USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=15 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 4 ASN : amide:sc= -15.2! C(o=-26!,f=-47!) USER MOD Set 1.2: A 60 ASN : amide:sc= -10.6! C(o=-26!,f=-36!) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 158:sc= -1.91! (180deg=-3.23!) USER MOD Single : A 19 ASN :FLIP amide:sc= -2.47! C(o=-4!,f=-2.5!) USER MOD Single : A 22 TYR OH : rot 15:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -146:sc= -1.19 (180deg=-1.77) USER MOD Single : A 24 MET CE :methyl -148:sc= -0.364 (180deg=-2.58) USER MOD Single : A 26 MET CE :methyl 145:sc=-0.00597 (180deg=-0.925) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 158:sc= -0.146 (180deg=-1.25!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -97:sc= 0.136 USER MOD Single : A 46 SER OG : rot 180:sc= 0.284 USER MOD Single : A 50 LYS NZ :NH3+ 151:sc= -0.0947 (180deg=-0.846) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -7.11! C(o=-7.1!,f=-13!) USER MOD Single : A 56 THR OG1 : rot -177:sc= -3! USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 66.601 46.872 -24.296 1.00 1.26 N ATOM 2 CA LEU A 1 66.321 46.652 -25.744 1.00 0.65 C ATOM 3 C LEU A 1 64.813 46.534 -25.982 1.00 0.58 C ATOM 4 O LEU A 1 64.164 45.636 -25.482 1.00 0.77 O ATOM 5 CB LEU A 1 67.024 45.339 -26.088 1.00 1.19 C ATOM 6 CG LEU A 1 67.661 45.451 -27.473 1.00 1.07 C ATOM 7 CD1 LEU A 1 66.582 45.789 -28.504 1.00 1.38 C ATOM 8 CD2 LEU A 1 68.718 46.558 -27.459 1.00 1.53 C ATOM 0 H1 LEU A 1 67.628 46.950 -24.149 1.00 1.26 H new ATOM 0 H2 LEU A 1 66.138 47.749 -23.982 1.00 1.26 H new ATOM 0 H3 LEU A 1 66.233 46.070 -23.745 1.00 1.26 H new ATOM 0 HA LEU A 1 66.674 47.477 -26.362 1.00 0.65 H new ATOM 0 HB2 LEU A 1 67.787 45.116 -25.342 1.00 1.19 H new ATOM 0 HB3 LEU A 1 66.310 44.516 -26.070 1.00 1.19 H new ATOM 0 HG LEU A 1 68.131 44.503 -27.736 1.00 1.07 H new ATOM 0 HD11 LEU A 1 67.035 45.869 -29.492 1.00 1.38 H new ATOM 0 HD12 LEU A 1 65.828 45.002 -28.513 1.00 1.38 H new ATOM 0 HD13 LEU A 1 66.113 46.737 -28.242 1.00 1.38 H new ATOM 0 HD21 LEU A 1 69.173 46.639 -28.446 1.00 1.53 H new ATOM 0 HD22 LEU A 1 68.248 47.506 -27.197 1.00 1.53 H new ATOM 0 HD23 LEU A 1 69.486 46.318 -26.724 1.00 1.53 H new ATOM 22 N LYS A 2 64.249 47.436 -26.740 1.00 0.45 N ATOM 23 CA LYS A 2 62.784 47.378 -27.005 1.00 0.53 C ATOM 24 C LYS A 2 62.496 47.751 -28.468 1.00 0.43 C ATOM 25 O LYS A 2 62.891 48.797 -28.944 1.00 0.59 O ATOM 26 CB LYS A 2 62.165 48.389 -26.027 1.00 0.71 C ATOM 27 CG LYS A 2 62.830 49.765 -26.181 1.00 1.14 C ATOM 28 CD LYS A 2 64.049 49.874 -25.252 1.00 1.23 C ATOM 29 CE LYS A 2 63.588 50.068 -23.805 1.00 1.98 C ATOM 30 NZ LYS A 2 64.363 51.241 -23.312 1.00 2.63 N ATOM 0 H LYS A 2 64.740 48.210 -27.187 1.00 0.45 H new ATOM 0 HA LYS A 2 62.367 46.382 -26.859 1.00 0.53 H new ATOM 0 HB2 LYS A 2 61.094 48.474 -26.212 1.00 0.71 H new ATOM 0 HB3 LYS A 2 62.285 48.034 -25.004 1.00 0.71 H new ATOM 0 HG2 LYS A 2 63.138 49.914 -27.216 1.00 1.14 H new ATOM 0 HG3 LYS A 2 62.113 50.552 -25.946 1.00 1.14 H new ATOM 0 HD2 LYS A 2 64.658 48.974 -25.331 1.00 1.23 H new ATOM 0 HD3 LYS A 2 64.676 50.711 -25.558 1.00 1.23 H new ATOM 0 HE2 LYS A 2 62.515 50.253 -23.753 1.00 1.98 H new ATOM 0 HE3 LYS A 2 63.788 49.181 -23.204 1.00 1.98 H new ATOM 0 HZ1 LYS A 2 64.103 51.439 -22.325 1.00 2.63 H new ATOM 0 HZ2 LYS A 2 65.380 51.033 -23.367 1.00 2.63 H new ATOM 0 HZ3 LYS A 2 64.147 52.072 -23.900 1.00 2.63 H new ATOM 44 N CYS A 3 61.822 46.892 -29.193 1.00 0.40 N ATOM 45 CA CYS A 3 61.525 47.190 -30.628 1.00 0.40 C ATOM 46 C CYS A 3 60.038 47.487 -30.831 1.00 0.40 C ATOM 47 O CYS A 3 59.184 46.906 -30.193 1.00 0.44 O ATOM 48 CB CYS A 3 61.899 45.919 -31.390 1.00 0.54 C ATOM 49 SG CYS A 3 63.690 45.855 -31.651 1.00 0.68 S ATOM 0 H CYS A 3 61.465 45.999 -28.853 1.00 0.40 H new ATOM 0 HA CYS A 3 62.078 48.065 -30.971 1.00 0.40 H new ATOM 0 HB2 CYS A 3 61.573 45.042 -30.831 1.00 0.54 H new ATOM 0 HB3 CYS A 3 61.383 45.896 -32.350 1.00 0.54 H new ATOM 54 N ASN A 4 59.727 48.374 -31.732 1.00 0.43 N ATOM 55 CA ASN A 4 58.294 48.702 -31.995 1.00 0.49 C ATOM 56 C ASN A 4 57.494 47.416 -32.142 1.00 0.49 C ATOM 57 O ASN A 4 58.004 46.408 -32.589 1.00 0.55 O ATOM 58 CB ASN A 4 58.241 49.450 -33.341 1.00 0.60 C ATOM 59 CG ASN A 4 59.444 50.375 -33.520 1.00 0.99 C ATOM 60 OD1 ASN A 4 60.555 50.008 -33.212 1.00 1.93 O ATOM 61 ND2 ASN A 4 59.270 51.562 -34.033 1.00 1.09 N ATOM 0 H ASN A 4 60.401 48.888 -32.299 1.00 0.43 H new ATOM 0 HA ASN A 4 57.884 49.297 -31.179 1.00 0.49 H new ATOM 0 HB2 ASN A 4 58.212 48.729 -34.158 1.00 0.60 H new ATOM 0 HB3 ASN A 4 57.322 50.033 -33.398 1.00 0.60 H new ATOM 0 HD21 ASN A 4 60.070 52.179 -34.174 1.00 1.09 H new ATOM 0 HD22 ASN A 4 58.334 51.873 -34.293 1.00 1.09 H new ATOM 68 N LYS A 5 56.235 47.444 -31.820 1.00 0.52 N ATOM 69 CA LYS A 5 55.425 46.220 -32.010 1.00 0.60 C ATOM 70 C LYS A 5 54.519 46.432 -33.231 1.00 0.71 C ATOM 71 O LYS A 5 54.462 47.514 -33.783 1.00 1.48 O ATOM 72 CB LYS A 5 54.636 46.005 -30.703 1.00 0.68 C ATOM 73 CG LYS A 5 53.205 46.544 -30.810 1.00 1.03 C ATOM 74 CD LYS A 5 52.229 45.384 -31.053 1.00 1.48 C ATOM 75 CE LYS A 5 52.456 44.271 -30.025 1.00 1.84 C ATOM 76 NZ LYS A 5 51.147 43.564 -29.927 1.00 2.49 N ATOM 0 H LYS A 5 55.739 48.250 -31.439 1.00 0.52 H new ATOM 0 HA LYS A 5 56.023 45.330 -32.205 1.00 0.60 H new ATOM 0 HB2 LYS A 5 54.608 44.942 -30.466 1.00 0.68 H new ATOM 0 HB3 LYS A 5 55.151 46.501 -29.881 1.00 0.68 H new ATOM 0 HG2 LYS A 5 52.936 47.072 -29.895 1.00 1.03 H new ATOM 0 HG3 LYS A 5 53.138 47.265 -31.625 1.00 1.03 H new ATOM 0 HD2 LYS A 5 51.202 45.744 -30.988 1.00 1.48 H new ATOM 0 HD3 LYS A 5 52.365 44.991 -32.060 1.00 1.48 H new ATOM 0 HE2 LYS A 5 53.248 43.593 -30.345 1.00 1.84 H new ATOM 0 HE3 LYS A 5 52.757 44.680 -29.060 1.00 1.84 H new ATOM 0 HZ1 LYS A 5 51.223 42.787 -29.240 1.00 2.49 H new ATOM 0 HZ2 LYS A 5 50.414 44.232 -29.614 1.00 2.49 H new ATOM 0 HZ3 LYS A 5 50.890 43.179 -30.858 1.00 2.49 H new ATOM 90 N LEU A 6 53.833 45.426 -33.669 1.00 0.53 N ATOM 91 CA LEU A 6 52.960 45.590 -34.867 1.00 0.57 C ATOM 92 C LEU A 6 52.108 46.868 -34.790 1.00 0.62 C ATOM 93 O LEU A 6 51.871 47.520 -35.787 1.00 0.72 O ATOM 94 CB LEU A 6 52.057 44.363 -34.863 1.00 0.59 C ATOM 95 CG LEU A 6 51.884 43.837 -36.288 1.00 0.70 C ATOM 96 CD1 LEU A 6 50.656 42.927 -36.344 1.00 1.22 C ATOM 97 CD2 LEU A 6 51.693 45.000 -37.268 1.00 0.78 C ATOM 0 H LEU A 6 53.834 44.494 -33.255 1.00 0.53 H new ATOM 0 HA LEU A 6 53.556 45.680 -35.775 1.00 0.57 H new ATOM 0 HB2 LEU A 6 52.487 43.587 -34.230 1.00 0.59 H new ATOM 0 HB3 LEU A 6 51.085 44.618 -34.440 1.00 0.59 H new ATOM 0 HG LEU A 6 52.778 43.280 -36.569 1.00 0.70 H new ATOM 0 HD11 LEU A 6 50.529 42.550 -37.359 1.00 1.22 H new ATOM 0 HD12 LEU A 6 50.792 42.090 -35.660 1.00 1.22 H new ATOM 0 HD13 LEU A 6 49.771 43.492 -36.054 1.00 1.22 H new ATOM 0 HD21 LEU A 6 51.571 44.609 -38.278 1.00 