USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 399 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 SER OG : rot -5:sc= -0.747 USER MOD Set 1.2: A 38 ASN : amide:sc= 0.642 K(o=-0.1,f=-7.2!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00778 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 46:sc= 0.778 USER MOD Single : A 21 TYR OH : rot 180:sc= -1.38 USER MOD Single : A 23 ASN : amide:sc= -0.0275 K(o=-0.028,f=-0.89) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.293 USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= 0.197 (180deg=-0.0193) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -3.66! C(o=-3.7!,f=-8.6!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.9!) USER MOD Single : A 49 MET CE :methyl -176:sc= 0 (180deg=-0.015) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.11) USER MOD Single : A 54 LYS NZ :NH3+ -168:sc=-0.00097 (180deg=-0.0963) USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 2 5.958 11.239 3.184 1.00 0.00 N ATOM 23 CA ASP A 2 7.190 10.687 2.633 1.00 0.00 C ATOM 24 C ASP A 2 7.036 9.198 2.345 1.00 0.00 C ATOM 25 O ASP A 2 7.544 8.692 1.345 1.00 0.00 O ATOM 26 CB ASP A 2 8.355 10.914 3.598 1.00 0.00 C ATOM 27 CG ASP A 2 8.574 12.382 3.907 1.00 0.00 C ATOM 28 OD1 ASP A 2 8.129 13.231 3.106 1.00 0.00 O ATOM 29 OD2 ASP A 2 9.191 12.683 4.951 1.00 0.00 O ATOM 0 HA ASP A 2 7.401 11.201 1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.164 10.375 4.526 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.266 10.497 3.168 1.00 0.00 H new ATOM 34 N THR A 3 6.331 8.500 3.231 1.00 0.00 N ATOM 35 CA THR A 3 6.107 7.066 3.077 1.00 0.00 C ATOM 36 C THR A 3 5.465 6.750 1.729 1.00 0.00 C ATOM 37 O THR A 3 5.632 5.655 1.193 1.00 0.00 O ATOM 38 CB THR A 3 5.222 6.545 4.209 1.00 0.00 C ATOM 39 OG1 THR A 3 5.618 7.100 5.451 1.00 0.00 O ATOM 40 CG2 THR A 3 5.251 5.039 4.348 1.00 0.00 C ATOM 0 H THR A 3 5.904 8.905 4.064 1.00 0.00 H new ATOM 0 HA THR A 3 7.076 6.568 3.120 1.00 0.00 H new ATOM 0 HB THR A 3 4.209 6.849 3.946 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.039 6.756 6.163 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.601 4.737 5.170 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.902 4.581 3.422 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.271 4.712 4.552 1.00 0.00 H new ATOM 48 N CYS A 4 4.731 7.716 1.185 1.00 0.00 N ATOM 49 CA CYS A 4 4.065 7.538 -0.101 1.00 0.00 C ATOM 50 C CYS A 4 5.069 7.551 -1.255 1.00 0.00 C ATOM 51 O CYS A 4 4.710 7.266 -2.398 1.00 0.00 O ATOM 52 CB CYS A 4 3.018 8.635 -0.311 1.00 0.00 C ATOM 53 SG CYS A 4 1.612 8.557 0.848 1.00 0.00 S ATOM 0 H CYS A 4 4.582 8.629 1.614 1.00 0.00 H new ATOM 0 HA CYS A 4 3.573 6.566 -0.089 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.502 9.607 -0.213 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.638 8.569 -1.331 1.00 0.00 H new ATOM 58 N ARG A 5 6.322 7.887 -0.956 1.00 0.00 N ATOM 59 CA ARG A 5 7.362 7.938 -1.978 1.00 0.00 C ATOM 60 C ARG A 5 8.108 6.608 -2.085 1.00 0.00 C ATOM 61 O ARG A 5 8.791 6.353 -3.077 1.00 0.00 O ATOM 62 CB ARG A 5 8.349 9.065 -1.671 1.00 0.00 C ATOM 63 CG ARG A 5 7.790 10.452 -1.944 1.00 0.00 C ATOM 64 CD ARG A 5 8.181 11.436 -0.852 1.00 0.00 C ATOM 65 NE ARG A 5 7.116 12.400 -0.578 1.00 0.00 N ATOM 66 CZ ARG A 5 6.889 13.485 -1.314 1.00 0.00 C ATOM 67 NH1 ARG A 5 7.649 13.751 -2.370 1.00 0.00 N ATOM 68 NH2 ARG A 5 5.899 14.308 -0.995 1.00 0.00 N ATOM 0 H ARG A 5 6.640 8.127 -0.017 1.00 0.00 H new ATOM 0 HA ARG A 5 6.878 8.131 -2.935 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.647 9.001 -0.624 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.250 8.921 -2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.156 10.810 -2.906 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.704 10.400 -2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.419 10.889 0.061 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.084 11.968 -1.150 1.00 0.00 H new ATOM 0 HE ARG A 5 6.511 12.230 0.225 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.412 13.122 -2.621 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.470 14.584 -2.930 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.311 14.109 -0.185 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.725 15.140 -1.559 1.00 0.00 H new ATOM 82 N LEU A 6 7.980 5.766 -1.062 1.00 0.00 N ATOM 83 CA LEU A 6 8.648 4.467 -1.054 1.00 0.00 C ATOM 84 C LEU A 6 7.639 3.326 -1.192 1.00 0.00 C ATOM 85 O LEU A 6 7.260 2.703 -0.203 1.00 0.00 O ATOM 86 CB LEU A 6 9.462 4.293 0.232 1.00 0.00 C ATOM 87 CG LEU A 6 8.853 4.932 1.482 1.00 0.00 C ATOM 88 CD1 LEU A 6 9.273 4.171 2.730 1.00 0.00 C ATOM 89 CD2 LEU A 6 9.266 6.393 1.584 1.00 0.00 C ATOM 0 H LEU A 6 7.422 5.959 -0.230 1.00 0.00 H new ATOM 0 HA LEU A 6 9.322 4.433 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.595 3.227 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.454 4.716 0.075 1.00 0.00 H new ATOM 0 HG LEU A 6 7.767 4.884 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.830 4.640 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.931 3.138 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.359 4.188 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.825 6.834 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.352 6.461 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.917 6.932 0.703 1.00 0.00 H new ATOM 101 N PRO A 7 7.193 3.035 -2.428 1.00 0.00 N ATOM 102 CA PRO A 7 6.225 1.964 -2.692 1.00 0.00 C ATOM 103 C PRO A 7 6.564 0.668 -1.959 1.00 0.00 C ATOM 104 O PRO A 7 7.734 0.351 -1.748 1.00 0.00 O ATOM 105 CB PRO A 7 6.333 1.762 -4.201 1.00 0.00 C ATOM 106 CG PRO A 7 6.742 3.091 -4.732 1.00 0.00 C ATOM 107 CD PRO A 7 7.596 3.729 -3.667 1.00 0.00 C ATOM 0 HA PRO A 7 5.225 2.228 -2.347 1.00 0.00 H new ATOM 0 HB2 PRO A 7 7.067 0.995 -4.446 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.382 1.441 -4.627 1.00 0.00 H new ATOM 0 HG2 PRO A 7 7.298 2.983 -5.663 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.870 3.707 -4.951 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.658 3.595 -3.873 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.417 4.802 -3.601 1.00 0.00 H new ATOM 115 N SER A 8 