USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 376 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 8 LYS NZ :NH3+ 172:sc= 3.55 (180deg=1.12) USER MOD Set 1.2: A 39 ASN : amide:sc= 1.78 K(o=6.8,f=-5.6!) USER MOD Set 1.3: A 42 ASN : amide:sc= 1.46 K(o=6.8,f=-4.4!) USER MOD Set 2.1: A 7 LYS NZ :NH3+ -120:sc= 1.21 (180deg=0.29) USER MOD Set 2.2: A 20 TYR OH : rot 124:sc= 1.27 USER MOD Set 3.1: A 4 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 23 SER OG : rot -36:sc= 0.555 USER MOD Single : A 13 LYS NZ :NH3+ -146:sc= -0.652 (180deg=-1.51) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -43:sc= 0.654 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 89:sc= 0.0193 USER MOD Single : A 33 TYR OH : rot -149:sc= 1.23 USER MOD Single : A 41 ASN : amide:sc= 2.17 K(o=2.2,f=-7.5!) USER MOD Single : A 45 THR OG1 : rot -170:sc= 0.814 USER MOD Single : A 47 HIS : no HD1:sc= -0.0405 X(o=-0.04,f=0) USER MOD Single : A 48 GLN : amide:sc= 0.861 K(o=0.86,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 2 -10.697 -0.330 2.826 1.00 0.99 N ATOM 15 CA ILE A 2 -9.259 -0.519 3.009 1.00 0.86 C ATOM 16 C ILE A 2 -8.474 0.602 2.327 1.00 0.73 C ATOM 17 O ILE A 2 -7.433 1.025 2.817 1.00 0.96 O ATOM 18 CB ILE A 2 -8.806 -1.908 2.521 1.00 0.90 C ATOM 19 CG1 ILE A 2 -9.151 -2.185 1.044 1.00 0.86 C ATOM 20 CG2 ILE A 2 -9.393 -2.991 3.433 1.00 1.16 C ATOM 21 CD1 ILE A 2 -8.696 -3.579 0.597 1.00 1.78 C ATOM 0 HA ILE A 2 -9.047 -0.472 4.077 1.00 0.86 H new ATOM 0 HB ILE A 2 -7.718 -1.927 2.577 1.00 0.90 H new ATOM 0 HG12 ILE A 2 -10.227 -2.092 0.900 1.00 0.86 H new ATOM 0 HG13 ILE A 2 -8.679 -1.431 0.414 1.00 0.86 H new ATOM 0 HG21 ILE A 2 -9.071 -3.973 3.086 1.00 1.16 H new ATOM 0 HG22 ILE A 2 -9.045 -2.835 4.454 1.00 1.16 H new ATOM 0 HG23 ILE A 2 -10.481 -2.936 3.409 1.00 1.16 H new ATOM 0 HD11 ILE A 2 -8.960 -3.730 -0.450 1.00 1.78 H new ATOM 0 HD12 ILE A 2 -7.616 -3.664 0.715 1.00 1.78 H new ATOM 0 HD13 ILE A 2 -9.188 -4.336 1.208 1.00 1.78 H new ATOM 33 N CYS A 3 -9.019 1.140 1.232 1.00 0.69 N ATOM 34 CA CYS A 3 -8.435 2.259 0.507 1.00 0.86 C ATOM 35 C CYS A 3 -8.021 3.405 1.440 1.00 0.98 C ATOM 36 O CYS A 3 -7.119 4.167 1.109 1.00 1.20 O ATOM 37 CB CYS A 3 -9.405 2.804 -0.552 1.00 1.05 C ATOM 38 SG CYS A 3 -10.311 1.636 -1.597 1.00 1.26 S ATOM 0 H CYS A 3 -9.890 0.802 0.823 1.00 0.69 H new ATOM 0 HA CYS A 3 -7.542 1.869 0.019 1.00 0.86 H new ATOM 0 HB2 CYS A 3 -10.140 3.423 -0.037 1.00 1.05 H new ATOM 0 HB3 CYS A 3 -8.838 3.462 -1.210 1.00 1.05 H new ATOM 43 N SER A 4 -8.696 3.564 2.586 1.00 0.99 N ATOM 44 CA SER A 4 -8.482 4.704 3.454 1.00 1.22 C ATOM 45 C SER A 4 -7.221 4.552 4.322 1.00 1.16 C ATOM 46 O SER A 4 -6.793 5.550 4.899 1.00 1.18 O ATOM 47 CB SER A 4 -9.724 4.909 4.332 1.00 1.46 C ATOM 48 OG SER A 4 -10.531 5.952 3.815 1.00 1.87 O ATOM 0 H SER A 4 -9.398 2.906 2.926 1.00 0.99 H new ATOM 0 HA SER A 4 -8.322 5.581 2.827 1.00 1.22 H new ATOM 0 HB2 SER A 4 -10.300 3.985 4.379 1.00 1.46 H new ATOM 0 HB3 SER A 4 -9.421 5.147 5.351 1.00 1.46 H new ATOM 0 HG SER A 4 -11.319 6.069 4.385 1.00 1.87 H new ATOM 54 N GLU A 5 -6.649 3.348 4.489 1.00 1.15 N ATOM 55 CA GLU A 5 -5.545 3.178 5.427 1.00 1.09 C ATOM 56 C GLU A 5 -4.340 4.050 5.043 1.00 1.25 C ATOM 57 O GLU A 5 -4.091 4.246 3.852 1.00 1.59 O ATOM 58 CB GLU A 5 -5.070 1.729 5.440 1.00 1.30 C ATOM 59 CG GLU A 5 -6.083 0.670 5.877 1.00 1.34 C ATOM 60 CD GLU A 5 -5.333 -0.641 6.036 1.00 2.18 C ATOM 61 OE1 GLU A 5 -4.628 -0.741 7.063 1.00 3.05 O ATOM 62 OE2 GLU A 5 -5.360 -1.472 5.098 1.00 3.21 O ATOM 0 H GLU A 5 -6.930 2.500 3.996 1.00 1.15 H new ATOM 0 HA GLU A 5 -5.921 3.473 6.407 1.00 1.09 H new ATOM 0 HB2 GLU A 5 -4.727 1.476 4.437 1.00 1.30 H new ATOM 0 HB3 GLU A 5 -4.204 1.662 6.099 1.00 1.30 H new ATOM 0 HG2 GLU A 5 -6.557 0.957 6.816 1.00 1.34 H new ATOM 0 HG3 GLU A 5 -6.877 0.570 5.137 1.00 1.34 H new ATOM 69 N PRO A 6 -3.547 4.516 6.020 1.00 1.17 N ATOM 70 CA PRO A 6 -2.325 5.251 5.753 1.00 1.43 C ATOM 71 C PRO A 6 -1.229 4.299 5.259 1.00 1.27 C ATOM 72 O PRO A 6 -1.358 3.076 5.333 1.00 1.12 O ATOM 73 CB PRO A 6 -1.949 5.882 7.096 1.00 1.60 C ATOM 74 CG PRO A 6 -2.438 4.839 8.101 1.00 1.35 C ATOM 75 CD PRO A 6 -3.711 4.297 7.449 1.00 1.05 C ATOM 0 HA PRO A 6 -2.449 6.004 4.975 1.00 1.43 H new ATOM 0 HB2 PRO A 6 -0.875 6.052 7.178 1.00 1.60 H new ATOM 0 HB3 PRO A 6 -2.437 6.846 7.242 1.00 1.60 H new ATOM 0 HG2 PRO A 6 -1.699 4.053 8.257 1.00 1.35 H new ATOM 0 HG3 PRO A 6 -2.642 5.283 9.075 1.00 1.35 H new ATOM 0 HD2 PRO A 6 -3.843 3.238 7.670 1.00 1.05 H new ATOM 0 HD3 PRO A 6 -4.594 4.814 7.825 1.00 1.05 H new ATOM 83 N LYS A 7 -0.121 4.873 4.785 1.00 1.46 N ATOM 84 CA LYS A 7 1.071 4.112 4.453 1.00 1.17 C ATOM 85 C LYS A 7 1.684 3.555 5.732 1.00 1.00 C ATOM 86 O LYS A 7 1.731 4.233 6.756 1.00 1.14 O ATOM 87 CB LYS A 7 2.050 5.023 3.700 1.00 1.26 C ATOM 88 CG LYS A 7 3.332 4.357 3.207 1.00 0.98 C ATOM 89 CD LYS A 7 4.191 5.389 2.428 1.00 1.81 C ATOM 90 CE LYS A 7 3.353 6.051 1.322 1.00 2.75 C ATOM 91 NZ LYS A 7 4.092 6.533 0.134 1.00 4.30 N ATOM 0 H LYS A 7 -0.031 5.876 4.623 1.00 1.46 H new ATOM 0 HA LYS A 7 0.825 3.270 3.806 1.00 1.17 H new ATOM 0 HB2 LYS A 7 1.532 5.451 2.842 1.00 1.26 H new ATOM 0 HB3 LYS A 7 2.322 5.852 4.354 1.00 1.26 H new ATOM 0 HG2 LYS A 7 3.897 3.963 4.052 1.00 0.98 H new ATOM 0 HG3 LYS A 7 3.090 3.511 2.563 1.00 0.98 H new ATOM 0 HD2 LYS A 7 4.569 6.149 3.112 1.00 1.81 H new ATOM 0 