USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 580 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 1 SER OG : rot -174:sc= 1.12 USER MOD Set 1.2: A 59 THR OG1 : rot 180:sc= 0.847 USER MOD Set 2.1: A 41 SER OG : rot 180:sc= -2.95! USER MOD Set 2.2: A 44 THR OG1 : rot 180:sc= -0.138 USER MOD Set 3.1: A 15 GLN : amide:sc= -1.35! K(o=-2.1!,f=-5) USER MOD Set 3.2: A 55 THR OG1 : rot 170:sc= -0.791 USER MOD Single : A 1 SER N :NH3+ 145:sc= 0.513 (180deg=0.0589) USER MOD Single : A 2 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.16) USER MOD Single : A 3 SER OG : rot -14:sc= 0.622 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 70:sc= -0.122 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.788 USER MOD Single : A 14 THR OG1 : rot 52:sc= 0.333 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -1.03 K(o=-1,f=-5.6!) USER MOD Single : A 40 SER OG : rot 162:sc= 0.464 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -51:sc= 0.936 USER MOD Single : A 73 THR OG1 : rot -80:sc= -2! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.146 -2.018 8.232 1.00 5.61 N ATOM 2 CA SER A 1 -5.310 -3.052 9.239 1.00 4.88 C ATOM 3 C SER A 1 -3.943 -3.493 9.765 1.00 3.93 C ATOM 4 O SER A 1 -3.708 -3.493 10.972 1.00 4.04 O ATOM 5 CB SER A 1 -6.076 -4.252 8.678 1.00 5.50 C ATOM 6 OG SER A 1 -7.476 -4.154 8.924 1.00 6.59 O ATOM 0 H1 SER A 1 -5.877 -2.127 7.500 1.00 5.61 H new ATOM 0 H2 SER A 1 -5.238 -1.082 8.677 1.00 5.61 H new ATOM 0 H3 SER A 1 -4.205 -2.103 7.797 1.00 5.61 H new ATOM 0 HA SER A 1 -5.892 -2.637 10.062 1.00 4.88 H new ATOM 0 HB2 SER A 1 -5.901 -4.324 7.605 1.00 5.50 H new ATOM 0 HB3 SER A 1 -5.692 -5.169 9.126 1.00 5.50 H new ATOM 0 HG SER A 1 -7.916 -4.983 8.642 1.00 6.59 H new ATOM 12 N HIS A 2 -3.076 -3.859 8.832 1.00 3.61 N ATOM 13 CA HIS A 2 -1.738 -4.301 9.185 1.00 2.89 C ATOM 14 C HIS A 2 -0.993 -4.741 7.923 1.00 2.38 C ATOM 15 O HIS A 2 -1.608 -4.976 6.884 1.00 2.70 O ATOM 16 CB HIS A 2 -1.793 -5.397 10.252 1.00 3.17 C ATOM 17 CG HIS A 2 -2.793 -6.490 9.959 1.00 4.09 C ATOM 18 ND1 HIS A 2 -3.745 -6.900 10.876 1.00 4.67 N ATOM 19 CD2 HIS A 2 -2.979 -7.253 8.844 1.00 5.35 C ATOM 20 CE1 HIS A 2 -4.465 -7.866 10.327 1.00 5.80 C ATOM 21 NE2 HIS A 2 -3.989 -8.085 9.068 1.00 6.29 N ATOM 0 H HIS A 2 -3.275 -3.858 7.832 1.00 3.61 H new ATOM 0 HA HIS A 2 -1.181 -3.473 9.624 1.00 2.89 H new ATOM 0 HB2 HIS A 2 -0.803 -5.842 10.353 1.00 3.17 H new ATOM 0 HB3 HIS A 2 -2.037 -4.943 11.212 1.00 3.17 H new ATOM 0 HD2 HIS A 2 -2.402 -7.191 7.933 1.00 5.35 H new ATOM 0 HE1 HIS A 2 -5.286 -8.389 10.795 1.00 5.80 H new ATOM 0 HE2 HIS A 2 -4.349 -8.774 8.408 1.00 6.29 H new ATOM 29 N SER A 3 0.322 -4.835 8.054 1.00 1.86 N ATOM 30 CA SER A 3 1.159 -5.241 6.937 1.00 1.49 C ATOM 31 C SER A 3 0.987 -4.263 5.772 1.00 1.45 C ATOM 32 O SER A 3 -0.070 -3.652 5.621 1.00 1.91 O ATOM 33 CB SER A 3 0.825 -6.665 6.488 1.00 1.82 C ATOM 34 OG SER A 3 -0.408 -6.725 5.776 1.00 2.44 O ATOM 0 H SER A 3 0.829 -4.637 8.917 1.00 1.86 H new ATOM 0 HA SER A 3 2.198 -5.227 7.265 1.00 1.49 H new ATOM 0 HB2 SER A 3 1.628 -7.043 5.855 1.00 1.82 