C ATOM 423 C MET A 26 54.813 42.162 -49.637 1.00 0.69 C ATOM 424 O MET A 26 54.013 43.070 -49.598 1.00 1.30 O ATOM 425 CB MET A 26 53.256 40.307 -48.928 1.00 0.72 C ATOM 426 CG MET A 26 53.090 39.145 -47.947 1.00 0.91 C ATOM 427 SD MET A 26 53.079 37.584 -48.865 1.00 1.46 S ATOM 428 CE MET A 26 53.554 36.501 -47.495 1.00 1.96 C ATOM 0 H MET A 26 53.730 41.719 -46.970 1.00 0.56 H new ATOM 0 HA MET A 26 55.414 40.222 -48.948 1.00 0.61 H new ATOM 0 HB2 MET A 26 52.471 41.047 -48.769 1.00 0.72 H new ATOM 0 HB3 MET A 26 53.154 39.950 -49.953 1.00 0.72 H new ATOM 0 HG2 MET A 26 53.903 39.148 -47.221 1.00 0.91 H new ATOM 0 HG3 MET A 26 52.162 39.257 -47.386 1.00 0.91 H new ATOM 0 HE1 MET A 26 53.608 35.471 -47.847 1.00 1.96 H new ATOM 0 HE2 MET A 26 54.528 36.805 -47.112 1.00 1.96 H new ATOM 0 HE3 MET A 26 52.813 36.574 -46.699 1.00 1.96 H new ATOM 438 N VAL A 27 55.881 42.194 -50.401 1.00 0.76 N ATOM 439 CA VAL A 27 56.180 43.368 -51.305 1.00 0.80 C ATOM 440 C VAL A 27 54.966 44.300 -51.466 1.00 0.91 C ATOM 441 O VAL A 27 55.057 45.494 -51.261 1.00 1.08 O ATOM 442 CB VAL A 27 56.568 42.790 -52.680 1.00 0.93 C ATOM 443 CG1 VAL A 27 57.821 43.508 -53.181 1.00 1.11 C ATOM 444 CG2 VAL A 27 56.860 41.284 -52.601 1.00 1.06 C ATOM 0 H VAL A 27 56.573 41.446 -50.441 1.00 0.76 H new ATOM 0 HA VAL A 27 56.982 43.964 -50.870 1.00 0.80 H new ATOM 0 HB VAL A 27 55.730 42.940 -53.361 1.00 0.93 H new ATOM 0 HG11 VAL A 27 58.105 43.107 -54.154 1.00 1.11 H new ATOM 0 HG12 VAL A 27 57.617 44.575 -53.274 1.00 1.11 H new ATOM 0 HG13 VAL A 27 58.636 43.355 -52.473 1.00 1.11 H new ATOM 0 HG21 VAL A 27 57.130 40.913 -53.590 1.00 1.06 H new ATOM 0 HG22 VAL A 27 57.685 41.109 -51.910 1.00 1.06 H new ATOM 0 HG23 VAL A 27 55.973 40.759 -52.247 1.00 1.06 H new ATOM 454 N ALA A 28 53.836 43.759 -51.837 1.00 0.94 N ATOM 455 CA ALA A 28 52.608 44.594 -52.025 1.00 1.10 C ATOM 456 C ALA A 28 52.532 45.752 -51.016 1.00 1.12 C ATOM 457 O ALA A 28 52.310 46.887 -51.390 1.00 1.33 O ATOM 458 CB ALA A 28 51.449 43.626 -51.796 1.00 1.15 C ATOM 0 H ALA A 28 53.708 42.764 -52.020 1.00 0.94 H new ATOM 0 HA ALA A 28 52.595 45.058 -53.011 1.00 1.10 H new ATOM 0 HB1 ALA A 28 50.504 44.156 -51.915 1.00 1.15 H new ATOM 0 HB2 ALA A 28 51.504 42.815 -52.522 1.00 1.15 H new ATOM 0 HB3 ALA A 28 51.511 43.216 -50.788 1.00 1.15 H new ATOM 464 N THR A 29 52.695 45.486 -49.747 1.00 1.00 N ATOM 465 CA THR A 29 52.606 46.592 -48.739 1.00 1.09 C ATOM 466 C THR A 29 53.988 47.222 -48.493 1.00 0.90 C ATOM 467 O THR A 29 54.877 46.571 -47.986 1.00 0.93 O ATOM 468 CB THR A 29 52.082 45.940 -47.456 1.00 1.33 C ATOM 469 OG1 THR A 29 53.038 45.013 -46.961 1.00 1.93 O ATOM 470 CG2 THR A 29 50.767 45.218 -47.748 1.00 1.85 C ATOM 0 H THR A 29 52.884 44.560 -49.364 1.00 1.00 H new ATOM 0 HA THR A 29 51.952 47.393 -49.084 1.00 1.09 H new ATOM 0 HB THR A 29 51.911 46.712 -46.705 1.00 1.33 H new ATOM 0 HG1 THR A 29 53.941 45.334 -47.166 1.00 1.93 H new ATOM 0 HG21 THR A 29 50.396 44.755 -46.834 1.00 1.85 H new ATOM 0 HG22 THR A 29 50.033 45.934 -48.116 1.00 1.85 H new ATOM 0 HG23 THR A 29 50.934 44.449 -48.503 1.00 1.85 H new ATOM 478 N PRO A 30 54.129 48.475 -48.862 1.00 0.99 N ATOM 479 CA PRO A 30 55.417 49.184 -48.675 1.00 1.03 C ATOM 480 C PRO A 30 55.728 49.392 -47.188 1.00 0.85 C ATOM 481 O PRO A 30 56.846 49.198 -46.751 1.00 0.90 O ATOM 482 CB PRO A 30 55.164 50.531 -49.355 1.00 1.44 C ATOM 483 CG PRO A 30 53.724 50.548 -49.900 1.00 1.67 C ATOM 484 CD PRO A 30 53.030 49.243 -49.492 1.00 1.36 C ATOM 0 HA PRO A 30 56.266 48.635 -49.082 1.00 1.03 H new ATOM 0 HB2 PRO A 30 55.309 51.345 -48.645 1.00 1.44 H new ATOM 0 HB3 PRO A 30 55.876 50.684 -50.166 1.00 1.44 H new ATOM 0 HG2 PRO A 30 53.180 51.405 -49.504 1.00 1.67 H new ATOM 0 HG3 PRO A 30 53.732 50.649 -50.985 1.00 1.67 H new ATOM 0 