HD3 LYS A 7 5.058 4.895 1.990 1.00 1.81 H new ATOM 0 HE2 LYS A 7 2.601 5.336 0.989 1.00 2.75 H new ATOM 0 HE3 LYS A 7 2.819 6.895 1.758 1.00 2.75 H new ATOM 0 HZ1 LYS A 7 3.951 7.558 0.030 1.00 4.30 H new ATOM 0 HZ2 LYS A 7 5.106 6.333 0.251 1.00 4.30 H new ATOM 0 HZ3 LYS A 7 3.739 6.047 -0.715 1.00 4.30 H new ATOM 105 N LYS A 8 2.176 2.320 5.653 1.00 0.92 N ATOM 106 CA LYS A 8 2.854 1.642 6.736 1.00 0.94 C ATOM 107 C LYS A 8 3.847 0.683 6.092 1.00 0.95 C ATOM 108 O LYS A 8 3.617 0.249 4.967 1.00 1.36 O ATOM 109 CB LYS A 8 1.822 0.979 7.664 1.00 1.08 C ATOM 110 CG LYS A 8 0.797 0.030 7.022 1.00 1.36 C ATOM 111 CD LYS A 8 1.207 -1.454 6.995 1.00 2.68 C ATOM 112 CE LYS A 8 1.785 -1.922 5.649 1.00 4.55 C ATOM 113 NZ LYS A 8 1.323 -3.277 5.307 1.00 5.45 N ATOM 0 H LYS A 8 2.108 1.755 4.807 1.00 0.92 H new ATOM 0 HA LYS A 8 3.411 2.318 7.385 1.00 0.94 H new ATOM 0 HB2 LYS A 8 2.365 0.421 8.427 1.00 1.08 H new ATOM 0 HB3 LYS A 8 1.274 1.769 8.177 1.00 1.08 H new ATOM 0 HG2 LYS A 8 -0.146 0.120 7.561 1.00 1.36 H new ATOM 0 HG3 LYS A 8 0.612 0.358 5.999 1.00 1.36 H new ATOM 0 HD2 LYS A 8 1.946 -1.630 7.776 1.00 2.68 H new ATOM 0 HD3 LYS A 8 0.337 -2.065 7.236 1.00 2.68 H new ATOM 0 HE2 LYS A 8 1.490 -1.226 4.863 1.00 4.55 H new ATOM 0 HE3 LYS A 8 2.874 -1.908 5.695 1.00 4.55 H new ATOM 0 HZ1 LYS A 8 1.618 -3.510 4.337 1.00 5.45 H new ATOM 0 HZ2 LYS A 8 1.738 -3.963 5.969 1.00 5.45 H new ATOM 0 HZ3 LYS A 8 0.286 -3.317 5.372 1.00 5.45 H new ATOM 127 N VAL A 9 4.968 0.404 6.758 1.00 0.80 N ATOM 128 CA VAL A 9 6.020 -0.452 6.222 1.00 0.83 C ATOM 129 C VAL A 9 5.749 -1.894 6.646 1.00 1.09 C ATOM 130 O VAL A 9 5.339 -2.718 5.830 1.00 1.48 O ATOM 131 CB VAL A 9 7.399 0.072 6.667 1.00 0.86 C ATOM 132 CG1 VAL A 9 8.532 -0.845 6.186 1.00 0.94 C ATOM 133 CG2 VAL A 9 7.636 1.486 6.118 1.00 1.04 C ATOM 0 H VAL A 9 5.170 0.769 7.689 1.00 0.80 H new ATOM 0 HA VAL A 9 6.024 -0.432 5.132 1.00 0.83 H new ATOM 0 HB VAL A 9 7.402 0.091 7.757 1.00 0.86 H new ATOM 0 HG11 VAL A 9 9.490 -0.445 6.518 1.00 0.94 H new ATOM 0 HG12 VAL A 9 8.393 -1.843 6.601 1.00 0.94 H new ATOM 0 HG13 VAL A 9 8.519 -0.899 5.097 1.00 0.94 H new ATOM 0 HG21 VAL A 9 8.614 1.842 6.441 1.00 1.04 H new ATOM 0 HG22 VAL A 9 7.599 1.464 5.029 1.00 1.04 H new ATOM 0 HG23 VAL A 9 6.863 2.157 6.494 1.00 1.04 H new ATOM 143 N GLY A 10 5.954 -2.207 7.924 1.00 1.33 N ATOM 144 CA GLY A 10 5.725 -3.533 8.458 1.00 1.76 C ATOM 145 C GLY A 10 6.378 -3.630 9.830 1.00 1.32 C ATOM 146 O GLY A 10 7.083 -2.706 10.241 1.00 1.77 O ATOM 0 H GLY A 10 6.286 -1.537 8.617 1.00 1.33 H new ATOM 0 HA2 GLY A 10 4.656 -3.729 8.535 1.00 1.76 H new ATOM 0 HA3 GLY A 10 6.140 -4.286 7.788 1.00 1.76 H new ATOM 150 N ARG A 11 6.156 -4.743 10.536 1.00 1.66 N ATOM 151 CA ARG A 11 6.926 -5.035 11.736 1.00 1.78 C ATOM 152 C ARG A 11 8.321 -5.471 11.286 1.00 1.31 C ATOM 153 O ARG A 11 9.325 -4.960 11.785 1.00 1.34 O ATOM 154 CB ARG A 11 6.206 -6.031 12.663 1.00 2.53 C ATOM 155 CG ARG A 11 6.156 -7.469 12.137 1.00 3.89 C ATOM 156 CD ARG A 11 5.381 -8.396 13.079 1.00 4.66 C ATOM 157 NE ARG A 11 5.474 -9.795 12.625 1.00 6.27 N ATOM 158 CZ ARG A 11 4.868 -10.840 13.213 1.00 7.28 C ATOM 159 NH1 ARG A 11 4.093 -10.644 14.285 1.00 7.06 N ATOM 160 NH2 ARG A 11 5.042 -12.074 12.724 1.00 8.96 N ATOM 0 H ARG A 11 5.457 -5.446 10.296 1.00 1.66 H new ATOM 0 HA ARG A 11 7.028 -4.149 12.362 1.00 1.78 H new ATOM 0 HB2 ARG A 11 6.704 -6.030 13.633 1.00 2.53 H new ATOM 0 HB3 ARG A 11 5.186 -5.682 12.828 1.00 2.53 H new ATOM 0 HG2 ARG A 11 5.689 -7.479 11.152 1.00 3.89 H new ATOM 0 HG3 ARG A 11 7.171 -7.845 12.012 1.00 3.89 H new ATOM 0 HD2 ARG A 11 5.778 -8.309 14.090 1.00 4.66 H new ATOM 0 HD3 ARG A 11 4.336 -8.090 13.120 1.00 4.66 H new ATOM 0 HE ARG A 11 6.043 -9.985 11.800 1.00 6.27 H new ATOM 0 HH11 ARG A 11 3.963 -9.702 14.655 1.00 7.06 H new ATOM 0 HH12 ARG A 11 3.632 -11.436 14.733 1.00 7.06 H new ATOM 0 HH21 ARG A 11 5.634 -12.220 11.906 1.00 8.96 H new ATOM 0 HH22 ARG A 11 4.583 -12.868 13.169 1.00 8.96 H new ATOM 174 N CYS A 12 8.385 -6.315 10.248 1.00 1.90 N ATOM 175 CA CYS A 12 9.636 -6.574 9.551 1.00 1.36 C ATOM 176 C CYS A 12 9.955 -5.302 8.769 1.00 1.34 C ATOM 177 O CYS A 12 9.042 -4.594 8.350 1.00 1.90 O ATOM 178 CB CYS A 12 9.504 -7.740 8.568 1.00 1.60 C ATOM 179 SG CYS A 12 9.241 -9.400 9.223 1.00 2.37 S ATOM 0 H CYS A 12 7.583 -6.826 9.879 1.00 1.90 H new ATOM 0 HA CYS A 12 10.416 -6.838 10.266 1.00 1.36 H new ATOM 0 HB2 CYS A 12 8.675 -7.514 7.897 1.00 1.60 H new ATOM 0 HB3 CYS A 12 10.409 -7.764 7.960 1.00 1.60 H new ATOM 184 N LYS A 13 11.241 -4.948 8.657 1.00 1.31 N ATOM 185 CA LYS A 13 11.621 -3.675 8.054 1.00 1.95 C ATOM 186 C LYS A 13 11.581 -3.787 6.528 1.00 2.18 C ATOM 187 O LYS A 13 10.801 -3.083 5.901 1.00 4.02 O ATOM 188 CB LYS A 13 12.965 -3.172 8.613 1.00 2.31 C ATOM 189 CG LYS A 13 12.926 -1.658 8.886 1.00 3.24 C ATOM 190 CD LYS A 13 12.498 -1.235 10.308 1.00 4.37 C ATOM 191 CE LYS A 13 11.101 -1.684 10.778 1.00 5.86 C ATOM 192 NZ LYS A 13 11.086 -3.095 11.217 1.00 6.31 N ATOM 0 H LYS A 13 12.024 -5.520 8.973 1.00 1.31 H new ATOM 0 HA LYS A 13 10.896 -2.909 8.327 1.00 1.95 H new ATOM 0 HB2 LYS A 13 13.200 -3.704 9.535 1.00 2.31 H new ATOM 0 HB3 LYS A 13 13.762 -3.395 7.904 1.00 2.31 H new ATOM 0 HG2 LYS A 13 13.917 -1.248 8.690 1.00 3.24 H new ATOM 0 HG3 LYS A 13 12.244 -1.198 8.171 1.00 3.24 H new ATOM 0 HD2 LYS A 13 13.234 -1.622 11.013 1.00 4.37 H new