0.78 H new ATOM 0 HD22 LEU A 6 50.805 45.568 -36.990 1.00 0.78 H new ATOM 0 HD23 LEU A 6 52.566 45.651 -37.234 1.00 0.78 H new ATOM 109 N VAL A 7 51.624 47.219 -33.628 1.00 0.61 N ATOM 110 CA VAL A 7 50.767 48.437 -33.517 1.00 0.71 C ATOM 111 C VAL A 7 51.608 49.682 -33.191 1.00 0.70 C ATOM 112 O VAL A 7 52.514 49.614 -32.385 1.00 0.62 O ATOM 113 CB VAL A 7 49.809 48.141 -32.363 1.00 0.73 C ATOM 114 CG1 VAL A 7 48.733 49.226 -32.311 1.00 0.93 C ATOM 115 CG2 VAL A 7 49.148 46.777 -32.577 1.00 0.79 C ATOM 0 H VAL A 7 51.784 46.718 -32.754 1.00 0.61 H new ATOM 0 HA VAL A 7 50.249 48.646 -34.453 1.00 0.71 H new ATOM 0 HB VAL A 7 50.364 48.128 -31.425 1.00 0.73 H new ATOM 0 HG11 VAL A 7 48.047 49.019 -31.489 1.00 0.93 H new ATOM 0 HG12 VAL A 7 49.203 50.197 -32.156 1.00 0.93 H new ATOM 0 HG13 VAL A 7 48.181 49.236 -33.251 1.00 0.93 H new ATOM 0 HG21 VAL A 7 48.466 46.570 -31.752 1.00 0.79 H new ATOM 0 HG22 VAL A 7 48.592 46.785 -33.514 1.00 0.79 H new ATOM 0 HG23 VAL A 7 49.915 46.003 -32.617 1.00 0.79 H new ATOM 125 N PRO A 8 51.274 50.786 -33.822 1.00 0.84 N ATOM 126 CA PRO A 8 52.001 52.058 -33.580 1.00 0.91 C ATOM 127 C PRO A 8 51.683 52.609 -32.185 1.00 0.92 C ATOM 128 O PRO A 8 51.297 53.752 -32.040 1.00 1.21 O ATOM 129 CB PRO A 8 51.423 52.984 -34.654 1.00 1.09 C ATOM 130 CG PRO A 8 50.367 52.204 -35.463 1.00 1.12 C ATOM 131 CD PRO A 8 50.173 50.828 -34.814 1.00 0.97 C ATOM 0 HA PRO A 8 53.085 51.950 -33.626 1.00 0.91 H new ATOM 0 HB2 PRO A 8 50.972 53.863 -34.193 1.00 1.09 H new ATOM 0 HB3 PRO A 8 52.216 53.341 -35.312 1.00 1.09 H new ATOM 0 HG2 PRO A 8 49.424 52.751 -35.481 1.00 1.12 H new ATOM 0 HG3 PRO A 8 50.690 52.092 -36.498 1.00 1.12 H new ATOM 0 HD2 PRO A 8 49.196 50.736 -34.340 1.00 0.97 H new ATOM 0 HD3 PRO A 8 50.251 50.021 -35.542 1.00 0.97 H new ATOM 139 N LEU A 9 51.839 51.821 -31.160 1.00 0.78 N ATOM 140 CA LEU A 9 51.541 52.324 -29.795 1.00 0.82 C ATOM 141 C LEU A 9 52.449 51.640 -28.767 1.00 0.72 C ATOM 142 O LEU A 9 52.951 52.270 -27.857 1.00 0.84 O ATOM 143 CB LEU A 9 50.072 51.979 -29.545 1.00 0.87 C ATOM 144 CG LEU A 9 49.227 53.253 -29.584 1.00 1.12 C ATOM 145 CD1 LEU A 9 48.085 53.082 -30.589 1.00 1.82 C ATOM 146 CD2 LEU A 9 48.641 53.513 -28.193 1.00 1.60 C ATOM 0 H LEU A 9 52.159 50.854 -31.209 1.00 0.78 H new ATOM 0 HA LEU A 9 51.718 53.396 -29.705 1.00 0.82 H new ATOM 0 HB2 LEU A 9 49.721 51.275 -30.300 1.00 0.87 H new ATOM 0 HB3 LEU A 9 49.964 51.489 -28.577 1.00 0.87 H new ATOM 0 HG LEU A 9 49.852 54.094 -29.885 1.00 1.12 H new ATOM 0 HD11 LEU A 9 47.484 53.991 -30.615 1.00 1.82 H new ATOM 0 HD12 LEU A 9 48.498 52.891 -31.580 1.00 1.82 H new ATOM 0 HD13 LEU A 9 47.459 52.242 -30.289 1.00 1.82 H new ATOM 0 HD21 LEU A 9 48.038 54.421 -28.216 1.00 1.60 H new ATOM 0 HD22 LEU A 9 48.017 52.670 -27.898 1.00 1.60 H new ATOM 0 HD23 LEU A 9 49.451 53.634 -27.474 1.00 1.60 H new ATOM 158 N PHE A 10 52.669 50.358 -28.902 1.00 0.57 N ATOM 159 CA PHE A 10 53.554 49.650 -27.923 1.00 0.55 C ATOM 160 C PHE A 10 54.726 48.977 -28.645 1.00 0.49 C ATOM 161 O PHE A 10 54.838 49.021 -29.854 1.00 0.52 O ATOM 162 CB PHE A 10 52.694 48.579 -27.217 1.00 0.62 C ATOM 163 CG PHE A 10 51.355 48.389 -27.905 1.00 0.64 C ATOM 164 CD1 PHE A 10 50.400 49.405 -27.854 1.00 0.77 C ATOM 165 CD2 PHE A 10 51.065 47.193 -28.578 1.00 0.75 C ATOM 166 CE1 PHE A 10 49.157 49.237 -28.475 1.00 0.92 C ATOM 167 CE2 PHE A 10 49.820 47.022 -29.197 1.00 0.89 C ATOM 168 CZ PHE A 10 48.866 48.045 -29.144 1.00 0.94 C ATOM 0 H PHE A 10 52.279 49.773 -29.641 1.00 0.57 H new ATOM 0 HA PHE A 10 53.966 50.359 -27.205 1.00 0.55 H new ATOM 0 HB2 PHE A 10 53.233 47.632 -27.202 1.00 0.62 H new ATOM 0 HB3 PHE A 10 52.532 48.869 -26.179 1.00 0.62 H new ATOM 0 HD1 PHE A 10 50.621 50.325 -27.333 1.00 0.77 H new ATOM 0 HD2 PHE A 10 51.801 46.404 -28.619 1.00 0.75 H new ATOM 0 HE1 PHE A 10 48.423 50.028 -28.437 1.00 0.92 H new ATOM 0 HE2 PHE A 10 49.596 46.101 -29.715 1.00 0.89 H new ATOM 0 HZ PHE A 10 47.906 47.913 -29.620 1.00 0.94 H new ATOM 178 N TYR A 11 55.593 48.341 -27.900 1.00 0.47 N ATOM 179 CA TYR A 11 56.758 47.643 -28.521 1.00 0.44 C ATOM 180 C TYR A 11 57.089 46.383 -27.718 1.00 0.49 C ATOM 181 O TYR A 11 56.768 46.279 -26.551 1.00 0.62 O ATOM 182 CB TYR A 11 57.920 48.635 -28.483 1.00 0.42 C ATOM 183 CG TYR A 11 57.894 49.439 -27.205 1.00 0.44 C ATOM 184 CD1 TYR A 11 57.175 50.637 -27.147 1.00 0.70 C ATOM 185 CD2 TYR A 11 58.604 48.993 -26.084 1.00 0.69 C ATOM 186 CE1 TYR A 11 57.162 51.389 -25.967 1.00 0.76 C ATOM 187 CE2 TYR A 11 58.590 49.744 -24.903 1.00 0.80 C ATOM 188 CZ TYR A 11 57.869 50.942 -24.844 1.00 0.67 C ATOM 189 OH TYR A 11 57.858 51.686 -23.682 1.00 0.83 O ATOM 0 H TYR A 11 55.544 48.275 -26.883 1.00 0.47 H new ATOM 0 HA TYR A 11 56.550 47.332 -29.545 1.00 0.44 H new ATOM 0 HB2 TYR A 11 58.865 48.098 -28.562 1.00 0.42 H new ATOM 0 HB3 TYR A 11 57.861 49.305 -29.341 1.00 0.42 H new ATOM 0 HD1 TYR A 11 56.630 50.982 -28.013 1.00 0.70 H new ATOM 0 HD2 TYR A 11 59.162 48.070 -26.130 1.00 0.69 H new ATOM 0 HE1 TYR A 11 56.607 52.314 -25.922 1.00 0.76 H new ATOM 0 HE2 TYR A 11 59.136 49.399 -24.037 1.00 0.80 H new ATOM 0 HH TYR A 11 58.397 51.235 -22.999 1.00 0.83 H new ATOM 199 N LYS A 12 57.718 45.420 -28.333 1.00 0.50 N ATOM 200 CA LYS A 12 58.054 44.167 -27.599 1.00 0.59 C ATOM 201 C LYS A 12 59.487 44.222 -27.072 1.00 0.49 C ATOM 202 O LYS A 12 60.251 45.105 -27.408 1.00 0.49 O ATOM 203 CB LYS A 12 57.903 43.051 -28.633 1.00 0.74 C ATOM 204 CG LYS A 12 56.514 42.430 -28.508 1.00 1.20 C ATOM 205 CD LYS A 12 56.643 40.922 -28.288 1.00 1.50 C ATOM 206 CE LYS A 12 55.671 40.190 -29.213 1.00 1.68 C ATOM 207 NZ LYS A 12 56.528 39.605 -30.282 1.00 2.19 N ATOM 0 H LYS A 12 58.013 45.446 -29.309 1.00 0.50 H new ATOM 0 HA LYS A 12 57.409 44.013 -26.734 1.00 0.59 H new ATOM 0 HB2 LYS A 12 58.047 43.449 -29.638 1.00 0.74 H new ATOM 0 HB3 LYS A 12 58.669 42.291 -28.479 1.00 0.74 H new ATOM 0 HG2 LYS A 12 55.975 42.884 -27.676 1.00 1.20 H new ATOM 0 HG3 LYS A 12 55.934 42.628 -29.409 1.00 1.20 H new ATOM 0 HD2 LYS A 12 57.665 40.600 -28.488 1.00 1.50 H new ATOM 0 HD3 LYS A 12 56.429 40.675 -27.248 1.00 1.50 H new ATOM 0 HE2 LYS A 12 55.123 39.415 -28.677 1.00 1.68 H new ATOM 0 HE3 LYS A 12 54.931 40.873 -29.629 1.00 1.68 H new ATOM 0 HZ1 LYS A 12 55.933 39.085 -30.958 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 57.032 40.367 -30.779 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 57.218 38.954 -29.856 1.00 2.19 H new ATOM 221 N THR A 13 59.856 43.284 -26.244 1.00 0.64 N ATOM 222 CA THR A 13 61.237 43.275 -25.690 1.00 0.62 C ATOM 223 C THR A 13 62.123 42.330 -26.515 1.00 0.66 C ATOM 224 O THR A 13 61.691 41.282 -26.952 1.00 0.75 O ATOM 225 CB THR A 13 61.066 42.782 -24.241 1.00 0.70 C ATOM 226 OG1 THR A 13 61.129 43.895 -23.361 1.00 1.06 O ATOM 227 CG2 THR A 13 62.167 41.780 -23.867 1.00 1.08 C ATOM 0 H THR A 13 59.258 42.521 -25.927 1.00 0.64 