HD2 PRO A 30 52.209 49.421 -48.797 1.00 1.36 H new ATOM 0 HD3 PRO A 30 52.612 48.720 -50.352 1.00 1.36 H new ATOM 492 N LYS A 31 54.760 49.803 -46.407 1.00 0.96 N ATOM 493 CA LYS A 31 55.037 50.040 -44.958 1.00 1.02 C ATOM 494 C LYS A 31 53.883 49.551 -44.072 1.00 0.94 C ATOM 495 O LYS A 31 53.555 50.165 -43.076 1.00 1.09 O ATOM 496 CB LYS A 31 55.199 51.556 -44.836 1.00 1.39 C ATOM 497 CG LYS A 31 56.292 51.872 -43.812 1.00 1.90 C ATOM 498 CD LYS A 31 56.640 53.362 -43.877 1.00 2.38 C ATOM 499 CE LYS A 31 57.973 53.606 -43.166 1.00 2.81 C ATOM 500 NZ LYS A 31 57.794 54.899 -42.449 1.00 3.08 N ATOM 0 H LYS A 31 53.801 49.983 -46.706 1.00 0.96 H new ATOM 0 HA LYS A 31 55.920 49.494 -44.626 1.00 1.02 H new ATOM 0 HB2 LYS A 31 55.459 51.984 -45.804 1.00 1.39 H new ATOM 0 HB3 LYS A 31 54.256 52.010 -44.529 1.00 1.39 H new ATOM 0 HG2 LYS A 31 55.952 51.611 -42.810 1.00 1.90 H new ATOM 0 HG3 LYS A 31 57.179 51.272 -44.014 1.00 1.90 H new ATOM 0 HD2 LYS A 31 56.705 53.686 -44.916 1.00 2.38 H new ATOM 0 HD3 LYS A 31 55.852 53.951 -43.408 1.00 2.38 H new ATOM 0 HE2 LYS A 31 58.204 52.798 -42.472 1.00 2.81 H new ATOM 0 HE3 LYS A 31 58.797 53.660 -43.878 1.00 2.81 H new ATOM 0 HZ1 LYS A 31 58.667 55.135 -41.936 1.00 3.08 H new ATOM 0 HZ2 LYS A 31 57.582 55.650 -43.136 1.00 3.08 H new ATOM 0 HZ3 LYS A 31 57.008 54.815 -41.773 1.00 3.08 H new ATOM 514 N VAL A 32 53.288 48.437 -44.401 1.00 0.83 N ATOM 515 CA VAL A 32 52.183 47.898 -43.548 1.00 0.87 C ATOM 516 C VAL A 32 52.334 46.374 -43.445 1.00 0.69 C ATOM 517 O VAL A 32 51.432 45.638 -43.792 1.00 0.70 O ATOM 518 CB VAL A 32 50.879 48.268 -44.264 1.00 1.10 C ATOM 519 CG1 VAL A 32 49.689 47.788 -43.429 1.00 1.65 C ATOM 520 CG2 VAL A 32 50.788 49.787 -44.433 1.00 1.72 C ATOM 0 H VAL A 32 53.516 47.875 -45.221 1.00 0.83 H new ATOM 0 HA VAL A 32 52.197 48.306 -42.537 1.00 0.87 H new ATOM 0 HB VAL A 32 50.864 47.793 -45.245 1.00 1.10 H new ATOM 0 HG11 VAL A 32 48.760 48.050 -43.936 1.00 1.65 H new ATOM 0 HG12 VAL A 32 49.743 46.706 -43.306 1.00 1.65 H new ATOM 0 HG13 VAL A 32 49.715 48.266 -42.450 1.00 1.65 H new ATOM 0 HG21 VAL A 32 49.859 50.041 -44.943 1.00 1.72 H new ATOM 0 HG22 VAL A 32 50.807 50.264 -43.453 1.00 1.72 H new ATOM 0 HG23 VAL A 32 51.634 50.139 -45.024 1.00 1.72 H new ATOM 530 N PRO A 33 53.497 45.948 -43.001 1.00 0.67 N ATOM 531 CA PRO A 33 53.792 44.500 -42.890 1.00 0.65 C ATOM 532 C PRO A 33 52.850 43.752 -41.952 1.00 0.67 C ATOM 533 O PRO A 33 52.082 44.324 -41.205 1.00 0.79 O ATOM 534 CB PRO A 33 55.242 44.485 -42.378 1.00 0.82 C ATOM 535 CG PRO A 33 55.725 45.937 -42.219 1.00 0.91 C ATOM 536 CD PRO A 33 54.579 46.884 -42.593 1.00 0.84 C ATOM 0 HA PRO A 33 53.655 43.982 -43.839 1.00 0.65 H new ATOM 0 HB2 PRO A 33 55.300 43.961 -41.424 1.00 0.82 H new ATOM 0 HB3 PRO A 33 55.884 43.948 -43.076 1.00 0.82 H new ATOM 0 HG2 PRO A 33 56.044 46.118 -41.193 1.00 0.91 H new ATOM 0 HG3 PRO A 33 56.589 46.119 -42.858 1.00 0.91 H new ATOM 0 HD2 PRO A 33 54.278 47.507 -41.751 1.00 0.84 H new ATOM 0 HD3 PRO A 33 54.859 47.557 -43.404 1.00 0.84 H new ATOM 544 N VAL A 34 52.914 42.450 -42.025 1.00 0.64 N ATOM 545 CA VAL A 34 52.046 41.583 -41.191 1.00 0.72 C ATOM 546 C VAL A 34 52.766 41.161 -39.907 1.00 0.63 C ATOM 547 O VAL A 34 52.148 40.721 -38.959 1.00 0.79 O ATOM 548 CB VAL A 34 51.770 40.367 -42.072 1.00 0.84 C ATOM 549 CG1 VAL A 34 50.939 40.791 -43.286 1.00 1.32 C ATOM 550 CG2 VAL A 34 53.101 39.790 -42.547 1.00 1.19 C ATOM 0 H VAL A 34 53.548 41.944 -42.643 1.00 0.64 H new ATOM 0 HA VAL A 34 51.134 42.091 -40.877 1.00 0.72 H new ATOM 0 HB VAL A 34 51.220 39.617 -41.504 1.00 0.84 H new ATOM 0 HG11 VAL A 34 50.743 39.922 -43.914 1.00 1.32 H new ATOM 0 HG12 VAL A 34 49.994 41.216 -42.949 1.00 1.32 H new ATOM 0 HG13 VAL A 34 51.488 41.537 -43.860 1.00 1.32 H new ATOM 0 