H new ATOM 0 HB3 SER A 3 0.772 -7.317 7.360 1.00 1.82 H new ATOM 0 HG SER A 3 -0.906 -5.892 5.913 1.00 2.44 H new ATOM 40 N VAL A 4 2.042 -4.146 4.980 1.00 1.30 N ATOM 41 CA VAL A 4 2.021 -3.253 3.834 1.00 1.34 C ATOM 42 C VAL A 4 2.960 -3.794 2.754 1.00 1.34 C ATOM 43 O VAL A 4 3.620 -3.024 2.058 1.00 1.95 O ATOM 44 CB VAL A 4 2.371 -1.829 4.272 1.00 1.45 C ATOM 45 CG1 VAL A 4 1.278 -1.249 5.173 1.00 2.16 C ATOM 46 CG2 VAL A 4 3.733 -1.790 4.968 1.00 2.65 C ATOM 0 H VAL A 4 2.917 -4.654 5.109 1.00 1.30 H new ATOM 0 HA VAL A 4 1.021 -3.209 3.403 1.00 1.34 H new ATOM 0 HB VAL A 4 2.433 -1.208 3.378 1.00 1.45 H new ATOM 0 HG11 VAL A 4 1.551 -0.236 5.470 1.00 2.16 H new ATOM 0 HG12 VAL A 4 0.333 -1.225 4.630 1.00 2.16 H new ATOM 0 HG13 VAL A 4 1.170 -1.871 6.061 1.00 2.16 H new ATOM 0 HG21 VAL A 4 3.958 -0.767 5.269 1.00 2.65 H new ATOM 0 HG22 VAL A 4 3.710 -2.431 5.849 1.00 2.65 H new ATOM 0 HG23 VAL A 4 4.502 -2.144 4.282 1.00 2.65 H new ATOM 56 N LYS A 5 2.992 -5.115 2.649 1.00 1.04 N ATOM 57 CA LYS A 5 3.839 -5.767 1.666 1.00 1.04 C ATOM 58 C LYS A 5 3.437 -5.305 0.265 1.00 1.12 C ATOM 59 O LYS A 5 2.462 -4.571 0.104 1.00 1.28 O ATOM 60 CB LYS A 5 3.800 -7.285 1.848 1.00 1.07 C ATOM 61 CG LYS A 5 5.120 -7.803 2.422 1.00 1.45 C ATOM 62 CD LYS A 5 6.064 -8.252 1.306 1.00 2.10 C ATOM 63 CE LYS A 5 5.573 -9.550 0.660 1.00 2.22 C ATOM 64 NZ LYS A 5 6.557 -10.042 -0.330 1.00 2.91 N ATOM 0 H LYS A 5 2.445 -5.751 3.229 1.00 1.04 H new ATOM 0 HA LYS A 5 4.880 -5.479 1.810 1.00 1.04 H new ATOM 0 HB2 LYS A 5 2.980 -7.554 2.513 1.00 1.07 H new ATOM 0 HB3 LYS A 5 3.603 -7.765 0.889 1.00 1.07 H new ATOM 0 HG2 LYS A 5 5.596 -7.020 3.013 1.00 1.45 H new ATOM 0 HG3 LYS A 5 4.925 -8.637 3.096 1.00 1.45 H new ATOM 0 HD2 LYS A 5 6.136 -7.470 0.550 1.00 2.10 H new ATOM 0 HD3 LYS A 5 7.066 -8.399 1.710 1.00 2.10 H new ATOM 0 HE2 LYS A 5 5.412 -10.307 1.428 1.00 2.22 H new ATOM 0 HE3 LYS A 5 4.613 -9.380 0.173 1.00 2.22 H new ATOM 0 HZ1 LYS A 5 6.208 -10.923 -0.758 1.00 2.91 H new ATOM 0 HZ2 LYS A 5 6.691 -9.326 -1.072 1.00 2.91 H new ATOM 0 HZ3 LYS A 5 7.465 -10.224 0.144 1.00 2.91 H new ATOM 78 N ILE A 6 4.206 -5.754 -0.716 1.00 1.24 N ATOM 79 CA ILE A 6 3.942 -5.395 -2.099 1.00 1.38 C ATOM 80 C ILE A 6 2.855 -6.314 -2.660 1.00 1.20 C ATOM 81 O ILE A 6 3.144 -7.217 -3.443 1.00 1.59 O ATOM 82 CB ILE A 6 5.238 -5.407 -2.913 1.00 1.71 C ATOM 83 CG1 ILE A 6 6.252 -4.412 -2.345 1.00 1.89 C ATOM 84 CG2 ILE A 6 4.957 -5.156 -4.396 1.00 2.18 C ATOM 85 CD1 ILE A 6 7.176 -5.089 -1.331 1.00 2.01 C ATOM 0 H ILE A 6 5.012 -6.364 -0.580 1.00 1.24 H new ATOM 0 HA ILE A 6 3.563 -4.375 -2.163 1.00 1.38 H new ATOM 0 HB ILE A 6 5.682 -6.399 -2.833 1.00 1.71 H new ATOM 0 HG12 ILE A 6 6.844 -3.988 -3.156 1.00 1.89 H new ATOM 0 HG13 ILE A 6 5.727 -3.585 -1.868 1.00 1.89 H new ATOM 0 HG21 ILE A 6 5.895 -5.170 -4.951 1.00 2.18 H new ATOM 0 HG22 ILE A 6 4.297 -5.935 -4.778 1.00 2.18 H new ATOM 0 HG23 ILE A 6 4.478 -4.184 -4.516 1.00 2.18 H new ATOM 0 HD11 ILE A 6 7.887 -4.360 -0.943 1.00 2.01 H new ATOM 0 HD12 ILE A 6 6.583 -5.490 -0.509 1.00 2.01 H new ATOM 0 HD13 ILE