H new ATOM 0 HA THR A 13 61.722 44.251 -25.723 1.00 0.62 H new ATOM 0 HB THR A 13 60.101 42.283 -24.155 1.00 0.70 H new ATOM 0 HG1 THR A 13 61.019 43.588 -22.437 1.00 1.06 H new ATOM 0 HG21 THR A 13 62.023 41.448 -22.839 1.00 1.08 H new ATOM 0 HG22 THR A 13 62.120 40.921 -24.536 1.00 1.08 H new ATOM 0 HG23 THR A 13 63.142 42.259 -23.960 1.00 1.08 H new ATOM 235 N CYS A 14 63.362 42.687 -26.717 1.00 0.65 N ATOM 236 CA CYS A 14 64.273 41.796 -27.498 1.00 0.76 C ATOM 237 C CYS A 14 65.461 41.399 -26.620 1.00 0.87 C ATOM 238 O CYS A 14 65.983 42.216 -25.886 1.00 0.99 O ATOM 239 CB CYS A 14 64.751 42.603 -28.721 1.00 0.75 C ATOM 240 SG CYS A 14 63.460 43.755 -29.273 1.00 1.34 S ATOM 0 H CYS A 14 63.783 43.552 -26.378 1.00 0.65 H new ATOM 0 HA CYS A 14 63.768 40.885 -27.819 1.00 0.76 H new ATOM 0 HB2 CYS A 14 65.655 43.156 -28.467 1.00 0.75 H new ATOM 0 HB3 CYS A 14 65.011 41.923 -29.533 1.00 0.75 H new ATOM 245 N PRO A 15 65.848 40.154 -26.711 1.00 1.06 N ATOM 246 CA PRO A 15 66.978 39.653 -25.904 1.00 1.31 C ATOM 247 C PRO A 15 68.217 40.519 -26.130 1.00 1.16 C ATOM 248 O PRO A 15 68.248 41.355 -27.011 1.00 1.40 O ATOM 249 CB PRO A 15 67.171 38.236 -26.447 1.00 1.54 C ATOM 250 CG PRO A 15 66.140 37.987 -27.563 1.00 1.54 C ATOM 251 CD PRO A 15 65.193 39.188 -27.623 1.00 1.24 C ATOM 0 HA PRO A 15 66.802 39.674 -24.828 1.00 1.31 H new ATOM 0 HB2 PRO A 15 68.183 38.115 -26.834 1.00 1.54 H new ATOM 0 HB3 PRO A 15 67.046 37.505 -25.648 1.00 1.54 H new ATOM 0 HG2 PRO A 15 66.643 37.852 -28.521 1.00 1.54 H new ATOM 0 HG3 PRO A 15 65.581 37.073 -27.365 1.00 1.54 H new ATOM 0 HD2 PRO A 15 65.101 39.583 -28.635 1.00 1.24 H new ATOM 0 HD3 PRO A 15 64.188 38.930 -27.288 1.00 1.24 H new ATOM 259 N ALA A 16 69.236 40.334 -25.340 1.00 1.32 N ATOM 260 CA ALA A 16 70.466 41.156 -25.513 1.00 1.21 C ATOM 261 C ALA A 16 71.215 40.735 -26.780 1.00 0.92 C ATOM 262 O ALA A 16 71.538 39.579 -26.967 1.00 1.02 O ATOM 263 CB ALA A 16 71.309 40.873 -24.271 1.00 1.58 C ATOM 0 H ALA A 16 69.271 39.651 -24.583 1.00 1.32 H new ATOM 0 HA ALA A 16 70.240 42.217 -25.620 1.00 1.21 H new ATOM 0 HB1 ALA A 16 72.236 41.444 -24.323 1.00 1.58 H new ATOM 0 HB2 ALA A 16 70.753 41.164 -23.380 1.00 1.58 H new ATOM 0 HB3 ALA A 16 71.540 39.809 -24.223 1.00 1.58 H new ATOM 269 N GLY A 17 71.501 41.668 -27.646 1.00 0.84 N ATOM 270 CA GLY A 17 72.238 41.321 -28.894 1.00 0.75 C ATOM 271 C GLY A 17 71.398 41.674 -30.126 1.00 0.63 C ATOM 272 O GLY A 17 71.906 42.197 -31.099 1.00 0.83 O ATOM 0 H GLY A 17 71.257 42.653 -27.544 1.00 0.84 H new ATOM 0 HA2 GLY A 17 73.186 41.859 -28.926 1.00 0.75 H new ATOM 0 HA3 GLY A 17 72.475 40.257 -28.900 1.00 0.75 H new ATOM 276 N LYS A 18 70.124 41.388 -30.107 1.00 0.60 N ATOM 277 CA LYS A 18 69.281 41.708 -31.297 1.00 0.58 C ATOM 278 C LYS A 18 68.692 43.116 -31.183 1.00 0.59 C ATOM 279 O LYS A 18 67.635 43.315 -30.619 1.00 0.88 O ATOM 280 CB LYS A 18 68.163 40.657 -31.314 1.00 0.71 C ATOM 281 CG LYS A 18 68.745 39.283 -30.973 1.00 1.60 C ATOM 282 CD LYS A 18 67.652 38.218 -31.077 1.00 2.39 C ATOM 283 CE LYS A 18 68.281 36.829 -30.921 1.00 2.98 C ATOM 284 NZ LYS A 18 67.549 36.202 -29.785 1.00 3.59 N ATOM 0 H LYS A 18 69.633 40.951 -29.327 1.00 0.60 H new ATOM 0 HA LYS A 18 69.867 41.686 -32.216 1.00 0.58 H new ATOM 0 HB2 LYS A 18 67.388 40.924 -30.595 1.00 0.71 H new ATOM 0 HB3 LYS A 18 67.691 40.630 -32.296 1.00 0.71 H new ATOM 0 HG2 LYS A 18 69.563 39.045 -31.653 1.00 1.60 H new ATOM 0 HG3 LYS A 18 69.161 39.294 -29.965 1.00 1.60 H new ATOM 0 HD2 LYS A 18 66.899 38.377 -30.306 1.00 2.39 H new ATOM 0 HD3 LYS A 18 67.145 38.294 -32.039 1.00 2.39 H new ATOM 0 HE2 LYS A 18 68.173 36.242 -31.833 1.00 2.98 H new ATOM 0 HE3 LYS A 18 69.348 36.900 -30.712 1.00 2.98 H new ATOM 0 HZ1 LYS A 18 67.637 35.167 -29.844 1.00 3.59 H new ATOM 0 HZ2 LYS A 18 67.954 36.533 -28.886 1.00 3.59 H new ATOM 0 HZ3 LYS A 18 66.544 36.467 -29.831 1.00 3.59 H new ATOM 298 N ASN A 19 69.351 44.087 -31.753 1.00 0.40 N ATOM 299 CA ASN A 19 68.814 45.476 -31.718 1.00 0.50 C ATOM 300 C ASN A 19 68.155 45.755 -33.066 1.00 0.47 C ATOM 301 O ASN A 19 67.818 46.872 -33.404 1.00 0.60 O ATOM 302 CB ASN A 19 70.029 46.381 -31.503 1.00 0.65 C ATOM 303 CG ASN A 19 69.573 47.820 -31.265 1.00 1.16 C ATOM 304 OD1 ASN A 19 68.441 48.043 -30.664 1.00 1.93 O flip ATOM 305 ND2 ASN A 19 70.259 48.754 -31.629 1.00 1.75 N flip ATOM 0 H ASN A 19 70.239 43.978 -32.242 1.00 0.40 H new ATOM 0 HA ASN A 19 68.074 45.638 -30.934 1.00 0.50 H new ATOM 0 HB2 ASN A 19 70.609 46.029 -30.650 1.00 0.65 H new ATOM 0 HB3 ASN A 19 70.684 46.337 -32.373 1.00 0.65 H new ATOM 0 HD21 ASN A 19 71.147 48.581 -32.100 1.00 1.75 H new ATOM 0 HD22 ASN A 19 69.947 49.711 -31.463 1.00 1.75 H new ATOM 312 N LEU A 20 67.983 44.715 -33.831 1.00 0.40 N ATOM 313 CA LEU A 20 67.365 44.823 -35.166 1.00 0.48 C ATOM 314 C LEU A 20 65.854 44.638 -35.053 1.00 0.38 C ATOM 315 O LEU A 20 65.378 43.542 -34.890 1.00 0.56 O ATOM 316 CB LEU A 20 67.981 43.654 -35.936 1.00 0.64 C ATOM 317 CG LEU A 20 68.764 44.165 -37.132 1.00 0.77 C ATOM 318 CD1 LEU A 20 69.842 45.133 -36.647 1.00 1.13 C ATOM 319 CD2 LEU A 20 69.429 42.984 -37.843 1.00 1.34 C ATOM 0 H LEU A 20 68.257 43.767 -33.571 1.00 0.40 H new ATOM 0 HA LEU A 20 67.534 45.788 -35.644 1.00 0.48 H new ATOM 0 HB2 LEU A 20 68.638 43.083 -35.280 1.00 0.64 H new ATOM 0 HB3 LEU A 20 67.196 42.975 -36.270 1.00 0.64 H new ATOM 0 HG LEU A 20 68.092 44.676 -37.822 1.00 0.77 H new ATOM 0 HD11 LEU A 20 70.409 45.504 -37.501 1.00 1.13 H new ATOM 0 HD12 LEU A 20 69.373 45.971 -36.131 1.00 1.13 H new ATOM 0 HD13 LEU A 20 70.514 44.616 -35.963 1.00 1.13 H new ATOM 0 HD21 LEU A 20 69.992 43.347 -38.703 1.00 1.34 H new ATOM 0 HD22 LEU A 20 70.105 42.478 -37.154 1.00 1.34 H new ATOM 0 HD23 LEU A 20 68.664 42.284 -38.180 1.00 1.34 H new ATOM 331 N CYS A 21 65.082 45.673 -35.165 1.00 0.29 N ATOM 332 CA CYS A 21 63.612 45.470 -35.078 1.00 0.31 C ATOM 333 C CYS A 21 63.117 45.208 -36.501 1.00 0.32 C ATOM 334 O CYS A 21 63.123 46.078 -37.350 1.00 0.49 O ATOM 335 CB CYS A 21 63.052 46.767 -34.488 1.00 0.44 C ATOM 336 SG CYS A 21 64.046 47.264 -33.054 1.00 0.57 S ATOM 0 H CYS A 21 65.393 46.634 -35.310 1.00 0.29 H new ATOM 0 HA CYS A 21 63.303 44.631 -34.455 1.00 0.31 H new ATOM 0 HB2 CYS A 21 63.063 47.555 -35.241 1.00 0.44 H new ATOM 0 HB3 CYS A 21 62.013 46.624 -34.191 1.00 0.44 H new ATOM 341 N TYR A 22 62.772 43.976 -36.778 1.00 0.30 N ATOM 342 CA TYR A 22 62.367 43.592 -38.160 1.00 0.31 C ATOM 343 C TYR A 22 60.862 43.674 -38.400 1.00 0.31 C ATOM 344 O TYR A 22 60.057 43.672 -37.490 1.00 0.41 O ATOM 345 CB TYR A 22 62.815 42.131 -38.309 1.00 0.36 C ATOM 346 CG TYR A 22 61.808 41.214 -37.640 1.00 0.38 C ATOM 347 CD1 TYR A 22 61.807 41.054 -36.246 1.00 0.47 C ATOM 348 CD2 TYR A 22 60.877 40.527 -38.420 1.00 0.54 C ATOM 349 CE1 TYR A 22 60.877 40.208 -35.639 1.00 0.52 C ATOM 350 CE2 TYR A 22 59.942 39.679 -37.813 1.00 0.63 C