USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=10 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 45 GLN : amide:sc= 0.00283 X(o=0.0015,f=-0.22) USER MOD Set 1.2: A 49 MET CE :methyl -166:sc=-0.00132 (180deg=0) USER MOD Set 2.1: A 8 SER OG : rot 30:sc= -0.437 USER MOD Set 2.2: A 38 ASN : amide:sc= 0.276 K(o=-0.16,f=-8.5!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0502 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 73:sc= 0.848 USER MOD Single : A 21 TYR OH : rot 180:sc= -2.57 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -123:sc= 0.122 (180deg=0) USER MOD Single : A 32 TYR OH : rot 150:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -1.17 K(o=-1.2,f=-6.7!) USER MOD Single : A 41 LYS NZ :NH3+ 147:sc= -0.168 (180deg=-0.895) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 2 8.769 10.429 3.373 1.00 0.00 N ATOM 23 CA ASP A 2 9.359 9.579 2.343 1.00 0.00 C ATOM 24 C ASP A 2 8.510 8.336 2.092 1.00 0.00 C ATOM 25 O ASP A 2 8.477 7.811 0.980 1.00 0.00 O ATOM 26 CB ASP A 2 10.776 9.166 2.746 1.00 0.00 C ATOM 27 CG ASP A 2 11.512 8.457 1.625 1.00 0.00 C ATOM 28 OD1 ASP A 2 11.737 9.089 0.571 1.00 0.00 O ATOM 29 OD2 ASP A 2 11.862 7.271 1.801 1.00 0.00 O ATOM 0 HA ASP A 2 9.398 10.156 1.419 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.339 10.051 3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.727 8.511 3.616 1.00 0.00 H new ATOM 34 N THR A 3 7.828 7.867 3.132 1.00 0.00 N ATOM 35 CA THR A 3 6.982 6.681 3.026 1.00 0.00 C ATOM 36 C THR A 3 6.033 6.779 1.832 1.00 0.00 C ATOM 37 O THR A 3 5.882 5.825 1.068 1.00 0.00 O ATOM 38 CB THR A 3 6.181 6.487 4.314 1.00 0.00 C ATOM 39 OG1 THR A 3 6.950 6.861 5.443 1.00 0.00 O ATOM 40 CG2 THR A 3 5.722 5.060 4.522 1.00 0.00 C ATOM 0 H THR A 3 7.844 8.290 4.060 1.00 0.00 H new ATOM 0 HA THR A 3 7.632 5.820 2.872 1.00 0.00 H new ATOM 0 HB THR A 3 5.302 7.123 4.208 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.420 6.732 6.257 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.160 4.991 5.453 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.086 4.758 3.690 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.590 4.402 4.572 1.00 0.00 H new ATOM 48 N CYS A 4 5.397 7.936 1.675 1.00 0.00 N ATOM 49 CA CYS A 4 4.464 8.152 0.573 1.00 0.00 C ATOM 50 C CYS A 4 5.195 8.280 -0.764 1.00 0.00 C ATOM 51 O CYS A 4 4.565 8.333 -1.820 1.00 0.00 O ATOM 52 CB CYS A 4 3.621 9.404 0.829 1.00 0.00 C ATOM 53 SG CYS A 4 1.973 9.060 1.531 1.00 0.00 S ATOM 0 H CYS A 4 5.510 8.738 2.296 1.00 0.00 H new ATOM 0 HA CYS A 4 3.810 7.282 0.518 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.163 10.062 1.508 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.499 9.945 -0.109 1.00 0.00 H new ATOM 58 N ARG A 5 6.525 8.331 -0.719 1.00 0.00 N ATOM 59 CA ARG A 5 7.325 8.455 -1.932 1.00 0.00 C ATOM 60 C ARG A 5 7.931 7.112 -2.336 1.00 0.00 C ATOM 61 O ARG A 5 8.272 6.904 -3.501 1.00 0.00 O ATOM 62 CB ARG A 5 8.435 9.488 -1.732 1.00 0.00 C ATOM 63 CG ARG A 5 7.918 10.885 -1.429 1.00 0.00 C ATOM 64 CD ARG A 5 9.042 11.908 -1.425 1.00 0.00 C ATOM 65 NE ARG A 5 9.363 12.365 -0.075 1.00 0.00 N ATOM 66 CZ ARG A 5 10.191 13.372 0.192 1.00 0.00 C ATOM 67 NH1 ARG A 5 10.777 14.037 -0.796 1.00 0.00 N ATOM 68 NH2 ARG A 5 10.430 13.717 1.450 1.00 0.00 N ATOM 0 H ARG A 5 7.069 8.288 0.143 1.00 0.00 H new ATOM 0 HA ARG A 5 6.666 8.787 -2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.080 9.163 -0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.052 9.525 -2.630 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.171 11.166 -2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.420 10.887 -0.460 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.931 11.471 -1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.756 12.763 -2.038 1.00 0.00 H new ATOM 0 HE ARG A 5 8.926 11.883 0.711 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.593 13.777 -1.765 1.00 0.00 H new ATOM 0 HH12 ARG A 5 11.411 14.808 -0.586 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.979 13.211 2.212 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.065 14.489 1.655 1.00 0.00 H new ATOM 82 N LEU A 6 8.066 6.203 -1.373 1.00 0.00 N ATOM 83 CA LEU A 6 8.636 4.888 -1.646 1.00 0.00 C ATOM 84 C LEU A 6 7.545 3.891 -2.039 1.00 0.00 C ATOM 85 O LEU A 6 6.538 3.757 -1.343 1.00 0.00 O ATOM 86 CB LEU A 6 9.402 4.372 -0.423 1.00 0.00 C ATOM 87 CG LEU A 6 8.531 3.917 0.750 1.00 0.00 C ATOM 88 CD1 LEU A 6 8.139 2.455 0.590 1.00 0.00 C ATOM 89 CD2 LEU A 6 9.261 4.134 2.068 1.00 0.00 C ATOM 0 H LEU A 6 7.790 6.352 -0.402 1.00 0.00 H new ATOM 0 HA LEU A 6 9.329 4.988 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 6 10.029 3.537 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.070 5.160 -0.074 1.00 0.00 H new ATOM 0 HG LEU A 6 7.620 4.516 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.520 2.150 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.578 2.328 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.038 1.839 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.628 3.806 2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.187 3.559 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.491 5.193 2.187 1.00 0.00 H new ATOM 101 N PRO A 7 7.729 3.173 -3.163 1.00 0.00 N ATOM 102 CA PRO A 7 6.752 2.187 -3.636 1.00 0.00 C ATOM 103 C PRO A 7 6.741 0.928 -2.778 1.00 0.00 C ATOM 104 O PRO A 7 7.794 0.387 -2.439 1.00 0.00 O ATOM 105 CB PRO A 7 7.231 1.865 -5.052 1.00 0.00 C ATOM 106 CG PRO A 7 8.697 2.123 -5.021 1.00 0.00 C ATOM 107 CD PRO A 7 8.899 3.262 -4.059 1.00 0.00 C ATOM 0 HA PRO A 7 5.732 2.569 -3.594 1.00 0.00 H new ATOM 0 HB2 PRO A 7 7.016 0.830 -5.317 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.734 2.493 -5.791 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.242 1.237 -4.696 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.069 2.380 -6.013 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.834 3.160 -3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.936 4.221 -4.576 1.00 0.00 H new ATOM 115 N SER A 8 5.545 0.465 -2.428 1.00 0.00 N ATOM 116 CA SER A 8 5.400 -0.731 -1.607 1.00 0.00 C ATOM 117 C SER A 8 5.336 -1.985 -2.473 1.00 