HG21 VAL A 34 52.916 38.920 -43.178 1.00 1.19 H new ATOM 0 HG22 VAL A 34 53.641 40.545 -43.119 1.00 1.19 H new ATOM 0 HG23 VAL A 34 53.697 39.493 -41.684 1.00 1.19 H new ATOM 560 N LYS A 35 54.066 41.282 -39.866 1.00 0.46 N ATOM 561 CA LYS A 35 54.805 40.876 -38.634 1.00 0.45 C ATOM 562 C LYS A 35 55.760 41.986 -38.186 1.00 0.39 C ATOM 563 O LYS A 35 56.335 42.691 -38.993 1.00 0.51 O ATOM 564 CB LYS A 35 55.589 39.626 -39.033 1.00 0.59 C ATOM 565 CG LYS A 35 54.688 38.395 -38.914 1.00 0.90 C ATOM 566 CD LYS A 35 55.525 37.189 -38.482 1.00 1.38 C ATOM 567 CE LYS A 35 54.602 36.015 -38.153 1.00 1.90 C ATOM 568 NZ LYS A 35 55.137 34.873 -38.947 1.00 2.50 N ATOM 0 H LYS A 35 54.645 41.641 -40.625 1.00 0.46 H new ATOM 0 HA LYS A 35 54.130 40.688 -37.799 1.00 0.45 H new ATOM 0 HB2 LYS A 35 55.954 39.724 -40.055 1.00 0.59 H new ATOM 0 HB3 LYS A 35 56.463 39.513 -38.392 1.00 0.59 H new ATOM 0 HG2 LYS A 35 53.896 38.580 -38.188 1.00 0.90 H new ATOM 0 HG3 LYS A 35 54.204 38.192 -39.869 1.00 0.90 H new ATOM 0 HD2 LYS A 35 56.216 36.910 -39.277 1.00 1.38 H new ATOM 0 HD3 LYS A 35 56.128 37.445 -37.611 1.00 1.38 H new ATOM 0 HE2 LYS A 35 54.610 35.793 -37.086 1.00 1.90 H new ATOM 0 HE3 LYS A 35 53.570 36.236 -38.424 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 54.556 34.028 -38.775 1.00 2.50 H new ATOM 0 HZ2 LYS A 35 55.110 35.111 -39.959 1.00 2.50 H new ATOM 0 HZ3 LYS A 35 56.119 34.682 -38.662 1.00 2.50 H new ATOM 582 N ARG A 36 55.933 42.138 -36.902 1.00 0.34 N ATOM 583 CA ARG A 36 56.852 43.196 -36.383 1.00 0.33 C ATOM 584 C ARG A 36 57.602 42.669 -35.152 1.00 0.36 C ATOM 585 O ARG A 36 57.000 42.369 -34.140 1.00 0.42 O ATOM 586 CB ARG A 36 55.937 44.345 -35.990 1.00 0.37 C ATOM 587 CG ARG A 36 56.256 45.576 -36.836 1.00 0.54 C ATOM 588 CD ARG A 36 55.745 45.373 -38.268 1.00 0.83 C ATOM 589 NE ARG A 36 55.230 46.708 -38.706 1.00 0.89 N ATOM 590 CZ ARG A 36 55.837 47.808 -38.339 1.00 1.07 C ATOM 591 NH1 ARG A 36 57.056 48.048 -38.738 1.00 1.27 N ATOM 592 NH2 ARG A 36 55.228 48.659 -37.560 1.00 1.76 N ATOM 0 H ARG A 36 55.477 41.574 -36.185 1.00 0.34 H new ATOM 0 HA ARG A 36 57.600 43.500 -37.116 1.00 0.33 H new ATOM 0 HB2 ARG A 36 54.895 44.056 -36.131 1.00 0.37 H new ATOM 0 HB3 ARG A 36 56.064 44.577 -34.933 1.00 0.37 H new ATOM 0 HG2 ARG A 36 55.792 46.460 -36.397 1.00 0.54 H new ATOM 0 HG3 ARG A 36 57.332 45.752 -36.846 1.00 0.54 H new ATOM 0 HD2 ARG A 36 56.544 45.027 -38.924 1.00 0.83 H new ATOM 0 HD3 ARG A 36 54.958 44.620 -38.300 1.00 0.83 H new ATOM 0 HE ARG A 36 54.399 46.761 -39.295 1.00 0.89 H new ATOM 0 HH11 ARG A 36 57.538 47.378 -39.337 1.00 1.27 H new ATOM 0 HH12 ARG A 36 57.527 48.906 -38.451 1.00 1.27 H new ATOM 0 HH21 ARG A 36 54.280 48.467 -37.237 1.00 1.76 H new ATOM 0 HH22 ARG A 36 55.700 49.516 -37.273 1.00 1.76 H new ATOM 606 N GLY A 37 58.905 42.541 -35.215 1.00 0.34 N ATOM 607 CA GLY A 37 59.637 42.012 -34.023 1.00 0.39 C ATOM 608 C GLY A 37 61.061 42.572 -33.933 1.00 0.38 C ATOM 609 O GLY A 37 61.409 43.549 -34.567 1.00 0.44 O ATOM 0 H GLY A 37 59.483 42.774 -36.022 1.00 0.34 H new ATOM 0 HA2 GLY A 37 59.088 42.268 -33.117 1.00 0.39 H new ATOM 0 HA3 GLY A 37 59.677 40.924 -34.075 1.00 0.39 H new ATOM 613 N CYS A 38 61.885 41.932 -33.139 1.00 0.40 N ATOM 614 CA CYS A 38 63.303 42.371 -32.974 1.00 0.41 C ATOM 615 C CYS A 38 64.232 41.354 -33.634 1.00 0.39 C ATOM 616 O CYS A 38 64.025 40.162 -33.522 1.00 0.42 O ATOM 617 CB CYS A 38 63.545 42.374 -31.464 1.00 0.52 C ATOM 618 SG CYS A 38 62.764 43.818 -30.707 1.00 1.14 S ATOM 0 H CYS A 38 61.629 41.111 -32.590 1.00 0.40 H new ATOM 0 HA CYS A 38 63.489 43.345 -33.426 1.00 0.41 H new ATOM 0 HB2 CYS A 38 63.144 41.462 -31.023 1.00 0.52 H new ATOM 0 HB3 CYS A 38 64.616 42.382 -31.260 1.00 0.52 H new ATOM 623 N ILE A 39 65.251 41.793 -34.316 1.00 0.38 