ATOM 351 CZ TYR A 22 59.943 39.520 -36.422 1.00 0.55 C ATOM 352 OH TYR A 22 59.022 38.684 -35.820 1.00 0.66 O ATOM 0 H TYR A 22 62.754 43.215 -36.099 1.00 0.30 H new ATOM 0 HA TYR A 22 62.818 44.276 -38.879 1.00 0.31 H new ATOM 0 HB2 TYR A 22 62.908 41.875 -39.365 1.00 0.36 H new ATOM 0 HB3 TYR A 22 63.799 41.995 -37.860 1.00 0.36 H new ATOM 0 HD1 TYR A 22 62.527 41.586 -35.642 1.00 0.47 H new ATOM 0 HD2 TYR A 22 60.877 40.649 -39.493 1.00 0.54 H new ATOM 0 HE1 TYR A 22 60.878 40.085 -34.566 1.00 0.52 H new ATOM 0 HE2 TYR A 22 59.221 39.148 -38.417 1.00 0.63 H new ATOM 0 HH TYR A 22 58.997 38.864 -34.857 1.00 0.66 H new ATOM 362 N LYS A 23 60.502 43.659 -39.649 1.00 0.39 N ATOM 363 CA LYS A 23 59.075 43.641 -40.039 1.00 0.44 C ATOM 364 C LYS A 23 58.961 42.682 -41.222 1.00 0.45 C ATOM 365 O LYS A 23 59.613 42.853 -42.234 1.00 0.54 O ATOM 366 CB LYS A 23 58.692 45.070 -40.430 1.00 0.56 C ATOM 367 CG LYS A 23 59.810 45.716 -41.236 1.00 1.11 C ATOM 368 CD LYS A 23 59.195 46.729 -42.200 1.00 1.49 C ATOM 369 CE LYS A 23 59.790 48.114 -41.950 1.00 1.72 C ATOM 370 NZ LYS A 23 59.745 48.791 -43.276 1.00 2.18 N ATOM 0 H LYS A 23 61.155 43.658 -40.432 1.00 0.39 H new ATOM 0 HA LYS A 23 58.410 43.310 -39.242 1.00 0.44 H new ATOM 0 HB2 LYS A 23 57.772 45.060 -41.015 1.00 0.56 H new ATOM 0 HB3 LYS A 23 58.494 45.658 -39.534 1.00 0.56 H new ATOM 0 HG2 LYS A 23 60.519 46.209 -40.571 1.00 1.11 H new ATOM 0 HG3 LYS A 23 60.365 44.958 -41.788 1.00 1.11 H new ATOM 0 HD2 LYS A 23 59.382 46.424 -43.230 1.00 1.49 H new ATOM 0 HD3 LYS A 23 58.113 46.759 -42.068 1.00 1.49 H new ATOM 0 HE2 LYS A 23 59.214 48.664 -41.205 1.00 1.72 H new ATOM 0 HE3 LYS A 23 60.811 48.044 -41.576 1.00 1.72 H new ATOM 0 HZ1 LYS A 23 60.568 49.420 -43.373 1.00 2.18 H new ATOM 0 HZ2 LYS A 23 59.764 48.076 -44.031 1.00 2.18 H new ATOM 0 HZ3 LYS A 23 58.871 49.350 -43.351 1.00 2.18 H new ATOM 384 N MET A 24 58.189 41.647 -41.088 1.00 0.47 N ATOM 385 CA MET A 24 58.101 40.646 -42.201 1.00 0.53 C ATOM 386 C MET A 24 56.790 40.783 -42.971 1.00 0.53 C ATOM 387 O MET A 24 55.730 40.603 -42.425 1.00 0.59 O ATOM 388 CB MET A 24 58.180 39.295 -41.496 1.00 0.63 C ATOM 389 CG MET A 24 58.530 38.204 -42.506 1.00 0.99 C ATOM 390 SD MET A 24 58.299 36.568 -41.754 1.00 1.69 S ATOM 391 CE MET A 24 59.406 36.766 -40.329 1.00 2.37 C ATOM 0 H MET A 24 57.617 41.444 -40.268 1.00 0.47 H new ATOM 0 HA MET A 24 58.891 40.781 -42.940 1.00 0.53 H new ATOM 0 HB2 MET A 24 58.933 39.329 -40.708 1.00 0.63 H new ATOM 0 HB3 MET A 24 57.227 39.068 -41.017 1.00 0.63 H new ATOM 0 HG2 MET A 24 57.900 38.299 -43.390 1.00 0.99 H new ATOM 0 HG3 MET A 24 59.562 38.320 -42.836 1.00 0.99 H new ATOM 0 HE1 MET A 24 59.850 35.803 -40.077 1.00 2.37 H new ATOM 0 HE2 MET A 24 60.195 37.476 -40.577 1.00 2.37 H new ATOM 0 HE3 MET A 24 58.838 37.138 -39.476 1.00 2.37 H new ATOM 401 N PHE A 25 56.861 41.101 -44.240 1.00 0.53 N ATOM 402 CA PHE A 25 55.606 41.260 -45.038 1.00 0.58 C ATOM 403 C PHE A 25 55.819 40.840 -46.501 1.00 0.50 C ATOM 404 O PHE A 25 56.618 39.975 -46.801 1.00 0.49 O ATOM 405 CB PHE A 25 55.299 42.752 -44.942 1.00 0.70 C ATOM 406 CG PHE A 25 56.548 43.525 -45.282 1.00 0.61 C ATOM 407 CD1 PHE A 25 57.487 43.790 -44.280 1.00 0.78 C ATOM 408 CD2 PHE A 25 56.778 43.965 -46.594 1.00 0.84 C ATOM 409 CE1 PHE A 25 58.654 44.494 -44.584 1.00 0.83 C ATOM 410 CE2 PHE A 25 57.948 44.668 -46.897 1.00 0.86 C ATOM 411 CZ PHE A 25 58.886 44.932 -45.891 1.00 0.70 C ATOM 0 H PHE A 25 57.728 41.256 -44.755 1.00 0.53 H new ATOM 0 HA PHE A 25 54.794 40.635 -44.666 1.00 0.58 H new ATOM 0 HB2 PHE A 25 54.493 43.017 -45.626 1.00 0.70 H new ATOM 0 HB3 PHE A 25 54.960 43.004 -43.937 1.00 0.70 H new ATOM 0 HD1 PHE A 25 57.309 43.450 -43.270 1.00 0.78 H new ATOM 0 HD2 PHE A 25 56.053 43.761 -47.368 1.00 0.84 H new ATOM 0 HE1 PHE A 25 59.378 44.700 -43.809 1.00 0.83 H new ATOM 0 HE2 PHE A 25 58.128 45.007 -47.906 1.00 0.86 H new ATOM 0 HZ PHE A 25 59.790 45.475 -46.125 1.00 0.70 H new ATOM 421 N MET A 26 55.090 41.437 -47.412 1.00 0.56 N ATOM 422 CA MET A 26 55.224 41.065 -48.851 1.00 0.61 C ATOM 423 C MET A 26 56.131 42.053 -49.583 1.00 0.69 C ATOM 424 O MET A 26 56.936 42.741 -48.986 1.00 1.30 O ATOM 425 CB MET A 26 53.804 41.153 -49.429 1.00 0.72 C ATOM 426 CG MET A 26 52.775 40.634 -48.415 1.00 0.91 C ATOM 427 SD MET A 26 51.917 39.203 -49.111 1.00 1.46 S ATOM 428 CE MET A 26 53.338 38.085 -49.122 1.00 1.96 C ATOM 0 H MET A 26 54.406 42.168 -47.218 1.00 0.56 H new ATOM 0 HA MET A 26 55.662 40.073 -48.964 1.00 0.61 H new ATOM 0 HB2 MET A 26 53.575 42.186 -49.691 1.00 0.72 H new ATOM 0 HB3 MET A 26 53.743 40.570 -50.348 1.00 0.72 H new ATOM 0 HG2 MET A 26 53.272 40.357 -47.485 1.00 0.91 H new ATOM 0 HG3 MET A 26 52.059 41.419 -48.173 1.00 0.91 H new ATOM 0 HE1 MET A 26 53.004 37.070 -48.907 1.00 1.96 H new ATOM 0 HE2 MET A 26 53.813 38.110 -50.103 1.00 1.96 H new ATOM 0 HE3 MET A 26 54.055 38.400 -48.363 1.00 1.96 H new ATOM 438 N VAL A 27 55.995 42.130 -50.878 1.00 0.76 N ATOM 439 CA VAL A 27 56.832 43.077 -51.666 1.00 0.80 C ATOM 440 C VAL A 27 55.942 43.961 -52.544 1.00 0.91 C ATOM 441 O VAL A 27 56.354 45.012 -52.993 1.00 1.08 O ATOM 442 CB VAL A 27 57.739 42.199 -52.523 1.00 0.93 C ATOM 443 CG1 VAL A 27 58.489 43.075 -53.527 1.00 1.11 C ATOM 444 CG2 VAL A 27 58.748 41.486 -51.620 1.00 1.06 C ATOM 0 H VAL A 27 55.337 41.575 -51.426 1.00 0.76 H new ATOM 0 HA VAL A 27 57.410 43.745 -51.027 1.00 0.80 H new ATOM 0 HB VAL A 27 57.139 41.462 -53.058 1.00 0.93 H new ATOM 0 HG11 VAL A 27 59.138 42.451 -54.141 1.00 1.11 H new ATOM 0 HG12 VAL A 27 57.772 43.592 -54.166 1.00 1.11 H new ATOM 0 HG13 VAL A 27 59.092 43.808 -52.991 1.00 1.11 H new ATOM 0 HG21 VAL A 27 59.399 40.857 -52.227 1.00 1.06 H new ATOM 0 HG22 VAL A 27 59.349 42.226 -51.091 1.00 1.06 H new ATOM 0 HG23 VAL A 27 58.216 40.867 -50.898 1.00 1.06 H new ATOM 454 N ALA A 28 54.717 43.556 -52.781 1.00 0.94 N ATOM 455 CA ALA A 28 53.812 44.397 -53.614 1.00 1.10 C ATOM 456 C ALA A 28 53.947 45.847 -53.162 1.00 1.12 C ATOM 457 O ALA A 28 54.364 46.711 -53.908 1.00 1.33 O ATOM 458 CB ALA A 28 52.402 43.872 -53.335 1.00 1.15 C ATOM 0 H ALA A 28 54.311 42.687 -52.435 1.00 0.94 H new ATOM 0 HA ALA A 28 54.043 44.352 -54.678 1.00 1.10 H new ATOM 0 HB1 ALA A 28 51.679 44.445 -53.915 1.00 1.15 H new ATOM 0 HB2 ALA A 28 52.343 42.821 -53.617 1.00 1.15 H new ATOM 0 HB3 ALA A 28 52.179 43.976 -52.273 1.00 1.15 H new ATOM 464 N THR A 29 53.627 46.111 -51.928 1.00 1.00 N ATOM 465 CA THR A 29 53.766 47.492 -51.402 1.00 1.09 C ATOM 466 C THR A 29 54.847 47.502 -50.318 1.00 0.90 C ATOM 467 O THR A 29 54.561 47.249 -49.165 1.00 0.93 O ATOM 468 CB THR A 29 52.401 47.838 -50.806 1.00 1.33 C ATOM 469 OG1 THR A 29 51.417 47.809 -51.831 1.00 1.93 O ATOM 470 CG2 THR A 29 52.454 49.237 -50.188 1.00 1.85 C ATOM 0 H THR A 29 53.274 45.426 -51.260 1.00 1.00 H new ATOM 0 HA THR A 29 54.055 48.211 -52.168 1.00 1.09 H new