A 6 7.718 -5.900 -1.817 1.00 2.01 H new ATOM 97 N TYR A 7 1.627 -6.052 -2.238 1.00 0.87 N ATOM 98 CA TYR A 7 0.496 -6.844 -2.688 1.00 0.70 C ATOM 99 C TYR A 7 -0.530 -5.970 -3.415 1.00 0.57 C ATOM 100 O TYR A 7 -0.473 -4.744 -3.338 1.00 0.64 O ATOM 101 CB TYR A 7 -0.147 -7.418 -1.424 1.00 0.73 C ATOM 102 CG TYR A 7 0.662 -8.541 -0.771 1.00 0.95 C ATOM 103 CD1 TYR A 7 1.066 -9.627 -1.521 1.00 2.15 C ATOM 104 CD2 TYR A 7 0.988 -8.467 0.568 1.00 1.86 C ATOM 105 CE1 TYR A 7 1.828 -10.683 -0.905 1.00 2.32 C ATOM 106 CE2 TYR A 7 1.750 -9.524 1.183 1.00 2.01 C ATOM 107 CZ TYR A 7 2.132 -10.579 0.416 1.00 1.49 C ATOM 108 OH TYR A 7 2.851 -11.577 0.997 1.00 1.79 O ATOM 0 H TYR A 7 1.391 -5.302 -1.589 1.00 0.87 H new ATOM 0 HA TYR A 7 0.822 -7.620 -3.381 1.00 0.70 H new ATOM 0 HB2 TYR A 7 -0.284 -6.614 -0.701 1.00 0.73 H new ATOM 0 HB3 TYR A 7 -1.139 -7.795 -1.672 1.00 0.73 H new ATOM 0 HD1 TYR A 7 0.811 -9.685 -2.569 1.00 2.15 H new ATOM 0 HD2 TYR A 7 0.672 -7.617 1.155 1.00 1.86 H new ATOM 0 HE1 TYR A 7 2.151 -11.538 -1.480 1.00 2.32 H new ATOM 0 HE2 TYR A 7 2.012 -9.479 2.230 1.00 2.01 H new ATOM 0 HH TYR A 7 3.770 -11.558 0.658 1.00 1.79 H new ATOM 118 N ASP A 8 -1.444 -6.638 -4.104 1.00 0.45 N ATOM 119 CA ASP A 8 -2.481 -5.937 -4.844 1.00 0.41 C ATOM 120 C ASP A 8 -3.667 -5.664 -3.917 1.00 0.56 C ATOM 121 O ASP A 8 -4.819 -5.855 -4.304 1.00 0.72 O ATOM 122 CB ASP A 8 -2.983 -6.780 -6.019 1.00 0.46 C ATOM 123 CG ASP A 8 -3.973 -7.885 -5.645 1.00 0.84 C ATOM 124 OD1 ASP A 8 -3.540 -8.820 -4.937 1.00 1.77 O ATOM 125 OD2 ASP A 8 -5.141 -7.769 -6.075 1.00 2.06 O ATOM 0 H ASP A 8 -1.488 -7.655 -4.166 1.00 0.45 H new ATOM 0 HA ASP A 8 -2.056 -5.007 -5.222 1.00 0.41 H new ATOM 0 HB2 ASP A 8 -3.457 -6.119 -6.745 1.00 0.46 H new ATOM 0 HB3 ASP A 8 -2.125 -7.234 -6.514 1.00 0.46 H new ATOM 130 N THR A 9 -3.344 -5.221 -2.710 1.00 0.65 N ATOM 131 CA THR A 9 -4.368 -4.919 -1.726 1.00 0.82 C ATOM 132 C THR A 9 -4.876 -3.487 -1.906 1.00 0.66 C ATOM 133 O THR A 9 -4.307 -2.548 -1.352 1.00 0.67 O ATOM 134 CB THR A 9 -3.782 -5.186 -0.338 1.00 1.08 C ATOM 135 OG1 THR A 9 -4.637 -4.463 0.545 1.00 1.46 O ATOM 136 CG2 THR A 9 -2.412 -4.532 -0.145 1.00 1.19 C ATOM 0 H THR A 9 -2.387 -5.064 -2.392 1.00 0.65 H new ATOM 0 HA THR A 9 -5.241 -5.558 -1.855 1.00 0.82 H new ATOM 0 HB THR A 9 -3.697 -6.261 -0.181 1.00 1.08 H new ATOM 0 HG1 THR A 9 -4.330 -4.582 1.468 1.00 1.46 H new ATOM 0 HG21 THR A 9 -2.041 -4.752 0.856 1.00 1.19 H new ATOM 0 HG22 THR A 9 -1.714 -4.924 -0.885 1.00 1.19 H new ATOM 0 HG23 THR A 9 -2.503 -3.453 -0.269 1.00 1.19 H new ATOM 144 N CYS A 10 -5.942 -3.366 -2.683 1.00 0.64 N ATOM 145 CA CYS A 10 -6.534 -2.064 -2.944 1.00 0.53 C ATOM 146 C CYS A 10 -7.955 -2.278 -3.469 1.00 0.69 C ATOM 147 O CYS A 10 -8.201 -3.201 -4.246 1.00 0.94 O ATOM 148 CB CYS A 10 -5.685 -1.241 -3.915 1.00 0.40 C ATOM 149 SG CYS A 10 -5.921 0.569 -3.796 1.00 0.38 S ATOM 0 H CYS A 10 -6.411 -4.148 -3.140 1.00 0.64 H new ATOM 0 HA CYS A 10 -6.573 -1.488 -2.020 1.00 0.53 H new ATOM 0 HB2 CYS A 10 -4.634 -1.469 -3.739 1.00 0.40 H new ATOM 0 HB3 CYS A 10 -5.913 -1.557 -4.933 1.00 0.40 H new ATOM 154 N ILE A 11 -8.853 -1.412 -3.025 1.00 0.66 N ATOM 155 CA ILE A 11 -10.243 -1.495 -3.440 1.00 0.83 C ATOM 156 C ILE A 11 -10.578 -0.295 -4.329 1.00 0.84 C ATOM 157 O ILE A 11 -11.589 -0.300 -5.027 1.00 1.11 O ATOM 158 CB ILE A 11 -11.159 -1.633 -2.222 1.00 0.87 C ATOM 159 CG1 ILE A 11 -11.233 -0.320 -1.440 1.00 0.78 C ATOM 160 CG2 ILE A 11 -10.722 -2.802 -1.337 1.00 1.05 C ATOM 161 CD1 ILE A 11 -12.362 0.569 -1.966 1.00 1.37 C ATOM 0 H ILE A 11 -8.645 -0.648 -2.381 1.00 0.66 H new ATOM 0 HA ILE A 11 -10.409 -2.391 -4.038 1.00 0.83 H new ATOM 0 HB ILE A 11 -12.166 -1.855 -2.576 1.00 0.87 H new ATOM 0 HG12 ILE A 11 -11.394 -0.531 -0.383 1.00 0.78 H new ATOM 0 HG13 ILE A 11 -10.283 0.208 -1.519 1.00 0.78 H new ATOM 0 HG21 ILE A 11 -11.390 -2.878 -0.479 1.00 1.05 H new ATOM 0 HG22 ILE A 11 -10.762 -3.728 -1.911 1.00 1.05 H new ATOM 0 HG23 ILE A 11 -9.702 -2.634 -0.990 1.00 1.05 H new ATOM 0 HD11 ILE A 11 -12.393 1.496 -1.393 1.00 1.37 H new ATOM 0 HD12 ILE A 11 -12.185 0.798 -3.017 1.00 1.37 H new ATOM 0 HD13 ILE A 11 -13.314 0.047 -1.863 1.00 1.37 H new ATOM 173 N GLY A 12 -9.709 0.704 -4.271 1.00 0.83 N ATOM 174 CA GLY A 12 -9.900 1.907 -5.061 1.00 1.07 C ATOM 175 C GLY A 12 -10.097 3.129 -4.161 1.00 1.10 C ATOM 176 O GLY A 12 -10.809 4.064 -4.524 1.00 1.40 O ATOM 0 H GLY A 12 -8.871 0.704 -3.689 1.00 0.83 H new ATOM 0 HA2 GLY A 12 -9.036 2.063 -5.708 1.00 1.07 H new ATOM 0 HA3 GLY A 12 -10.767 1.786 -5.711 1.00 1.07 H new ATOM 180 N CYS A 13 -9.452 3.083 -3.005 1.00 0.98 N ATOM 181 CA CYS A 13 -9.547 4.173 -2.049 1.00 1.12 C ATOM 182 C CYS A 13 -8.162 4.807 -1.904 1.00 1.22 C ATOM 183 O CYS A 13 -7.189 4.317 -2.474 1.00 1.47 O ATOM 184 CB CYS A 13 -10.103 3.701 -0.705 1.00 1.04 C ATOM 185 SG CYS A 13 -8.925 3.807 0.691 1.00 0.93 S ATOM 0 H CYS A 13 -8.861 2.307 -2.708 1.00 0.98 H new ATOM 0 HA CYS A 13 -10.251 4.920 -2.415 1.00 1.12 H new ATOM 0 HB2 CYS A 13 -10.985 4.294 -0.464 1.00 1.04 H new ATOM 0 HB3 CYS A 13 -10.432 2.667 -0.807 1.00 1.04 H new ATOM 190 N THR A 14 -8.118 5.886 -1.138 1.00 1.26 N ATOM 191 CA THR A 14 -6.868 6.592 -0.910 1.00 1.39 C ATOM 192 C THR A 14 -6.732 6.975 0.565 1.00 1.19 C ATOM 193 O THR A 14 -6.956 8.127 0.934 1.00 1.84 O ATOM 194 CB THR A 14 -6.824 7.792 -1.857 1.00 2.19 C ATOM 195 OG1 THR A 14 -8.054 8.469 -1.617 1.00 2.59 O ATOM 196 CG2 THR A 14 -6.904 7.382 -3.328 1.00 3.78 C ATOM 0 H THR A 14 -8.928 6.289 -0.667 1.00 1.26 H new ATOM 0 HA THR A 14 -6.009 5.957 -1.127 1.00 1.39 H new ATOM 0 HB THR A 14 -5.905 8.354 -1.688 1.00 2.19 H new ATOM 0 HG1 THR A 14 -8.156 8.631 -0.656 1.00 2.59 H new ATOM 0 HG21 THR A 14 -6.869 8.272 -3.956 1.00 3.78 H new ATOM 0 HG22 THR A 14 -6.063 6.733 -3.571 1.00 3.78 H new ATOM 0 HG23 THR A 14 -7.838 6.849 -3.507 1.00 3.78 H new ATOM 204 N GLN A 15 -6.367 5.987 1.369 1.00 0.75 N ATOM 205 CA GLN A 15 -6.199 6.207 2.796 1.00 0.98 C ATOM 206 C GLN A 15 -4.793 5.796 3.234 1.00 1.24 C ATOM 207 O GLN A 15 -4.136 6.518 3.983 1.00 2.95 O ATOM 208 CB GLN A 15 -7.265 5.454 3.594 1.00 1.08 C ATOM 209 CG GLN A 15 -7.067 3.940 3.483 1.00 1.09 C ATOM 