5.530 -0.077 -1.576 1.00 0.00 N ATOM 116 CA SER A 8 5.718 -1.341 -0.870 1.00 0.00 C ATOM 117 C SER A 8 5.711 -2.518 -1.841 1.00 0.00 C ATOM 118 O SER A 8 5.145 -2.434 -2.931 1.00 0.00 O ATOM 119 CB SER A 8 4.628 -1.528 0.186 1.00 0.00 C ATOM 120 OG SER A 8 5.079 -1.114 1.465 1.00 0.00 O ATOM 0 H SER A 8 4.555 0.172 -1.742 1.00 0.00 H new ATOM 0 HA SER A 8 6.690 -1.309 -0.377 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.744 -0.955 -0.094 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.330 -2.576 0.224 1.00 0.00 H new ATOM 0 HG SER A 8 6.029 -0.877 1.416 1.00 0.00 H new ATOM 126 N ASP A 9 6.347 -3.614 -1.437 1.00 0.00 N ATOM 127 CA ASP A 9 6.417 -4.811 -2.269 1.00 0.00 C ATOM 128 C ASP A 9 5.252 -5.752 -1.974 1.00 0.00 C ATOM 129 O ASP A 9 4.817 -5.882 -0.830 1.00 0.00 O ATOM 130 CB ASP A 9 7.745 -5.537 -2.047 1.00 0.00 C ATOM 131 CG ASP A 9 8.943 -4.624 -2.221 1.00 0.00 C ATOM 132 OD1 ASP A 9 9.169 -4.151 -3.356 1.00 0.00 O ATOM 133 OD2 ASP A 9 9.656 -4.382 -1.225 1.00 0.00 O ATOM 0 H ASP A 9 6.822 -3.698 -0.538 1.00 0.00 H new ATOM 0 HA ASP A 9 6.352 -4.500 -3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.759 -5.962 -1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.822 -6.369 -2.747 1.00 0.00 H new ATOM 138 N ARG A 10 4.748 -6.402 -3.019 1.00 0.00 N ATOM 139 CA ARG A 10 3.629 -7.325 -2.886 1.00 0.00 C ATOM 140 C ARG A 10 4.096 -8.756 -2.609 1.00 0.00 C ATOM 141 O ARG A 10 3.273 -9.660 -2.473 1.00 0.00 O ATOM 142 CB ARG A 10 2.775 -7.291 -4.152 1.00 0.00 C ATOM 143 CG ARG A 10 3.537 -7.664 -5.413 1.00 0.00 C ATOM 144 CD ARG A 10 2.791 -7.221 -6.659 1.00 0.00 C ATOM 145 NE ARG A 10 1.618 -8.050 -6.908 1.00 0.00 N ATOM 146 CZ ARG A 10 0.986 -8.105 -8.080 1.00 0.00 C ATOM 147 NH1 ARG A 10 1.412 -7.379 -9.107 1.00 0.00 N ATOM 148 NH2 ARG A 10 -0.075 -8.888 -8.227 1.00 0.00 N ATOM 0 H ARG A 10 5.100 -6.305 -3.971 1.00 0.00 H new ATOM 0 HA ARG A 10 3.034 -7.002 -2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.934 -7.974 -4.031 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.359 -6.291 -4.272 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.524 -7.202 -5.394 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.690 -8.743 -5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.485 -6.181 -6.549 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.459 -7.268 -7.519 1.00 0.00 H new ATOM 0 HE ARG A 10 1.261 -8.620 -6.142 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.227 -6.775 -9.001 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.924 -7.425 -10.002 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.408 -9.449 -7.443 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.558 -8.929 -9.124 1.00 0.00 H new ATOM 162 N GLY A 11 5.416 -8.955 -2.519 1.00 0.00 N ATOM 163 CA GLY A 11 5.970 -10.278 -2.252 1.00 0.00 C ATOM 164 C GLY A 11 5.080 -11.420 -2.711 1.00 0.00 C ATOM 165 O GLY A 11 4.275 -11.934 -1.933 1.00 0.00 O ATOM 0 H GLY A 11 6.113 -8.218 -2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.938 -10.363 -2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.149 -10.377 -1.181 1.00 0.00 H new ATOM 169 N ARG A 12 5.219 -11.821 -3.970 1.00 0.00 N ATOM 170 CA ARG A 12 4.415 -12.914 -4.512 1.00 0.00 C ATOM 171 C ARG A 12 4.436 -14.118 -3.572 1.00 0.00 C ATOM 172 O ARG A 12 3.422 -14.456 -2.962 1.00 0.00 O ATOM 173 CB ARG A 12 4.907 -13.321 -5.906 1.00 0.00 C ATOM 174 CG ARG A 12 6.413 -13.188 -6.099 1.00 0.00 C ATOM 175 CD ARG A 12 7.022 -14.458 -6.676 1.00 0.00 C ATOM 176 NE ARG A 12 8.076 -14.997 -5.822 1.00 0.00 N ATOM 177 CZ ARG A 12 8.840 -16.035 -6.154 1.00 0.00 C ATOM 178 NH1 ARG A 12 8.670 -16.647 -7.319 1.00 0.00 N ATOM 179 NH2 ARG A 12 9.777 -16.462 -5.319 1.00 0.00 N ATOM 0 H ARG A 12 5.876 -11.409 -4.632 1.00 0.00 H new ATOM 0 HA ARG A 12 3.388 -12.559 -4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.618 -14.355 -6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.401 -12.708 -6.651 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.622 -12.350 -6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.884 -12.961 -5.142 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.241 -15.208 -6.805 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.429 -14.248 -7.665 1.00 0.00 H new ATOM 0 HE ARG A 12 8.236 -14.552 -4.918 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.951 -16.322 -7.965 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.258 -17.442 -7.568 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.912 -15.995 -4.422 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.363 -17.258 -5.573 1.00 0.00 H new ATOM 193 N CYS A 13 5.600 -14.753 -3.452 1.00 0.00 N ATOM 194 CA CYS A 13 5.760 -15.912 -2.575 1.00 0.00 C ATOM 195 C CYS A 13 4.586 -16.883 -2.727 1.00 0.00 C ATOM 196 O CYS A 13 3.879 -16.859 -3.735 1.00 0.00 O ATOM 197 CB CYS A 13 5.892 -15.448 -1.121 1.00 0.00 C ATOM 198 SG CYS A 13 7.097 -14.099 -0.882 1.00 0.00 S ATOM 0 H CYS A 13 6.448 -14.484 -3.952 1.00 0.00 H new ATOM 0 HA CYS A 13 6.668 -16.442 -2.862 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.916 -15.117 -0.765 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.185 -16.297 -0.504 1.00 0.00 H new ATOM 203 N LYS A 14 4.383 -17.736 -1.726 1.00 0.00 N ATOM 204 CA LYS A 14 3.295 -18.707 -1.762 1.00 0.00 C ATOM 205 C LYS A 14 1.995 -18.115 -1.213 1.00 0.00 C ATOM 206 O LYS A 14 1.022 -18.838 -0.994 1.00 0.00 O ATOM 207 CB LYS A 14 3.676 -19.957 -0.963 1.00 0.00 C ATOM 208 CG LYS A 14 4.008 -21.158 -1.833 1.00 0.00 C ATOM 209 CD LYS A 14 5.346 -20.987 -2.533 1.00 0.00 C ATOM 210 CE LYS A 14 5.366 -21.695 -3.877 1.00 0.00 C ATOM 211 NZ LYS A 14 5.074 -20.764 -5.001 1.00 0.00 N ATOM 0 H LYS A 14 4.956 -17.774 -0.883 1.00 0.00 H new ATOM 0 HA LYS A 14 3.128 -18.979 -2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.535 -19.727 -0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.853 -20.217 -0.298 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.030 -22.058 -1.219 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.223 -21.298 -2.576 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.550 -19.926 -2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.142 -21.382 -1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.343 -22.154 -4.031 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.632 -22.501 -3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.097 -21.287 -5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.131 -20.345 -4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.789 -20.009 -5.021 1.00 0.00 H new ATOM 225 N ALA A 15 1.980 -16.802 -0.993 1.00 0.00 N ATOM 226 CA ALA A 15 0.795 -16.131 -0.472 1.00 0.00 C ATOM 227 C ALA A 15 0.153 -15.246 -1.536 1.00 0.00 C ATOM 228 O ALA A 15 0.750 -14.982 -2.579 1.00 0.00 O ATOM 229 CB ALA A 15 1.153 -15.310 0.756 1.00 0.00 C ATOM 0 H ALA A 15 2.773 -16.185 -1.167 1.00 0.00 H new ATOM 0 HA ALA A 15 0.070 -16.893 -0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.260 -14.814 1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.559 -15.966 1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.898 -14.561 0.488 1.00 0.00 H new ATOM 235 N SER A 16 -1.067 -14.793 -1.265 1.00 0.00 N ATOM 236 CA SER A 16 -1.788 -13.938 -2.200 1.00 0.00 C ATOM 237 C SER A 16 -2.937 -13.212 -1.508 1.00 0.00 C ATOM 238 O SER A 16 -4.020 -13.770 -1.330 1.00 0.00 O ATOM 239 CB SER A 16 -2.325 -14.769 -3.368 1.00 0.00 C ATOM 240 OG SER A 16 -3.192 -15.792 -2.908 1.00 0.00 O ATOM 0 H SER A 16 -1.576 -15.004 -0.407 1.00 0.00 H new ATOM 0 HA SER A 16 -1.091 -13.191 -2.580 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.858 -14.122 -4.065 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.494 -15.212 -3.917 1.00 0.00 H new ATOM 0 HG SER A 16 -3.815 -15.421 -2.249 1.00 0.00 H new ATOM 246 N PHE A 17 -2.696 -11.963 -1.122 1.00 0.00 N ATOM 247 CA PHE A 17 -3.712 -11.157 -0.452 1.00 0.00 C ATOM 248 C PHE A 17 -3.759 -9.750 -1.035 1.00 0.00 C ATOM 249 O PHE A 17 -2.756 -9.038 -1.045 1.00 0.00 O ATOM 250 CB PHE A 17 -3.432 -11.088 1.051 1.00 0.00 C ATOM 251 CG PHE A 17 -3.637 -12.398 1.757 1.00 0.00 C ATOM 252 CD1 PHE A 17 -2.654 -13.375 1.731 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.813 -12.654 2.443 1.00 0.00 C ATOM 254 CE1 PHE A 17 -2.841 -14.582 2.378 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.006 -13.860 3.090 1.00 0.00 C ATOM 256 CZ PHE A 17 -4.018 -14.824 3.058 1.00 0.00 C ATOM 0 H PHE A 17 -1.805 -11.486 -1.262 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.680 -11.632 -0.612 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.405 -10.757 1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.081 -10.336 1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.732 -13.191 1.199 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.588 -11.902 2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.067 -15.335 2.352 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.928 -14.048 3.620 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.166 -15.766 3.564 1.00 0.00 H new ATOM 266 N GLU A 18 -4.931 -9.353 -1.520 1.00 0.00 N ATOM 267 CA GLU A 18 -5.102 -8.029 -2.104 1.00 0.00 C ATOM 268 C GLU A 18 -5.023 -6.950 -1.028 1.00 0.00 C ATOM 269 O GLU A 18 -5.737 -7.005 -0.026 1.00 0.00 O ATOM 270 CB GLU A 18 -6.443 -7.943 -2.838 1.00 0.00 C ATOM 271 CG GLU A 18 -6.344 -7.306 -4.215 1.00 0.00 C ATOM 272 CD GLU A 18 -7.581 -7.543 -5.059 1.00 0.00 C ATOM 273 OE1 GLU A 18 -8.682 -7.662 -4.481 1.00 0.00 O ATOM 274 OE2 GLU A 18 -7.449 -7.609 -6.300 1.00 0.00 O ATOM 0 H GLU A 18 -5.774 -9.928 -1.520 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.296 -7.863 -2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.857 -8.946 -2.940 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.144 -7.369 -2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.185 -6.233 -4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.473 -7.706 -4.734 1.00 0.00 H new ATOM 281 N ARG A 19 -4.146 -5.973 -1.238 1.00 0.00 N ATOM 282 CA ARG A 19 -3.972 -4.888 -0.280 1.00 0.00 C ATOM 283 C ARG A 19 -3.798 -3.548 -0.989 1.00 0.00 C ATOM 284 O ARG A 19 -3.725 -3.487 -2.218 1.00 0.00 O ATOM 285 CB ARG A 19 -2.767 -5.167 0.618 1.00 0.00 C ATOM 286 CG ARG A 19 -2.735 -6.584 1.169 1.00 0.00 C ATOM 287 CD ARG A 19 -3.733 -6.767 2.300 1.00 0.00 C ATOM 288 NE ARG A 19 -3.130 -6.515 3.608 1.00 0.00 N ATOM 289 CZ ARG A 19 -3.648 -6.941 4.757 1.00 0.00 C ATOM 290 NH1 ARG A 19 -4.778 -7.639 4.767 1.00 0.00 N ATOM 291 NH2 ARG A 19 -3.035 -6.670 5.901 1.00 0.00 N ATOM 0 H ARG A 19 -3.547 -5.911 -2.061 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.871 -4.832 0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.853 -4.985 0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.773 -4.462 1.450 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.957 -7.291 0.370 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.732 -6.813 1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.576 -6.091 2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.130 -7.782 2.273 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.261 -5.981 3.641 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.254 -7.851 3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.170 -7.963 5.651 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.167 -6.135 5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.432 -6.996 6.782 1.00 0.00 H new ATOM 305 N TRP A 20 -3.738 -2.474 -0.203 1.00 0.00 N ATOM 306 CA TRP A 20 -3.581 -1.129 -0.748 1.00 0.00 C ATOM 307 C TRP A 20 -2.225 -0.531 -0.378 1.00 0.00 C ATOM 308 O TRP A 20 -1.642 -0.871 0.652 1.00 0.00 O ATOM 309 CB TRP A 20 -4.701 -0.221 -0.236 1.00 0.00 C ATOM 310 CG TRP A 20 -6.058 -0.606 -0.739 1.00 0.00 C ATOM 311 CD1 TRP A 20 -6.937 -1.468 -0.150 1.00 0.00 C ATOM 312 CD2 TRP A 20 -6.691 -0.145 -1.937 1.00 0.00 C ATOM 313 NE1 TRP A 20 -8.078 -1.569 -0.905 1.00 0.00 N ATOM 314 CE2 TRP A 20 -7.952 -0.767 -2.007 1.00 0.00 C ATOM 315 CE3 TRP A 20 -6.315 0.735 -2.956 1.00 0.00 C ATOM 316 CZ2 TRP A 20 -8.837 -0.537 -3.055 1.00 0.00 C ATOM 317 CZ3 TRP A 20 -7.195 0.962 -3.996 1.00 0.00 C ATOM 318 CH2 TRP A 20 -8.444 0.328 -4.039 1.00 0.00 C ATOM 0 H TRP A 20 -3.796 -2.511 0.815 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.636 -1.202 -1.834 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.706 -0.243 0.854 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.490 0.806 -0.533 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -6.760 -1.994 0.776 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.888 -2.147 -0.682 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.354 1.228 -2.