ATOM 0 HB THR A 29 52.145 47.111 -50.036 1.00 1.33 H new ATOM 0 HG1 THR A 29 50.541 48.029 -51.450 1.00 1.93 H new ATOM 0 HG21 THR A 29 51.481 49.484 -49.763 1.00 1.85 H new ATOM 0 HG22 THR A 29 53.209 49.259 -49.403 1.00 1.85 H new ATOM 0 HG23 THR A 29 52.709 49.965 -50.958 1.00 1.85 H new ATOM 478 N PRO A 30 56.063 47.780 -50.716 1.00 0.99 N ATOM 479 CA PRO A 30 57.203 47.811 -49.757 1.00 1.03 C ATOM 480 C PRO A 30 57.033 48.932 -48.725 1.00 0.85 C ATOM 481 O PRO A 30 57.956 49.672 -48.442 1.00 0.90 O ATOM 482 CB PRO A 30 58.397 48.098 -50.668 1.00 1.44 C ATOM 483 CG PRO A 30 57.892 48.239 -52.113 1.00 1.67 C ATOM 484 CD PRO A 30 56.369 48.075 -52.131 1.00 1.36 C ATOM 0 HA PRO A 30 57.300 46.893 -49.178 1.00 1.03 H new ATOM 0 HB2 PRO A 30 58.901 49.012 -50.353 1.00 1.44 H new ATOM 0 HB3 PRO A 30 59.127 47.291 -50.600 1.00 1.44 H new ATOM 0 HG2 PRO A 30 58.170 49.213 -52.515 1.00 1.67 H new ATOM 0 HG3 PRO A 30 58.359 47.487 -52.749 1.00 1.67 H new ATOM 0 HD2 PRO A 30 55.867 48.980 -52.475 1.00 1.36 H new ATOM 0 HD3 PRO A 30 56.056 47.266 -52.791 1.00 1.36 H new ATOM 492 N LYS A 31 55.865 49.066 -48.169 1.00 0.96 N ATOM 493 CA LYS A 31 55.624 50.135 -47.162 1.00 1.02 C ATOM 494 C LYS A 31 54.430 49.767 -46.267 1.00 0.94 C ATOM 495 O LYS A 31 53.892 50.600 -45.565 1.00 1.09 O ATOM 496 CB LYS A 31 55.314 51.379 -47.995 1.00 1.39 C ATOM 497 CG LYS A 31 54.838 52.509 -47.081 1.00 1.90 C ATOM 498 CD LYS A 31 55.471 53.826 -47.532 1.00 2.38 C ATOM 499 CE LYS A 31 54.490 54.973 -47.286 1.00 2.81 C ATOM 500 NZ LYS A 31 55.035 55.693 -46.104 1.00 3.08 N ATOM 0 H LYS A 31 55.058 48.475 -48.370 1.00 0.96 H new ATOM 0 HA LYS A 31 56.475 50.285 -46.497 1.00 1.02 H new ATOM 0 HB2 LYS A 31 56.203 51.692 -48.543 1.00 1.39 H new ATOM 0 HB3 LYS A 31 54.547 51.150 -48.735 1.00 1.39 H new ATOM 0 HG2 LYS A 31 53.751 52.585 -47.114 1.00 1.90 H new ATOM 0 HG3 LYS A 31 55.112 52.296 -46.048 1.00 1.90 H new ATOM 0 HD2 LYS A 31 56.398 54.002 -46.986 1.00 2.38 H new ATOM 0 HD3 LYS A 31 55.729 53.774 -48.590 1.00 2.38 H new ATOM 0 HE2 LYS A 31 54.424 55.630 -48.153 1.00 2.81 H new ATOM 0 HE3 LYS A 31 53.485 54.599 -47.092 1.00 2.81 H new ATOM 0 HZ1 LYS A 31 54.417 56.496 -45.871 1.00 3.08 H new ATOM 0 HZ2 LYS A 31 55.080 55.044 -45.293 1.00 3.08 H new ATOM 0 HZ3 LYS A 31 55.990 56.043 -46.321 1.00 3.08 H new ATOM 514 N VAL A 32 54.018 48.524 -46.278 1.00 0.83 N ATOM 515 CA VAL A 32 52.867 48.106 -45.420 1.00 0.87 C ATOM 516 C VAL A 32 53.191 46.768 -44.743 1.00 0.69 C ATOM 517 O VAL A 32 52.517 45.780 -44.959 1.00 0.70 O ATOM 518 CB VAL A 32 51.685 47.966 -46.372 1.00 1.10 C ATOM 519 CG1 VAL A 32 52.031 46.958 -47.459 1.00 1.65 C ATOM 520 CG2 VAL A 32 50.458 47.484 -45.594 1.00 1.72 C ATOM 0 H VAL A 32 54.429 47.781 -46.844 1.00 0.83 H new ATOM 0 HA VAL A 32 52.652 48.823 -44.627 1.00 0.87 H new ATOM 0 HB VAL A 32 51.466 48.931 -46.829 1.00 1.10 H new ATOM 0 HG11 VAL A 32 51.188 46.855 -48.142 1.00 1.65 H new ATOM 0 HG12 VAL A 32 52.905 47.304 -48.011 1.00 1.65 H new ATOM 0 HG13 VAL A 32 52.249 45.992 -47.003 1.00 1.65 H new ATOM 0 HG21 VAL A 32 49.612 47.384 -46.274 1.00 1.72 H new ATOM 0 HG22 VAL A 32 50.673 46.518 -45.137 1.00 1.72 H new ATOM 0 HG23 VAL A 32 50.214 48.207 -44.816 1.00 1.72 H new ATOM 530 N PRO A 33 54.231 46.785 -43.948 1.00 0.67 N ATOM 531 CA PRO A 33 54.681 45.566 -43.234 1.00 0.65 C ATOM 532 C PRO A 33 53.568 45.011 -42.339 1.00 0.67 C ATOM 533 O PRO A 33 52.602 45.685 -42.044 1.00 0.79 O ATOM 534 CB PRO A 33 55.856 46.085 -42.399 1.00 0.82 C ATOM 535 CG PRO A 33 56.033 47.592 -42.673 1.00 0.91 C ATOM 536 CD PRO A 33 55.006 48.026 -43.719 1.00 0.84 C ATOM 0 HA PRO A 33 54.951 44.746 -43.899 1.00 0.65 H new ATOM 0 HB2 PRO A 33 55.670 45.913 -41.339 1.00 0.82 H new ATOM 0 HB3 PRO A 33 56.768 45.545 -42.654 1.00 0.82 H new ATOM 0 HG2 PRO A 33 55.899 48.161 -41.753 1.00 0.91 H new ATOM 0 HG3 PRO A 33 57.043 47.795 -43.029 1.00 0.91 H new ATOM 0 HD2 PRO A 33 54.375 48.836 -43.355 1.00 0.84 H new ATOM 0 HD3 PRO A 33 55.483 48.380 -44.633 1.00 0.84 H new ATOM 544 N VAL A 34 53.692 43.780 -41.906 1.00 0.64 N ATOM 545 CA VAL A 34 52.649 43.188 -41.039 1.00 0.72 C ATOM 546 C VAL A 34 53.278 42.591 -39.767 1.00 0.63 C ATOM 547 O VAL A 34 52.752 42.743 -38.683 1.00 0.79 O ATOM 548 CB VAL A 34 51.995 42.112 -41.897 1.00 0.84 C ATOM 549 CG1 VAL A 34 51.693 42.674 -43.289 1.00 1.32 C ATOM 550 CG2 VAL A 34 52.944 40.936 -42.034 1.00 1.19 C ATOM 0 H VAL A 34 54.477 43.165 -42.121 1.00 0.64 H new ATOM 0 HA VAL A 34 51.923 43.925 -40.696 1.00 0.72 H new ATOM 0 HB VAL A 34 51.067 41.789 -41.425 1.00 0.84 H new ATOM 0 HG11 VAL A 34 51.225 41.902 -43.900 1.00 1.32 H new ATOM 0 HG12 VAL A 34 51.017 43.524 -43.199 1.00 1.32 H new ATOM 0 HG13 VAL A 34 52.621 42.997 -43.760 1.00 1.32 H new ATOM 0 HG21 VAL A 34 52.480 40.164 -42.647 1.00 1.19 H new ATOM 0 HG22 VAL A 34 53.869 41.268 -42.506 1.00 1.19 H new ATOM 0 HG23 VAL A 34 53.166 40.531 -41.047 1.00 1.19 H new ATOM 560 N LYS A 35 54.406 41.930 -39.880 1.00 0.46 N ATOM 561 CA LYS A 35 55.055 41.352 -38.660 1.00 0.45 C ATOM 562 C LYS A 35 55.921 42.412 -37.991 1.00 0.39 C ATOM 563 O LYS A 35 56.574 43.187 -38.657 1.00 0.51 O ATOM 564 CB LYS A 35 55.937 40.211 -39.152 1.00 0.59 C ATOM 565 CG LYS A 35 55.355 38.869 -38.702 1.00 0.90 C ATOM 566 CD LYS A 35 55.647 38.657 -37.214 1.00 1.38 C ATOM 567 CE LYS A 35 54.752 37.540 -36.671 1.00 1.90 C ATOM 568 NZ LYS A 35 54.821 36.458 -37.693 1.00 2.50 N ATOM 0 H LYS A 35 54.902 41.767 -40.756 1.00 0.46 H new ATOM 0 HA LYS A 35 54.316 41.007 -37.937 1.00 0.45 H new ATOM 0 HB2 LYS A 35 56.010 40.239 -40.239 1.00 0.59 H new ATOM 0 HB3 LYS A 35 56.948 40.328 -38.762 1.00 0.59 H new ATOM 0 HG2 LYS A 35 54.280 38.850 -38.878 1.00 0.90 H new ATOM 0 HG3 LYS A 35 55.789 38.058 -39.287 1.00 0.90 H new ATOM 0 HD2 LYS A 35 56.696 38.398 -37.072 1.00 1.38 H new ATOM 0 HD3 LYS A 35 55.469 39.580 -36.663 1.00 1.38 H new ATOM 0 HE2 LYS A 35 55.104 37.189 -35.701 1.00 1.90 H new ATOM 0 HE3 LYS A 35 53.728 37.887 -36.532 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 54.564 35.550 -37.255 1.00 2.50 H new ATOM 0 HZ2 LYS A 35 54.159 36.669 -38.467 1.00 2.50 H new ATOM 0 HZ3 LYS A 35 55.788 36.398 -38.071 1.00 2.50 H new ATOM 582 N ARG A 36 55.937 42.437 -36.687 1.00 0.34 N ATOM 583 CA ARG A 36 56.766 43.445 -35.954 1.00 0.33 C ATOM 584 C ARG A 36 57.483 42.785 -34.767 1.00 0.36 C ATOM 585 O ARG A 36 56.883 42.519 -33.745 1.00 0.42 O ATOM 586 CB ARG A 36 55.763 44.492 -35.459 1.00 0.37 C ATOM 587 CG ARG A 36 56.023 45.823 -36.169 1.00 0.54 C ATOM 588 CD ARG A 36 55.478 45.752 -37.600 1.00 0.83 C ATOM 589 NE ARG A 36 54.916 47.103 -37.874 1.00 0.89 N ATOM 590 CZ ARG A 36 55.516 47.902 -38.714 1.00 1.07 C ATOM 591 NH1 ARG A 36 56.805 48.079 -38.637 1.00 1.76 N ATOM 592 NH2 ARG A 36 54.827 48.524 -39.633 1.00 1.27 N ATOM 0 H ARG A 36 55.409 41.800 -36.091 1.00 0.34 H new ATOM 0 HA ARG A 36 57.539 