210 CD GLN A 15 -8.216 3.186 4.153 1.00 1.23 C ATOM 211 OE1 GLN A 15 -9.299 3.710 4.362 1.00 1.41 O ATOM 212 NE2 GLN A 15 -7.923 1.929 4.476 1.00 1.21 N ATOM 0 H GLN A 15 -6.183 5.033 1.060 1.00 0.75 H new ATOM 0 HA GLN A 15 -6.324 7.271 2.998 1.00 0.98 H new ATOM 0 HB2 GLN A 15 -7.220 5.754 4.641 1.00 1.08 H new ATOM 0 HB3 GLN A 15 -8.256 5.722 3.228 1.00 1.08 H new ATOM 0 HG2 GLN A 15 -7.003 3.654 2.433 1.00 1.09 H new ATOM 0 HG3 GLN A 15 -6.122 3.658 3.948 1.00 1.09 H new ATOM 0 HE21 GLN A 15 -6.997 1.553 4.273 1.00 1.21 H new ATOM 0 HE22 GLN A 15 -8.624 1.342 4.927 1.00 1.21 H new ATOM 221 N CYS A 16 -4.370 4.638 2.749 1.00 1.03 N ATOM 222 CA CYS A 16 -3.053 4.122 3.081 1.00 0.77 C ATOM 223 C CYS A 16 -2.033 4.771 2.143 1.00 0.65 C ATOM 224 O CYS A 16 -0.898 4.307 2.038 1.00 0.94 O ATOM 225 CB CYS A 16 -3.007 2.595 3.005 1.00 0.59 C ATOM 226 SG CYS A 16 -2.683 1.919 1.336 1.00 0.59 S ATOM 0 H CYS A 16 -4.917 4.042 2.128 1.00 1.03 H new ATOM 0 HA CYS A 16 -2.810 4.376 4.113 1.00 0.77 H new ATOM 0 HB2 CYS A 16 -2.234 2.235 3.684 1.00 0.59 H new ATOM 0 HB3 CYS A 16 -3.957 2.199 3.364 1.00 0.59 H new ATOM 231 N VAL A 17 -2.472 5.834 1.486 1.00 0.69 N ATOM 232 CA VAL A 17 -1.612 6.552 0.562 1.00 0.64 C ATOM 233 C VAL A 17 -1.350 7.959 1.102 1.00 0.65 C ATOM 234 O VAL A 17 -0.629 8.741 0.485 1.00 0.85 O ATOM 235 CB VAL A 17 -2.233 6.555 -0.837 1.00 0.76 C ATOM 236 CG1 VAL A 17 -1.703 5.389 -1.674 1.00 1.47 C ATOM 237 CG2 VAL A 17 -3.761 6.523 -0.757 1.00 2.40 C ATOM 0 H VAL A 17 -3.414 6.216 1.576 1.00 0.69 H new ATOM 0 HA VAL A 17 -0.647 6.053 0.474 1.00 0.64 H new ATOM 0 HB VAL A 17 -1.942 7.482 -1.332 1.00 0.76 H new ATOM 0 HG11 VAL A 17 -2.160 5.414 -2.663 1.00 1.47 H new ATOM 0 HG12 VAL A 17 -0.621 5.474 -1.772 1.00 1.47 H new ATOM 0 HG13 VAL A 17 -1.950 4.447 -1.184 1.00 1.47 H new ATOM 0 HG21 VAL A 17 -4.178 6.526 -1.764 1.00 2.40 H new ATOM 0 HG22 VAL A 17 -4.079 5.621 -0.235 1.00 2.40 H new ATOM 0 HG23 VAL A 17 -4.115 7.400 -0.215 1.00 2.40 H new ATOM 247 N ARG A 18 -1.950 8.238 2.250 1.00 0.64 N ATOM 248 CA ARG A 18 -1.791 9.538 2.880 1.00 0.65 C ATOM 249 C ARG A 18 -1.108 9.387 4.241 1.00 0.56 C ATOM 250 O ARG A 18 -0.161 10.111 4.548 1.00 0.62 O ATOM 251 CB ARG A 18 -3.144 10.227 3.071 1.00 0.88 C ATOM 252 CG ARG A 18 -3.305 11.397 2.098 1.00 1.08 C ATOM 253 CD ARG A 18 -3.721 10.904 0.710 1.00 1.14 C ATOM 254 NE ARG A 18 -2.792 11.430 -0.314 1.00 1.22 N ATOM 255 CZ ARG A 18 -2.571 12.733 -0.530 1.00 2.15 C ATOM 256 NH1 ARG A 18 -3.210 13.652 0.207 1.00 3.67 N ATOM 257 NH2 ARG A 18 -1.709 13.120 -1.481 1.00 2.14 N ATOM 0 H ARG A 18 -2.547 7.587 2.760 1.00 0.64 H new ATOM 0 HA ARG A 18 -1.173 10.151 2.224 1.00 0.65 H new ATOM 0 HB2 ARG A 18 -3.948 9.507 2.916 1.00 0.88 H new ATOM 0 HB3 ARG A 18 -3.231 10.587 4.096 1.00 0.88 H new ATOM 0 HG2 ARG A 18 -4.053 12.092 2.480 1.00 1.08 H new ATOM 0 HG3 ARG A 18 -2.366 11.947 2.026 1.00 1.08 H new ATOM 0 HD2 ARG A 18 -3.721 9.814 0.687 1.00 1.14 H new ATOM 0 HD3 ARG A 18 -4.738 11.227 0.490 1.00 1.14 H new ATOM 0 HE ARG A 18 -2.288 10.758 -0.892 1.00 1.22 H new ATOM 0 HH11 