ATOM 0 HD3 LYS A 13 12.542 -0.147 10.366 1.00 4.37 H new ATOM 0 HE2 LYS A 13 10.774 -1.046 11.599 1.00 5.86 H new ATOM 0 HE3 LYS A 13 10.386 -1.550 9.966 1.00 5.86 H new ATOM 0 HZ1 LYS A 13 10.169 -3.523 10.978 1.00 6.31 H new ATOM 0 HZ2 LYS A 13 11.847 -3.616 10.736 1.00 6.31 H new ATOM 0 HZ3 LYS A 13 11.232 -3.140 12.246 1.00 6.31 H new ATOM 206 N GLY A 14 12.379 -4.705 5.967 1.00 1.11 N ATOM 207 CA GLY A 14 12.298 -5.161 4.581 1.00 1.03 C ATOM 208 C GLY A 14 12.400 -4.068 3.511 1.00 1.05 C ATOM 209 O GLY A 14 12.600 -2.891 3.804 1.00 1.79 O ATOM 0 H GLY A 14 13.125 -5.165 6.489 1.00 1.11 H new ATOM 0 HA2 GLY A 14 13.094 -5.886 4.410 1.00 1.03 H new ATOM 0 HA3 GLY A 14 11.353 -5.688 4.446 1.00 1.03 H new ATOM 213 N TYR A 15 12.290 -4.481 2.243 1.00 0.81 N ATOM 214 CA TYR A 15 12.152 -3.597 1.103 1.00 0.73 C ATOM 215 C TYR A 15 11.300 -4.288 0.038 1.00 0.64 C ATOM 216 O TYR A 15 11.823 -5.073 -0.748 1.00 0.89 O ATOM 217 CB TYR A 15 13.542 -3.255 0.575 1.00 0.84 C ATOM 218 CG TYR A 15 13.533 -2.280 -0.588 1.00 0.83 C ATOM 219 CD1 TYR A 15 13.421 -0.899 -0.341 1.00 0.83 C ATOM 220 CD2 TYR A 15 13.523 -2.753 -1.914 1.00 0.92 C ATOM 221 CE1 TYR A 15 13.261 0.000 -1.410 1.00 0.89 C ATOM 222 CE2 TYR A 15 13.337 -1.856 -2.980 1.00 0.98 C ATOM 223 CZ TYR A 15 13.201 -0.482 -2.729 1.00 0.96 C ATOM 224 OH TYR A 15 12.992 0.376 -3.767 1.00 1.08 O ATOM 0 H TYR A 15 12.296 -5.468 1.985 1.00 0.81 H new ATOM 0 HA TYR A 15 11.655 -2.669 1.386 1.00 0.73 H new ATOM 0 HB2 TYR A 15 14.135 -2.833 1.386 1.00 0.84 H new ATOM 0 HB3 TYR A 15 14.038 -4.174 0.263 1.00 0.84 H new ATOM 0 HD1 TYR A 15 13.458 -0.529 0.673 1.00 0.83 H new ATOM 0 HD2 TYR A 15 13.658 -3.806 -2.112 1.00 0.92 H new ATOM 0 HE1 TYR A 15 13.184 1.060 -1.218 1.00 0.89 H new ATOM 0 HE2 TYR A 15 13.299 -2.225 -3.994 1.00 0.98 H new ATOM 0 HH TYR A 15 12.980 -0.126 -4.609 1.00 1.08 H new ATOM 234 N PHE A 16 9.995 -4.017 0.021 1.00 0.49 N ATOM 235 CA PHE A 16 9.068 -4.604 -0.941 1.00 0.40 C ATOM 236 C PHE A 16 8.194 -3.495 -1.537 1.00 0.37 C ATOM 237 O PHE A 16 7.325 -2.986 -0.834 1.00 0.36 O ATOM 238 CB PHE A 16 8.212 -5.665 -0.238 1.00 0.42 C ATOM 239 CG PHE A 16 9.008 -6.816 0.347 1.00 0.50 C ATOM 240 CD1 PHE A 16 9.572 -6.706 1.632 1.00 0.69 C ATOM 241 CD2 PHE A 16 9.250 -7.969 -0.423 1.00 0.62 C ATOM 242 CE1 PHE A 16 10.353 -7.751 2.154 1.00 0.84 C ATOM 243 CE2 PHE A 16 10.029 -9.015 0.100 1.00 0.78 C ATOM 244 CZ PHE A 16 10.576 -8.909 1.391 1.00 0.84 C ATOM 0 H PHE A 16 9.550 -3.379 0.680 1.00 0.49 H new ATOM 0 HA PHE A 16 9.616 -5.086 -1.751 1.00 0.40 H new ATOM 0 HB2 PHE A 16 7.644 -5.187 0.560 1.00 0.42 H new ATOM 0 HB3 PHE A 16 7.489 -6.063 -0.950 1.00 0.42 H new ATOM 0 HD1 PHE A 16 9.404 -5.815 2.219 1.00 0.69 H new ATOM 0 HD2 PHE A 16 8.836 -8.050 -1.417 1.00 0.62 H new ATOM 0 HE1 PHE A 16 10.782 -7.664 3.141 1.00 0.84 H new ATOM 0 HE2 PHE A 16 10.208 -9.902 -0.490 1.00 0.78 H new ATOM 0 HZ PHE A 16 11.167 -9.717 1.796 1.00 0.84 H new ATOM 254 N PRO A 17 8.385 -3.083 -2.800 1.00 0.47 N ATOM 255 CA PRO A 17 7.602 -2.001 -3.376 1.00 0.48 C ATOM 256 C PRO A 17 6.140 -2.435 -3.542 1.00 0.49 C ATOM 257 O PRO A 17 5.855 -3.392 -4.268 1.00 0.66 O ATOM 258 CB PRO A 17 8.277 -1.668 -4.709 1.00 0.62 C ATOM 259 CG PRO A 17 8.971 -2.973 -5.100 1.00 0.72 C ATOM 260 CD PRO A 17 9.357 -3.591 -3.755 1.00 0.62 C ATOM 0 HA PRO A 17 7.573 -1.117 -2.739 1.00 0.48 H new ATOM 0 HB2 PRO A 17 7.550 -1.361 -5.460 1.00 0.62 H new ATOM 0 HB3 PRO A 17 8.991 -0.851 -4.603 1.00 0.62 H new ATOM 0 HG2 PRO A 17 8.307 -3.626 -5.666 1.00 0.72 H new ATOM 0 HG3 PRO A 17 9.846 -2.791 -5.724 1.00 0.72 H new ATOM 0 HD2 PRO A 17 9.330 -4.680 -3.801 1.00 0.62 H new ATOM 0 HD3 PRO A 17 10.371 -3.309 -3.470 1.00 0.62 H new ATOM 268 N ARG A 18 5.224 -1.747 -2.851 1.00 0.41 N ATOM 269 CA ARG A 18 3.774 -1.865 -2.959 1.00 0.49 C ATOM 270 C ARG A 18 3.190 -0.519 -3.369 1.00 0.39 C ATOM 271 O ARG A 18 3.900 0.476 -3.488 1.00 0.30 O ATOM 272 CB ARG A 18 3.155 -2.298 -1.618 1.00 0.60 C ATOM 273 CG ARG A 18 3.429 -3.754 -1.247 1.00 0.77 C ATOM 274 CD ARG A 18 2.890 -4.691 -2.329 1.00 0.60 C ATOM 275 NE ARG A 18 3.948 -4.982 -3.293 1.00 1.42 N ATOM 276 CZ ARG A 18 4.225 -6.087 -3.983 1.00 1.92 C ATOM 277 NH1 ARG A 18 3.500 -7.194 -3.817 1.00 2.35 N ATOM 278 NH2 ARG A 18 5.220 -6.000 -4.864 1.00 3.22 N ATOM 0 H ARG A 18 5.498 -1.050 -2.159 1.00 0.41 H new ATOM 0 HA ARG A 18 3.543 -2.622 -3.708 1.00 0.49 H new ATOM 0 HB2 ARG A 18 3.540 -1.654 -0.827 1.00 0.60 H new ATOM 0 HB3 ARG A 18 2.077 -2.141 -1.660 1.00 0.60 H new ATOM 0 HG2 ARG A 18 4.501 -3.909 -1.124 1.00 0.77 H new ATOM 0 HG3 ARG A 18 2.961 -3.986 -0.290 1.00 0.77 H new ATOM 0 HD2 ARG A 18 2.530 -5.616 -1.878 1.00 0.60 H new ATOM 0 HD3 ARG A 18 2.040 -4.231 -2.833 1.00 0.60 H new ATOM 0 HE ARG A 18 4.585 -4.205 -3.468 1.00 1.42 H new ATOM 0 HH11 ARG A 18 2.723 -7.201 -3.156 1.00 2.35 H new ATOM 0 HH12 ARG A 18 3.722 -8.034 -4.351 1.00 2.35 H new ATOM 0 HH21 ARG A 18 5.723 -5.120 -4.980 1.00 3.22 H new ATOM 0 HH22 ARG A 18 5.479 -6.813 -5.423 1.00 3.22 H new ATOM 292 N PHE A 19 1.875 -0.515 -3.563 1.00 0.47 N ATOM 293 CA PHE A 19 1.045 0.635 -3.846 1.00 0.41 C ATOM 294 C PHE A 19 -0.037 0.691 -2.784 1.00 0.44 C ATOM 295 O PHE A 19 -0.574 -0.347 -2.401 1.00 0.51 O ATOM 296 CB PHE A 19 0.407 0.507 -5.233 1.00 0.36 C ATOM 297 CG PHE A 19 1.306 0.954 -6.365 1.00 0.32 C ATOM 298 CD1 PHE A 19 2.373 0.137 -6.780 1.00 0.42 