N ATOM 624 CA ILE A 39 66.158 40.804 -34.960 1.00 0.39 C ATOM 625 C ILE A 39 67.621 41.043 -34.559 1.00 0.43 C ATOM 626 O ILE A 39 68.020 42.143 -34.234 1.00 0.48 O ATOM 627 CB ILE A 39 65.943 41.002 -36.474 1.00 0.38 C ATOM 628 CG1 ILE A 39 64.972 39.920 -36.964 1.00 0.39 C ATOM 629 CG2 ILE A 39 67.277 40.905 -37.241 1.00 0.43 C ATOM 630 CD1 ILE A 39 65.057 39.763 -38.482 1.00 0.42 C ATOM 0 H ILE A 39 65.493 42.774 -34.454 1.00 0.38 H new ATOM 0 HA ILE A 39 65.938 39.782 -34.650 1.00 0.39 H new ATOM 0 HB ILE A 39 65.531 41.995 -36.657 1.00 0.38 H new ATOM 0 HG12 ILE A 39 65.205 38.971 -36.482 1.00 0.39 H new ATOM 0 HG13 ILE A 39 63.954 40.182 -36.677 1.00 0.39 H new ATOM 0 HG21 ILE A 39 67.096 41.048 -38.306 1.00 0.43 H new ATOM 0 HG22 ILE A 39 67.960 41.675 -36.882 1.00 0.43 H new ATOM 0 HG23 ILE A 39 67.720 39.923 -37.078 1.00 0.43 H new ATOM 0 HD11 ILE A 39 64.360 38.991 -38.807 1.00 0.42 H new ATOM 0 HD12 ILE A 39 64.801 40.708 -38.960 1.00 0.42 H new ATOM 0 HD13 ILE A 39 66.071 39.478 -38.762 1.00 0.42 H new ATOM 642 N ASP A 40 68.416 40.006 -34.613 1.00 0.48 N ATOM 643 CA ASP A 40 69.868 40.132 -34.290 1.00 0.56 C ATOM 644 C ASP A 40 70.655 39.822 -35.572 1.00 0.58 C ATOM 645 O ASP A 40 71.764 40.277 -35.772 1.00 0.67 O ATOM 646 CB ASP A 40 70.143 39.108 -33.174 1.00 0.67 C ATOM 647 CG ASP A 40 70.570 37.758 -33.764 1.00 1.31 C ATOM 648 OD1 ASP A 40 69.722 37.083 -34.323 1.00 2.02 O ATOM 649 OD2 ASP A 40 71.738 37.423 -33.642 1.00 1.94 O ATOM 0 H ASP A 40 68.117 39.066 -34.870 1.00 0.48 H new ATOM 0 HA ASP A 40 70.162 41.125 -33.950 1.00 0.56 H new ATOM 0 HB2 ASP A 40 70.924 39.484 -32.514 1.00 0.67 H new ATOM 0 HB3 ASP A 40 69.248 38.977 -32.566 1.00 0.67 H new ATOM 654 N VAL A 41 70.048 39.069 -36.453 1.00 0.56 N ATOM 655 CA VAL A 41 70.685 38.729 -37.755 1.00 0.63 C ATOM 656 C VAL A 41 69.630 38.918 -38.856 1.00 0.58 C ATOM 657 O VAL A 41 68.603 38.266 -38.860 1.00 0.68 O ATOM 658 CB VAL A 41 71.134 37.259 -37.618 1.00 0.76 C ATOM 659 CG1 VAL A 41 70.073 36.304 -38.179 1.00 1.54 C ATOM 660 CG2 VAL A 41 72.444 37.051 -38.381 1.00 1.57 C ATOM 0 H VAL A 41 69.119 38.669 -36.319 1.00 0.56 H new ATOM 0 HA VAL A 41 71.541 39.354 -38.011 1.00 0.63 H new ATOM 0 HB VAL A 41 71.275 37.043 -36.559 1.00 0.76 H new ATOM 0 HG11 VAL A 41 70.415 35.275 -38.070 1.00 1.54 H new ATOM 0 HG12 VAL A 41 69.139 36.436 -37.632 1.00 1.54 H new ATOM 0 HG13 VAL A 41 69.909 36.522 -39.234 1.00 1.54 H new ATOM 0 HG21 VAL A 41 72.761 36.013 -38.284 1.00 1.57 H new ATOM 0 HG22 VAL A 41 72.293 37.287 -39.434 1.00 1.57 H new ATOM 0 HG23 VAL A 41 73.213 37.705 -37.969 1.00 1.57 H new ATOM 670 N CYS A 42 69.846 39.825 -39.764 1.00 0.72 N ATOM 671 CA CYS A 42 68.822 40.059 -40.823 1.00 0.76 C ATOM 672 C CYS A 42 68.779 38.890 -41.817 1.00 0.76 C ATOM 673 O CYS A 42 69.770 38.583 -42.451 1.00 0.90 O ATOM 674 CB CYS A 42 69.250 41.346 -41.525 1.00 1.00 C ATOM 675 SG CYS A 42 67.981 41.818 -42.726 1.00 1.13 S ATOM 0 H CYS A 42 70.679 40.411 -39.821 1.00 0.72 H new ATOM 0 HA CYS A 42 67.821 40.140 -40.399 1.00 0.76 H new ATOM 0 HB2 CYS A 42 69.391 42.143 -40.795 1.00 1.00 H new ATOM 0 HB3 CYS A 42 70.207 41.200 -42.027 1.00 1.00 H new ATOM 680 N PRO A 43 67.620 38.276 -41.928 1.00 0.70 N ATOM 681 CA PRO A 43 67.442 37.137 -42.857 1.00 0.80 C ATOM 682 C PRO A 43 67.681 37.590 -44.298 1.00 0.89 C ATOM 683 O PRO A 43 67.865 38.760 -44.565 1.00 0.97 O ATOM 684 CB PRO A 43 65.977 36.751 -42.637 1.00 0.80 C ATOM 685 CG PRO A 43 65.368 37.682 -41.578 1.00 0.72 C ATOM 686 CD PRO A 43 66.437 38.682 -41.135 1.00 0.65 C ATOM 0 HA PRO A 43 68.132 36.312 -42.683 1.00 0.80 H new ATOM 0 HB2 PRO A 43 65.422 36.831 -43.572 1.00 0.80 H new ATOM 0 HB3 PRO A 43 65.906 35.713 -42.311 1.00 0.80 H new ATOM 0 HG2 PRO A 43 64.505 38.207 -41.987 1.00 0.72 H new ATOM 0 HG3 