ARG A 18 -3.865 13.359 0.932 1.00 3.67 H new ATOM 0 HH12 ARG A 18 -3.042 14.645 0.043 1.00 3.67 H new ATOM 0 HH21 ARG A 18 -1.220 12.422 -2.041 1.00 2.14 H new ATOM 0 HH22 ARG A 18 -1.542 14.113 -1.644 1.00 2.14 H new ATOM 271 N ALA A 19 -1.614 8.443 5.020 1.00 0.63 N ATOM 272 CA ALA A 19 -1.063 8.189 6.341 1.00 0.77 C ATOM 273 C ALA A 19 0.464 8.168 6.258 1.00 0.87 C ATOM 274 O ALA A 19 1.137 8.950 6.928 1.00 2.34 O ATOM 275 CB ALA A 19 -1.635 6.879 6.889 1.00 0.84 C ATOM 0 H ALA A 19 -2.399 7.845 4.763 1.00 0.63 H new ATOM 0 HA ALA A 19 -1.344 8.983 7.033 1.00 0.77 H new ATOM 0 HB1 ALA A 19 -1.222 6.688 7.880 1.00 0.84 H new ATOM 0 HB2 ALA A 19 -2.720 6.956 6.957 1.00 0.84 H new ATOM 0 HB3 ALA A 19 -1.370 6.059 6.221 1.00 0.84 H new ATOM 281 N CYS A 20 0.968 7.266 5.427 1.00 1.31 N ATOM 282 CA CYS A 20 2.403 7.133 5.248 1.00 1.13 C ATOM 283 C CYS A 20 2.980 8.518 4.947 1.00 1.22 C ATOM 284 O CYS A 20 2.640 9.131 3.937 1.00 1.42 O ATOM 285 CB CYS A 20 2.745 6.124 4.150 1.00 1.06 C ATOM 286 SG CYS A 20 4.519 5.693 4.028 1.00 0.97 S ATOM 0 H CYS A 20 0.407 6.621 4.871 1.00 1.31 H new ATOM 0 HA CYS A 20 2.851 6.743 6.162 1.00 1.13 H new ATOM 0 HB2 CYS A 20 2.175 5.211 4.325 1.00 1.06 H new ATOM 0 HB3 CYS A 20 2.417 6.526 3.192 1.00 1.06 H new ATOM 291 N PRO A 21 3.866 8.983 5.869 1.00 1.16 N ATOM 292 CA PRO A 21 4.493 10.286 5.713 1.00 1.30 C ATOM 293 C PRO A 21 5.579 10.245 4.637 1.00 1.35 C ATOM 294 O PRO A 21 5.494 10.956 3.636 1.00 1.92 O ATOM 295 CB PRO A 21 5.034 10.628 7.091 1.00 1.28 C ATOM 296 CG PRO A 21 5.101 9.314 7.852 1.00 1.15 C ATOM 297 CD PRO A 21 4.292 8.286 7.078 1.00 1.07 C ATOM 0 HA PRO A 21 3.796 11.052 5.372 1.00 1.30 H new ATOM 0 HB2 PRO A 21 6.019 11.089 7.020 1.00 1.28 H new ATOM 0 HB3 PRO A 21 4.385 11.341 7.599 1.00 1.28 H new ATOM 0 HG2 PRO A 21 6.135 8.986 7.957 1.00 1.15 H new ATOM 0 HG3 PRO A 21 4.701 9.435 8.859 1.00 1.15 H new ATOM 0 HD2 PRO A 21 4.893 7.409 6.838 1.00 1.07 H new ATOM 0 HD3 PRO A 21 3.436 7.938 7.657 1.00 1.07 H new ATOM 305 N LEU A 22 6.576 9.407 4.879 1.00 0.95 N ATOM 306 CA LEU A 22 7.679 9.265 3.943 1.00 1.06 C ATOM 307 C LEU A 22 7.132 9.264 2.514 1.00 1.17 C ATOM 308 O LEU A 22 7.038 10.314 1.881 1.00 1.94 O ATOM 309 CB LEU A 22 8.514 8.028 4.283 1.00 1.06 C ATOM 310 CG LEU A 22 9.220 8.049 5.639 1.00 0.96 C ATOM 311 CD1 LEU A 22 8.404 7.298 6.694 1.00 1.59 C ATOM 312 CD2 LEU A 22 10.646 7.505 5.523 1.00 1.32 C ATOM 0 H LEU A 22 6.643 8.819 5.710 1.00 0.95 H new ATOM 0 HA LEU A 22 8.359 10.113 4.024 1.00 1.06 H new ATOM 0 HB2 LEU A 22 7.864 7.154 4.248 1.00 1.06 H new ATOM 0 HB3 LEU A 22 9.267 7.897 3.506 1.00 1.06 H new ATOM 0 HG LEU A 22 9.296 9.085 5.969 1.00 0.96 H new ATOM 0 HD11 LEU A 22 8.929 7.328 7.649 1.00 1.59 H new ATOM 0 HD12 LEU A 22 7.427 7.769 6.802 1.00 1.59 H new ATOM 0 HD13 LEU A 22 8.275 6.261 6.384 1.00 1.59 H new ATOM 0 HD21 LEU A 22 11.126 7.531 6.501 1.00 1.32 H new ATOM 0 HD22 LEU A 22 10.615 6.477 5.161 1.00 1.32 H new ATOM 0 HD23 LEU A 22 11.214 8.119 4.824 1.00 1.32 H new ATOM 324 N ASP A 23 6.785 8.072 2.048 1.00 1.22 N ATOM 325 CA ASP A 23 6.250 