C ATOM 299 CD2 PHE A 19 1.099 2.201 -6.985 1.00 0.30 C ATOM 300 CE1 PHE A 19 3.202 0.543 -7.838 1.00 0.46 C ATOM 301 CE2 PHE A 19 1.933 2.611 -8.038 1.00 0.35 C ATOM 302 CZ PHE A 19 2.977 1.776 -8.474 1.00 0.42 C ATOM 0 H PHE A 19 1.331 -1.377 -3.522 1.00 0.47 H new ATOM 0 HA PHE A 19 1.645 1.545 -3.836 1.00 0.41 H new ATOM 0 HB2 PHE A 19 0.123 -0.532 -5.397 1.00 0.36 H new ATOM 0 HB3 PHE A 19 -0.510 1.096 -5.256 1.00 0.36 H new ATOM 0 HD1 PHE A 19 2.555 -0.805 -6.284 1.00 0.42 H new ATOM 0 HD2 PHE A 19 0.298 2.843 -6.650 1.00 0.30 H new ATOM 0 HE1 PHE A 19 4.013 -0.092 -8.163 1.00 0.46 H new ATOM 0 HE2 PHE A 19 1.772 3.568 -8.513 1.00 0.35 H new ATOM 0 HZ PHE A 19 3.606 2.082 -9.297 1.00 0.42 H new ATOM 312 N TYR A 20 -0.365 1.896 -2.326 1.00 0.44 N ATOM 313 CA TYR A 20 -1.517 2.148 -1.483 1.00 0.49 C ATOM 314 C TYR A 20 -2.357 3.180 -2.224 1.00 0.41 C ATOM 315 O TYR A 20 -1.825 3.995 -2.981 1.00 0.38 O ATOM 316 CB TYR A 20 -1.100 2.634 -0.080 1.00 0.60 C ATOM 317 CG TYR A 20 -0.532 4.040 0.013 1.00 0.59 C ATOM 318 CD1 TYR A 20 0.586 4.392 -0.756 1.00 0.62 C ATOM 319 CD2 TYR A 20 -1.094 4.994 0.885 1.00 0.65 C ATOM 320 CE1 TYR A 20 0.991 5.728 -0.837 1.00 0.83 C ATOM 321 CE2 TYR A 20 -0.554 6.294 0.943 1.00 0.72 C ATOM 322 CZ TYR A 20 0.439 6.681 0.028 1.00 0.85 C ATOM 323 OH TYR A 20 1.035 7.903 0.105 1.00 1.03 O ATOM 0 H TYR A 20 0.175 2.735 -2.537 1.00 0.44 H new ATOM 0 HA TYR A 20 -2.089 1.237 -1.307 1.00 0.49 H new ATOM 0 HB2 TYR A 20 -1.970 2.574 0.574 1.00 0.60 H new ATOM 0 HB3 TYR A 20 -0.357 1.940 0.314 1.00 0.60 H new ATOM 0 HD1 TYR A 20 1.136 3.629 -1.287 1.00 0.62 H new ATOM 0 HD2 TYR A 20 -1.936 4.729 1.507 1.00 0.65 H new ATOM 0 HE1 TYR A 20 1.730 6.025 -1.567 1.00 0.83 H new ATOM 0 HE2 TYR A 20 -0.903 6.992 1.690 1.00 0.72 H new ATOM 0 HH TYR A 20 0.377 8.601 -0.097 1.00 1.03 H new ATOM 333 N PHE A 21 -3.666 3.142 -2.012 1.00 0.42 N ATOM 334 CA PHE A 21 -4.517 4.278 -2.276 1.00 0.41 C ATOM 335 C PHE A 21 -4.134 5.321 -1.233 1.00 0.45 C ATOM 336 O PHE A 21 -4.437 5.148 -0.054 1.00 0.49 O ATOM 337 CB PHE A 21 -5.981 3.846 -2.156 1.00 0.42 C ATOM 338 CG PHE A 21 -7.002 4.907 -2.524 1.00 0.46 C ATOM 339 CD1 PHE A 21 -7.331 5.907 -1.589 1.00 0.73 C ATOM 340 CD2 PHE A 21 -7.793 4.750 -3.678 1.00 1.00 C ATOM 341 CE1 PHE A 21 -8.452 6.727 -1.792 1.00 0.72 C ATOM 342 CE2 PHE A 21 -8.914 5.577 -3.882 1.00 1.44 C ATOM 343 CZ PHE A 21 -9.234 6.575 -2.947 1.00 1.08 C ATOM 0 H PHE A 21 -4.159 2.324 -1.654 1.00 0.42 H new ATOM 0 HA PHE A 21 -4.395 4.686 -3.279 1.00 0.41 H new ATOM 0 HB2 PHE A 21 -6.139 2.976 -2.793 1.00 0.42 H new ATOM 0 HB3 PHE A 21 -6.166 3.527 -1.130 1.00 0.42 H new ATOM 0 HD1 PHE A 21 -6.717 6.044 -0.711 1.00 0.73 H new ATOM 0 HD2 PHE A 21 -7.540 3.995 -4.407 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -8.713 7.476 -1.059 1.00 0.72 H new ATOM 0 HE2 PHE A 21 -9.529 5.444 -4.760 1.00 1.44 H new ATOM 0 HZ PHE A 21 -10.080 7.224 -3.117 1.00 1.08 H new ATOM 353 N ASP A 22 -3.451 6.382 -1.653 1.00 0.50 N ATOM 354 CA ASP A 22 -3.208 7.520 -0.795 1.00 0.58 C ATOM 355 C ASP A 22 -4.531 8.247 -0.642 1.00 0.53 C ATOM 356 O ASP A 22 -5.057 8.779 -1.618 1.00 0.56 O ATOM 357 CB ASP A 22 -2.161 8.449 -1.404 1.00 0.75 C ATOM 358 CG ASP A 22 -1.952 9.628 -0.473 1.00 0.88 C ATOM 359 OD1 ASP A 22 -2.817 10.533 -0.521 1.00 2.23 O ATOM 360 OD2 ASP A 22 -0.959 9.580 0.283 1.00 1.18 O ATOM 0 H ASP A 22 -3.057 6.470 -2.590 1.00 0.50 H new ATOM 0 HA ASP A 22 -2.824 7.194 0.172 1.00 0.58 H new ATOM 0 HB2 ASP A 22 -1.223 7.914 -1.552 1.00 0.75 H new ATOM 0 HB3 ASP A 22 -2.489 8.796 -2.384 1.00 0.75 H new ATOM 365 N SER A 23 -5.091 8.218 0.565 1.00 0.62 N ATOM 366 CA SER A 23 -6.430 8.715 0.818 1.00 0.70 C ATOM 367 C SER A 23 -6.459 10.205 1.150 1.00 0.98 C ATOM 368 O SER A 23 -7.548 10.721 1.394 1.00 1.24 O ATOM 369 CB SER A 23 -7.086 7.872 1.916 1.00 0.79 C ATOM 370 OG SER A 23 -8.473 8.149 1.989 1.00 1.00 O ATOM 0 H SER A 23 -4.624 7.848 1.393 1.00 0.62 H new ATOM 0 HA SER A 23 -7.006 8.615 -0.102 1.00 0.70 H new ATOM 0 HB2 SER A 23 -6.931 6.813 1.712 1.00 0.79 H new ATOM 0 HB3 SER A 23 -6.615 8.084 2.876 1.00 0.79 H new ATOM 0 HG SER A 23 -8.626 9.101 1.816 1.00 1.00 H new ATOM 376 N GLU A 24 -5.311 10.889 1.146 1.00 1.15 N ATOM 377 CA GLU A 24 -5.258 12.326 1.296 1.00 1.57 C ATOM 378 C GLU A 24 -5.466 12.925 -0.095 1.00 1.58 C ATOM 379 O GLU A 24 -6.311 13.792 -0.306 1.00 1.92 O ATOM 380 CB GLU A 24 -3.880 12.688 1.863 1.00 1.84 C ATOM 381 CG GLU A 24 -3.734 12.285 3.338 1.00 2.08 C ATOM 382 CD GLU A 24 -4.699 13.028 4.252 1.00 4.19 C ATOM 383 OE1 GLU A 24 -4.733 14.272 4.144 1.00 5.72 O ATOM 384 OE2 GLU A 24 -5.378 12.337 5.042 1.00 5.04 O ATOM 0 H GLU A 24 -4.396 10.451 1.038 1.00 1.15 H new ATOM 0 HA GLU A 24 -6.021 12.711 1.973 1.00 1.57 H new ATOM 0 HB2 GLU A 24 -3.106 12.194 1.275 1.00 1.84 H new ATOM 0 HB3 GLU A 24 -3.719 13.762 1.764 1.00 1.84 H new ATOM 0 HG2 GLU A 24 -3.902 11.212 3.435 1.00 2.08 H new ATOM 0 HG3 GLU A 24 -2.712 12.478 3.663 1.00 2.08 H new ATOM 391 N THR A 25 -4.697 12.425 -1.063 1.00 1.24 N ATOM 392 CA THR A 25 -4.773 12.841 -2.455 1.00 1.19 C ATOM 393 C THR A 25 -5.888 12.099 -3.199 1.00 1.08 C ATOM 394 O THR A 25 -6.382 12.586 -4.216 1.00 1.23 O ATOM 395 CB THR A 25 -3.417 12.597 -3.125 1.00 1.08 C ATOM 396 OG1 THR A 25 -3.089 11.228 -3.081 1.00 0.87 O ATOM 397 CG2 THR A 25 -2.296 13.407 -2.467 1.00 1.31 C ATOM 0 H THR A 25 -3.993 11.707 -0.894 1.00 1.24 H new ATOM 0 HA THR A 25 -5.013 13.904 -2.494 1.00 1.19 H new ATOM 0 HB THR A 25 -3.509 12.924 -4.161 1.00 1.08 H new ATOM 0 HG1 THR A 25 -3.306 10.868 -2.196 1.00 0.87 H new ATOM 0 HG21 THR A 25 -1.353 13.203 -2.974 1.00 1.31 H new ATOM 0 HG22 THR A 25 -2.524 14.470 -2.540 1.00 1.31 H new ATOM 0 HG23 THR A 25 -2.212 13.125 -1.417 1.00 1.31 H new ATOM 405 N GLY A 26 -6.241 10.898 -2.736 1.00 0.89 N ATOM 406 CA GLY A 26 -7.168 9.993 -3.395 1.00 0.84 C ATOM 407 C GLY A 26 -6.501 9.283 -4.574 1.00 0.70 C ATOM 408 O GLY A 26 -7.169 8.963 -5.560 1.00 1.05 O ATOM 0 H GLY A 26 -5.874 10.522 -1.862 1.00 0.89 H new ATOM 0 HA2 GLY A 26 -7.530 9.255 -2.680 1.00 0.84 H new ATOM 0 HA3 GLY A 26 -8.037 10.550 -3.746 1.00 0.84 H new ATOM 412 N LYS A 27 -5.192 9.024 -4.511 1.00 0.45 N ATOM 413 CA LYS A 27 -4.399 8.563 -5.651 1.00 0.44 C ATOM 414 C LYS A 27 -3.688 7.253 -5.315 1.00 0.29 C ATOM 415 O LYS A 27 -3.047 7.143 -4.278 1.00 0.48 O ATOM 416 CB LYS A 27 -3.385 9.645 -6.050 1.00 0.70 C ATOM 417 CG LYS A 27 -4.088 10.943 -6.470 1.00 1.22 C ATOM 418 CD LYS A 27 -3.065 12.003 -6.899 1.00 1.81 C ATOM 419 CE LYS A 27 -3.777 13.338 -7.170 1.00 3.16 C ATOM 420 NZ LYS A 27 -2.828 14.421 -7.506 1.00 4.64 N ATOM 0 H LYS A 27 -4.647 9.130 -3.655 1.00 0.45 H new ATOM 0 HA LYS A 27 -5.065 8.378 -6.494 1.00 0.44 H new ATOM 0 HB2 LYS A 27 -2.717 9.846 -5.213 1.00 0.70 H new ATOM 0 HB3 LYS A 27 -2.767 9.282 -6.871 1.00 0.70 H new ATOM 0 HG2 LYS A 27 -4.775 10.740 -7.292 1.00 1.22 H new ATOM 0 HG3 LYS A 27 -4.686 11.323 -5.641 1.00 1.22 H new ATOM 0 HD2 LYS A 27 -2.314 12.133 -6.119 1.00 1.81 H new ATOM 0 HD3 LYS A 27 -2.540 11.672 -7.795 1.00 1.81 H new ATOM 0 HE2 LYS A 27 -4.484 13.210 -7.989 1.00 3.16 H new ATOM 0 HE3 LYS A 27 -4.355 13.624 -6.291 1.00 3.16 H new ATOM 0 HZ1 LYS A 27 -3.354 15.301 -7.680 1.00 4.64 H new ATOM 0 HZ2 LYS A 27 -2.168 14.563 -6.714 1.00 4.64 H new ATOM 0 HZ3 LYS A 27 -2.294 14.162 -8.360 1.00 4.64 H new ATOM 434 N CYS A 28 -3.774 6.250 -6.193 1.00 0.28 N ATOM 435 CA CYS A 28 -2.932 5.066 -6.071 1.00 0.27 C ATOM 436 C CYS A 28 -1.481 5.520 -6.211 1.00 0.32 C ATOM 437 O CYS A 28 -1.171 6.299 -7.111 1.00 0.48 O ATOM 438 CB CYS A 28 -3.306 4.038 -7.139 1.00 0.33 C ATOM 439 SG CYS A 28 -4.906 3.220 -6.901 1.00 0.38 S ATOM 0 H CYS A 28 -4.413 6.237 -6.988 1.00 0.28 H new ATOM 0 HA CYS A 28 -3.074 4.583 -5.104 1.00 0.27 H new ATOM 0 HB2 CYS A 28 -3.311 4.533 -8.110 1.00 0.33 H new ATOM 0 HB3 CYS A 28 -2.528 3.275 -7.174 1.00 0.33 H new ATOM 444 N THR A 29 -0.605 5.138 -5.283 1.00 0.29 N ATOM 445 CA THR A 29 0.719 5.736 -5.129 1.00 0.36 C ATOM 446 C THR A 29 1.620 4.712 -4.429 1.00 0.33 C ATOM 447 O THR A 29 1.102 3.891 -3.676 1.00 0.37 O ATOM 448 CB THR A 29 0.532 7.037 -4.323 1.00 0.62 C ATOM 449 OG1 THR A 29 -0.072 8.018 -5.146 1.00 0.95 O ATOM 450 CG2 THR A 29 1.810 7.670 -3.768 1.00 0.54 C ATOM 0 H THR A 29 -0.797 4.396 -4.610 1.00 0.29 H new ATOM 0 HA THR A 29 1.196 5.989 -6.076 1.00 0.36 H new ATOM 0 HB THR A 29 -0.077 6.735 -3.471 1.00 0.62 H new ATOM 0 HG1 THR A 29 -1.047 7.950 -5.074 1.00 0.95 H new ATOM 0 HG21 THR A 29 1.558 8.578 -3.220 1.00 0.54 H new ATOM 0 HG22 THR A 29 2.303 6.966 -3.097 1.00 0.54 H new ATOM 0 HG23 THR A 29 2.481 7.917 -4.591 1.00 0.54 H new ATOM 458 N PRO A 30 2.938 4.701 -4.688 1.00 0.34 N ATOM 459 CA PRO A 30 3.846 3.693 -4.154 1.00 0.38 C ATOM 460 C PRO A 30 4.167 3.851 -2.657 1.00 0.43 C ATOM 461 O PRO A 30 4.086 4.939 -2.072 1.00 0.54 O ATOM 462 CB PRO A 30 5.111 3.781 -5.013 1.00 0.42 C ATOM 463 CG PRO A 30 5.096 5.225 -5.511 1.00 0.40 C ATOM 464 CD PRO A 30 3.609 5.488 -5.709 1.00 0.32 C ATOM 0 HA PRO A 30 3.372 2.713 -4.206 1.00 0.38 H new ATOM 0 HB2 PRO A 30 6.008 3.565 -4.432 1.00 0.42 H new ATOM 0 HB3 PRO A 30 5.087 3.070 -5.839 1.00 0.42 H new ATOM 0 HG2 PRO A 30 5.536 5.909 -4.786 1.00 0.40 H new ATOM 0 HG3 PRO A 30 5.656 5.340 -6.439 1.00 0.40 H new ATOM 0 HD2 PRO A 30 3.380 6.548 -5.601 1.00 0.32 H new ATOM 0 HD3 PRO A 30 3.287 5.192 -6.708 1.00 0.32 H new ATOM 472 N PHE A 31 4.591 2.748 -2.036 1.00 0.37 N ATOM 473 CA PHE A 31 5.190 2.708 -0.711 1.00 0.38 C ATOM 474 C PHE A 31 6.094 1.479 -0.614 1.00 0.33 C ATOM 475 O PHE A 31 6.001 0.574 -1.441 1.00 0.31 O ATOM 476 CB PHE A 31 4.104 2.698 0.370 1.00 0.42 C ATOM 477 CG PHE A 31 3.447 1.361 0.636 1.00 0.39 C ATOM 478 CD1 PHE A 31 2.315 0.984 -0.103 1.00 0.50 C ATOM 479 CD2 PHE A 31 3.859 0.575 1.730 1.00 0.54 C ATOM 480 CE1 PHE A 31 1.504 -0.070 0.347 1.00 0.60 C ATOM 481 CE2 PHE A 31 3.108 -0.550 2.105 1.00 0.57 C ATOM 482 CZ PHE A 31 1.893 -0.828 1.463 1.00 0.49 C ATOM 0 H PHE A 31 4.521 1.825 -2.464 1.00 0.37 H new ATOM 0 HA PHE A 31 5.794 3.601 -0.549 1.00 0.38 H new ATOM 0 HB2 PHE A 31 4.542 3.057 1.301 1.00 0.42 H new ATOM 0 HB3 PHE A 31 3.330 3.411 0.086 1.00 0.42 H new ATOM 0 HD1 PHE A 31 2.068 1.504 -1.017 1.00 0.50 H new ATOM 0 HD2 PHE A 31 4.751 0.838 2.279 1.00 0.54 H new ATOM 0 HE1 PHE A 31 0.581 -0.298 -0.165 1.00 0.60 H new ATOM 0 HE2 PHE A 31 3.466 -1.202 2.888 1.00 0.57 H new ATOM 0 HZ PHE A 31 1.258 -1.623 1.826 1.00 0.49 H new ATOM 492 N ILE A 32 6.966 1.448 0.393 1.00 0.38 N ATOM 493 CA ILE A 32 7.828 0.309 0.662 1.00 0.36 C ATOM 494 C ILE A 32 7.181 -0.505 1.781 1.00 0.36 C ATOM 495 O ILE A 32 7.208 -0.096 2.939 1.00 0.54 O ATOM 496 CB ILE A 32 9.242 0.796 1.023 1.00 0.43 C ATOM 497 CG1 ILE A 32 9.849 1.707 -0.063 1.00 0.89 C ATOM 498 CG2 ILE