PRO A 43 65.014 37.104 -40.725 1.00 0.72 H new ATOM 0 HD2 PRO A 43 66.142 39.709 -41.348 1.00 0.65 H new ATOM 0 HD3 PRO A 43 66.628 38.620 -40.064 1.00 0.65 H new ATOM 694 N LYS A 44 67.683 36.675 -45.226 1.00 1.04 N ATOM 695 CA LYS A 44 67.913 37.060 -46.649 1.00 1.19 C ATOM 696 C LYS A 44 66.639 37.650 -47.262 1.00 1.07 C ATOM 697 O LYS A 44 65.576 37.065 -47.186 1.00 1.52 O ATOM 698 CB LYS A 44 68.284 35.760 -47.364 1.00 1.53 C ATOM 699 CG LYS A 44 69.451 35.087 -46.643 1.00 2.08 C ATOM 700 CD LYS A 44 69.194 33.581 -46.566 1.00 2.77 C ATOM 701 CE LYS A 44 69.396 33.096 -45.127 1.00 3.61 C ATOM 702 NZ LYS A 44 69.542 31.616 -45.233 1.00 4.19 N ATOM 0 H LYS A 44 67.536 35.679 -45.063 1.00 1.04 H new ATOM 0 HA LYS A 44 68.692 37.817 -46.739 1.00 1.19 H new ATOM 0 HB2 LYS A 44 67.425 35.090 -47.389 1.00 1.53 H new ATOM 0 HB3 LYS A 44 68.555 35.968 -48.399 1.00 1.53 H new ATOM 0 HG2 LYS A 44 70.383 35.282 -47.173 1.00 2.08 H new ATOM 0 HG3 LYS A 44 69.562 35.501 -45.641 1.00 2.08 H new ATOM 0 HD2 LYS A 44 68.179 33.358 -46.896 1.00 2.77 H new ATOM 0 HD3 LYS A 44 69.871 33.052 -47.237 1.00 2.77 H new ATOM 0 HE2 LYS A 44 70.281 33.548 -44.679 1.00 3.61 H new ATOM 0 HE3 LYS A 44 68.547 33.364 -44.498 1.00 3.61 H new ATOM 0 HZ1 LYS A 44 69.684 31.212 -44.285 1.00 4.19 H new ATOM 0 HZ2 LYS A 44 68.682 31.212 -45.656 1.00 4.19 H new ATOM 0 HZ3 LYS A 44 70.362 31.390 -45.832 1.00 4.19 H new ATOM 716 N SER A 45 66.741 38.796 -47.878 1.00 1.01 N ATOM 717 CA SER A 45 65.537 39.413 -48.508 1.00 0.93 C ATOM 718 C SER A 45 65.156 38.628 -49.767 1.00 0.94 C ATOM 719 O SER A 45 65.992 38.327 -50.597 1.00 1.20 O ATOM 720 CB SER A 45 65.957 40.838 -48.874 1.00 1.04 C ATOM 721 OG SER A 45 66.288 41.556 -47.692 1.00 1.64 O ATOM 0 H SER A 45 67.604 39.332 -47.973 1.00 1.01 H new ATOM 0 HA SER A 45 64.672 39.407 -47.844 1.00 0.93 H new ATOM 0 HB2 SER A 45 66.813 40.814 -49.549 1.00 1.04 H new ATOM 0 HB3 SER A 45 65.148 41.342 -49.403 1.00 1.04 H new ATOM 0 HG SER A 45 66.558 42.468 -47.928 1.00 1.64 H new ATOM 727 N SER A 46 63.906 38.286 -49.919 1.00 0.84 N ATOM 728 CA SER A 46 63.494 37.517 -51.125 1.00 1.02 C ATOM 729 C SER A 46 62.617 38.383 -52.031 1.00 1.10 C ATOM 730 O SER A 46 62.247 39.486 -51.684 1.00 1.66 O ATOM 731 CB SER A 46 62.702 36.329 -50.580 1.00 1.08 C ATOM 732 OG SER A 46 61.310 36.614 -50.652 1.00 1.49 O ATOM 0 H SER A 46 63.156 38.505 -49.263 1.00 0.84 H new ATOM 0 HA SER A 46 64.346 37.198 -51.726 1.00 1.02 H new ATOM 0 HB2 SER A 46 62.931 35.431 -51.155 1.00 1.08 H new ATOM 0 HB3 SER A 46 62.990 36.129 -49.548 1.00 1.08 H new ATOM 0 HG SER A 46 61.108 37.399 -50.101 1.00 1.49 H new ATOM 738 N LEU A 47 62.283 37.893 -53.193 1.00 1.13 N ATOM 739 CA LEU A 47 61.427 38.691 -54.119 1.00 1.25 C ATOM 740 C LEU A 47 59.960 38.605 -53.690 1.00 0.98 C ATOM 741 O LEU A 47 59.166 39.478 -53.979 1.00 1.23 O ATOM 742 CB LEU A 47 61.616 38.043 -55.490 1.00 1.60 C ATOM 743 CG LEU A 47 62.412 38.984 -56.393 1.00 2.09 C ATOM 744 CD1 LEU A 47 61.677 40.319 -56.519 1.00 2.75 C ATOM 745 CD2 LEU A 47 63.793 39.221 -55.784 1.00 2.50 C ATOM 0 H LEU A 47 62.564 36.977 -53.542 1.00 1.13 H new ATOM 0 HA LEU A 47 61.698 39.747 -54.123 1.00 1.25 H new ATOM 0 HB2 LEU A 47 62.139 37.093 -55.386 1.00 1.60 H new ATOM 0 HB3 LEU A 47 60.646 37.826 -55.938 1.00 1.60 H new ATOM 0 HG LEU A 47 62.518 38.535 -57.381 1.00 2.09 H new ATOM 0 HD11 LEU A 47 62.247 40.989 -57.163 1.00 2.75 H new ATOM 0 HD12 LEU A 47 60.690 40.152 -56.951 1.00 2.75 H new ATOM 0 HD13 LEU A 47 61.569 40.770 -55.532 1.00 2.75 H new ATOM 0 HD21 LEU A 47 64.363 39.892 -56.426 1.00 2.50 H new ATOM 0 HD22 LEU A 47 63.683 39.670 -54.797 1.00 2.50 H new ATOM 0 HD23 LEU A 47 64.319 38.271 -55.694 1.00 2.50 H new ATOM 757 N LEU A 48 59.595 37.558 -53.005 1.00 0.79 N ATOM 758 CA LEU A 