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -9.800 -1.024 -3.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -6.916 1.639 -4.789 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -9.110 0.526 -4.866 1.00 0.00 H new ATOM 329 N TYR A 21 -1.731 0.361 -1.232 1.00 0.00 N ATOM 330 CA TYR A 21 -0.442 1.017 -1.011 1.00 0.00 C ATOM 331 C TYR A 21 -0.429 2.392 -1.672 1.00 0.00 C ATOM 332 O TYR A 21 -1.272 2.689 -2.518 1.00 0.00 O ATOM 333 CB TYR A 21 0.692 0.157 -1.581 1.00 0.00 C ATOM 334 CG TYR A 21 0.351 -0.432 -2.926 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.603 -1.429 -3.032 1.00 0.00 C ATOM 336 CD2 TYR A 21 0.954 0.028 -4.090 1.00 0.00 C ATOM 337 CE1 TYR A 21 -0.947 -1.959 -4.252 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.606 -0.491 -5.322 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.346 -1.486 -5.397 1.00 0.00 C ATOM 340 OH TYR A 21 -0.718 -1.991 -6.622 1.00 0.00 O ATOM 0 H TYR A 21 -2.205 0.648 -2.088 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.293 1.138 0.062 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.593 0.764 -1.672 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.919 -0.648 -0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.086 -1.797 -2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.705 0.802 -4.031 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.686 -2.744 -4.313 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.076 -0.120 -6.221 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.200 -1.551 -7.328 1.00 0.00 H new ATOM 350 N PHE A 22 0.528 3.228 -1.286 1.00 0.00 N ATOM 351 CA PHE A 22 0.636 4.570 -1.853 1.00 0.00 C ATOM 352 C PHE A 22 1.263 4.527 -3.243 1.00 0.00 C ATOM 353 O PHE A 22 2.191 3.758 -3.496 1.00 0.00 O ATOM 354 CB PHE A 22 1.476 5.472 -0.946 1.00 0.00 C ATOM 355 CG PHE A 22 1.051 5.452 0.492 1.00 0.00 C ATOM 356 CD1 PHE A 22 -0.189 5.941 0.869 1.00 0.00 C ATOM 357 CD2 PHE A 22 1.894 4.950 1.470 1.00 0.00 C ATOM 358 CE1 PHE A 22 -0.580 5.928 2.193 1.00 0.00 C ATOM 359 CE2 PHE A 22 1.509 4.934 2.796 1.00 0.00 C ATOM 360 CZ PHE A 22 0.269 5.424 3.158 1.00 0.00 C ATOM 0 H PHE A 22 1.237 3.004 -0.588 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.372 4.977 -1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.520 5.165 -1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.421 6.496 -1.317 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -0.857 6.337 0.119 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.864 4.566 1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.550 6.312 2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.176 4.539 3.548 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.036 5.413 4.194 1.00 0.00 H new ATOM 370 N ASN A 23 0.753 5.367 -4.137 1.00 0.00 N ATOM 371 CA ASN A 23 1.263 5.438 -5.501 1.00 0.00 C ATOM 372 C ASN A 23 1.455 6.892 -5.921 1.00 0.00 C ATOM 373 O ASN A 23 0.779 7.384 -6.826 1.00 0.00 O ATOM 374 CB ASN A 23 0.305 4.734 -6.465 1.00 0.00 C ATOM 375 CG ASN A 23 0.975 4.353 -7.770 1.00 0.00 C ATOM 376 OD1 ASN A 23 2.144 3.967 -7.791 1.00 0.00 O ATOM 377 ND2 ASN A 23 0.236 4.461 -8.868 1.00 0.00 N ATOM 0 H ASN A 23 -0.015 6.009 -3.941 1.00 0.00 H new ATOM 0 HA ASN A 23 2.228 4.933 -5.536 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.092 3.838 -5.988 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.543 5.387 -6.672 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.633 4.220 -9.776 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.729 4.785 -8.803 1.00 0.00 H new ATOM 384 N GLY A 24 2.375 7.576 -5.251 1.00 0.00 N ATOM 385 CA GLY A 24 2.637 8.968 -5.560 1.00 0.00 C ATOM 386 C GLY A 24 1.638 9.898 -4.901 1.00 0.00 C ATOM 387 O GLY A 24 1.909 10.460 -3.839 1.00 0.00 O ATOM 0 H GLY A 24 2.945 7.190 -4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.644 9.228 -5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.606 9.111 -6.640 1.00 0.00 H new ATOM 391 N ARG A 25 0.478 10.057 -5.529 1.00 0.00 N ATOM 392 CA ARG A 25 -0.569 10.923 -4.994 1.00 0.00 C ATOM 393 C ARG A 25 -1.807 10.113 -4.619 1.00 0.00 C ATOM 394 O ARG A 25 -2.547 10.482 -3.706 1.00 0.00 O ATOM 395 CB ARG A 25 -0.940 12.002 -6.013 1.00 0.00 C ATOM 396 CG ARG A 25 -1.348 11.450 -7.371 1.00 0.00 C ATOM 397 CD ARG A 25 -0.565 12.105 -8.499 1.00 0.00 C ATOM 398 NE ARG A 25 0.872 12.103 -8.240 1.00 0.00 N ATOM 399 CZ ARG A 25 1.737 12.903 -8.859 1.00 0.00 C ATOM 400 NH1 ARG A 25 1.315 13.770 -9.772 1.00 0.00 N ATOM 401 NH2 ARG A 25 3.028 12.838 -8.565 1.00 0.00 N ATOM 0 H ARG A 25 0.238 9.599 -6.408 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.184 11.402 -4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.759 12.600 -5.613 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.091 12.672 -6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.184 10.373 -7.391 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.415 11.613 -7.525 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.766 11.580 -9.433 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.908 13.131 -8.631 1.00 0.00 H new ATOM 0 HE ARG A 25 1.234 11.451 -7.544 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.323 13.826 -10.002 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.983 14.380 -10.243 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.359 12.175 -7.864 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.691 13.451 -9.040 1.00 0.00 H new ATOM 415 N THR A 26 -2.030 9.011 -5.329 1.00 0.00 N ATOM 416 CA THR A 26 -3.181 8.153 -5.071 1.00 0.00 C ATOM 417 C THR A 26 -2.740 6.776 -4.585 1.00 0.00 C ATOM 418 O THR A 26 -1.548 6.474 -4.536 1.00 0.00 O ATOM 419 CB THR A 26 -4.033 8.012 -6.333 1.00 0.00 C ATOM 420 OG1 THR A 26 -5.171 7.205 -6.083 1.00 0.00 O ATOM 421 CG2 THR A 26 -3.282 7.399 -7.496 1.00 0.00 C ATOM 0 H THR A 26 -1.428 8.691 -6.088 1.00 0.00 H new ATOM 0 HA THR A 26 -3.778 8.619 -4.287 1.00 0.00 H new ATOM 0 HB THR A 26 -4.321 9.028 -6.602 