43.882 -36.586 1.00 0.33 H new ATOM 0 HB2 ARG A 36 54.744 44.156 -35.654 1.00 0.37 H new ATOM 0 HB3 ARG A 36 55.856 44.619 -34.380 1.00 0.37 H new ATOM 0 HG2 ARG A 36 55.544 46.637 -35.626 1.00 0.54 H new ATOM 0 HG3 ARG A 36 57.092 46.036 -36.185 1.00 0.54 H new ATOM 0 HD2 ARG A 36 56.267 45.503 -38.309 1.00 0.83 H new ATOM 0 HD3 ARG A 36 54.712 44.982 -37.692 1.00 0.83 H new ATOM 0 HE ARG A 36 54.062 47.404 -37.405 1.00 0.89 H new ATOM 0 HH11 ARG A 36 57.345 47.593 -37.921 1.00 1.76 H new ATOM 0 HH12 ARG A 36 57.274 48.703 -39.293 1.00 1.76 H new ATOM 0 HH21 ARG A 36 53.818 48.386 -39.695 1.00 1.27 H new ATOM 0 HH22 ARG A 36 55.298 49.148 -40.288 1.00 1.27 H new ATOM 606 N GLY A 37 58.760 42.509 -34.888 1.00 0.34 N ATOM 607 CA GLY A 37 59.479 41.858 -33.751 1.00 0.39 C ATOM 608 C GLY A 37 60.958 42.268 -33.732 1.00 0.38 C ATOM 609 O GLY A 37 61.344 43.285 -34.276 1.00 0.44 O ATOM 0 H GLY A 37 59.327 42.704 -35.713 1.00 0.34 H new ATOM 0 HA2 GLY A 37 59.008 42.138 -32.809 1.00 0.39 H new ATOM 0 HA3 GLY A 37 59.399 40.774 -33.837 1.00 0.39 H new ATOM 613 N CYS A 38 61.789 41.477 -33.095 1.00 0.40 N ATOM 614 CA CYS A 38 63.244 41.810 -33.017 1.00 0.41 C ATOM 615 C CYS A 38 64.091 40.783 -33.779 1.00 0.39 C ATOM 616 O CYS A 38 63.753 39.619 -33.866 1.00 0.42 O ATOM 617 CB CYS A 38 63.581 41.749 -31.527 1.00 0.52 C ATOM 618 SG CYS A 38 62.356 42.688 -30.586 1.00 1.14 S ATOM 0 H CYS A 38 61.519 40.613 -32.625 1.00 0.40 H new ATOM 0 HA CYS A 38 63.454 42.783 -33.461 1.00 0.41 H new ATOM 0 HB2 CYS A 38 63.596 40.713 -31.190 1.00 0.52 H new ATOM 0 HB3 CYS A 38 64.577 42.155 -31.353 1.00 0.52 H new ATOM 623 N ILE A 39 65.200 41.213 -34.318 1.00 0.38 N ATOM 624 CA ILE A 39 66.095 40.289 -35.064 1.00 0.39 C ATOM 625 C ILE A 39 67.554 40.547 -34.680 1.00 0.43 C ATOM 626 O ILE A 39 67.915 41.617 -34.238 1.00 0.48 O ATOM 627 CB ILE A 39 65.896 40.645 -36.552 1.00 0.38 C ATOM 628 CG1 ILE A 39 64.686 39.893 -37.104 1.00 0.39 C ATOM 629 CG2 ILE A 39 67.152 40.272 -37.359 1.00 0.43 C ATOM 630 CD1 ILE A 39 64.758 39.795 -38.629 1.00 0.42 C ATOM 0 H ILE A 39 65.526 42.178 -34.271 1.00 0.38 H new ATOM 0 HA ILE A 39 65.868 39.245 -34.847 1.00 0.39 H new ATOM 0 HB ILE A 39 65.726 41.718 -36.639 1.00 0.38 H new ATOM 0 HG12 ILE A 39 64.645 38.893 -36.672 1.00 0.39 H new ATOM 0 HG13 ILE A 39 63.769 40.404 -36.811 1.00 0.39 H new ATOM 0 HG21 ILE A 39 67.000 40.528 -38.408 1.00 0.43 H new ATOM 0 HG22 ILE A 39 68.010 40.822 -36.972 1.00 0.43 H new ATOM 0 HG23 ILE A 39 67.337 39.202 -37.270 1.00 0.43 H new ATOM 0 HD11 ILE A 39 63.887 39.256 -39.000 1.00 0.42 H new ATOM 0 HD12 ILE A 39 64.775 40.797 -39.058 1.00 0.42 H new ATOM 0 HD13 ILE A 39 65.664 39.262 -38.917 1.00 0.42 H new ATOM 642 N ASP A 40 68.389 39.584 -34.911 1.00 0.48 N ATOM 643 CA ASP A 40 69.846 39.758 -34.658 1.00 0.56 C ATOM 644 C ASP A 40 70.515 39.825 -36.041 1.00 0.58 C ATOM 645 O ASP A 40 71.513 40.488 -36.245 1.00 0.67 O ATOM 646 CB ASP A 40 70.283 38.518 -33.850 1.00 0.67 C ATOM 647 CG ASP A 40 71.220 37.621 -34.673 1.00 1.31 C ATOM 648 OD1 ASP A 40 72.281 38.094 -35.047 1.00 1.94 O ATOM 649 OD2 ASP A 40 70.860 36.480 -34.912 1.00 2.02 O ATOM 0 H ASP A 40 68.124 38.667 -35.270 1.00 0.48 H new ATOM 0 HA ASP A 40 70.112 40.655 -34.100 1.00 0.56 H new ATOM 0 HB2 ASP A 40 70.787 38.835 -32.937 1.00 0.67 H new ATOM 0 HB3 ASP A 40 69.404 37.949 -33.547 1.00 0.67 H new ATOM 654 N VAL A 41 69.924 39.143 -36.994 1.00 0.56 N ATOM 655 CA VAL A 41 70.443 39.138 -38.392 1.00 0.63 C ATOM 656 C VAL A 41 69.259 39.280 -39.358 1.00 0.58 C ATOM 657 O VAL A 41 68.291 38.551 -39.273 1.00 0.68 O ATOM 658 CB VAL A 41 71.117 37.773 -38.572 1.00 0.76 C ATOM 659 CG1 VAL A 41 70.169 36.664 -38.107 1.00 1.54 C ATOM 660 CG2 VAL A 41 71.455 37.562 -40.052 1.00 1.57 C ATOM 0 H VAL A 41 69.086 38.579 -36.854 1.00 0.56 H new ATOM 0 HA VAL A 41 71.140 39.953 -38.587 1.00 0.63 H new ATOM 0 HB VAL A 41 72.031 37.742 -37.978 1.00 0.76 H new ATOM 0 HG11 VAL A 41 70.651 35.695 -38.236 1.00 1.54 H new ATOM 0 HG12 VAL A 41 69.926 36.811 -37.055 1.00 1.54 H new ATOM 0 HG13 VAL A 41 69.254 36.696 -38.699 1.00 1.54 H new ATOM 0 HG21 VAL A 41 71.934 36.592 -40.181 1.00 1.57 H new ATOM 0 HG22 VAL A 41 70.540 37.596 -40.643 1.00 1.57 H new ATOM 0 HG23 VAL A 41 72.132 38.348 -40.386 1.00 1.57 H new ATOM 670 N CYS A 42 69.315 40.215 -40.265 1.00 0.72 N ATOM 671 CA CYS A 42 68.177 40.393 -41.215 1.00 0.76 C ATOM 672 C CYS A 42 68.339 39.479 -42.434 1.00 0.76 C ATOM 673 O CYS A 42 69.317 39.576 -43.148 1.00 0.90 O ATOM 674 CB CYS A 42 68.244 41.861 -41.637 1.00 1.00 C ATOM 675 SG CYS A 42 66.665 42.350 -42.375 1.00 1.13 S ATOM 0 H CYS A 42 70.094 40.861 -40.391 1.00 0.72 H new ATOM 0 HA CYS A 42 67.221 40.137 -40.759 1.00 0.76 H new ATOM 0 HB2 CYS A 42 68.464 42.489 -40.774 1.00 1.00 H new ATOM 0 HB3 CYS A 42 69.053 42.008 -42.352 1.00 1.00 H new ATOM 680 N PRO A 43 67.368 38.620 -42.646 1.00 0.70 N ATOM 681 CA PRO A 43 67.414 37.697 -43.800 1.00 0.80 C ATOM 682 C PRO A 43 67.542 38.483 -45.111 1.00 0.89 C ATOM 683 O PRO A 43 67.797 39.671 -45.111 1.00 0.97 O ATOM 684 CB PRO A 43 66.068 36.978 -43.706 1.00 0.80 C ATOM 685 CG PRO A 43 65.299 37.512 -42.485 1.00 0.72 C ATOM 686 CD PRO A 43 66.185 38.526 -41.757 1.00 0.65 C ATOM 0 HA PRO A 43 68.263 37.014 -43.787 1.00 0.80 H new ATOM 0 HB2 PRO A 43 65.490 37.141 -44.616 1.00 0.80 H new ATOM 0 HB3 PRO A 43 66.221 35.903 -43.614 1.00 0.80 H new ATOM 0 HG2 PRO A 43 64.367 37.981 -42.800 1.00 0.72 H new ATOM 0 HG3 PRO A 43 65.033 36.693 -41.817 1.00 0.72 H new ATOM 0 HD2 PRO A 43 65.688 39.489 -41.641 1.00 0.65 H new ATOM 0 HD3 PRO A 43 66.455 38.184 -40.758 1.00 0.65 H new ATOM 694 N LYS A 44 67.372 37.830 -46.228 1.00 1.04 N ATOM 695 CA LYS A 44 67.489 38.542 -47.536 1.00 1.19 C ATOM 696 C LYS A 44 66.118 38.652 -48.207 1.00 1.07 C ATOM 697 O LYS A 44 65.164 38.019 -47.798 1.00 1.52 O ATOM 698 CB LYS A 44 68.426 37.670 -48.371 1.00 1.53 C ATOM 699 CG LYS A 44 67.754 36.326 -48.658 1.00 2.08 C ATOM 700 CD LYS A 44 68.753 35.193 -48.422 1.00 2.77 C ATOM 701 CE LYS A 44 68.103 34.105 -47.564 1.00 3.61 C ATOM 702 NZ LYS A 44 68.990 32.919 -47.712 1.00 4.19 N ATOM 0 H LYS A 44 67.157 36.835 -46.293 1.00 1.04 H new ATOM 0 HA LYS A 44 67.865 39.559 -47.422 1.00 1.19 H new ATOM 0 HB2 LYS A 44 68.671 38.173 -49.306 1.00 1.53 H new ATOM 0 HB3 LYS A 44 69.364 37.513 -47.839 1.00 1.53 H new ATOM 0 HG2 LYS A 44 66.884 36.198 -48.014 1.00 2.08 H new ATOM 0 HG3 LYS A 44 67.395 36.300 -49.687 1.00 2.08 H new ATOM 0 HD2 LYS A 44 69.075 34.774 -49.375 1.00 2.77 H new ATOM 0 HD3 LYS A 44 69.644 35.578 -47.926 1.00 2.77 H new ATOM 0 HE2 LYS A 44 68.029 34.415 -46.522 1.00 3.61 H new ATOM 0 HE3 LYS A 44 67.091 33.886 -47.904 1.00 3.61 H new ATOM 0 HZ1 LYS A 44 68.610 32.129 -47.152 1.00 4.19 H new ATOM 0 HZ2 LYS A 44 69.036 32.642 -48.714 1.00 4.19 H new ATOM 0 HZ3 LYS A 44 69.945 33.155 -47.374 1.00 4.19 H new ATOM 716 