48 58.180 37.416 -52.562 1.00 0.85 C ATOM 759 C LEU A 48 57.999 38.039 -51.176 1.00 0.71 C ATOM 760 O LEU A 48 57.201 38.937 -50.988 1.00 0.92 O ATOM 761 CB LEU A 48 57.939 35.910 -52.514 1.00 1.16 C ATOM 762 CG LEU A 48 56.685 35.576 -53.320 1.00 1.67 C ATOM 763 CD1 LEU A 48 57.020 34.519 -54.372 1.00 2.36 C ATOM 764 CD2 LEU A 48 55.608 35.034 -52.378 1.00 2.47 C ATOM 0 H LEU A 48 60.215 36.795 -52.733 1.00 0.79 H new ATOM 0 HA LEU A 48 57.479 37.920 -53.227 1.00 0.85 H new ATOM 0 HB2 LEU A 48 58.799 35.379 -52.921 1.00 1.16 H new ATOM 0 HB3 LEU A 48 57.820 35.581 -51.482 1.00 1.16 H new ATOM 0 HG LEU A 48 56.319 36.476 -53.815 1.00 1.67 H new ATOM 0 HD11 LEU A 48 56.125 34.281 -54.947 1.00 2.36 H new ATOM 0 HD12 LEU A 48 57.790 34.903 -55.041 1.00 2.36 H new ATOM 0 HD13 LEU A 48 57.385 33.618 -53.879 1.00 2.36 H new ATOM 0 HD21 LEU A 48 54.711 34.795 -52.950 1.00 2.47 H new ATOM 0 HD22 LEU A 48 55.975 34.134 -51.885 1.00 2.47 H new ATOM 0 HD23 LEU A 48 55.369 35.787 -51.627 1.00 2.47 H new ATOM 776 N VAL A 49 58.738 37.578 -50.208 1.00 0.54 N ATOM 777 CA VAL A 49 58.615 38.154 -48.840 1.00 0.49 C ATOM 778 C VAL A 49 59.803 39.091 -48.576 1.00 0.42 C ATOM 779 O VAL A 49 60.941 38.767 -48.866 1.00 0.58 O ATOM 780 CB VAL A 49 58.620 36.942 -47.911 1.00 0.65 C ATOM 781 CG1 VAL A 49 60.038 36.382 -47.800 1.00 0.99 C ATOM 782 CG2 VAL A 49 58.107 37.352 -46.527 1.00 1.13 C ATOM 0 H VAL A 49 59.422 36.827 -50.304 1.00 0.54 H new ATOM 0 HA VAL A 49 57.715 38.751 -48.695 1.00 0.49 H new ATOM 0 HB VAL A 49 57.966 36.171 -48.319 1.00 0.65 H new ATOM 0 HG11 VAL A 49 60.037 35.517 -47.136 1.00 0.99 H new ATOM 0 HG12 VAL A 49 60.389 36.081 -48.787 1.00 0.99 H new ATOM 0 HG13 VAL A 49 60.701 37.148 -47.397 1.00 0.99 H new ATOM 0 HG21 VAL A 49 58.111 36.485 -45.866 1.00 1.13 H new ATOM 0 HG22 VAL A 49 58.753 38.127 -46.114 1.00 1.13 H new ATOM 0 HG23 VAL A 49 57.091 37.736 -46.615 1.00 1.13 H new ATOM 792 N LYS A 50 59.549 40.269 -48.068 1.00 0.40 N ATOM 793 CA LYS A 50 60.664 41.236 -47.840 1.00 0.42 C ATOM 794 C LYS A 50 60.557 41.909 -46.466 1.00 0.44 C ATOM 795 O LYS A 50 59.561 42.526 -46.148 1.00 0.55 O ATOM 796 CB LYS A 50 60.465 42.281 -48.942 1.00 0.57 C ATOM 797 CG LYS A 50 61.799 42.592 -49.620 1.00 1.02 C ATOM 798 CD LYS A 50 61.532 43.135 -51.027 1.00 1.41 C ATOM 799 CE LYS A 50 62.843 43.622 -51.651 1.00 1.74 C ATOM 800 NZ LYS A 50 62.907 45.078 -51.336 1.00 2.40 N ATOM 0 H LYS A 50 58.622 40.602 -47.802 1.00 0.40 H new ATOM 0 HA LYS A 50 61.639 40.748 -47.864 1.00 0.42 H new ATOM 0 HB2 LYS A 50 59.751 41.912 -49.679 1.00 0.57 H new ATOM 0 HB3 LYS A 50 60.043 43.192 -48.518 1.00 0.57 H new ATOM 0 HG2 LYS A 50 62.357 43.323 -49.035 1.00 1.02 H new ATOM 0 HG3 LYS A 50 62.412 41.692 -49.674 1.00 1.02 H new ATOM 0 HD2 LYS A 50 61.089 42.357 -51.649 1.00 1.41 H new ATOM 0 HD3 LYS A 50 60.814 43.954 -50.981 1.00 1.41 H new ATOM 0 HE2 LYS A 50 63.699 43.091 -51.235 1.00 1.74 H new ATOM 0 HE3 LYS A 50 62.855 43.451 -52.727 1.00 1.74 H new ATOM 0 HZ1 LYS A 50 63.780 45.481 -51.733 1.00 2.40 H new ATOM 0 HZ2 LYS A 50 62.084 45.559 -51.751 1.00 2.40 H new ATOM 0 HZ3 LYS A 50 62.902 45.211 -50.304 1.00 2.40 H new ATOM 814 N TYR A 51 61.587 41.831 -45.658 1.00 0.44 N ATOM 815 CA TYR A 51 61.522 42.516 -44.332 1.00 0.52 C ATOM 816 C TYR A 51 62.676 43.512 -44.200 1.00 0.45 C ATOM 817 O TYR A 51 63.585 43.535 -45.004 1.00 0.59 O ATOM 818 CB TYR A 51 61.624 41.460 -43.212 1.00 0.73 C ATOM 819 CG TYR A 51 61.736 40.047 -43.738 1.00 0.50 C ATOM 820 CD1 TYR A 51 60.801 39.554 -44.648 1.00 0.69 C ATOM 821 CD2 TYR A 51 62.770 39.220 -43.282 1.00 0.82 C ATOM 822 CE1 TYR A 51 60.900 38.239 -45.111 1.00 0.76 C ATOM 823 CE2 TYR A 51 62.865 37.901 -43.742 1.00 1.19 C ATOM 824 CZ TYR A 51 61.929 37.412 -44.660 1.00 1.05 C ATOM 825 OH TYR A 51 