0.00 C ATOM 118 O SER A 8 4.552 -2.060 -3.418 1.00 0.00 O ATOM 119 CB SER A 8 4.143 -0.631 -0.740 1.00 0.00 C ATOM 120 OG SER A 8 4.469 -0.681 0.639 1.00 0.00 O ATOM 0 H SER A 8 4.663 0.900 -2.700 1.00 0.00 H new ATOM 0 HA SER A 8 6.275 -0.804 -0.961 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.619 0.299 -0.960 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.462 -1.446 -0.986 1.00 0.00 H new ATOM 0 HG SER A 8 5.364 -0.308 0.777 1.00 0.00 H new ATOM 126 N ASP A 9 6.163 -2.971 -2.138 1.00 0.00 N ATOM 127 CA ASP A 9 6.196 -4.225 -2.878 1.00 0.00 C ATOM 128 C ASP A 9 5.221 -5.227 -2.271 1.00 0.00 C ATOM 129 O ASP A 9 5.094 -5.320 -1.051 1.00 0.00 O ATOM 130 CB ASP A 9 7.610 -4.807 -2.879 1.00 0.00 C ATOM 131 CG ASP A 9 8.436 -4.319 -4.053 1.00 0.00 C ATOM 132 OD1 ASP A 9 7.896 -4.267 -5.178 1.00 0.00 O ATOM 133 OD2 ASP A 9 9.624 -3.991 -3.848 1.00 0.00 O ATOM 0 H ASP A 9 6.819 -2.924 -1.358 1.00 0.00 H new ATOM 0 HA ASP A 9 5.898 -4.024 -3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.111 -4.538 -1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.552 -5.895 -2.907 1.00 0.00 H new ATOM 138 N ARG A 10 4.527 -5.970 -3.125 1.00 0.00 N ATOM 139 CA ARG A 10 3.561 -6.955 -2.660 1.00 0.00 C ATOM 140 C ARG A 10 4.208 -8.324 -2.455 1.00 0.00 C ATOM 141 O ARG A 10 3.590 -9.231 -1.896 1.00 0.00 O ATOM 142 CB ARG A 10 2.403 -7.058 -3.650 1.00 0.00 C ATOM 143 CG ARG A 10 2.835 -7.393 -5.067 1.00 0.00 C ATOM 144 CD ARG A 10 1.636 -7.554 -5.985 1.00 0.00 C ATOM 145 NE ARG A 10 1.455 -8.939 -6.408 1.00 0.00 N ATOM 146 CZ ARG A 10 0.815 -9.301 -7.518 1.00 0.00 C ATOM 147 NH1 ARG A 10 0.279 -8.386 -8.316 1.00 0.00 N ATOM 148 NH2 ARG A 10 0.712 -10.585 -7.833 1.00 0.00 N ATOM 0 H ARG A 10 4.615 -5.909 -4.139 1.00 0.00 H new ATOM 0 HA ARG A 10 3.180 -6.623 -1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.707 -7.821 -3.302 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.860 -6.113 -3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.484 -6.604 -5.448 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.419 -8.313 -5.064 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.738 -7.211 -5.472 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.763 -6.920 -6.863 1.00 0.00 H new ATOM 0 HE ARG A 10 1.842 -9.675 -5.817 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.356 -7.396 -8.081 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.210 -8.672 -9.164 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.123 -11.294 -7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.222 -10.864 -8.683 1.00 0.00 H new ATOM 162 N GLY A 11 5.456 -8.466 -2.897 1.00 0.00 N ATOM 163 CA GLY A 11 6.162 -9.724 -2.741 1.00 0.00 C ATOM 164 C GLY A 11 5.444 -10.896 -3.382 1.00 0.00 C ATOM 165 O GLY A 11 4.229 -10.863 -3.576 1.00 0.00 O ATOM 0 H GLY A 11 5.990 -7.731 -3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.156 -9.632 -3.179 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.299 -9.927 -1.679 1.00 0.00 H new ATOM 169 N ARG A 12 6.202 -11.939 -3.703 1.00 0.00 N ATOM 170 CA ARG A 12 5.640 -13.137 -4.317 1.00 0.00 C ATOM 171 C ARG A 12 5.670 -14.314 -3.340 1.00 0.00 C ATOM 172 O ARG A 12 5.098 -15.369 -3.611 1.00 0.00 O ATOM 173 CB ARG A 12 6.410 -13.491 -5.592 1.00 0.00 C ATOM 174 CG ARG A 12 5.520 -13.641 -6.815 1.00 0.00 C ATOM 175 CD ARG A 12 6.271 -14.273 -7.976 1.00 0.00 C ATOM 176 NE ARG A 12 7.449 -13.496 -8.355 1.00 0.00 N ATOM 177 CZ ARG A 12 7.399 -12.388 -9.091 1.00 0.00 C ATOM 178 NH1 ARG A 12 6.235 -11.924 -9.530 1.00 0.00 N ATOM 179 NH2 ARG A 12 8.517 -11.740 -9.391 1.00 0.00 N ATOM 0 H ARG A 12 7.209 -11.979 -3.548 1.00 0.00 H new ATOM 0 HA ARG A 12 4.601 -12.932 -4.576 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.153 -12.717 -5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.954 -14.422 -5.432 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.654 -14.254 -6.563 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.142 -12.663 -7.114 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.576 -15.283 -7.703 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.604 -14.362 -8.834 1.00 0.00 H new ATOM 0 HE ARG A 12 8.362 -13.821 -8.037 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.371 -12.417 -9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.204 -11.074 -10.093 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.415 -12.091 -9.058 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.479 -10.891 -9.955 1.00 0.00 H new ATOM 193 N CYS A 13 6.351 -14.126 -2.207 1.00 0.00 N ATOM 194 CA CYS A 13 6.468 -15.171 -1.187 1.00 0.00 C ATOM 195 C CYS A 13 5.132 -15.880 -0.949 1.00 0.00 C ATOM 196 O CYS A 13 4.890 -16.956 -1.495 1.00 0.00 O ATOM 197 CB CYS A 13 7.000 -14.590 0.134 1.00 0.00 C ATOM 198 SG CYS A 13 6.549 -12.848 0.450 1.00 0.00 S ATOM 0 H CYS A 13 6.831 -13.257 -1.972 1.00 0.00 H new ATOM 0 HA CYS A 13 7.180 -15.908 -1.560 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.629 -15.200 0.957 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.087 -14.675 0.139 1.00 0.00 H new ATOM 203 N LYS A 14 4.271 -15.278 -0.133 1.00 0.00 N ATOM 204 CA LYS A 14 2.970 -15.861 0.168 1.00 0.00 C ATOM 205 C LYS A 14 1.846 -15.052 -0.473 1.00 0.00 C ATOM 206 O LYS A 14 0.872 -14.690 0.186 1.00 0.00 O ATOM 207 CB LYS A 14 2.761 -15.939 1.683 1.00 0.00 C ATOM 208 CG LYS A 14 3.479 -17.109 2.336 1.00 0.00 C ATOM 209 CD LYS A 14 4.757 -16.663 3.028 1.00 0.00 C ATOM 210 CE LYS A 14 5.842 -17.723 2.929 1.00 0.00 C ATOM 211 NZ LYS A 14 6.777 -17.671 4.087 1.00 0.00 N ATOM 0 H LYS A 14 4.452 -14.388 0.330 1.00 0.00 H new ATOM 0 HA LYS A 14 2.947 -16.868 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.108 -15.011 2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.694 -16.016 1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.818 -17.584 3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.715 -17.859 1.581 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.111 -15.735 2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.549 -16.450 4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.382 -18.710 2.878 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.402 -17.584 