N SER A 45 66.007 39.446 -49.239 1.00 1.01 N ATOM 717 CA SER A 45 64.693 39.582 -49.929 1.00 0.93 C ATOM 718 C SER A 45 64.323 38.259 -50.597 1.00 0.94 C ATOM 719 O SER A 45 65.172 37.437 -50.876 1.00 1.20 O ATOM 720 CB SER A 45 64.893 40.673 -50.980 1.00 1.04 C ATOM 721 OG SER A 45 66.274 40.772 -51.300 1.00 1.64 O ATOM 0 H SER A 45 66.766 40.003 -49.632 1.00 1.01 H new ATOM 0 HA SER A 45 63.889 39.836 -49.238 1.00 0.93 H new ATOM 0 HB2 SER A 45 64.317 40.441 -51.875 1.00 1.04 H new ATOM 0 HB3 SER A 45 64.526 41.628 -50.603 1.00 1.04 H new ATOM 0 HG SER A 45 66.678 41.499 -50.783 1.00 1.64 H new ATOM 727 N SER A 46 63.065 38.043 -50.855 1.00 0.84 N ATOM 728 CA SER A 46 62.653 36.768 -51.502 1.00 1.02 C ATOM 729 C SER A 46 61.797 37.048 -52.737 1.00 1.10 C ATOM 730 O SER A 46 61.853 38.115 -53.316 1.00 1.66 O ATOM 731 CB SER A 46 61.841 36.032 -50.439 1.00 1.08 C ATOM 732 OG SER A 46 61.682 34.675 -50.827 1.00 1.49 O ATOM 0 H SER A 46 62.306 38.692 -50.647 1.00 0.84 H new ATOM 0 HA SER A 46 63.508 36.183 -51.841 1.00 1.02 H new ATOM 0 HB2 SER A 46 62.346 36.090 -49.475 1.00 1.08 H new ATOM 0 HB3 SER A 46 60.866 36.504 -50.318 1.00 1.08 H new ATOM 0 HG SER A 46 61.163 34.199 -50.146 1.00 1.49 H new ATOM 738 N LEU A 47 61.012 36.092 -53.147 1.00 1.13 N ATOM 739 CA LEU A 47 60.157 36.291 -54.351 1.00 1.25 C ATOM 740 C LEU A 47 58.996 37.239 -54.038 1.00 0.98 C ATOM 741 O LEU A 47 58.847 38.277 -54.653 1.00 1.23 O ATOM 742 CB LEU A 47 59.631 34.896 -54.691 1.00 1.60 C ATOM 743 CG LEU A 47 60.283 34.404 -55.985 1.00 2.09 C ATOM 744 CD1 LEU A 47 60.590 32.911 -55.870 1.00 2.75 C ATOM 745 CD2 LEU A 47 59.327 34.636 -57.157 1.00 2.50 C ATOM 0 H LEU A 47 60.925 35.179 -52.700 1.00 1.13 H new ATOM 0 HA LEU A 47 60.710 36.737 -55.178 1.00 1.25 H new ATOM 0 HB2 LEU A 47 59.849 34.205 -53.876 1.00 1.60 H new ATOM 0 HB3 LEU A 47 58.547 34.923 -54.805 1.00 1.60 H new ATOM 0 HG LEU A 47 61.209 34.953 -56.154 1.00 2.09 H new ATOM 0 HD11 LEU A 47 61.054 32.563 -56.793 1.00 2.75 H new ATOM 0 HD12 LEU A 47 61.271 32.743 -55.035 1.00 2.75 H new ATOM 0 HD13 LEU A 47 59.664 32.361 -55.700 1.00 2.75 H new ATOM 0 HD21 LEU A 47 59.790 34.286 -58.079 1.00 2.50 H new ATOM 0 HD22 LEU A 47 58.401 34.087 -56.985 1.00 2.50 H new ATOM 0 HD23 LEU A 47 59.108 35.700 -57.242 1.00 2.50 H new ATOM 757 N LEU A 48 58.163 36.887 -53.098 1.00 0.79 N ATOM 758 CA LEU A 48 57.005 37.765 -52.765 1.00 0.85 C ATOM 759 C LEU A 48 57.060 38.221 -51.301 1.00 0.71 C ATOM 760 O LEU A 48 56.155 38.869 -50.814 1.00 0.92 O ATOM 761 CB LEU A 48 55.778 36.884 -53.010 1.00 1.16 C ATOM 762 CG LEU A 48 55.079 37.321 -54.300 1.00 1.67 C ATOM 763 CD1 LEU A 48 55.032 36.149 -55.282 1.00 2.36 C ATOM 764 CD2 LEU A 48 53.654 37.770 -53.976 1.00 2.47 C ATOM 0 H LEU A 48 58.233 36.032 -52.547 1.00 0.79 H new ATOM 0 HA LEU A 48 56.994 38.676 -53.364 1.00 0.85 H new ATOM 0 HB2 LEU A 48 56.078 35.839 -53.083 1.00 1.16 H new ATOM 0 HB3 LEU A 48 55.090 36.960 -52.168 1.00 1.16 H new ATOM 0 HG LEU A 48 55.631 38.147 -54.750 1.00 1.67 H new ATOM 0 HD11 LEU A 48 54.534 36.463 -56.199 1.00 2.36 H new ATOM 0 HD12 LEU A 48 56.047 35.826 -55.512 1.00 2.36 H new ATOM 0 HD13 LEU A 48 54.481 35.322 -54.835 1.00 2.36 H new ATOM 0 HD21 LEU A 48 53.154 38.082 -54.893 1.00 2.47 H new ATOM 0 HD22 LEU A 48 53.105 36.943 -53.526 1.00 2.47 H new ATOM 0 HD23 LEU A 48 53.686 38.606 -53.278 1.00 2.47 H new ATOM 776 N VAL A 49 58.108 37.891 -50.592 1.00 0.54 N ATOM 777 CA VAL A 49 58.196 38.314 -49.162 1.00 0.49 C ATOM 778 C VAL A 49 59.529 39.024 -48.885 1.00 0.42 C ATOM 779 O VAL A 49 60.540 38.728 -49.493 1.00 0.58 O ATOM 780 CB VAL A 49 58.092 37.014 -48.363 1.00 0.65 C ATOM 781 CG1 VAL A 49 59.281 36.110 -48.692 1.00 0.99 C ATOM 782 CG2 VAL A 49 58.091 37.332 -46.866 1.00 1.13 C ATOM 0 H VAL A 49 58.901 37.351 -50.938 1.00 0.54 H new ATOM 0 HA VAL A 49 57.413 39.023 -48.893 1.00 0.49 H new ATOM 0 HB VAL A 49 57.166 36.503 -48.627 1.00 0.65 H new ATOM 0 HG11 VAL A 49 59.204 35.185 -48.121 1.00 0.99 H new ATOM 0 HG12 VAL A 49 59.279 35.880 -49.757 1.00 0.99 H new ATOM 0 HG13 VAL A 49 60.209 36.620 -48.432 1.00 0.99 H new ATOM 0 HG21 VAL A 49 58.017 36.405 -46.297 1.00 1.13 H new ATOM 0 HG22 VAL A 49 59.015 37.846 -46.603 1.00 1.13 H new ATOM 0 HG23 VAL A 49 57.240 37.971 -46.630 1.00 1.13 H new ATOM 792 N LYS A 50 59.534 39.967 -47.976 1.00 0.40 N ATOM 793 CA LYS A 50 60.796 40.706 -47.665 1.00 0.42 C ATOM 794 C LYS A 50 60.887 41.009 -46.159 1.00 0.44 C ATOM 795 O LYS A 50 59.905 40.950 -45.445 1.00 0.55 O ATOM 796 CB LYS A 50 60.691 42.004 -48.473 1.00 0.57 C ATOM 797 CG LYS A 50 62.045 42.328 -49.107 1.00 1.02 C ATOM 798 CD LYS A 50 61.861 42.597 -50.605 1.00 1.41 C ATOM 799 CE LYS A 50 61.171 43.951 -50.806 1.00 1.74 C ATOM 800 NZ LYS A 50 62.193 44.970 -50.432 1.00 2.40 N ATOM 0 H LYS A 50 58.719 40.257 -47.436 1.00 0.40 H new ATOM 0 HA LYS A 50 61.687 40.132 -47.919 1.00 0.42 H new ATOM 0 HB2 LYS A 50 59.931 41.901 -49.248 1.00 0.57 H new ATOM 0 HB3 LYS A 50 60.377 42.822 -47.825 1.00 0.57 H new ATOM 0 HG2 LYS A 50 62.486 43.199 -48.622 1.00 1.02 H new ATOM 0 HG3 LYS A 50 62.735 41.498 -48.959 1.00 1.02 H new ATOM 0 HD2 LYS A 50 62.829 42.593 -51.107 1.00 1.41 H new ATOM 0 HD3 LYS A 50 61.265 41.804 -51.056 1.00 1.41 H new ATOM 0 HE2 LYS A 50 60.847 44.079 -51.839 1.00 1.74 H new ATOM 0 HE3 LYS A 50 60.282 44.037 -50.181 1.00 1.74 H new ATOM 0 HZ1 LYS A 50 62.025 45.844 -50.970 1.00 2.40 H new ATOM 0 HZ2 LYS A 50 62.126 45.171 -49.414 1.00 2.40 H new ATOM 0 HZ3 LYS A 50 63.142 44.606 -50.651 1.00 2.40 H new ATOM 814 N TYR A 51 62.064 41.328 -45.675 1.00 0.44 N ATOM 815 CA TYR A 51 62.223 41.631 -44.218 1.00 0.52 C ATOM 816 C TYR A 51 63.022 42.925 -44.021 1.00 0.45 C ATOM 817 O TYR A 51 64.188 42.993 -44.354 1.00 0.59 O ATOM 818 CB TYR A 51 63.043 40.477 -43.620 1.00 0.73 C ATOM 819 CG TYR A 51 62.411 39.132 -43.895 1.00 0.50 C ATOM 820 CD1 TYR A 51 62.250 38.680 -45.210 1.00 0.69 C ATOM 821 CD2 TYR A 51 62.019 38.320 -42.823 1.00 0.82 C ATOM 822 CE1 TYR A 51 61.686 37.422 -45.454 1.00 0.76 C ATOM 823 CE2 TYR A 51 61.461 37.059 -43.069 1.00 1.19 C ATOM 824 CZ TYR A 51 61.293 36.611 -44.384 1.00 1.05 C ATOM 825 OH TYR A 51 60.745 35.368 -44.624 1.00 1.47 O ATOM 0 H TYR A 51 62.920 41.391 -46.226 1.00 0.44 H new ATOM 0 HA TYR A 51 61.246 41.744 -43.748 1.00 0.52 H new ATOM 0 HB2 TYR A 51 64.051 40.496 -44.034 1.00 0.73 H new ATOM 0 HB3 TYR A 51 63.138 40.620 -42.544 1.00 0.73 H new ATOM 0 HD1 TYR A 51 62.561 39.302 -46.037 1.00 0.69 H new ATOM 0 HD2 TYR A 51 62.147 38.666 -41.808 1.00 0.82 H new ATOM 0 HE1 TYR A 51 61.554 37.077 -46.469 1.00 0.76 H new ATOM 0 HE2 TYR A 51 61.160 36.432 -42.243 1.00 1.19 H new ATOM 0 HH TYR A 51 60.529 34.936 -43.772 1.00 1.47 H new ATOM 835 N VAL A 52 62.432 43.934 -43.445 1.00 0.44 N ATOM 836 CA VAL A 52 63.207 45.184 -43.194 1.00 0.49 C ATOM 837 C VAL A 52 63.663 45.177 -41.737 1.00 0.43 C