62.019 36.112 -45.116 1.00 1.47 O ATOM 0 H TYR A 51 62.454 41.332 -45.855 1.00 0.44 H new ATOM 0 HA TYR A 51 60.578 43.054 -44.250 1.00 0.52 H new ATOM 0 HB2 TYR A 51 62.492 41.680 -42.591 1.00 0.73 H new ATOM 0 HB3 TYR A 51 60.746 41.534 -42.570 1.00 0.73 H new ATOM 0 HD1 TYR A 51 60.000 40.189 -44.995 1.00 0.69 H new ATOM 0 HD2 TYR A 51 63.494 39.599 -42.576 1.00 0.82 H new ATOM 0 HE1 TYR A 51 60.178 37.862 -45.820 1.00 0.76 H new ATOM 0 HE2 TYR A 51 63.660 37.261 -43.389 1.00 1.19 H new ATOM 0 HH TYR A 51 62.793 35.674 -44.704 1.00 1.47 H new ATOM 835 N VAL A 52 62.640 44.333 -43.185 1.00 0.44 N ATOM 836 CA VAL A 52 63.728 45.339 -42.988 1.00 0.49 C ATOM 837 C VAL A 52 64.416 45.120 -41.637 1.00 0.43 C ATOM 838 O VAL A 52 63.767 44.876 -40.644 1.00 0.56 O ATOM 839 CB VAL A 52 63.007 46.685 -43.006 1.00 0.69 C ATOM 840 CG1 VAL A 52 64.027 47.818 -42.887 1.00 1.02 C ATOM 841 CG2 VAL A 52 62.233 46.829 -44.320 1.00 0.82 C ATOM 0 H VAL A 52 61.902 44.352 -42.481 1.00 0.44 H new ATOM 0 HA VAL A 52 64.504 45.271 -43.751 1.00 0.49 H new ATOM 0 HB VAL A 52 62.314 46.736 -42.166 1.00 0.69 H new ATOM 0 HG11 VAL A 52 63.509 48.777 -42.900 1.00 1.02 H new ATOM 0 HG12 VAL A 52 64.577 47.716 -41.952 1.00 1.02 H new ATOM 0 HG13 VAL A 52 64.723 47.770 -43.724 1.00 1.02 H new ATOM 0 HG21 VAL A 52 61.717 47.789 -44.335 1.00 0.82 H new ATOM 0 HG22 VAL A 52 62.927 46.777 -45.159 1.00 0.82 H new ATOM 0 HG23 VAL A 52 61.503 46.024 -44.402 1.00 0.82 H new ATOM 851 N CYS A 53 65.720 45.199 -41.592 1.00 0.44 N ATOM 852 CA CYS A 53 66.428 44.984 -40.296 1.00 0.47 C ATOM 853 C CYS A 53 67.339 46.172 -39.979 1.00 0.46 C ATOM 854 O CYS A 53 68.227 46.505 -40.739 1.00 0.68 O ATOM 855 CB CYS A 53 67.282 43.720 -40.475 1.00 0.73 C ATOM 856 SG CYS A 53 66.471 42.539 -41.590 1.00 1.39 S ATOM 0 H CYS A 53 66.322 45.402 -42.390 1.00 0.44 H new ATOM 0 HA CYS A 53 65.716 44.881 -39.477 1.00 0.47 H new ATOM 0 HB2 CYS A 53 68.259 43.991 -40.875 1.00 0.73 H new ATOM 0 HB3 CYS A 53 67.453 43.252 -39.506 1.00 0.73 H new ATOM 861 N CYS A 54 67.140 46.798 -38.854 1.00 0.39 N ATOM 862 CA CYS A 54 68.014 47.957 -38.473 1.00 0.51 C ATOM 863 C CYS A 54 68.527 47.752 -37.041 1.00 0.48 C ATOM 864 O CYS A 54 67.806 47.272 -36.205 1.00 0.46 O ATOM 865 CB CYS A 54 67.132 49.214 -38.579 1.00 0.68 C ATOM 866 SG CYS A 54 65.415 48.843 -38.124 1.00 1.08 S ATOM 0 H CYS A 54 66.413 46.563 -38.178 1.00 0.39 H new ATOM 0 HA CYS A 54 68.886 48.052 -39.121 1.00 0.51 H new ATOM 0 HB2 CYS A 54 67.524 49.994 -37.927 1.00 0.68 H new ATOM 0 HB3 CYS A 54 67.167 49.602 -39.597 1.00 0.68 H new ATOM 871 N ASN A 55 69.762 48.108 -36.754 1.00 0.52 N ATOM 872 CA ASN A 55 70.314 47.911 -35.370 1.00 0.55 C ATOM 873 C ASN A 55 70.056 49.143 -34.514 1.00 0.54 C ATOM 874 O ASN A 55 70.962 49.865 -34.153 1.00 0.61 O ATOM 875 CB ASN A 55 71.823 47.730 -35.553 1.00 0.67 C ATOM 876 CG ASN A 55 72.352 46.763 -34.491 1.00 1.48 C ATOM 877 OD1 ASN A 55 72.413 45.571 -34.716 1.00 2.23 O ATOM 878 ND2 ASN A 55 72.736 47.230 -33.333 1.00 2.32 N ATOM 0 H ASN A 55 70.412 48.527 -37.420 1.00 0.52 H new ATOM 0 HA ASN A 55 69.849 47.059 -34.875 1.00 0.55 H new ATOM 0 HB2 ASN A 55 72.036 47.344 -36.550 1.00 0.67 H new ATOM 0 HB3 ASN A 55 72.329 48.692 -35.469 1.00 0.67 H new ATOM 0 HD21 ASN A 55 73.087 46.594 -32.617 1.00 2.32 H new ATOM 0 HD22 ASN A 55 72.685 48.231 -33.144 1.00 2.32 H new ATOM 885 N THR A 56 68.829 49.392 -34.192 1.00 0.49 N ATOM 886 CA THR A 56 68.517 50.589 -33.353 1.00 0.50 C ATOM 887 C THR A 56 67.275 50.346 -32.495 1.00 0.48 C ATOM 888 O THR A 56 66.534 49.407 -32.706 1.00 0.57 O ATOM 889 CB THR A 56 68.290 51.766 -34.326 1.00 0.54 C ATOM 890 OG1 THR A 56 67.090 52.440 -33.981 1.00 1.15 O ATOM 891 CG2 THR A 56 68.196 51.274 -35.775 1.00 1.16 C ATOM 0 H THR A 56 68.025 48.828 -34.467 1.00 