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.704 7.128 -6.902 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.944 7.327 -8.359 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.425 8.025 -7.746 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.935 6.403 -7.221 1.00 0.00 H new ATOM 429 N CYS A 27 -3.715 5.948 -4.226 1.00 0.00 N ATOM 430 CA CYS A 27 -3.442 4.600 -3.739 1.00 0.00 C ATOM 431 C CYS A 27 -3.398 3.601 -4.892 1.00 0.00 C ATOM 432 O CYS A 27 -3.657 3.951 -6.043 1.00 0.00 O ATOM 433 CB CYS A 27 -4.508 4.182 -2.723 1.00 0.00 C ATOM 434 SG CYS A 27 -3.853 3.277 -1.285 1.00 0.00 S ATOM 0 H CYS A 27 -4.706 6.188 -4.263 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.466 4.604 -3.253 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.028 5.073 -2.371 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.248 3.558 -3.225 1.00 0.00 H new ATOM 439 N ALA A 28 -3.055 2.357 -4.571 1.00 0.00 N ATOM 440 CA ALA A 28 -2.958 1.299 -5.572 1.00 0.00 C ATOM 441 C ALA A 28 -3.369 -0.053 -4.985 1.00 0.00 C ATOM 442 O ALA A 28 -3.690 -0.148 -3.800 1.00 0.00 O ATOM 443 CB ALA A 28 -1.556 1.249 -6.150 1.00 0.00 C ATOM 0 H ALA A 28 -2.839 2.056 -3.621 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.651 1.525 -6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.498 0.456 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.321 2.205 -6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.840 1.051 -5.352 1.00 0.00 H new ATOM 449 N LYS A 29 -3.384 -1.095 -5.820 1.00 0.00 N ATOM 450 CA LYS A 29 -3.789 -2.426 -5.366 1.00 0.00 C ATOM 451 C LYS A 29 -2.995 -3.533 -6.062 1.00 0.00 C ATOM 452 O LYS A 29 -2.709 -3.455 -7.256 1.00 0.00 O ATOM 453 CB LYS A 29 -5.284 -2.635 -5.615 1.00 0.00 C ATOM 454 CG LYS A 29 -5.976 -3.439 -4.525 1.00 0.00 C ATOM 455 CD LYS A 29 -7.431 -3.713 -4.873 1.00 0.00 C ATOM 456 CE LYS A 29 -8.321 -3.643 -3.643 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.673 -4.998 -3.132 1.00 0.00 N ATOM 0 H LYS A 29 -3.123 -1.044 -6.805 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.580 -2.483 -4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.769 -1.663 -5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.417 -3.143 -6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.452 -4.383 -4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.923 -2.896 -3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.772 -2.988 -5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.517 -4.699 -5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.813 -3.080 -2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.234 -3.099 -3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.500 -4.929 -2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.896 -5.624 -3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.869 -5.388 -2.601 1.00 0.00 H new ATOM 471 N PHE A 30 -2.650 -4.568 -5.295 1.00 0.00 N ATOM 472 CA PHE A 30 -1.897 -5.707 -5.816 1.00 0.00 C ATOM 473 C PHE A 30 -2.035 -6.914 -4.894 1.00 0.00 C ATOM 474 O PHE A 30 -2.644 -6.824 -3.828 1.00 0.00 O ATOM 475 CB PHE A 30 -0.412 -5.359 -5.996 1.00 0.00 C ATOM 476 CG PHE A 30 0.244 -4.714 -4.798 1.00 0.00 C ATOM 477 CD1 PHE A 30 -0.341 -4.766 -3.538 1.00 0.00 C ATOM 478 CD2 PHE A 30 1.460 -4.062 -4.935 1.00 0.00 C ATOM 479 CE1 PHE A 30 0.274 -4.180 -2.448 1.00 0.00 C ATOM 480 CE2 PHE A 30 2.078 -3.476 -3.847 1.00 0.00 C ATOM 481 CZ PHE A 30 1.485 -3.535 -2.602 1.00 0.00 C ATOM 0 H PHE A 30 -2.882 -4.640 -4.304 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.315 -5.955 -6.792 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.132 -6.271 -6.242 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.313 -4.689 -6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.287 -5.270 -3.409 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.931 -4.011 -5.906 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.193 -4.227 -1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.025 -2.972 -3.971 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.967 -3.078 -1.751 1.00 0.00 H new ATOM 491 N ILE A 31 -1.463 -8.041 -5.302 1.00 0.00 N ATOM 492 CA ILE A 31 -1.521 -9.252 -4.498 1.00 0.00 C ATOM 493 C ILE A 31 -0.336 -9.304 -3.541 1.00 0.00 C ATOM 494 O ILE A 31 0.750 -9.753 -3.906 1.00 0.00 O ATOM 495 CB ILE A 31 -1.513 -10.512 -5.383 1.00 0.00 C ATOM 496 CG1 ILE A 31 -2.654 -10.455 -6.400 1.00 0.00 C ATOM 497 CG2 ILE A 31 -1.616 -11.769 -4.529 1.00 0.00 C ATOM 498 CD1 ILE A 31 -4.029 -10.492 -5.768 1.00 0.00 C ATOM 0 H ILE A 31 -0.956 -8.140 -6.182 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.452 -9.229 -3.932 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.568 -10.547 -5.926 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.559 -9.544 -6.990 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.557 -11.293 -7.090 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.609 -12.648 -5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.769 -11.814 -3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.544 -11.746 -3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.789 -10.448 -6.548 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.144 -11.416 -5.201 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.145 -9.639 -5.100 1.00 0.00 H new ATOM 510 N TYR A 32 -0.551 -8.833 -2.316 1.00 0.00 N ATOM 511 CA TYR A 32 0.502 -8.814 -1.310 1.00 0.00 C ATOM 512 C TYR A 32 0.526 -10.112 -0.514 1.00 0.00 C ATOM 513 O TYR A 32 -0.211 -10.271 0.459 1.00 0.00 O ATOM 514 CB TYR A 32 0.314 -7.626 -0.360 1.00 0.00 C ATOM 515 CG TYR A 32 1.376 -7.527 0.717 1.00 0.00 C ATOM 516 CD1 TYR A 32 2.681 -7.937 0.475 1.00 0.00 C ATOM 517 CD2 TYR A 32 1.072 -7.022 1.975 1.00 0.00 C ATOM 518 CE1 TYR A 32 3.651 -7.847 1.455 1.00 0.00 C ATOM 519 CE2 TYR A 32 2.037 -6.929 2.960 1.00 0.00 C ATOM 520 CZ TYR A 32 3.324 -7.343 2.695 1.00 0.00 C ATOM 521 OH TYR A 32 4.287 -7.251 3.673 1.00 0.00 O ATOM 0 H TYR A 32 -1.445 -8.460 -1.998 1.00 0.00 H new ATOM 0 HA TYR A 32 1.455 -8.710 -1.829 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.314 -6.704 -0.942 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.664 -7.704 0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.942 -8.333 -0.495 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.064 -6.696 2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.661 -8.170 1.250 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.783 -6.534 3.933 1.00 0.00 H new ATOM 0 HH TYR A 32 3.892 -6.874 4.487 1.00 0.00 H new ATOM 531 N GLY A 33 1.385 -11.033 -0.933 1.00 0.00 N ATOM 532 CA GLY A 33 1.499 -12.306 -0.245 1.00 0.00 C ATOM 533 C GLY A 33 1.957 -12.138 1.192 1.00 0.00 C ATOM 534 O GLY A 33 1.674 -12.980 2.044 1.00 0.00 O ATOM 0 H GLY A 33 2.004 -10.922 -1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.535 -12.814 -0.261 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.204 -12.944 -0.778 1.00 0.00 H new ATOM 538 N GLY A 34 2.665 -11.046 1.459 1.00 0.00 N ATOM 539 CA GLY A 34 3.151 -10.783 2.802 1.00 0.00 C ATOM 540 C GLY A 34 4.662 -10.634 2.864 1.00 0.00 C ATOM 541 O GLY A 34 5.237 -10.560 3.950 1.00 0.00 O ATOM 0 H GLY A 34 2.912 -10.337 0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.685 -9.873 3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.844 -11.596 3.460 1.00 0.00 H new ATOM 545 N CYS A 35 5.309 -10.592 1.701 1.00 0.00 N ATOM 546 CA CYS A 35 6.760 -10.453 1.641 1.00 0.00 C ATOM 547 C CYS A 35 7.157 -9.080 1.101 1.00 0.00 C ATOM 548 O CYS A 35 6.894 -8.750 -0.060 1.00 0.00 O ATOM 549 CB CYS A 35 7.376 -11.564 0.778 1.00 0.00 C ATOM 550 SG CYS A 35 6.429 -13.126 0.771 1.00 0.00 S ATOM 0 H CYS A 35 4.852 -10.652 0.791 1.00 0.00 H new ATOM 0 HA CYS A 35 7.147 -10.546 2.656 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.466 -11.203 -0.247 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.386 -11.767 1.135 1.00 0.00 H new ATOM 555 N GLY A 36 7.791 -8.279 1.955 1.00 0.00 N ATOM 556 CA GLY A 36 8.215 -6.950 1.554 1.00 0.00 C ATOM 557 C GLY A 36 7.199 -5.885 1.914 1.00 0.00 C ATOM 558 O GLY A 36 6.334 -5.543 1.107 1.00 0.00 O ATOM 0 H GLY A 36 8.018 -8.528 2.918 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.167 -6.716 2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.386 -6.936 0.478 1.00 0.00 H new ATOM 562 N GLY A 37 7.303 -5.356 3.131 1.00 0.00 N ATOM 563 CA GLY A 37 6.380 -4.329 3.576 1.00 0.00 C ATOM 564 C GLY A 37 6.969 -3.456 4.667 1.00 0.00 C ATOM 565 O GLY A 37 7.427 -3.957 5.693 1.00 0.00 O ATOM 0 H GLY A 37 8.011 -5.621 3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.098 -3.705 2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.468 -4.799 3.943 1.00 0.00 H new ATOM 569 N ASN A 38 6.958 -2.145 4.445 1.00 0.00 N ATOM 570 CA ASN A 38 7.496 -1.199 5.417 1.00 0.00 C ATOM 571 C ASN A 38 6.402 -0.260 5.929 1.00 0.00 C ATOM 572 O ASN A 38 5.763 -0.539 6.943 1.00 0.00 O ATOM 573 CB ASN A 38 8.653 -0.396 4.805 1.00 0.00 C ATOM 574 CG ASN A 38 8.502 -0.198 3.307 1.00 0.00 C ATOM 575 OD1 ASN A 38 7.386 -0.135 2.788 1.00 0.00 O ATOM 576 ND2 ASN A 38 9.624 -0.099 2.604 1.00 0.00 N ATOM 0 H ASN A 38 6.582 -1.714 3.600 1.00 0.00 H new ATOM 0 HA ASN A 38 7.880 -1.766 6.265 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.711 0.578 5.292 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.593 -0.910 5.006 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.583 0.035 1.594 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.527 -0.157 3.074 1.00 0.00 H new ATOM 583 N GLY A 39 6.187 0.848 5.224 1.00 0.00 N ATOM 584 CA GLY A 39 5.165 1.798 5.629 1.00 0.00 C ATOM 585 C GLY A 39 4.263 2.216 4.482 1.00 0.00 C ATOM 586 O GLY A 39 3.351 3.022 4.666 1.00 0.00 O ATOM 0 H GLY A 39 6.701 1.104 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.558 1.357 6.420 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.644 2.682 6.050 1.00 0.00 H new ATOM 590 N ASN A 40 4.516 1.671 3.295 1.00 0.00 N ATOM 591 CA ASN A 40 3.724 1.995 2.116 1.00 0.00 C ATOM 592 C ASN A 40 2.554 1.027 1.953 1.00 0.00 C ATOM 593 O ASN A 40 1.561 1.344 1.297 1.00 0.00 O ATOM 594 CB ASN A 40 4.611 1.957 0.870 1.00 0.00 C ATOM 595 CG ASN A 40 3.998 2.685 -0.309 1.00 0.00 C ATOM 596 OD1 ASN A 40 3.015 2.230 -0.891 1.00 0.00 O ATOM 597 ND2 ASN A 40 4.582 3.822 -0.669 1.00 0.00 N ATOM 0 H ASN A 40 5.266 1.001 3.126 1.00 0.00 H new ATOM 0 HA ASN A 40 3.317 2.998 2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.578 2.403 1.104 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.797 0.919 0.594 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.217 4.356 -1.458 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.396 4.162 -0.157 1.00 0.00 H new ATOM 604 N LYS A 41 2.680 -0.155 2.550 1.00 0.00 N ATOM 605 CA LYS A 41 1.637 -1.171 2.468 1.00 0.00 C ATOM 606 C LYS A 41 0.477 -0.853 3.409 1.00 0.00 C ATOM 607 O LYS A 41 0.662 -0.223 4.450 1.00 0.00 O ATOM 608 CB LYS A 41 2.212 -2.548 2.805 1.00 0.00 C ATOM 609 CG LYS A 41 2.917 -2.598 4.151 1.00 0.00 C ATOM 610 CD LYS A 41 2.774 -3.962 4.805 1.00 0.00 C ATOM 611 CE LYS A 41 1.486 -4.064 5.606 1.00 0.00 C ATOM 612 NZ LYS A 41 1.677 -3.643 7.022 1.00 0.00 N ATOM 0 H LYS A 41 3.495 -0.432 3.096 1.00 0.00 H new ATOM 0 HA LYS A 41 1.258 -1.176 1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.405 -3.281 2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.915 -2.840 2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.974 -2.366 4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.503 -1.833 4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.790 -4.737 4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.626 -4.144 5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.720 -3.442 5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.122 -5.091 5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.776 -3.727 7.