A 32 10.165 -0.398 1.296 1.00 0.69 C ATOM 499 CD1 ILE A 32 9.862 1.103 -1.473 1.00 0.86 C ATOM 0 H ILE A 32 7.091 2.221 1.047 1.00 0.38 H new ATOM 0 HA ILE A 32 7.937 -0.328 -0.216 1.00 0.36 H new ATOM 0 HB ILE A 32 9.151 1.396 1.928 1.00 0.43 H new ATOM 0 HG12 ILE A 32 9.289 2.642 -0.088 1.00 0.89 H new ATOM 0 HG13 ILE A 32 10.872 1.955 0.220 1.00 0.89 H new ATOM 0 HG21 ILE A 32 11.162 -0.037 1.550 1.00 0.69 H new ATOM 0 HG22 ILE A 32 9.768 -0.982 2.126 1.00 0.69 H new ATOM 0 HG23 ILE A 32 10.222 -1.025 0.406 1.00 0.69 H new ATOM 0 HD11 ILE A 32 10.306 1.814 -2.169 1.00 0.86 H new ATOM 0 HD12 ILE A 32 10.448 0.184 -1.470 1.00 0.86 H new ATOM 0 HD13 ILE A 32 8.841 0.881 -1.783 1.00 0.86 H new ATOM 511 N TYR A 33 6.583 -1.643 1.435 1.00 0.36 N ATOM 512 CA TYR A 33 6.138 -2.642 2.391 1.00 0.44 C ATOM 513 C TYR A 33 7.367 -3.367 2.943 1.00 0.81 C ATOM 514 O TYR A 33 8.393 -3.455 2.265 1.00 2.25 O ATOM 515 CB TYR A 33 5.184 -3.607 1.675 1.00 0.42 C ATOM 516 CG TYR A 33 4.731 -4.819 2.463 1.00 0.59 C ATOM 517 CD1 TYR A 33 4.070 -4.644 3.689 1.00 0.75 C ATOM 518 CD2 TYR A 33 4.931 -6.118 1.956 1.00 0.74 C ATOM 519 CE1 TYR A 33 3.632 -5.764 4.414 1.00 0.98 C ATOM 520 CE2 TYR A 33 4.508 -7.236 2.695 1.00 1.01 C ATOM 521 CZ TYR A 33 3.858 -7.058 3.927 1.00 1.10 C ATOM 522 OH TYR A 33 3.516 -8.127 4.700 1.00 1.41 O ATOM 0 H TYR A 33 6.393 -1.896 0.465 1.00 0.36 H new ATOM 0 HA TYR A 33 5.605 -2.188 3.226 1.00 0.44 H new ATOM 0 HB2 TYR A 33 4.299 -3.048 1.370 1.00 0.42 H new ATOM 0 HB3 TYR A 33 5.671 -3.955 0.764 1.00 0.42 H new ATOM 0 HD1 TYR A 33 3.899 -3.650 4.074 1.00 0.75 H new ATOM 0 HD2 TYR A 33 5.410 -6.255 0.998 1.00 0.74 H new ATOM 0 HE1 TYR A 33 3.117 -5.627 5.354 1.00 0.98 H new ATOM 0 HE2 TYR A 33 4.683 -8.232 2.315 1.00 1.01 H new ATOM 0 HH TYR A 33 4.124 -8.873 4.515 1.00 1.41 H new ATOM 532 N GLY A 34 7.258 -3.884 4.169 1.00 0.79 N ATOM 533 CA GLY A 34 8.378 -4.467 4.891 1.00 0.70 C ATOM 534 C GLY A 34 8.357 -5.990 4.961 1.00 0.75 C ATOM 535 O GLY A 34 9.106 -6.579 5.733 1.00 1.18 O ATOM 0 H GLY A 34 6.380 -3.907 4.688 1.00 0.79 H new ATOM 0 HA2 GLY A 34 9.306 -4.150 4.415 1.00 0.70 H new ATOM 0 HA3 GLY A 34 8.388 -4.069 5.906 1.00 0.70 H new ATOM 539 N GLY A 35 7.519 -6.655 4.165 1.00 0.82 N ATOM 540 CA GLY A 35 7.540 -8.106 4.027 1.00 1.05 C ATOM 541 C GLY A 35 6.588 -8.761 5.019 1.00 1.13 C ATOM 542 O GLY A 35 5.759 -9.581 4.627 1.00 1.49 O ATOM 0 H GLY A 35 6.805 -6.198 3.597 1.00 0.82 H new ATOM 0 HA2 GLY A 35 7.259 -8.383 3.011 1.00 1.05 H new ATOM 0 HA3 GLY A 35 8.552 -8.476 4.190 1.00 1.05 H new ATOM 546 N CYS A 36 6.674 -8.361 6.292 1.00 1.27 N ATOM 547 CA CYS A 36 5.762 -8.804 7.345 1.00 1.33 C ATOM 548 C CYS A 36 5.227 -7.628 8.167 1.00 1.53 C ATOM 549 O CYS A 36 5.983 -6.784 8.651 1.00 2.65 O ATOM 550 CB CYS A 36 6.344 -9.930 8.217 1.00 2.24 C ATOM 551 SG CYS A 36 7.224 -9.472 9.733 1.00 2.20 S ATOM 0 H CYS A 36 7.389 -7.712 6.621 1.00 1.27 H new ATOM 0 HA CYS A 36 4.904 -9.250 6.841 1.00 1.33 H new ATOM 0 HB2 CYS A 36 5.525 -10.593 8.495 1.00 2.24 H new ATOM 0 HB3 CYS A 36 7.028 -10.511 7.598 1.00 2.24 H new ATOM 556 N GLY A 37 3.898 -7.577 8.291 1.00 1.29 N ATOM 557 CA GLY A 37 3.120 -6.479 8.855 1.00 1.56 C ATOM 558 C GLY A 37 2.144 -5.978 7.791 1.00 1.43 C ATOM 559 O GLY A 37 2.124 -4.798 7.430 1.00 2.46 O ATOM 0 H GLY A 37 3.305 -8.347 7.981 1.00 1.29 H new ATOM 0 HA2 GLY A 37 2.577 -6.814 9.739 1.00 1.56 H new ATOM 0 HA3 GLY A 37 3.780 -5.672 9.174 1.00 1.56 H new ATOM 563 N GLY A 38 1.373 -6.907 7.224 1.00 1.46 N ATOM 564 CA GLY A 38 0.450 -6.618 6.144 1.00 1.97 C ATOM 565 C GLY A 38 -0.756 -5.830 6.649 1.00 1.49 C ATOM 566 O GLY A 38 -0.992 -5.731 7.850 1.00 1.61 O ATOM 0 H GLY A 38 1.377 -7.886 7.509 1.00 1.46 H new ATOM 0 HA2 GLY A 38 0.961 -6.049 5.367 1.00 1.97 H new ATOM 0 HA3 GLY A 38 0.115 -7.550 5.689 1.00 1.97 H new ATOM 570 N ASN A 39 -1.496 -5.245 5.711 1.00 1.19 N ATOM 571 CA ASN A 39 -2.783 -4.601 5.927 1.00 0.76 C ATOM 572 C ASN A 39 -3.496 -4.612 4.579 1.00 0.62 C ATOM 573 O ASN A 39 -2.999 -5.250 3.650 1.00 0.86 O ATOM 574 CB ASN A 39 -2.660 -3.202 6.549 1.00 0.88 C ATOM 575 CG ASN A 39 -1.986 -2.151 5.664 1.00 1.03 C ATOM 576 OD1 ASN A 39 -1.175 -2.490 4.806 1.00 1.55 O ATOM 577 ND2 ASN A 39 -2.227 -0.871 5.928 1.00 0.85 N ATOM 0 H ASN A 39 -1.199 -5.207 4.736 1.00 1.19 H new ATOM 0 HA ASN A 39 -3.369 -5.145 6.667 1.00 0.76 H new ATOM 0 HB2 ASN A 39 -3.658 -2.849 6.809 1.00 0.88 H new ATOM 0 HB3 ASN A 39 -2.098 -3.284 7.480 1.00 0.88 H new ATOM 0 HD21 ASN A 39 -1.733 -0.142 5.413 1.00 0.85 H new ATOM 0 HD22 ASN A 39 -2.906 -0.617 6.646 1.00 0.85 H new ATOM 584 N GLY A 40 -4.649 -3.957 4.461 1.00 0.60 N ATOM 585 CA GLY A 40 -5.464 -4.050 3.265 1.00 0.79 C ATOM 586 C GLY A 40 -4.867 -3.190 2.159 1.00 0.58 C ATOM 587 O GLY A 40 -4.736 -3.634 1.020 1.00 0.55 O ATOM 0 H GLY A 40 -5.036 -3.354 5.187 1.00 0.60 H new ATOM 0 HA2 GLY A 40 -5.526 -5.088 2.937 1.00 0.79 H new ATOM 0 HA3 GLY A 40 -6.481 -3.723 3.482 1.00 0.79 H new ATOM 591 N ASN A 41 -4.512 -1.949 2.496 1.00 0.53 N ATOM 592 CA ASN A 41 -4.032 -0.968 1.524 1.00 0.51 C ATOM 593 C ASN A 41 -2.581 -1.263 1.118 1.00 0.48 C ATOM 594 O ASN A 41 -1.665 -0.516 1.455 1.00 0.54 O ATOM 595 CB ASN A 41 -4.214 0.433 2.123 1.00 0.57 C ATOM 596 CG ASN A 41 -4.372 1.538 1.086 1.00 0.67 C ATOM 597 OD1 ASN A 41 -4.465 1.270 -0.108 1.00 1.56 O ATOM 598 ND2 ASN A 41 -4.426 2.796 1.514 1.00 0.74 N