2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.502 -18.409 3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.236 -16.738 4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.248 -17.829 4.968 1.00 0.00 H new ATOM 225 N ALA A 15 1.989 -14.772 -1.765 1.00 0.00 N ATOM 226 CA ALA A 15 0.986 -14.006 -2.495 1.00 0.00 C ATOM 227 C ALA A 15 -0.381 -14.679 -2.420 1.00 0.00 C ATOM 228 O ALA A 15 -0.663 -15.620 -3.160 1.00 0.00 O ATOM 229 CB ALA A 15 1.411 -13.829 -3.946 1.00 0.00 C ATOM 0 H ALA A 15 2.789 -15.064 -2.327 1.00 0.00 H new ATOM 0 HA ALA A 15 0.904 -13.024 -2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.653 -13.255 -4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.362 -13.298 -3.984 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.522 -14.807 -4.414 1.00 0.00 H new ATOM 235 N SER A 16 -1.226 -14.188 -1.518 1.00 0.00 N ATOM 236 CA SER A 16 -2.564 -14.740 -1.344 1.00 0.00 C ATOM 237 C SER A 16 -3.489 -13.727 -0.677 1.00 0.00 C ATOM 238 O SER A 16 -4.437 -14.098 0.017 1.00 0.00 O ATOM 239 CB SER A 16 -2.505 -16.019 -0.507 1.00 0.00 C ATOM 240 OG SER A 16 -1.562 -15.900 0.543 1.00 0.00 O ATOM 0 H SER A 16 -1.007 -13.409 -0.897 1.00 0.00 H new ATOM 0 HA SER A 16 -2.963 -14.976 -2.331 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.490 -16.231 -0.092 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.239 -16.862 -1.145 1.00 0.00 H new ATOM 0 HG SER A 16 -1.918 -15.307 1.237 1.00 0.00 H new ATOM 246 N PHE A 17 -3.209 -12.444 -0.892 1.00 0.00 N ATOM 247 CA PHE A 17 -4.016 -11.378 -0.312 1.00 0.00 C ATOM 248 C PHE A 17 -3.909 -10.105 -1.145 1.00 0.00 C ATOM 249 O PHE A 17 -2.982 -9.947 -1.936 1.00 0.00 O ATOM 250 CB PHE A 17 -3.572 -11.098 1.124 1.00 0.00 C ATOM 251 CG PHE A 17 -3.630 -12.306 2.014 1.00 0.00 C ATOM 252 CD1 PHE A 17 -4.826 -12.703 2.590 1.00 0.00 C ATOM 253 CD2 PHE A 17 -2.488 -13.047 2.274 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.882 -13.815 3.409 1.00 0.00 C ATOM 255 CE2 PHE A 17 -2.538 -14.161 3.092 1.00 0.00 C ATOM 256 CZ PHE A 17 -3.737 -14.544 3.660 1.00 0.00 C ATOM 0 H PHE A 17 -2.429 -12.119 -1.464 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.056 -11.704 -0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.552 -10.713 1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.203 -10.315 1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.725 -12.137 2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.548 -12.751 1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.821 -14.113 3.852 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.641 -14.730 3.286 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.779 -15.413 4.300 1.00 0.00 H new ATOM 266 N GLU A 18 -4.865 -9.201 -0.961 1.00 0.00 N ATOM 267 CA GLU A 18 -4.875 -7.940 -1.693 1.00 0.00 C ATOM 268 C GLU A 18 -4.706 -6.765 -0.738 1.00 0.00 C ATOM 269 O GLU A 18 -5.319 -6.727 0.328 1.00 0.00 O ATOM 270 CB GLU A 18 -6.177 -7.793 -2.482 1.00 0.00 C ATOM 271 CG GLU A 18 -6.188 -8.571 -3.787 1.00 0.00 C ATOM 272 CD GLU A 18 -7.488 -9.318 -4.012 1.00 0.00 C ATOM 273 OE1 GLU A 18 -8.520 -8.897 -3.449 1.00 0.00 O ATOM 274 OE2 GLU A 18 -7.473 -10.325 -4.751 1.00 0.00 O ATOM 0 H GLU A 18 -5.643 -9.318 -0.311 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.039 -7.943 -2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.008 -8.129 -1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.345 -6.738 -2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.020 -7.884 -4.616 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.361 -9.281 -3.789 1.00 0.00 H new ATOM 281 N ARG A 19 -3.866 -5.808 -1.122 1.00 0.00 N ATOM 282 CA ARG A 19 -3.617 -4.639 -0.289 1.00 0.00 C ATOM 283 C ARG A 19 -3.592 -3.361 -1.121 1.00 0.00 C ATOM 284 O ARG A 19 -3.554 -3.407 -2.351 1.00 0.00 O ATOM 285 CB ARG A 19 -2.295 -4.799 0.464 1.00 0.00 C ATOM 286 CG ARG A 19 -2.466 -5.226 1.912 1.00 0.00 C ATOM 287 CD ARG A 19 -3.136 -6.587 2.018 1.00 0.00 C ATOM 288 NE ARG A 19 -2.549 -7.398 3.081 1.00 0.00 N ATOM 289 CZ ARG A 19 -3.167 -8.427 3.658 1.00 0.00 C ATOM 290 NH1 ARG A 19 -4.389 -8.776 3.276 1.00 0.00 N ATOM 291 NH2 ARG A 19 -2.560 -9.108 4.620 1.00 0.00 N ATOM 0 H ARG A 19 -3.349 -5.820 -2.001 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.433 -4.560 0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.679 -5.535 -0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.753 -3.854 0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.492 -5.260 2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.062 -4.484 2.443 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.201 -6.454 2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.045 -7.112 1.067 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.610 -7.162 3.401 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.860 -8.255 2.536 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.857 -9.565 3.722 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.621 -8.844 4.917 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.032 -9.896 5.063 1.00 0.00 H new ATOM 305 N TRP A 20 -3.612 -2.221 -0.436 1.00 0.00 N ATOM 306 CA TRP A 20 -3.589 -0.923 -1.101 1.00 0.00 C ATOM 307 C TRP A 20 -2.259 -0.214 -0.860 1.00 0.00 C ATOM 308 O TRP A 20 -1.634 -0.383 0.185 1.00 0.00 O ATOM 309 CB TRP A 20 -4.743 -0.051 -0.605 1.00 0.00 C ATOM 310 CG TRP A 20 -6.094 -0.622 -0.916 1.00 0.00 C ATOM 311 CD1 TRP A 20 -6.820 -1.478 -0.139 1.00 0.00 C ATOM 312 CD2 TRP A 20 -6.879 -0.379 -2.088 1.00 0.00 C ATOM 313 NE1 TRP A 20 -8.008 -1.782 -0.756 1.00 0.00 N ATOM 314 CE2 TRP A 20 -8.068 -1.120 -1.954 1.00 0.00 C ATOM 315 CE3 TRP A 20 -6.695 0.394 -3.238 1.00 0.00 C ATOM 316 CZ2 TRP A 20 -9.064 -1.113 -2.923 1.00 0.00 C ATOM 317 CZ3 TRP A 20 -7.687 0.401 -4.202 1.00 0.00 C ATOM 318 CH2 TRP A 20 -8.859 -0.348 -4.038 1.00 0.00 C ATOM 0 H TRP A 20 -3.644 -2.171 0.582 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.704 -1.088 -2.172 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.652 0.082 0.473 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.662 0.938 -1.056 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -6.506 -1.860 0.821 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.729 -2.400 -0.383 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.795 0.975 -3.