0.49 H new ATOM 0 HA THR A 56 69.335 50.804 -32.666 1.00 0.50 H new ATOM 0 HB THR A 56 69.139 52.445 -34.246 1.00 0.54 H new ATOM 0 HG1 THR A 56 66.946 53.188 -34.597 1.00 1.15 H new ATOM 0 HG21 THR A 56 68.036 52.124 -36.438 1.00 1.16 H new ATOM 0 HG22 THR A 56 69.123 50.769 -36.049 1.00 1.16 H new ATOM 0 HG23 THR A 56 67.362 50.578 -35.870 1.00 1.16 H new ATOM 899 N ASP A 57 67.031 51.203 -31.541 1.00 0.58 N ATOM 900 CA ASP A 57 65.824 51.044 -30.684 1.00 0.60 C ATOM 901 C ASP A 57 64.612 51.652 -31.392 1.00 0.59 C ATOM 902 O ASP A 57 64.639 52.795 -31.800 1.00 0.72 O ATOM 903 CB ASP A 57 66.140 51.826 -29.405 1.00 0.71 C ATOM 904 CG ASP A 57 64.942 51.758 -28.458 1.00 0.95 C ATOM 905 OD1 ASP A 57 64.476 50.662 -28.201 1.00 1.47 O ATOM 906 OD2 ASP A 57 64.511 52.806 -28.003 1.00 1.70 O ATOM 0 H ASP A 57 67.617 52.008 -31.319 1.00 0.58 H new ATOM 0 HA ASP A 57 65.593 50.000 -30.474 1.00 0.60 H new ATOM 0 HB2 ASP A 57 67.024 51.411 -28.921 1.00 0.71 H new ATOM 0 HB3 ASP A 57 66.367 52.864 -29.647 1.00 0.71 H new ATOM 911 N ARG A 58 63.555 50.901 -31.549 1.00 0.56 N ATOM 912 CA ARG A 58 62.349 51.451 -32.236 1.00 0.61 C ATOM 913 C ARG A 58 62.689 51.861 -33.677 1.00 0.60 C ATOM 914 O ARG A 58 62.346 52.943 -34.111 1.00 0.87 O ATOM 915 CB ARG A 58 61.963 52.681 -31.410 1.00 0.73 C ATOM 916 CG ARG A 58 60.630 53.232 -31.904 1.00 0.93 C ATOM 917 CD ARG A 58 59.682 53.409 -30.719 1.00 1.16 C ATOM 918 NE ARG A 58 58.640 54.361 -31.197 1.00 1.10 N ATOM 919 CZ ARG A 58 58.618 55.586 -30.746 1.00 1.34 C ATOM 920 NH1 ARG A 58 58.133 55.836 -29.559 1.00 1.52 N ATOM 921 NH2 ARG A 58 59.080 56.564 -31.482 1.00 1.91 N ATOM 0 H ARG A 58 63.474 49.935 -31.233 1.00 0.56 H new ATOM 0 HA ARG A 58 61.542 50.722 -32.300 1.00 0.61 H new ATOM 0 HB2 ARG A 58 61.889 52.415 -30.356 1.00 0.73 H new ATOM 0 HB3 ARG A 58 62.737 53.444 -31.493 1.00 0.73 H new ATOM 0 HG2 ARG A 58 60.783 54.187 -32.407 1.00 0.93 H new ATOM 0 HG3 ARG A 58 60.192 52.553 -32.636 1.00 0.93 H new ATOM 0 HD2 ARG A 58 59.241 52.458 -30.421 1.00 1.16 H new ATOM 0 HD3 ARG A 58 60.207 53.803 -29.849 1.00 1.16 H new ATOM 0 HE ARG A 58 57.944 54.055 -31.877 1.00 1.10 H new ATOM 0 HH11 ARG A 58 57.772 55.074 -28.985 1.00 1.52 H new ATOM 0 HH12 ARG A 58 58.116 56.793 -29.206 1.00 1.52 H new ATOM 0 HH21 ARG A 58 59.458 56.370 -32.409 1.00 1.91 H new ATOM 0 HH22 ARG A 58 59.062 57.521 -31.129 1.00 1.91 H new ATOM 935 N CYS A 59 63.362 51.022 -34.424 1.00 0.44 N ATOM 936 CA CYS A 59 63.709 51.416 -35.824 1.00 0.47 C ATOM 937 C CYS A 59 62.787 50.728 -36.846 1.00 0.60 C ATOM 938 O CYS A 59 62.771 51.092 -38.005 1.00 1.14 O ATOM 939 CB CYS A 59 65.177 51.017 -36.022 1.00 0.42 C ATOM 940 SG CYS A 59 65.332 49.219 -36.143 1.00 0.84 S ATOM 0 H CYS A 59 63.681 50.098 -34.133 1.00 0.44 H new ATOM 0 HA CYS A 59 63.571 52.486 -35.982 1.00 0.47 H new ATOM 0 HB2 CYS A 59 65.568 51.484 -36.926 1.00 0.42 H new ATOM 0 HB3 CYS A 59 65.776 51.385 -35.189 1.00 0.42 H new ATOM 945 N ASN A 60 61.997 49.763 -36.437 1.00 0.52 N ATOM 946 CA ASN A 60 61.069 49.115 -37.420 1.00 0.55 C ATOM 947 C ASN A 60 59.655 49.677 -37.253 1.00 0.71 C ATOM 948 O ASN A 60 58.734 48.887 -37.132 1.00 1.39 O ATOM 949 CB ASN A 60 61.082 47.609 -37.122 1.00 0.41 C ATOM 950 CG ASN A 60 60.299 47.304 -35.837 1.00 0.36 C ATOM 951 OD1 ASN A 60 60.192 48.141 -34.957 1.00 0.43 O ATOM 952 ND2 ASN A 60 59.750 46.118 -35.688 1.00 0.40 N ATOM 953 OXT ASN A 60 59.520 50.890 -37.248 1.00 1.25 O ATOM 0 H ASN A 60 61.953 49.401 -35.484 1.00 0.52 H new ATOM 0 HA ASN A 60 61.386 49.309 -38.445 1.00 0.55 H new ATOM 0 HB2 ASN A 60 60.645 47.064 -37.958 1.00 0.41 H new ATOM 0 HB3 ASN A 60 62.110 47.262 -37.018 1.00 0.41 H new ATOM 0 HD21 ASN A 60 59.234 45.898 -34.836 1.00 0.40 H new ATOM 0 HD22 ASN A 60 59.840 45.418 -36.425 1.00 0.40 H new