ATOM 0 H ASN A 41 -4.550 -1.596 3.452 1.00 0.53 H new ATOM 0 HA ASN A 41 -4.612 -1.026 0.603 1.00 0.51 H new ATOM 0 HB2 ASN A 41 -5.091 0.429 2.770 1.00 0.57 H new ATOM 0 HB3 ASN A 41 -3.354 0.661 2.753 1.00 0.57 H new ATOM 0 HD21 ASN A 41 -4.547 3.557 0.846 1.00 0.74 H new ATOM 0 HD22 ASN A 41 -4.347 3.000 2.510 1.00 0.74 H new ATOM 605 N ASN A 42 -2.364 -2.396 0.443 1.00 0.45 N ATOM 606 CA ASN A 42 -1.064 -3.057 0.337 1.00 0.47 C ATOM 607 C ASN A 42 -0.978 -3.826 -0.983 1.00 0.50 C ATOM 608 O ASN A 42 -0.918 -5.055 -0.996 1.00 0.81 O ATOM 609 CB ASN A 42 -0.887 -3.968 1.565 1.00 0.57 C ATOM 610 CG ASN A 42 0.547 -4.448 1.782 1.00 0.87 C ATOM 611 OD1 ASN A 42 1.184 -4.087 2.774 1.00 2.10 O ATOM 612 ND2 ASN A 42 1.070 -5.275 0.884 1.00 1.07 N ATOM 0 H ASN A 42 -3.105 -2.888 -0.055 1.00 0.45 H new ATOM 0 HA ASN A 42 -0.252 -2.330 0.328 1.00 0.47 H new ATOM 0 HB2 ASN A 42 -1.218 -3.431 2.454 1.00 0.57 H new ATOM 0 HB3 ASN A 42 -1.537 -4.836 1.457 1.00 0.57 H new ATOM 0 HD21 ASN A 42 2.020 -5.627 1.007 1.00 1.07 H new ATOM 0 HD22 ASN A 42 0.522 -5.559 0.072 1.00 1.07 H new ATOM 619 N PHE A 43 -0.981 -3.098 -2.100 1.00 0.43 N ATOM 620 CA PHE A 43 -1.304 -3.636 -3.416 1.00 0.45 C ATOM 621 C PHE A 43 -0.061 -3.724 -4.289 1.00 0.42 C ATOM 622 O PHE A 43 0.765 -2.826 -4.250 1.00 0.45 O ATOM 623 CB PHE A 43 -2.326 -2.707 -4.071 1.00 0.48 C ATOM 624 CG PHE A 43 -3.622 -2.579 -3.295 1.00 0.55 C ATOM 625 CD1 PHE A 43 -4.400 -3.724 -3.041 1.00 0.69 C ATOM 626 CD2 PHE A 43 -4.010 -1.339 -2.751 1.00 0.51 C ATOM 627 CE1 PHE A 43 -5.553 -3.630 -2.246 1.00 0.75 C ATOM 628 CE2 PHE A 43 -5.223 -1.230 -2.050 1.00 0.56 C ATOM 629 CZ PHE A 43 -5.975 -2.381 -1.764 1.00 0.67 C ATOM 0 H PHE A 43 -0.755 -2.103 -2.113 1.00 0.43 H new ATOM 0 HA PHE A 43 -1.709 -4.642 -3.307 1.00 0.45 H new ATOM 0 HB2 PHE A 43 -1.883 -1.718 -4.186 1.00 0.48 H new ATOM 0 HB3 PHE A 43 -2.548 -3.075 -5.073 1.00 0.48 H new ATOM 0 HD1 PHE A 43 -4.109 -4.677 -3.459 1.00 0.69 H new ATOM 0 HD2 PHE A 43 -3.376 -0.473 -2.873 1.00 0.51 H new ATOM 0 HE1 PHE A 43 -6.116 -4.520 -2.005 1.00 0.75 H new ATOM 0 HE2 PHE A 43 -5.577 -0.261 -1.731 1.00 0.56 H new ATOM 0 HZ PHE A 43 -6.877 -2.305 -1.174 1.00 0.67 H new ATOM 639 N GLU A 44 0.099 -4.777 -5.090 1.00 0.45 N ATOM 640 CA GLU A 44 1.296 -4.969 -5.899 1.00 0.43 C ATOM 641 C GLU A 44 1.524 -3.767 -6.825 1.00 0.44 C ATOM 642 O GLU A 44 2.656 -3.316 -6.983 1.00 0.55 O ATOM 643 CB GLU A 44 1.150 -6.295 -6.662 1.00 0.49 C ATOM 644 CG GLU A 44 2.319 -6.716 -7.579 1.00 0.80 C ATOM 645 CD GLU A 44 3.390 -7.538 -6.880 1.00 1.29 C ATOM 646 OE1 GLU A 44 3.025 -8.410 -6.064 1.00 1.95 O ATOM 647 OE2 GLU A 44 4.583 -7.220 -7.066 1.00 2.52 O ATOM 0 H GLU A 44 -0.596 -5.516 -5.194 1.00 0.45 H new ATOM 0 HA GLU A 44 2.183 -5.029 -5.269 1.00 0.43 H new ATOM 0 HB2 GLU A 44 0.991 -7.089 -5.932 1.00 0.49 H new ATOM 0 HB3 GLU A 44 0.248 -6.236 -7.271 1.00 0.49 H new ATOM 0 HG2 GLU A 44 1.922 -7.292 -8.415 1.00 0.80 H new ATOM 0 HG3 GLU A 44 2.779 -5.821 -7.998 1.00 0.80 H new ATOM 654 N THR A 45 0.450 -3.256 -7.441 1.00 0.39 N ATOM 655 CA THR A 45 0.527 -2.274 -8.514 1.00 0.40 C ATOM 656 C THR A 45 -0.550 -1.193 -8.365 1.00 0.32 C ATOM 657 O THR A 45 -1.561 -1.402 -7.688 1.00 0.30 O ATOM 658 CB THR A 45 0.348 -3.002 -9.855 1.00 0.48 C ATOM 659 OG1 THR A 45 -0.937 -3.587 -9.910 1.00 0.48 O ATOM 660 CG2 THR A 45 1.382 -4.111 -10.059 1.00 0.55 C ATOM 0 H THR A 45 -0.505 -3.521 -7.200 1.00 0.39 H new ATOM 0 HA THR A 45 1.498 -1.781 -8.471 1.00 0.40 H new ATOM 0 HB THR A 45 0.479 -2.257 -10.640 1.00 0.48 H new ATOM 0 HG1 THR A 45 -0.994 -4.179 -10.689 1.00 0.48 H new ATOM 0 HG21 THR A 45 1.212 -4.594 -11.021 1.00 0.55 H new ATOM 0 HG22 THR A 45 2.384 -3.682 -10.040 1.00 0.55 H new ATOM 0 HG23 THR A 45 1.288 -4.848 -9.261 1.00 0.55 H new ATOM 668 N LEU A 46 -0.373 -0.070 -9.074 1.00 0.30 N ATOM 669 CA LEU A 46 -1.447 0.882 -9.346 1.00 0.27 C ATOM 670 C LEU A 46 -2.634 0.150 -9.957 1.00 0.28 C ATOM 671 O LEU A 46 -3.760 0.358 -9.522 1.00 0.28 O ATOM 672 CB LEU A 46 -0.949 2.037 -10.246 1.00 0.32 C ATOM 673 CG LEU A 46 -1.962 2.610 -11.264 1.00 0.37 C ATOM 674 CD1 LEU A 46 -3.067 3.425 -10.588 1.00 0.40 C ATOM 675 CD2 LEU A 46 -1.256 3.532 -12.262 1.00 0.50 C ATOM 0 H LEU A 46 0.525 0.201 -9.475 1.00 0.30 H new ATOM 0 HA LEU A 46 -1.773 1.335 -8.410 1.00 0.27 H new ATOM 0 HB2 LEU A 46 -0.616 2.851 -9.602 1.00 0.32 H new ATOM 0 HB3 LEU A 46 -0.075 1.688 -10.796 1.00 0.32 H new ATOM 0 HG LEU A 46 -2.405 1.751 -11.768 1.00 0.37 H new ATOM 0 HD11 LEU A 46 -3.753 3.806 -11.345 1.00 0.40 H new ATOM 0 HD12 LEU A 46 -3.613 2.790 -9.890 1.00 0.40 H new ATOM 0 HD13 LEU A 46 -2.623 4.261 -10.047 1.00 0.40 H new ATOM 0 HD21 LEU A 46 -1.984 3.926 -12.971 1.00 0.50 H new ATOM 0 HD22 LEU A 46 -0.787 4.357 -11.726 1.00 0.50 H new ATOM 0 HD23 LEU A 46 -0.493 2.969 -12.800 1.00 0.50 H new ATOM 687 N HIS A 47 -2.388 -0.696 -10.963 1.00 0.32 N ATOM 688 CA HIS A 47 -3.436 -1.488 -11.593 1.00 0.37 C ATOM 689 C HIS A 47 -4.281 -2.184 -10.523 1.00 0.36 C ATOM 690 O HIS A 47 -5.505 -2.110 -10.562 1.00 0.41 O ATOM 691 CB HIS A 47 -2.826 -2.481 -12.593 1.00 0.44 C ATOM 692 CG HIS A 47 -3.722 -3.660 -12.877 1.00 0.57 C ATOM 693 ND1 HIS A 47 -4.900 -3.635 -13.591 1.00 2.11 N ATOM 694 CD2 HIS A 47 -3.630 -4.886 -12.276 1.00 1.41 C ATOM 695 CE1 HIS A 47 -5.489 -4.835 -13.437 1.00 1.77 C ATOM 696 NE2 HIS A 47 -4.754 -5.629 -12.642 1.00 0.81 N