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -9.968 -1.691 -2.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -7.556 0.993 -5.095 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -9.616 -0.321 -4.808 1.00 0.00 H new ATOM 329 N TYR A 21 -1.833 0.573 -1.839 1.00 0.00 N ATOM 330 CA TYR A 21 -0.574 1.307 -1.747 1.00 0.00 C ATOM 331 C TYR A 21 -0.704 2.664 -2.428 1.00 0.00 C ATOM 332 O TYR A 21 -1.038 2.746 -3.610 1.00 0.00 O ATOM 333 CB TYR A 21 0.560 0.500 -2.395 1.00 0.00 C ATOM 334 CG TYR A 21 0.128 -0.236 -3.642 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.794 -1.269 -3.570 1.00 0.00 C ATOM 336 CD2 TYR A 21 0.620 0.118 -4.892 1.00 0.00 C ATOM 337 CE1 TYR A 21 -1.220 -1.927 -4.702 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.205 -0.543 -6.033 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.720 -1.562 -5.933 1.00 0.00 C ATOM 340 OH TYR A 21 -1.165 -2.204 -7.067 1.00 0.00 O ATOM 0 H TYR A 21 -2.342 0.721 -2.710 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.338 1.463 -0.694 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.380 1.173 -2.644 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.945 -0.219 -1.672 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.186 -1.563 -2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.337 0.921 -4.974 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.943 -2.726 -4.625 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.603 -0.263 -6.997 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.715 -1.829 -7.853 1.00 0.00 H new ATOM 350 N PHE A 22 -0.445 3.729 -1.677 1.00 0.00 N ATOM 351 CA PHE A 22 -0.544 5.082 -2.222 1.00 0.00 C ATOM 352 C PHE A 22 0.696 5.439 -3.033 1.00 0.00 C ATOM 353 O PHE A 22 1.796 5.553 -2.492 1.00 0.00 O ATOM 354 CB PHE A 22 -0.759 6.115 -1.110 1.00 0.00 C ATOM 355 CG PHE A 22 -0.067 5.788 0.184 1.00 0.00 C ATOM 356 CD1 PHE A 22 1.283 6.050 0.351 1.00 0.00 C ATOM 357 CD2 PHE A 22 -0.771 5.223 1.234 1.00 0.00 C ATOM 358 CE1 PHE A 22 1.917 5.755 1.543 1.00 0.00 C ATOM 359 CE2 PHE A 22 -0.143 4.925 2.427 1.00 0.00 C ATOM 360 CZ PHE A 22 1.203 5.191 2.582 1.00 0.00 C ATOM 0 H PHE A 22 -0.167 3.685 -0.697 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.410 5.102 -2.884 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.408 7.086 -1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.828 6.211 -0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.846 6.490 -0.459 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.824 5.013 1.118 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.970 5.965 1.662 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.704 4.484 3.238 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.697 4.958 3.514 1.00 0.00 H new ATOM 370 N ASN A 23 0.507 5.618 -4.338 1.00 0.00 N ATOM 371 CA ASN A 23 1.605 5.968 -5.232 1.00 0.00 C ATOM 372 C ASN A 23 1.735 7.482 -5.362 1.00 0.00 C ATOM 373 O ASN A 23 1.316 8.068 -6.361 1.00 0.00 O ATOM 374 CB ASN A 23 1.389 5.342 -6.610 1.00 0.00 C ATOM 375 CG ASN A 23 2.693 5.003 -7.303 1.00 0.00 C ATOM 376 OD1 ASN A 23 3.519 4.261 -6.769 1.00 0.00 O ATOM 377 ND2 ASN A 23 2.888 5.546 -8.499 1.00 0.00 N ATOM 0 H ASN A 23 -0.398 5.526 -4.799 1.00 0.00 H new ATOM 0 HA ASN A 23 2.528 5.576 -4.805 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.791 4.437 -6.505 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.818 6.031 -7.233 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.748 5.354 -9.012 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.177 6.155 -8.905 1.00 0.00 H new ATOM 384 N GLY A 24 2.317 8.109 -4.347 1.00 0.00 N ATOM 385 CA GLY A 24 2.493 9.549 -4.366 1.00 0.00 C ATOM 386 C GLY A 24 1.212 10.296 -4.050 1.00 0.00 C ATOM 387 O GLY A 24 1.131 11.005 -3.048 1.00 0.00 O ATOM 0 H GLY A 24 2.671 7.645 -3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.260 9.827 -3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.855 9.854 -5.348 1.00 0.00 H new ATOM 391 N ARG A 25 0.211 10.141 -4.911 1.00 0.00 N ATOM 392 CA ARG A 25 -1.069 10.814 -4.719 1.00 0.00 C ATOM 393 C ARG A 25 -2.243 9.869 -4.976 1.00 0.00 C ATOM 394 O ARG A 25 -3.274 9.955 -4.310 1.00 0.00 O ATOM 395 CB ARG A 25 -1.173 12.030 -5.641 1.00 0.00 C ATOM 396 CG ARG A 25 -0.687 11.764 -7.057 1.00 0.00 C ATOM 397 CD ARG A 25 0.747 12.231 -7.253 1.00 0.00 C ATOM 398 NE ARG A 25 0.934 12.897 -8.540 1.00 0.00 N ATOM 399 CZ ARG A 25 0.352 14.048 -8.871 1.00 0.00 C ATOM 400 NH1 ARG A 25 -0.455 14.662 -8.014 1.00 0.00 N ATOM 401 NH2 ARG A 25 0.577 14.585 -10.062 1.00 0.00 N ATOM 0 H ARG A 25 0.261 9.557 -5.746 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.117 11.141 -3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.211 12.359 -5.678 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.594 12.849 -5.215 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.756 10.698 -7.272 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.337 12.275 -7.767 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.019 12.914 -6.448 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.419 11.376 -7.186 1.00 0.00 H new ATOM 0 HE ARG A 25 1.546 12.454 -9.225 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.632 14.252 -7.097 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.898 15.543 -8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.196 14.116 -10.724 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.132 15.467 -10.316 1.00 0.00 H new ATOM 415 N THR A 26 -2.085 8.974 -5.946 1.00 0.00 N ATOM 416 CA THR A 26 -3.141 8.026 -6.285 1.00 0.00 C ATOM 417 C THR A 26 -2.900 6.672 -5.624 1.00 0.00 C ATOM 418 O THR A 26 -1.757 6.273 -5.404 1.00 0.00 O ATOM 419 CB THR A 26 -3.234 7.855 -7.802 1.00 0.00 C ATOM 420 OG1 THR A 26 -3.284 9.116 -8.446 1.00 0.00 O ATOM 421 CG2 THR A 26 -4.448 7.067 -8.243 1.00 0.00 C ATOM 0 H THR A 26 -1.239 8.885 -6.509 1.00 0.00 H new ATOM 0 HA THR A 26 -4.083 8.427 -5.911 1.00 0.00 H new ATOM 0 HB THR A 26 -2.339 7.301 -8.085 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.342 8.986 -9.416 