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.389 -4.253 7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.000 -2.655 7.050 1.00 0.00 H new ATOM 626 N PHE A 42 -0.717 -1.299 3.032 1.00 0.00 N ATOM 627 CA PHE A 42 -1.914 -1.074 3.836 1.00 0.00 C ATOM 628 C PHE A 42 -3.014 -2.057 3.444 1.00 0.00 C ATOM 629 O PHE A 42 -3.114 -2.457 2.285 1.00 0.00 O ATOM 630 CB PHE A 42 -2.407 0.364 3.668 1.00 0.00 C ATOM 631 CG PHE A 42 -1.777 1.331 4.632 1.00 0.00 C ATOM 632 CD1 PHE A 42 -2.246 1.440 5.931 1.00 0.00 C ATOM 633 CD2 PHE A 42 -0.713 2.127 4.238 1.00 0.00 C ATOM 634 CE1 PHE A 42 -1.668 2.326 6.820 1.00 0.00 C ATOM 635 CE2 PHE A 42 -0.129 3.014 5.122 1.00 0.00 C ATOM 636 CZ PHE A 42 -0.607 3.114 6.414 1.00 0.00 C ATOM 0 H PHE A 42 -0.882 -1.821 2.171 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.660 -1.236 4.883 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.202 0.693 2.649 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.489 0.386 3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.073 0.825 6.253 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.336 2.053 3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.044 2.403 7.829 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.700 3.628 4.803 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.152 3.807 7.106 1.00 0.00 H new ATOM 646 N PRO A 43 -3.854 -2.469 4.409 1.00 0.00 N ATOM 647 CA PRO A 43 -4.943 -3.421 4.157 1.00 0.00 C ATOM 648 C PRO A 43 -6.112 -2.796 3.398 1.00 0.00 C ATOM 649 O PRO A 43 -6.688 -3.421 2.506 1.00 0.00 O ATOM 650 CB PRO A 43 -5.381 -3.829 5.564 1.00 0.00 C ATOM 651 CG PRO A 43 -5.046 -2.655 6.417 1.00 0.00 C ATOM 652 CD PRO A 43 -3.802 -2.050 5.823 1.00 0.00 C ATOM 0 HA PRO A 43 -4.617 -4.252 3.532 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.447 -4.052 5.598 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.857 -4.724 5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.864 -1.934 6.427 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.877 -2.959 7.450 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.799 -0.964 5.920 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.902 -2.417 6.317 1.00 0.00 H new ATOM 660 N THR A 44 -6.466 -1.567 3.761 1.00 0.00 N ATOM 661 CA THR A 44 -7.574 -0.872 3.113 1.00 0.00 C ATOM 662 C THR A 44 -7.133 0.477 2.553 1.00 0.00 C ATOM 663 O THR A 44 -6.187 1.090 3.048 1.00 0.00 O ATOM 664 CB THR A 44 -8.722 -0.671 4.103 1.00 0.00 C ATOM 665 OG1 THR A 44 -8.224 -0.416 5.405 1.00 0.00 O ATOM 666 CG2 THR A 44 -9.650 -1.862 4.192 1.00 0.00 C ATOM 0 H THR A 44 -6.004 -1.033 4.497 1.00 0.00 H new ATOM 0 HA THR A 44 -7.915 -1.490 2.283 1.00 0.00 H new ATOM 0 HB THR A 44 -9.285 0.181 3.722 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.974 -0.289 6.023 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.442 -1.653 4.912 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.090 -2.054 3.214 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.088 -2.738 4.515 1.00 0.00 H new ATOM 674 N GLN A 45 -7.832 0.934 1.519 1.00 0.00 N ATOM 675 CA GLN A 45 -7.523 2.212 0.888 1.00 0.00 C ATOM 676 C GLN A 45 -7.801 3.369 1.843 1.00 0.00 C ATOM 677 O GLN A 45 -7.175 4.424 1.754 1.00 0.00 O ATOM 678 CB GLN A 45 -8.346 2.382 -0.392 1.00 0.00 C ATOM 679 CG GLN A 45 -7.840 3.491 -1.299 1.00 0.00 C ATOM 680 CD GLN A 45 -8.933 4.068 -2.179 1.00 0.00 C ATOM 681 OE1 GLN A 45 -10.113 4.030 -1.829 1.00 0.00 O ATOM 682 NE2 GLN A 45 -8.545 4.606 -3.329 1.00 0.00 N ATOM 0 H GLN A 45 -8.618 0.437 1.100 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.463 2.220 0.635 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.341 1.442 -0.944 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.382 2.589 -0.123 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.411 4.287 -0.690 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.038 3.104 -1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.556 4.616 -3.579 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.236 5.009 -3.962 1.00 0.00 H new ATOM 691 N GLU A 46 -8.741 3.163 2.757 1.00 0.00 N ATOM 692 CA GLU A 46 -9.097 4.191 3.728 1.00 0.00 C ATOM 693 C GLU A 46 -7.895 4.560 4.590 1.00 0.00 C ATOM 694 O GLU A 46 -7.741 5.711 4.999 1.00 0.00 O ATOM 695 CB GLU A 46 -10.246 3.707 4.615 1.00 0.00 C ATOM 696 CG GLU A 46 -10.927 4.821 5.390 1.00 0.00 C ATOM 697 CD GLU A 46 -10.237 5.120 6.706 1.00 0.00 C ATOM 698 OE1 GLU A 46 -9.505 4.240 7.206 1.00 0.00 O ATOM 699 OE2 GLU A 46 -10.428 6.235 7.237 1.00 0.00 O ATOM 0 H GLU A 46 -9.270 2.295 2.847 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.418 5.078 3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.986 3.203 3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.864 2.967 5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.946 5.724 4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.964 4.544 5.582 1.00 0.00 H new ATOM 706 N ALA A 47 -7.043 3.576 4.858 1.00 0.00 N ATOM 707 CA ALA A 47 -5.853 3.797 5.669 1.00 0.00 C ATOM 708 C ALA A 47 -4.825 4.635 4.915 1.00 0.00 C ATOM 709 O ALA A 47 -4.229 5.554 5.477 1.00 0.00 O ATOM 710 CB ALA A 47 -5.246 2.469 6.091 1.00 0.00 C ATOM 0 H ALA A 47 -7.155 2.618 4.525 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.149 4.347 6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.358 2.651 6.696 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.974 1.905 6.675 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.970 1.897 5.205 1.00 0.00 H new ATOM 716 N CYS A 48 -4.618 4.311 3.641 1.00 0.00 N ATOM 717 CA CYS A 48 -3.659 5.039 2.819 1.00 0.00 C ATOM 718 C CYS A 48 -4.186 6.428 2.469 1.00 0.00 C ATOM 719 O CYS A 48 -3.444 7.410 2.494 1.00 0.00 O ATOM 720 CB CYS A 48 -3.339 4.254 1.542 1.00 0.00 C ATOM 721 SG CYS A 48 -4.682 4.223 0.309 1.00 0.00 S ATOM 0 H CYS A 48 -5.100 3.552 3.158 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.741 5.156 3.395 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.450 4.685 1.080 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.091 3.228 1.815 1.00 0.00 H new ATOM 726 N MET A 49 -5.471 6.504 2.144 1.00 0.00 N ATOM 727 CA MET A 49 -6.096 7.774 1.789 1.00 0.00 C ATOM 728 C MET A 49 -6.172 8.710 2.995 1.00 0.00 C ATOM 729 O MET A 49 -6.373 9.913 2.844 1.00 0.00 O ATOM 730 CB MET A 49 -7.498 7.536 1.224 1.00 0.00 C ATOM 731 CG MET A 49 -7.570 7.654 -0.290 1.00 0.00 C ATOM 732 SD MET A 49 -8.236 9.238 -0.833 1.00 0.00 S ATOM 733 CE MET A 49 -7.035 9.700 -2.078 1.00 0.00 C ATOM 0 H MET A 49 -6.101 5.702 2.119 1.00 0.00 H new ATOM 0 HA MET A 49 -5.478 8.249 1.027 1.00 0.00 H new ATOM 0 HB2 MET A 49 -7.836 6.543 1.520 1.00 0.00 H new ATOM 0 HB3 MET A 49 -8.187 8.253 1.670 1.00 0.00 H new ATOM 0 HG2 MET A 49 -6.572 7.521 -0.709 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.191 