7.921 0.705 1.00 1.32 C ATOM 326 C ASP A 23 6.529 6.501 0.207 1.00 1.33 C ATOM 327 O ASP A 23 7.083 6.318 -0.875 1.00 1.81 O ATOM 328 CB ASP A 23 6.912 8.901 -0.265 1.00 1.69 C ATOM 329 CG ASP A 23 8.413 9.110 -0.051 1.00 2.96 C ATOM 330 OD1 ASP A 23 9.066 8.134 0.376 1.00 4.42 O ATOM 331 OD2 ASP A 23 8.872 10.240 -0.319 1.00 3.46 O ATOM 0 H ASP A 23 6.864 7.203 2.576 1.00 1.22 H new ATOM 0 HA ASP A 23 5.179 8.121 0.744 1.00 1.32 H new ATOM 0 HB2 ASP A 23 6.752 8.545 -1.283 1.00 1.69 H new ATOM 0 HB3 ASP A 23 6.411 9.865 -0.182 1.00 1.69 H new ATOM 336 N VAL A 24 6.132 5.534 1.021 1.00 1.01 N ATOM 337 CA VAL A 24 6.332 4.137 0.677 1.00 1.18 C ATOM 338 C VAL A 24 5.148 3.648 -0.158 1.00 1.17 C ATOM 339 O VAL A 24 5.320 3.233 -1.303 1.00 1.79 O ATOM 340 CB VAL A 24 6.551 3.312 1.946 1.00 1.25 C ATOM 341 CG1 VAL A 24 6.449 1.813 1.651 1.00 1.91 C ATOM 342 CG2 VAL A 24 7.893 3.651 2.597 1.00 1.51 C ATOM 0 H VAL A 24 5.673 5.691 1.918 1.00 1.01 H new ATOM 0 HA VAL A 24 7.229 4.017 0.070 1.00 1.18 H new ATOM 0 HB VAL A 24 5.761 3.570 2.652 1.00 1.25 H new ATOM 0 HG11 VAL A 24 6.609 1.250 2.570 1.00 1.91 H new ATOM 0 HG12 VAL A 24 5.459 1.587 1.254 1.00 1.91 H new ATOM 0 HG13 VAL A 24 7.206 1.534 0.918 1.00 1.91 H new ATOM 0 HG21 VAL A 24 8.023 3.050 3.497 1.00 1.51 H new ATOM 0 HG22 VAL A 24 8.701 3.436 1.898 1.00 1.51 H new ATOM 0 HG23 VAL A 24 7.913 4.708 2.861 1.00 1.51 H new ATOM 352 N LEU A 25 3.971 3.711 0.447 1.00 0.98 N ATOM 353 CA LEU A 25 2.758 3.280 -0.226 1.00 0.94 C ATOM 354 C LEU A 25 2.515 4.167 -1.449 1.00 0.88 C ATOM 355 O LEU A 25 1.689 5.077 -1.405 1.00 1.15 O ATOM 356 CB LEU A 25 1.583 3.248 0.754 1.00 0.98 C ATOM 357 CG LEU A 25 1.725 2.292 1.940 1.00 0.95 C ATOM 358 CD1 LEU A 25 1.711 3.056 3.265 1.00 1.17 C ATOM 359 CD2 LEU A 25 0.652 1.201 1.895 1.00 1.11 C ATOM 0 H LEU A 25 3.832 4.055 1.397 1.00 0.98 H new ATOM 0 HA LEU A 25 2.867 2.258 -0.590 1.00 0.94 H new ATOM 0 HB2 LEU A 25 1.431 4.256 1.141 1.00 0.98 H new ATOM 0 HB3 LEU A 25 0.682 2.979 0.202 1.00 0.98 H new ATOM 0 HG LEU A 25 2.693 1.796 1.866 1.00 0.95 H new ATOM 0 HD11 LEU A 25 1.813 2.353 4.092 1.00 1.17 H new ATOM 0 HD12 LEU A 25 2.540 3.764 3.286 1.00 1.17 H new ATOM 0 HD13 LEU A 25 0.770 3.597 3.363 1.00 1.17 H new ATOM 0 HD21 LEU A 25 0.775 0.535 2.749 1.00 1.11 H new ATOM 0 HD22 LEU A 25 -0.336 1.660 1.932 1.00 1.11 H new ATOM 0 HD23 LEU A 25 0.752 0.630 0.972 1.00 1.11 H new ATOM 371 N GLU A 26 3.251 3.871 -2.510 1.00 0.65 N ATOM 372 CA GLU A 26 3.126 4.630 -3.743 1.00 0.63 C ATOM 373 C GLU A 26 2.468 3.775 -4.829 1.00 0.47 C ATOM 374 O GLU A 26 2.264 2.577 -4.641 1.00 0.57 O ATOM 375 CB GLU A 26 4.488 5.152 -4.206 1.00 0.80 C ATOM 376 CG GLU A 26 5.234 5.829 -3.055 1.00 0.99 C ATOM 377 CD GLU A 26 6.311 6.779 -3.584 1.00 1.32 C ATOM 378 OE1 GLU A 26 5.932 7.702 -4.338 1.00 1.69 O ATOM 379 OE2 GLU A 26 7.488 6.562 -3.223 1.00 2.58 O ATOM 0 H GLU A 26 3.936 3.116 -2.542 1.00 0.65 H new ATOM 0 HA GLU A 26 2.489 5.493 -3.552 1.00 0.63 H new ATOM 0 HB2 GLU A 26 5.085 4.327 -4.596 1.00 0.80 H new ATOM 0 HB3 GLU A 26 4.352 5.861 -5.023 1.00 0.80 