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.452 6.983 -9.330 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.415 6.071 -7.802 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.353 7.579 -7.915 1.00 0.00 H new ATOM 429 N CYS A 27 -3.986 5.970 -5.314 1.00 0.00 N ATOM 430 CA CYS A 27 -3.894 4.660 -4.682 1.00 0.00 C ATOM 431 C CYS A 27 -3.829 3.557 -5.735 1.00 0.00 C ATOM 432 O CYS A 27 -4.030 3.807 -6.923 1.00 0.00 O ATOM 433 CB CYS A 27 -5.089 4.433 -3.753 1.00 0.00 C ATOM 434 SG CYS A 27 -4.746 3.311 -2.357 1.00 0.00 S ATOM 0 H CYS A 27 -4.939 6.287 -5.491 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.978 4.628 -4.092 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.417 5.395 -3.359 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.916 4.028 -4.336 1.00 0.00 H new ATOM 439 N ALA A 28 -3.534 2.339 -5.291 1.00 0.00 N ATOM 440 CA ALA A 28 -3.428 1.200 -6.194 1.00 0.00 C ATOM 441 C ALA A 28 -3.790 -0.103 -5.481 1.00 0.00 C ATOM 442 O ALA A 28 -4.072 -0.103 -4.283 1.00 0.00 O ATOM 443 CB ALA A 28 -2.034 1.133 -6.789 1.00 0.00 C ATOM 0 H ALA A 28 -3.364 2.116 -4.310 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.142 1.335 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.966 0.278 -7.462 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.831 2.049 -7.344 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.302 1.024 -5.989 1.00 0.00 H new ATOM 449 N LYS A 29 -3.797 -1.209 -6.223 1.00 0.00 N ATOM 450 CA LYS A 29 -4.147 -2.508 -5.652 1.00 0.00 C ATOM 451 C LYS A 29 -3.357 -3.632 -6.313 1.00 0.00 C ATOM 452 O LYS A 29 -3.119 -3.612 -7.522 1.00 0.00 O ATOM 453 CB LYS A 29 -5.648 -2.766 -5.804 1.00 0.00 C ATOM 454 CG LYS A 29 -6.266 -3.475 -4.608 1.00 0.00 C ATOM 455 CD LYS A 29 -7.324 -4.479 -5.039 1.00 0.00 C ATOM 456 CE LYS A 29 -8.726 -3.986 -4.718 1.00 0.00 C ATOM 457 NZ LYS A 29 -9.197 -4.472 -3.392 1.00 0.00 N ATOM 0 H LYS A 29 -3.565 -1.232 -7.216 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.891 -2.489 -4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.158 -1.815 -5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.817 -3.365 -6.699 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.486 -3.987 -4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.712 -2.739 -3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.238 -4.662 -6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.149 -5.431 -4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.739 -2.896 -4.730 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.415 -4.322 -5.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.087 -4.997 -3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.478 -5.098 -2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.356 -3.661 -2.761 1.00 0.00 H new ATOM 471 N PHE A 30 -2.948 -4.608 -5.510 1.00 0.00 N ATOM 472 CA PHE A 30 -2.175 -5.738 -6.010 1.00 0.00 C ATOM 473 C PHE A 30 -2.222 -6.912 -5.032 1.00 0.00 C ATOM 474 O PHE A 30 -2.818 -6.810 -3.959 1.00 0.00 O ATOM 475 CB PHE A 30 -0.731 -5.313 -6.300 1.00 0.00 C ATOM 476 CG PHE A 30 0.022 -4.741 -5.122 1.00 0.00 C ATOM 477 CD1 PHE A 30 -0.540 -4.692 -3.852 1.00 0.00 C ATOM 478 CD2 PHE A 30 1.305 -4.245 -5.296 1.00 0.00 C ATOM 479 CE1 PHE A 30 0.165 -4.163 -2.787 1.00 0.00 C ATOM 480 CE2 PHE A 30 2.012 -3.715 -4.234 1.00 0.00 C ATOM 481 CZ PHE A 30 1.442 -3.675 -2.979 1.00 0.00 C ATOM 0 H PHE A 30 -3.139 -4.639 -4.509 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.624 -6.073 -6.945 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.183 -6.178 -6.675 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.741 -4.571 -7.099 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.539 -5.072 -3.695 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.758 -4.273 -6.276 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.283 -4.132 -1.805 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.010 -3.332 -4.387 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.994 -3.262 -2.147 1.00 0.00 H new ATOM 491 N ILE A 31 -1.613 -8.035 -5.410 1.00 0.00 N ATOM 492 CA ILE A 31 -1.619 -9.220 -4.561 1.00 0.00 C ATOM 493 C ILE A 31 -0.433 -9.222 -3.601 1.00 0.00 C ATOM 494 O ILE A 31 0.694 -9.525 -3.988 1.00 0.00 O ATOM 495 CB ILE A 31 -1.588 -10.506 -5.407 1.00 0.00 C ATOM 496 CG1 ILE A 31 -2.741 -10.508 -6.412 1.00 0.00 C ATOM 497 CG2 ILE A 31 -1.655 -11.739 -4.515 1.00 0.00 C ATOM 498 CD1 ILE A 31 -4.108 -10.508 -5.763 1.00 0.00 C ATOM 0 H ILE A 31 -1.113 -8.147 -6.292 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.542 -9.193 -3.982 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.647 -10.534 -5.957 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.653 -9.633 -7.055 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.652 -11.385 -7.053 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.632 -12.637 -5.133 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.802 -11.744 -3.836 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.579 -11.720 -3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.877 -10.509 -6.535 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.216 -11.397 -5.142 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.217 -9.617 -5.144 1.00 0.00 H new ATOM 510 N TYR A 32 -0.708 -8.882 -2.344 1.00 0.00 N ATOM 511 CA TYR A 32 0.319 -8.836 -1.309 1.00 0.00 C ATOM 512 C TYR A 32 0.457 -10.186 -0.615 1.00 0.00 C ATOM 513 O TYR A 32 -0.532 -10.777 -0.178 1.00 0.00 O ATOM 514 CB TYR A 32 -0.023 -7.752 -0.283 1.00 0.00 C ATOM 515 CG TYR A 32 0.961 -7.658 0.863 1.00 0.00 C ATOM 516 CD1 TYR A 32 0.807 -8.441 2.001 1.00 0.00 C ATOM 517 CD2 TYR A 32 2.040 -6.785 0.809 1.00 0.00 C ATOM 518 CE1 TYR A 32 1.700 -8.356 3.051 1.00 0.00 C ATOM 519 CE2 TYR A 32 2.938 -6.695 1.855 1.00 0.00 C ATOM 520 CZ TYR A 32 2.763 -7.482 2.974 1.00 0.00 C ATOM 521 OH TYR A 32 3.656 -7.395 4.018 1.00 0.00 O ATOM 0 H TYR A 32 -1.641 -8.633 -2.017 1.00 0.00 H new ATOM 0 HA TYR A 32 1.272 -8.598 -1.782 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.069 -6.788 -0.790 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.017 -7.948 0.120 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.025 -9.127 2.065 