6.849 -0.684 1.00 0.00 H new ATOM 0 HE1 MET A 49 -7.270 10.694 -2.459 1.00 0.00 H new ATOM 0 HE2 MET A 49 -6.038 9.706 -1.637 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.065 8.981 -2.897 1.00 0.00 H new ATOM 743 N LYS A 50 -6.015 8.151 4.192 1.00 0.00 N ATOM 744 CA LYS A 50 -6.072 8.942 5.416 1.00 0.00 C ATOM 745 C LYS A 50 -4.691 9.467 5.806 1.00 0.00 C ATOM 746 O LYS A 50 -4.577 10.415 6.583 1.00 0.00 O ATOM 747 CB LYS A 50 -6.651 8.104 6.558 1.00 0.00 C ATOM 748 CG LYS A 50 -6.924 8.902 7.822 1.00 0.00 C ATOM 749 CD LYS A 50 -8.274 9.601 7.762 1.00 0.00 C ATOM 750 CE LYS A 50 -8.167 11.058 8.178 1.00 0.00 C ATOM 751 NZ LYS A 50 -7.616 11.208 9.553 1.00 0.00 N ATOM 0 H LYS A 50 -5.848 7.156 4.339 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.720 9.799 5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.579 7.641 6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.958 7.296 6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.896 8.238 8.686 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.136 9.642 7.963 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.672 9.539 6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.980 9.087 8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.529 11.590 7.472 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.152 11.522 8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.822 12.164 9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.054 10.504 10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.587 11.061 9.532 1.00 0.00 H new ATOM 765 N ARG A 51 -3.643 8.842 5.274 1.00 0.00 N ATOM 766 CA ARG A 51 -2.278 9.250 5.585 1.00 0.00 C ATOM 767 C ARG A 51 -1.600 9.911 4.384 1.00 0.00 C ATOM 768 O ARG A 51 -0.643 10.669 4.545 1.00 0.00 O ATOM 769 CB ARG A 51 -1.459 8.042 6.048 1.00 0.00 C ATOM 770 CG ARG A 51 -1.258 7.986 7.554 1.00 0.00 C ATOM 771 CD ARG A 51 -0.609 9.258 8.076 1.00 0.00 C ATOM 772 NE ARG A 51 0.509 9.688 7.238 1.00 0.00 N ATOM 773 CZ ARG A 51 1.768 9.286 7.411 1.00 0.00 C ATOM 774 NH1 ARG A 51 2.074 8.430 8.379 1.00 0.00 N ATOM 775 NH2 ARG A 51 2.723 9.737 6.610 1.00 0.00 N ATOM 0 H ARG A 51 -3.713 8.055 4.629 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.327 9.985 6.389 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.957 7.129 5.722 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.485 8.065 5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.220 7.839 8.045 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.636 7.128 7.808 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.354 10.052 8.122 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.256 9.093 9.094 1.00 0.00 H new ATOM 0 HE ARG A 51 0.314 10.335 6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.343 8.076 8.996 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.040 8.127 8.505 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.494 10.391 5.862 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.687 9.430 6.742 1.00 0.00 H new ATOM 789 N CYS A 52 -2.091 9.620 3.182 1.00 0.00 N ATOM 790 CA CYS A 52 -1.516 10.192 1.968 1.00 0.00 C ATOM 791 C CYS A 52 -2.361 11.348 1.438 1.00 0.00 C ATOM 792 O CYS A 52 -1.865 12.202 0.704 1.00 0.00 O ATOM 793 CB CYS A 52 -1.375 9.117 0.887 1.00 0.00 C ATOM 794 SG CYS A 52 0.066 9.346 -0.207 1.00 0.00 S ATOM 0 H CYS A 52 -2.881 8.995 3.023 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.530 10.580 2.224 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.302 8.141 1.367 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -2.280 9.106 0.280 1.00 0.00 H new ATOM 799 N ALA A 53 -3.638 11.373 1.811 1.00 0.00 N ATOM 800 CA ALA A 53 -4.538 12.429 1.364 1.00 0.00 C ATOM 801 C ALA A 53 -4.677 13.520 2.420 1.00 0.00 C ATOM 802 O ALA A 53 -4.443 14.697 2.144 1.00 0.00 O ATOM 803 CB ALA A 53 -5.901 11.850 1.018 1.00 0.00 C ATOM 0 H ALA A 53 -4.070 10.677 2.419 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.109 12.881 0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.563 12.650 0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.792 11.115 0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.327 11.370 1.899 1.00 0.00 H new ATOM 809 N LYS A 54 -5.060 13.125 3.630 1.00 0.00 N ATOM 810 CA LYS A 54 -5.229 14.075 4.722 1.00 0.00 C ATOM 811 C LYS A 54 -3.889 14.407 5.371 1.00 0.00 C ATOM 812 O LYS A 54 -3.545 15.577 5.542 1.00 0.00 O ATOM 813 CB LYS A 54 -6.192 13.517 5.772 1.00 0.00 C ATOM 814 CG LYS A 54 -6.778 14.582 6.686 1.00 0.00 C ATOM 815 CD LYS A 54 -8.259 14.353 6.940 1.00 0.00 C ATOM 816 CE LYS A 54 -9.094 14.687 5.714 1.00 0.00 C ATOM 817 NZ LYS A 54 -9.165 16.154 5.474 1.00 0.00 N ATOM 0 H LYS A 54 -5.259 12.156 3.878 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.648 14.992 4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.005 12.996 5.267 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.668 12.778 6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.242 14.582 7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.633 15.565 6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.424 13.313 7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.584 14.966 7.781 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.667 14.196 4.839 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.101 14.291 5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.898 16.354 4.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.402 16.640 6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.245 16.494 5.128 1.00 0.00 H new ATOM 831 N ALA A 55 -3.136 13.373 5.728 1.00 0.00 N ATOM 832 CA ALA A 55 -1.833 13.557 6.356 1.00 0.00 C ATOM 833 C ALA A 55 -0.714 13.524 5.321 1.00 0.00 C ATOM 834 O ALA A 55 0.429 13.190 5.696 1.00 0.00 O ATOM 835 CB ALA A 55 -1.603 12.494 7.418 1.00 0.00 C ATOM 836 OXT ALA A 55 -0.990 13.833 4.142 1.00 0.00 O ATOM 0 H ALA A 55 -3.405 12.398 5.593 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.823 14.538 6.832 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.626 12.644 7.878 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.378 12.568 8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.639 11.506 6.958 1.00 0.00 H new