ATOM 838 O VAL A 52 62.879 44.938 -40.841 1.00 0.56 O ATOM 839 CB VAL A 52 62.243 46.342 -43.440 1.00 0.69 C ATOM 840 CG1 VAL A 52 62.900 47.650 -42.994 1.00 1.02 C ATOM 841 CG2 VAL A 52 61.903 46.426 -44.927 1.00 0.82 C ATOM 0 H VAL A 52 61.459 43.950 -43.140 1.00 0.44 H new ATOM 0 HA VAL A 52 64.083 45.270 -43.837 1.00 0.49 H new ATOM 0 HB VAL A 52 61.328 46.177 -42.871 1.00 0.69 H new ATOM 0 HG11 VAL A 52 62.214 48.479 -43.168 1.00 1.02 H new ATOM 0 HG12 VAL A 52 63.139 47.594 -41.932 1.00 1.02 H new ATOM 0 HG13 VAL A 52 63.815 47.810 -43.564 1.00 1.02 H new ATOM 0 HG21 VAL A 52 61.215 47.254 -45.097 1.00 0.82 H new ATOM 0 HG22 VAL A 52 62.816 46.589 -45.500 1.00 0.82 H new ATOM 0 HG23 VAL A 52 61.436 45.495 -45.247 1.00 0.82 H new ATOM 851 N CYS A 53 64.918 45.411 -41.482 1.00 0.44 N ATOM 852 CA CYS A 53 65.386 45.383 -40.067 1.00 0.47 C ATOM 853 C CYS A 53 66.194 46.637 -39.728 1.00 0.46 C ATOM 854 O CYS A 53 67.088 47.031 -40.450 1.00 0.68 O ATOM 855 CB CYS A 53 66.271 44.138 -39.962 1.00 0.73 C ATOM 856 SG CYS A 53 65.473 42.737 -40.790 1.00 1.39 S ATOM 0 H CYS A 53 65.633 45.618 -42.180 1.00 0.44 H new ATOM 0 HA CYS A 53 64.548 45.356 -39.370 1.00 0.47 H new ATOM 0 HB2 CYS A 53 67.243 44.333 -40.416 1.00 0.73 H new ATOM 0 HB3 CYS A 53 66.451 43.897 -38.914 1.00 0.73 H new ATOM 861 N CYS A 54 65.899 47.248 -38.614 1.00 0.39 N ATOM 862 CA CYS A 54 66.664 48.463 -38.197 1.00 0.51 C ATOM 863 C CYS A 54 67.431 48.139 -36.912 1.00 0.48 C ATOM 864 O CYS A 54 66.895 47.541 -36.005 1.00 0.46 O ATOM 865 CB CYS A 54 65.620 49.561 -37.965 1.00 0.68 C ATOM 866 SG CYS A 54 64.226 48.909 -37.015 1.00 1.08 S ATOM 0 H CYS A 54 65.161 46.960 -37.972 1.00 0.39 H new ATOM 0 HA CYS A 54 67.390 48.786 -38.943 1.00 0.51 H new ATOM 0 HB2 CYS A 54 66.073 50.397 -37.432 1.00 0.68 H new ATOM 0 HB3 CYS A 54 65.268 49.946 -38.922 1.00 0.68 H new ATOM 871 N ASN A 55 68.682 48.513 -36.832 1.00 0.52 N ATOM 872 CA ASN A 55 69.490 48.186 -35.608 1.00 0.55 C ATOM 873 C ASN A 55 69.374 49.294 -34.567 1.00 0.54 C ATOM 874 O ASN A 55 70.344 49.936 -34.216 1.00 0.61 O ATOM 875 CB ASN A 55 70.958 48.064 -36.069 1.00 0.67 C ATOM 876 CG ASN A 55 71.062 47.830 -37.585 1.00 1.48 C ATOM 877 OD1 ASN A 55 70.217 47.190 -38.177 1.00 2.23 O ATOM 878 ND2 ASN A 55 72.073 48.333 -38.239 1.00 2.32 N ATOM 0 H ASN A 55 69.182 49.029 -37.556 1.00 0.52 H new ATOM 0 HA ASN A 55 69.131 47.265 -35.150 1.00 0.55 H new ATOM 0 HB2 ASN A 55 71.499 48.972 -35.803 1.00 0.67 H new ATOM 0 HB3 ASN A 55 71.438 47.241 -35.540 1.00 0.67 H new ATOM 0 HD21 ASN A 55 72.152 48.188 -39.246 1.00 2.32 H new ATOM 0 HD22 ASN A 55 72.784 48.871 -37.744 1.00 2.32 H new ATOM 885 N THR A 56 68.199 49.510 -34.057 1.00 0.49 N ATOM 886 CA THR A 56 68.028 50.571 -33.015 1.00 0.50 C ATOM 887 C THR A 56 66.887 50.216 -32.059 1.00 0.48 C ATOM 888 O THR A 56 66.117 49.308 -32.303 1.00 0.57 O ATOM 889 CB THR A 56 67.744 51.901 -33.745 1.00 0.54 C ATOM 890 OG1 THR A 56 66.467 52.381 -33.366 1.00 1.15 O ATOM 891 CG2 THR A 56 67.803 51.728 -35.268 1.00 1.16 C ATOM 0 H THR A 56 67.350 49.005 -34.310 1.00 0.49 H new ATOM 0 HA THR A 56 68.932 50.659 -32.412 1.00 0.50 H new ATOM 0 HB THR A 56 68.512 52.620 -33.460 1.00 0.54 H new ATOM 0 HG1 THR A 56 66.265 53.201 -33.863 1.00 1.15 H new ATOM 0 HG21 THR A 56 67.598 52.684 -35.751 1.00 1.16 H new ATOM 0 HG22 THR A 56 68.795 51.381 -35.557 1.00 1.16 H new ATOM 0 HG23 THR A 56 67.058 50.997 -35.580 1.00 1.16 H new ATOM 899 N ASP A 57 66.759 50.944 -30.985 1.00 0.58 N ATOM 900 CA ASP A 57 65.653 50.676 -30.023 1.00 0.60 C ATOM 901 C ASP A 57 64.390 51.405 -30.496 1.00 0.59 C ATOM 902 O ASP A 57 64.384 52.608 -30.656 1.00 0.72 O ATOM 903 CB ASP A 57 66.140 51.246 -28.689 1.00 0.71 C ATOM 904 CG ASP A 57 67.009 50.208 -27.975 1.00 0.95 C ATOM 905 OD1 ASP A 57 66.640 49.045 -27.988 1.00 1.47 O ATOM 906 OD2 ASP A 57 68.028 50.594 -27.425 1.00 1.70 O ATOM 0 H ASP A 57 67.375 51.716 -30.731 1.00 0.58 H new ATOM 0 HA ASP A 57 65.409 49.617 -29.938 1.00 0.60 H new ATOM 0 HB2 ASP A 57 66.711 52.159 -28.859 1.00 0.71 H new ATOM 0 HB3 ASP A 57 65.288 51.514 -28.064 1.00 0.71 H new ATOM 911 N ARG A 58 63.322 50.691 -30.738 1.00 0.56 N ATOM 912 CA ARG A 58 62.078 51.364 -31.219 1.00 0.61 C ATOM 913 C ARG A 58 62.316 51.950 -32.615 1.00 0.60 C ATOM 914 O ARG A 58 62.258 53.148 -32.813 1.00 0.87 O ATOM 915 CB ARG A 58 61.818 52.483 -30.207 1.00 0.73 C ATOM 916 CG ARG A 58 60.342 52.485 -29.805 1.00 0.93 C ATOM 917 CD ARG A 58 59.580 53.499 -30.661 1.00 1.16 C ATOM 918 NE ARG A 58 58.161 53.056 -30.608 1.00 1.10 N ATOM 919 CZ ARG A 58 57.362 53.305 -31.605 1.00 1.34 C ATOM 920 NH1 ARG A 58 56.724 54.441 -31.671 1.00 1.52 N ATOM 921 NH2 ARG A 58 57.206 52.414 -32.538 1.00 1.91 N ATOM 0 H ARG A 58 63.256 49.679 -30.625 1.00 0.56 H new ATOM 0 HA ARG A 58 61.233 50.679 -31.293 1.00 0.61 H new ATOM 0 HB2 ARG A 58 62.444 52.342 -29.326 1.00 0.73 H new ATOM 0 HB3 ARG A 58 62.088 53.447 -30.639 1.00 0.73 H new ATOM 0 HG2 ARG A 58 59.917 51.490 -29.937 1.00 0.93 H new ATOM 0 HG3 ARG A 58 60.242 52.737 -28.749 1.00 0.93 H new ATOM 0 HD2 ARG A 58 59.693 54.510 -30.270 1.00 1.16 H new ATOM 0 HD3 ARG A 58 59.952 53.510 -31.685 1.00 1.16 H new ATOM 0 HE ARG A 58 57.814 52.556 -29.789 1.00 1.10 H new ATOM 0 HH11 ARG A 58 56.850 55.140 -30.939 1.00 1.52 H new ATOM 0 HH12 ARG A 58 56.099 54.630 -32.455 1.00 1.52 H new ATOM 0 HH21 ARG A 58 57.708 51.527 -32.486 1.00 1.91 H new ATOM 0 HH22 ARG A 58 56.582 52.601 -33.323 1.00 1.91 H new ATOM 935 N CYS A 59 62.597 51.117 -33.586 1.00 0.44 N ATOM 936 CA CYS A 59 62.854 51.635 -34.960 1.00 0.47 C ATOM 937 C CYS A 59 61.960 50.940 -36.003 1.00 0.60 C ATOM 938 O CYS A 59 61.857 51.389 -37.127 1.00 1.14 O ATOM 939 CB CYS A 59 64.327 51.323 -35.210 1.00 0.42 C ATOM 940 SG CYS A 59 64.587 49.538 -35.134 1.00 0.84 S ATOM 0 H CYS A 59 62.659 50.104 -33.485 1.00 0.44 H new ATOM 0 HA CYS A 59 62.629 52.698 -35.045 1.00 0.47 H new ATOM 0 HB2 CYS A 59 64.630 51.704 -36.185 1.00 0.42 H new ATOM 0 HB3 CYS A 59 64.947 51.823 -34.466 1.00 0.42 H new ATOM 945 N ASN A 60 61.306 49.860 -35.655 1.00 0.52 N ATOM 946 CA ASN A 60 60.426 49.178 -36.658 1.00 0.55 C ATOM 947 C ASN A 60 58.954 49.498 -36.380 1.00 0.71 C ATOM 948 O ASN A 60 58.177 48.567 -36.253 1.00 1.39 O ATOM 949 CB ASN A 60 60.692 47.675 -36.508 1.00 0.41 C ATOM 950 CG ASN A 60 60.035 47.142 -35.231 1.00 0.36 C ATOM 951 OD1 ASN A 60 60.093 47.770 -34.193 1.00 0.43 O ATOM 952 ND2 ASN A 60 59.412 45.991 -35.265 1.00 0.40 N ATOM 953 OXT ASN A 60 58.630 50.672 -36.307 1.00 1.25 O ATOM 0 H ASN A 60 61.341 49.424 -34.733 1.00 0.52 H new ATOM 0 HA ASN A 60 60.640 49.516 -37.672 1.00 0.55 H new ATOM 0 HB2 ASN A 60 60.302 47.142 -37.375 1.00 0.41 H new ATOM 0 HB3 ASN A 60 61.766 47.490 -36.477 1.00 0.41 H new ATOM 0 HD21 ASN A 60 58.976 45.622 -34.420 1.00 0.40 H new ATOM 0 HD22 ASN A 60 59.363 45.463 -36.136 1.00 0.40 H new TER 960 ASN A 60