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.179 -6.166 -0.065 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.566 -8.971 3.928 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.773 -6.012 1.797 1.00 0.00 H new ATOM 0 HH TYR A 32 4.540 -7.150 3.673 1.00 0.00 H new ATOM 531 N GLY A 33 1.692 -10.668 -0.521 1.00 0.00 N ATOM 532 CA GLY A 33 1.946 -11.944 0.117 1.00 0.00 C ATOM 533 C GLY A 33 2.632 -11.798 1.462 1.00 0.00 C ATOM 534 O GLY A 33 2.401 -12.594 2.372 1.00 0.00 O ATOM 0 H GLY A 33 2.523 -10.195 -0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.003 -12.473 0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.566 -12.556 -0.538 1.00 0.00 H new ATOM 538 N GLY A 34 3.476 -10.777 1.591 1.00 0.00 N ATOM 539 CA GLY A 34 4.178 -10.556 2.843 1.00 0.00 C ATOM 540 C GLY A 34 5.545 -9.918 2.662 1.00 0.00 C ATOM 541 O GLY A 34 6.138 -9.437 3.627 1.00 0.00 O ATOM 0 H GLY A 34 3.685 -10.103 0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.570 -9.919 3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.295 -11.509 3.359 1.00 0.00 H new ATOM 545 N CYS A 35 6.053 -9.916 1.432 1.00 0.00 N ATOM 546 CA CYS A 35 7.361 -9.334 1.153 1.00 0.00 C ATOM 547 C CYS A 35 7.231 -8.011 0.401 1.00 0.00 C ATOM 548 O CYS A 35 6.793 -7.977 -0.750 1.00 0.00 O ATOM 549 CB CYS A 35 8.220 -10.313 0.348 1.00 0.00 C ATOM 550 SG CYS A 35 8.292 -11.993 1.049 1.00 0.00 S ATOM 0 H CYS A 35 5.581 -10.309 0.617 1.00 0.00 H new ATOM 0 HA CYS A 35 7.847 -9.135 2.108 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.829 -10.372 -0.668 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.233 -9.917 0.277 1.00 0.00 H new ATOM 555 N GLY A 36 7.621 -6.923 1.060 1.00 0.00 N ATOM 556 CA GLY A 36 7.546 -5.612 0.441 1.00 0.00 C ATOM 557 C GLY A 36 6.564 -4.686 1.137 1.00 0.00 C ATOM 558 O GLY A 36 6.107 -3.706 0.550 1.00 0.00 O ATOM 0 H GLY A 36 7.988 -6.927 2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.536 -5.155 0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.254 -5.725 -0.603 1.00 0.00 H new ATOM 562 N GLY A 37 6.241 -4.993 2.390 1.00 0.00 N ATOM 563 CA GLY A 37 5.312 -4.168 3.138 1.00 0.00 C ATOM 564 C GLY A 37 5.995 -3.367 4.228 1.00 0.00 C ATOM 565 O GLY A 37 6.372 -3.912 5.265 1.00 0.00 O ATOM 0 H GLY A 37 6.606 -5.798 2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.805 -3.487 2.455 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.546 -4.802 3.584 1.00 0.00 H new ATOM 569 N ASN A 38 6.159 -2.068 3.992 1.00 0.00 N ATOM 570 CA ASN A 38 6.804 -1.191 4.964 1.00 0.00 C ATOM 571 C ASN A 38 5.816 -0.165 5.516 1.00 0.00 C ATOM 572 O ASN A 38 5.231 -0.368 6.580 1.00 0.00 O ATOM 573 CB ASN A 38 8.013 -0.483 4.337 1.00 0.00 C ATOM 574 CG ASN A 38 7.866 -0.273 2.842 1.00 0.00 C ATOM 575 OD1 ASN A 38 6.797 0.104 2.358 1.00 0.00 O ATOM 576 ND2 ASN A 38 8.940 -0.517 2.101 1.00 0.00 N ATOM 0 H ASN A 38 5.855 -1.601 3.138 1.00 0.00 H new ATOM 0 HA ASN A 38 7.153 -1.808 5.792 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.153 0.483 4.822 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.911 -1.070 4.529 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.900 -0.394 1.089 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.805 -0.828 2.543 1.00 0.00 H new ATOM 583 N GLY A 39 5.634 0.939 4.795 1.00 0.00 N ATOM 584 CA GLY A 39 4.716 1.971 5.245 1.00 0.00 C ATOM 585 C GLY A 39 3.875 2.557 4.123 1.00 0.00 C ATOM 586 O GLY A 39 3.059 3.446 4.360 1.00 0.00 O ATOM 0 H GLY A 39 6.104 1.136 3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.056 1.554 6.005 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.284 2.771 5.720 1.00 0.00 H new ATOM 590 N ASN A 40 4.070 2.068 2.901 1.00 0.00 N ATOM 591 CA ASN A 40 3.319 2.565 1.753 1.00 0.00 C ATOM 592 C ASN A 40 2.076 1.716 1.495 1.00 0.00 C ATOM 593 O ASN A 40 1.107 2.185 0.895 1.00 0.00 O ATOM 594 CB ASN A 40 4.209 2.586 0.508 1.00 0.00 C ATOM 595 CG ASN A 40 3.488 3.122 -0.713 1.00 0.00 C ATOM 596 OD1 ASN A 40 2.843 2.372 -1.446 1.00 0.00 O ATOM 597 ND2 ASN A 40 3.595 4.426 -0.938 1.00 0.00 N ATOM 0 H ASN A 40 4.740 1.331 2.681 1.00 0.00 H new ATOM 0 HA ASN A 40 2.994 3.581 1.978 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.089 3.199 0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.564 1.576 0.302 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.132 4.844 -1.745 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.140 5.010 -0.304 1.00 0.00 H new ATOM 604 N LYS A 41 2.110 0.464 1.945 1.00 0.00 N ATOM 605 CA LYS A 41 0.985 -0.445 1.757 1.00 0.00 C ATOM 606 C LYS A 41 -0.032 -0.302 2.885 1.00 0.00 C ATOM 607 O LYS A 41 0.261 0.283 3.928 1.00 0.00 O ATOM 608 CB LYS A 41 1.478 -1.891 1.682 1.00 0.00 C ATOM 609 CG LYS A 41 2.177 -2.360 2.949 1.00 0.00 C ATOM 610 CD LYS A 41 1.799 -3.790 3.297 1.00 0.00 C ATOM 611 CE LYS A 41 1.611 -3.969 4.795 1.00 0.00 C ATOM 612 NZ LYS A 41 0.561 -3.062 5.336 1.00 0.00 N ATOM 0 H LYS A 41 2.903 0.058 2.441 1.00 0.00 H new ATOM 0 HA LYS A 41 0.496 -0.183 0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.630 -2.546 1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.164 -1.990 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.257 -2.290 2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.913 -1.701 3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.879 -4.060 2.779 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.575 -4.469 2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.340 -5.004 5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.555 -3.776 5.