ATOM 0 H HIS A 47 -1.460 -0.847 -11.358 1.00 0.32 H new ATOM 0 HA HIS A 47 -4.099 -0.833 -12.157 1.00 0.37 H new ATOM 0 HB2 HIS A 47 -2.612 -1.962 -13.527 1.00 0.44 H new ATOM 0 HB3 HIS A 47 -1.874 -2.841 -12.203 1.00 0.44 H new ATOM 0 HD2 HIS A 47 -2.830 -5.220 -11.632 1.00 1.41 H new ATOM 0 HE1 HIS A 47 -6.426 -5.121 -13.891 1.00 1.77 H new ATOM 0 HE2 HIS A 47 -4.973 -6.585 -12.361 1.00 0.81 H new ATOM 704 N GLN A 48 -3.628 -2.840 -9.564 1.00 0.36 N ATOM 705 CA GLN A 48 -4.313 -3.579 -8.518 1.00 0.42 C ATOM 706 C GLN A 48 -5.048 -2.622 -7.573 1.00 0.40 C ATOM 707 O GLN A 48 -6.240 -2.794 -7.332 1.00 0.49 O ATOM 708 CB GLN A 48 -3.304 -4.489 -7.810 1.00 0.51 C ATOM 709 CG GLN A 48 -3.967 -5.403 -6.777 1.00 1.23 C ATOM 710 CD GLN A 48 -2.966 -6.421 -6.248 1.00 1.39 C ATOM 711 OE1 GLN A 48 -2.315 -6.185 -5.237 1.00 2.25 O ATOM 712 NE2 GLN A 48 -2.800 -7.543 -6.941 1.00 1.53 N ATOM 0 H GLN A 48 -2.611 -2.871 -9.495 1.00 0.36 H new ATOM 0 HA GLN A 48 -5.086 -4.219 -8.944 1.00 0.42 H new ATOM 0 HB2 GLN A 48 -2.786 -5.098 -8.551 1.00 0.51 H new ATOM 0 HB3 GLN A 48 -2.549 -3.876 -7.317 1.00 0.51 H new ATOM 0 HG2 GLN A 48 -4.359 -4.807 -5.953 1.00 1.23 H new ATOM 0 HG3 GLN A 48 -4.815 -5.918 -7.229 1.00 1.23 H new ATOM 0 HE21 GLN A 48 -3.357 -7.712 -7.779 1.00 1.53 H new ATOM 0 HE22 GLN A 48 -2.116 -8.235 -6.635 1.00 1.53 H new ATOM 721 N CYS A 49 -4.356 -1.604 -7.049 1.00 0.33 N ATOM 722 CA CYS A 49 -4.966 -0.601 -6.171 1.00 0.35 C ATOM 723 C CYS A 49 -6.234 -0.016 -6.800 1.00 0.41 C ATOM 724 O CYS A 49 -7.293 0.053 -6.172 1.00 0.54 O ATOM 725 CB CYS A 49 -3.937 0.495 -5.867 1.00 0.33 C ATOM 726 SG CYS A 49 -4.612 2.040 -5.208 1.00 0.42 S ATOM 0 H CYS A 49 -3.362 -1.453 -7.221 1.00 0.33 H new ATOM 0 HA CYS A 49 -5.264 -1.076 -5.236 1.00 0.35 H new ATOM 0 HB2 CYS A 49 -3.214 0.101 -5.153 1.00 0.33 H new ATOM 0 HB3 CYS A 49 -3.391 0.720 -6.783 1.00 0.33 H new ATOM 731 N ARG A 50 -6.117 0.381 -8.067 1.00 0.36 N ATOM 732 CA ARG A 50 -7.219 0.858 -8.876 1.00 0.45 C ATOM 733 C ARG A 50 -8.298 -0.218 -8.935 1.00 0.53 C ATOM 734 O ARG A 50 -9.403 0.030 -8.478 1.00 0.64 O ATOM 735 CB ARG A 50 -6.709 1.268 -10.265 1.00 0.47 C ATOM 736 CG ARG A 50 -7.841 1.819 -11.140 1.00 0.71 C ATOM 737 CD ARG A 50 -7.312 2.403 -12.454 1.00 1.29 C ATOM 738 NE ARG A 50 -6.580 3.664 -12.244 1.00 1.01 N ATOM 739 CZ ARG A 50 -6.042 4.391 -13.238 1.00 1.80 C ATOM 740 NH1 ARG A 50 -6.169 3.980 -14.505 1.00 2.76 N ATOM 741 NH2 ARG A 50 -5.379 5.521 -12.965 1.00 2.20 N ATOM 0 H ARG A 50 -5.227 0.376 -8.564 1.00 0.36 H new ATOM 0 HA ARG A 50 -7.666 1.747 -8.431 1.00 0.45 H new ATOM 0 HB2 ARG A 50 -5.930 2.023 -10.159 1.00 0.47 H new ATOM 0 HB3 ARG A 50 -6.255 0.407 -10.756 1.00 0.47 H new ATOM 0 HG2 ARG A 50 -8.553 1.023 -11.357 1.00 0.71 H new ATOM 0 HG3 ARG A 50 -8.382 2.590 -10.591 1.00 0.71 H new ATOM 0 HD2 ARG A 50 -6.655 1.678 -12.934 1.00 1.29 H new ATOM 0 HD3 ARG A 50 -8.145 2.577 -13.135 1.00 1.29 H new ATOM 0 HE ARG A 50 -6.475 4.005 -11.288 1.00 1.01 H new ATOM 0 HH11 ARG A 50 -6.673 3.118 -14.713 1.00 2.76 H new ATOM 0 HH12 ARG A 50 -5.762 4.529 -15.262 1.00 2.76 H new ATOM 0 HH21 ARG A 50 -5.280 5.834 -11.999 1.00 2.20 H new ATOM 0 HH22 ARG A 50 -4.972 6.069 -13.723 1.00 2.20 H new ATOM 755 N ALA A 51 -7.978 -1.404 -9.456 1.00 0.53 N ATOM 756 CA ALA A 51 -8.928 -2.501 -9.603 1.00 0.65 C ATOM 757 C ALA A 51 -9.733 -2.745 -8.323 1.00 0.62 C ATOM 758 O ALA A 51 -10.943 -2.943 -8.391 1.00 0.69 O ATOM 759 CB ALA A 51 -8.204 -3.775 -10.046 1.00 0.74 C ATOM 0 H ALA A 51 -7.041 -1.629 -9.790 1.00 0.53 H new ATOM 0 HA ALA A 51 -9.642 -2.215 -10.375 1.00 0.65 H new ATOM 0 HB1 ALA A 51 -8.925 -4.585 -10.152 1.00 0.74 H new ATOM 0 HB2 ALA A 51 -7.712 -3.600 -11.003 1.00 0.74 H new ATOM 0 HB3 ALA A 51 -7.458 -4.048 -9.299 1.00 0.74 H new ATOM 765 N ILE A 52 -9.077 -2.731 -7.158 1.00 0.55 N ATOM 766 CA ILE A 52 -9.782 -2.846 -5.889 1.00 0.52 C ATOM 767 C ILE A 52 -10.697 -1.635 -5.682 1.00 0.59 C ATOM 768 O ILE A 52 -11.894 -1.804 -5.461 1.00 0.77 O ATOM 769 CB ILE A 52 -8.803 -3.070 -4.712 1.00 0.62 C ATOM 770 CG1 ILE A 52 -8.456 -4.563 -4.546 1.00 1.12 C ATOM 771 CG2 ILE A 52 -9.404 -2.611 -3.372 1.00 0.94 C ATOM 772 CD1 ILE A 52 -7.492 -5.091 -5.605 1.00 1.36 C ATOM 0 H ILE A 52 -8.064 -2.641 -7.073 1.00 0.55 H new ATOM 0 HA ILE A 52 -10.417 -3.732 -5.919 1.00 0.52 H new ATOM 0 HB ILE A 52 -7.915 -2.486 -4.954 1.00 0.62 H new ATOM 0 HG12 ILE A 52 -8.018 -4.718 -3.560 1.00 1.12 H new ATOM 0 HG13 ILE A 52 -9.376 -5.147 -4.582 1.00 1.12 H new ATOM 0 HG21 ILE A 52 -8.685 -2.786 -2.572 1.00 0.94 H new ATOM 0 HG22 ILE A 52 -9.638 -1.548 -3.424 1.00 0.94 H new ATOM 0 HG23 ILE A 52 -10.315 -3.174 -3.170 1.00 0.94 H new ATOM 0 HD11 ILE A 52 -7.295 -6.147 -5.423 1.00 1.36 H new ATOM 0 HD12 ILE A 52 -7.935 -4.969 -6.593 1.00 1.36 H new ATOM 0 HD13 ILE A 52 -6.557 -4.534 -5.556 1.00 1.36 H new ATOM 784 N CYS A 53 -10.142 -0.418 -5.660 1.00 0.63 N ATOM 785 CA CYS A 53 -10.898 0.719 -5.141 1.00 0.82 C ATOM 786 C CYS A 53 -11.868 1.300 -6.175 1.00 1.24 C ATOM 787 O CYS A 53 -13.020 1.596 -5.869 1.00 1.62 O ATOM 788 CB CYS A 53 -9.965 1.807 -4.602 1.00 1.01 C ATOM 789 SG CYS A 53 -10.785 2.747 -3.295 1.00 1.43 S ATOM 0 H CYS A 53 -9.200 -0.201 -5.986 1.00 0.63 H new ATOM 0 HA CYS A 53 -11.500 0.340 -4.315 1.00 0.82 H new ATOM 0 HB2 CYS A 53 -9.052 1.354 -4.215 1.00 1.01 H new ATOM 0 HB3 CYS A 53 -9.671 2.476 -5.410 1.00 1.01 H new