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.070 -3.530 6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.002 -2.184 5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.124 -2.837 4.586 1.00 0.00 H new ATOM 626 N PHE A 42 -1.228 -0.840 2.667 1.00 0.00 N ATOM 627 CA PHE A 42 -2.291 -0.775 3.664 1.00 0.00 C ATOM 628 C PHE A 42 -3.404 -1.772 3.337 1.00 0.00 C ATOM 629 O PHE A 42 -3.766 -1.947 2.173 1.00 0.00 O ATOM 630 CB PHE A 42 -2.861 0.642 3.741 1.00 0.00 C ATOM 631 CG PHE A 42 -2.321 1.440 4.892 1.00 0.00 C ATOM 632 CD1 PHE A 42 -2.796 1.233 6.178 1.00 0.00 C ATOM 633 CD2 PHE A 42 -1.338 2.396 4.691 1.00 0.00 C ATOM 634 CE1 PHE A 42 -2.300 1.964 7.241 1.00 0.00 C ATOM 635 CE2 PHE A 42 -0.839 3.130 5.750 1.00 0.00 C ATOM 636 CZ PHE A 42 -1.321 2.914 7.027 1.00 0.00 C ATOM 0 H PHE A 42 -1.485 -1.326 1.808 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.866 -1.038 4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.641 1.165 2.811 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.946 0.585 3.825 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.562 0.492 6.351 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.958 2.569 3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.678 1.792 8.238 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -0.073 3.872 5.580 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.933 3.487 7.856 1.00 0.00 H new ATOM 646 N PRO A 43 -3.958 -2.449 4.359 1.00 0.00 N ATOM 647 CA PRO A 43 -5.027 -3.436 4.167 1.00 0.00 C ATOM 648 C PRO A 43 -6.272 -2.845 3.511 1.00 0.00 C ATOM 649 O PRO A 43 -6.845 -3.441 2.598 1.00 0.00 O ATOM 650 CB PRO A 43 -5.353 -3.904 5.590 1.00 0.00 C ATOM 651 CG PRO A 43 -4.151 -3.558 6.398 1.00 0.00 C ATOM 652 CD PRO A 43 -3.584 -2.313 5.778 1.00 0.00 C ATOM 0 HA PRO A 43 -4.709 -4.237 3.499 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.243 -3.406 5.974 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.551 -4.976 5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.417 -3.389 7.441 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.423 -4.369 6.382 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.007 -1.412 6.222 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.503 -2.254 5.907 1.00 0.00 H new ATOM 660 N THR A 44 -6.698 -1.678 3.987 1.00 0.00 N ATOM 661 CA THR A 44 -7.887 -1.024 3.448 1.00 0.00 C ATOM 662 C THR A 44 -7.537 0.276 2.732 1.00 0.00 C ATOM 663 O THR A 44 -6.594 0.975 3.108 1.00 0.00 O ATOM 664 CB THR A 44 -8.889 -0.746 4.568 1.00 0.00 C ATOM 665 OG1 THR A 44 -8.226 -0.279 5.730 1.00 0.00 O ATOM 666 CG2 THR A 44 -9.701 -1.961 4.961 1.00 0.00 C ATOM 0 H THR A 44 -6.240 -1.167 4.742 1.00 0.00 H new ATOM 0 HA THR A 44 -8.334 -1.700 2.719 1.00 0.00 H new ATOM 0 HB THR A 44 -9.566 0.009 4.168 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.884 -0.105 6.435 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.392 -1.694 5.760 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.264 -2.317 4.098 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.032 -2.749 5.308 1.00 0.00 H new ATOM 674 N GLN A 45 -8.312 0.596 1.700 1.00 0.00 N ATOM 675 CA GLN A 45 -8.099 1.815 0.928 1.00 0.00 C ATOM 676 C GLN A 45 -8.314 3.051 1.796 1.00 0.00 C ATOM 677 O GLN A 45 -7.743 4.110 1.536 1.00 0.00 O ATOM 678 CB GLN A 45 -9.043 1.850 -0.275 1.00 0.00 C ATOM 679 CG GLN A 45 -8.809 3.036 -1.197 1.00 0.00 C ATOM 680 CD GLN A 45 -10.085 3.516 -1.862 1.00 0.00 C ATOM 681 OE1 GLN A 45 -10.668 4.523 -1.458 1.00 0.00 O ATOM 682 NE2 GLN A 45 -10.525 2.797 -2.887 1.00 0.00 N ATOM 0 H GLN A 45 -9.095 0.026 1.379 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.069 1.818 0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.926 0.928 -0.845 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.073 1.875 0.082 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.371 3.855 -0.626 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.086 2.759 -1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.010 1.970 -3.188 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.378 3.072 -3.374 1.00 0.00 H new ATOM 691 N GLU A 46 -9.139 2.907 2.831 1.00 0.00 N ATOM 692 CA GLU A 46 -9.426 4.014 3.738 1.00 0.00 C ATOM 693 C GLU A 46 -8.138 4.569 4.334 1.00 0.00 C ATOM 694 O GLU A 46 -7.963 5.783 4.440 1.00 0.00 O ATOM 695 CB GLU A 46 -10.364 3.556 4.856 1.00 0.00 C ATOM 696 CG GLU A 46 -10.931 4.699 5.681 1.00 0.00 C ATOM 697 CD GLU A 46 -12.120 4.278 6.522 1.00 0.00 C ATOM 698 OE1 GLU A 46 -13.254 4.298 5.999 1.00 0.00 O ATOM 699 OE2 GLU A 46 -11.918 3.927 7.703 1.00 0.00 O ATOM 0 H GLU A 46 -9.619 2.037 3.061 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.914 4.804 3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.187 2.991 4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.825 2.876 5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.151 5.093 6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.230 5.509 5.016 1.00 0.00 H new ATOM 706 N ALA A 47 -7.236 3.671 4.715 1.00 0.00 N ATOM 707 CA ALA A 47 -5.958 4.068 5.292 1.00 0.00 C ATOM 708 C ALA A 47 -5.044 4.668 4.228 1.00 0.00 C ATOM 709 O ALA A 47 -4.169 5.478 4.531 1.00 0.00 O ATOM 710 CB ALA A 47 -5.287 2.875 5.954 1.00 0.00 C ATOM 0 H ALA A 47 -7.367 2.663 4.634 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.146 4.831 6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.333 3.185 6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.930 2.488 6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.116 2.096 5.212 1.00 0.00 H new ATOM 716 N CYS A 48 -5.255 4.258 2.981 1.00 0.00 N ATOM 717 CA CYS A 48 -4.451 4.744 1.865 1.00 0.00 C ATOM 718 C CYS A 48 -4.745 6.214 1.565 1.00 0.00 C ATOM 719 O CYS A 48 -3.880 6.941 1.077 1.00 0.00 O ATOM 720 CB CYS A 48 -4.718 3.888 0.621 1.00 0.00 C ATOM 721 SG CYS A 48 -3.982 4.528 -0.920 1.00 0.00 S ATOM 0 H CYS A 48 -5.978 3.589 2.718 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.400 4.664 2.143 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.335 2.883 0.800 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.796 3.799 0.483 1.00 0.00 H new ATOM 726 N MET A 49 -5.971 6.645 1.845 1.00 0.00 N ATOM 727 CA MET A 49 -6.372 8.024 1.588 1.00 0.00 C ATOM 728 C MET A 49 -6.083 8.929 2.784 1.00 0.00 C ATOM 729 O MET A 49 -5.509 10.007 2.634 1.00 0.00 O ATOM 730 CB MET A 49 -7.860 8.084 1.236 1.00 0.00 C ATOM 731 CG MET A 49 -8.129 8.126 -0.259 1.00 0.00 C ATOM 732 SD MET A 49 -7.390 6.734 -1.137 1.00 0.00 S ATOM 733 CE MET A 49 -8.475 6.614 -2.556 1.00 0.00 C ATOM 0 H MET A 49 -6.703 6.061 2.249 1.00 0.00 H new ATOM 0 HA MET A 49 -5.784 8.387 0.745 1.00 0.00 H new ATOM 0 HB2 MET A 49 -8.361 7.215 1.663 1.00 0.00 H new ATOM 0 HB3 MET A 49 -8.300 8.966 1.701 1.00 0.00 H new ATOM 0 HG2 MET A 49 -9.205 8.129 -0.431 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.738 9.058 -0.669 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.310 5.662 -3.061 1.00 0.00 H new ATOM 0 HE2 MET A 49 -9.512 6.675 -2.227 1.00 0.00 H new ATOM 0 HE3 MET A 49 -8.264 7.432 -3.245 1.00 0.00 H new ATOM 743 N LYS A 50 -6.494 8.495 3.969 1.00 0.00 N ATOM 744 CA LYS A 50 -6.286 9.281 5.182 1.00 0.00 C ATOM 745 C LYS A 50 -4.805 9.381 5.552 1.00 0.00 C ATOM 746 O LYS A 50 -4.439 10.132 6.457 1.00 0.00 O ATOM 747 CB LYS A 50 -7.071 8.675 6.346 1.00 0.00 C ATOM 748 CG LYS A 50 -6.551 7.320 6.790 1.00 0.00 C ATOM 749 CD LYS A 50 -7.394 6.739 7.913 1.00 0.00 C ATOM 750 CE LYS A 50 -7.121 7.442 9.233 1.00 0.00 C ATOM 751 NZ LYS A 50 -7.694 6.697 10.388 1.00 0.00 N ATOM 0 H LYS A 50 -6.972 7.606 4.117 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.648 10.289 4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.039 9.362 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.117 8.576 6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.550 6.634 5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.518 7.417 7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.451 6.831 7.662 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.182 5.675 8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.045 7.552 9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.543 8.446 9.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.486 7.209 11.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.724 6.614 10.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.273 5.747 10.432 1.00 0.00 H new ATOM 765 N ARG A 51 -3.954 8.624 4.863 1.00 0.00 N ATOM 766 CA ARG A 51 -2.524 8.643 5.148 1.00 0.00 C ATOM 767 C ARG A 51 -1.753 9.459 4.113 1.00 0.00 C ATOM 768 O ARG A 51 -0.908 10.282 4.469 1.00 0.00 O ATOM 769 CB ARG A 51 -1.972 7.218 5.197 1.00 0.00 C ATOM 770 CG ARG A 51 -0.607 7.118 5.862 1.00 0.00 C ATOM 771 CD ARG A 51 -0.682 6.396 7.198 1.00 0.00 C ATOM 772 NE ARG A 51 -1.836 6.819 7.989 1.00 0.00 N ATOM 773 CZ ARG A 51 -2.182 6.270 9.151 1.00 0.00 C ATOM 774 NH1 ARG A 51 -1.460 5.281 9.666 1.00 0.00 N ATOM 775 NH2 ARG A 51 -3.248 6.713 9.803 1.00 0.00 N ATOM 0 H ARG A 51 -4.229 7.994 4.109 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.391 9.118 6.120 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.676 6.582 5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.902 6.829 4.181 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.081 6.590 5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.201 8.119 6.012 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.736 5.321 7.026 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.232 6.583 7.762 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.411 7.581 7.629 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.636 4.939 9.171 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.729 4.863 10.557 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.803 7.475 9.414 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.513 6.292 10.693 1.00 0.00 H new ATOM 789 N CYS A 52 -2.032 9.222 2.836 1.00 0.00 N ATOM 790 CA CYS A 52 -1.342 9.933 1.763 1.00 0.00 C ATOM 791 C CYS A 52 -2.206 11.049 1.179 1.00 0.00 C ATOM 792 O CYS A 52 -1.687 12.049 0.681 1.00 0.00 O ATOM 793 CB CYS A 52 -0.935 8.958 0.657 1.00 0.00 C ATOM 794 SG CYS A 52 0.716 9.280 -0.049 1.00 0.00 S ATOM 0 H CYS A 52 -2.727 8.547 2.518 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.449 10.388 2.192 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.956 7.944 1.056 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.675 9.002 -0.142 1.00 0.00 H new ATOM 799 N ALA A 53 -3.522 10.877 1.236 1.00 0.00 N ATOM 800 CA ALA A 53 -4.443 11.877 0.706 1.00 0.00 C ATOM 801 C ALA A 53 -4.745 12.954 1.742 1.00 0.00 C ATOM 802 O ALA A 53 -5.063 14.091 1.394 1.00 0.00 O ATOM 803 CB ALA A 53 -5.731 11.218 0.235 1.00 0.00 C ATOM 0 H ALA A 53 -3.974 10.058 1.642 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.962 12.356 -0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.406 11.978 -0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.504 10.495 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.206 10.708 1.073 1.00 0.00 H new ATOM 809 N LYS A 54 -4.644 12.592 3.017 1.00 0.00 N ATOM 810 CA LYS A 54 -4.907 13.532 4.100 1.00 0.00 C ATOM 811 C LYS A 54 -3.610 14.158 4.603 1.00 0.00 C ATOM 812 O LYS A 54 -3.454 15.379 4.589 1.00 0.00 O ATOM 813 CB LYS A 54 -5.627 12.827 5.252 1.00 0.00 C ATOM 814 CG LYS A 54 -7.140 12.965 5.197 1.00 0.00 C ATOM 815 CD LYS A 54 -7.729 13.211 6.577 1.00 0.00 C ATOM 816 CE LYS A 54 -8.862 14.222 6.525 1.00 0.00 C ATOM 817 NZ LYS A 54 -8.391 15.601 6.836 1.00 0.00 N ATOM 0 H LYS A 54 -4.382 11.656 3.325 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.546 14.325 3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.366 11.769 5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.267 13.233 6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.407 13.788 4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.573 12.060 4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.097 12.272 6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.949 13.571 7.248 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.316 14.208 5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.638 13.935 7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.194 16.261 6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.981 15.621 7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.669 15.886 6.144 1.00 0.00 H new ATOM 831 N ALA A 55 -2.684 13.315 5.045 1.00 0.00 N ATOM 832 CA ALA A 55 -1.401 13.786 5.553 1.00 0.00 C ATOM 833 C ALA A 55 -0.379 13.912 4.429 1.00 0.00 C ATOM 834 O ALA A 55 0.593 14.678 4.598 1.00 0.00 O ATOM 835 CB ALA A 55 -0.886 12.847 6.635 1.00 0.00 C ATOM 836 OXT ALA A 55 -0.558 13.243 3.390 1.00 0.00 O ATOM 0 H ALA A 55 -2.798 12.302 5.062 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.550 14.775 5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.073 13.210 7.006 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.602 12.810 7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.759 11.847 6.219 1.00 0.00 H new