H new ATOM 0 HG2 GLU A 26 4.529 6.382 -2.435 1.00 0.99 H new ATOM 0 HG3 GLU A 26 5.692 5.072 -2.419 1.00 0.99 H new ATOM 386 N MET A 27 2.156 4.425 -5.941 1.00 0.66 N ATOM 387 CA MET A 27 1.526 3.739 -7.056 1.00 0.55 C ATOM 388 C MET A 27 2.476 2.711 -7.674 1.00 0.56 C ATOM 389 O MET A 27 3.655 2.994 -7.878 1.00 0.70 O ATOM 390 CB MET A 27 1.118 4.762 -8.119 1.00 0.59 C ATOM 391 CG MET A 27 0.014 5.684 -7.597 1.00 2.69 C ATOM 392 SD MET A 27 0.731 7.036 -6.679 1.00 4.60 S ATOM 393 CE MET A 27 -0.661 8.153 -6.636 1.00 5.92 C ATOM 0 H MET A 27 2.328 5.419 -6.093 1.00 0.66 H new ATOM 0 HA MET A 27 0.645 3.215 -6.686 1.00 0.55 H new ATOM 0 HB2 MET A 27 1.985 5.355 -8.410 1.00 0.59 H new ATOM 0 HB3 MET A 27 0.772 4.244 -9.013 1.00 0.59 H new ATOM 0 HG2 MET A 27 -0.573 6.070 -8.430 1.00 2.69 H new ATOM 0 HG3 MET A 27 -0.669 5.122 -6.959 1.00 2.69 H new ATOM 0 HE1 MET A 27 -0.385 9.058 -6.095 1.00 5.92 H new ATOM 0 HE2 MET A 27 -0.950 8.413 -7.654 1.00 5.92 H new ATOM 0 HE3 MET A 27 -1.499 7.671 -6.133 1.00 5.92 H new ATOM 403 N VAL A 28 1.926 1.540 -7.956 1.00 0.47 N ATOM 404 CA VAL A 28 2.709 0.468 -8.547 1.00 0.50 C ATOM 405 C VAL A 28 1.958 -0.101 -9.753 1.00 0.47 C ATOM 406 O VAL A 28 0.798 0.237 -9.982 1.00 0.41 O ATOM 407 CB VAL A 28 3.031 -0.590 -7.490 1.00 0.52 C ATOM 408 CG1 VAL A 28 3.226 0.051 -6.114 1.00 0.60 C ATOM 409 CG2 VAL A 28 1.945 -1.667 -7.443 1.00 0.45 C ATOM 0 H VAL A 28 0.947 1.309 -7.786 1.00 0.47 H new ATOM 0 HA VAL A 28 3.665 0.848 -8.908 1.00 0.50 H new ATOM 0 HB VAL A 28 3.968 -1.070 -7.772 1.00 0.52 H new ATOM 0 HG11 VAL A 28 3.454 -0.723 -5.381 1.00 0.60 H new ATOM 0 HG12 VAL A 28 4.050 0.763 -6.158 1.00 0.60 H new ATOM 0 HG13 VAL A 28 2.313 0.570 -5.822 1.00 0.60 H new ATOM 0 HG21 VAL A 28 2.199 -2.407 -6.683 1.00 0.45 H new ATOM 0 HG22 VAL A 28 0.988 -1.208 -7.197 1.00 0.45 H new ATOM 0 HG23 VAL A 28 1.874 -2.155 -8.415 1.00 0.45 H new ATOM 419 N PRO A 29 2.671 -0.976 -10.512 1.00 0.55 N ATOM 420 CA PRO A 29 2.084 -1.595 -11.689 1.00 0.58 C ATOM 421 C PRO A 29 1.091 -2.690 -11.296 1.00 0.52 C ATOM 422 O PRO A 29 1.482 -3.722 -10.753 1.00 0.53 O ATOM 423 CB PRO A 29 3.267 -2.124 -12.485 1.00 0.70 C ATOM 424 CG PRO A 29 4.429 -2.194 -11.509 1.00 0.74 C ATOM 425 CD PRO A 29 4.047 -1.399 -10.271 1.00 0.65 C ATOM 0 HA PRO A 29 1.499 -0.895 -12.285 1.00 0.58 H new ATOM 0 HB2 PRO A 29 3.048 -3.107 -12.903 1.00 0.70 H new ATOM 0 HB3 PRO A 29 3.500 -1.466 -13.322 1.00 0.70 H new ATOM 0 HG2 PRO A 29 4.645 -3.230 -11.246 1.00 0.74 H new ATOM 0 HG3 PRO A 29 5.333 -1.785 -11.961 1.00 0.74 H new ATOM 0 HD2 PRO A 29 4.122 -2.008 -9.370 1.00 0.65 H new ATOM 0 HD3 PRO A 29 4.706 -0.542 -10.132 1.00 0.65 H new ATOM 433 N TRP A 30 -0.175 -2.428 -11.585 1.00 0.50 N ATOM 434 CA TRP A 30 -1.227 -3.379 -11.268 1.00 0.48 C ATOM 435 C TRP A 30 -2.120 -3.525 -12.503 1.00 0.57 C ATOM 436 O TRP A 30 -1.935 -2.819 -13.493 1.00 1.11 O ATOM 437 CB TRP A 30 -2.000 -2.946 -10.021 1.00 0.42 C ATOM 438 CG TRP A 30 -3.120 -3.906 -9.617 1.00 0.42 C ATOM 439 CD1 TRP A 30 -4.430 -3.646 -9.504 1.00 0.43 C ATOM 440 CD2 TRP A 30 -2.975 -5.301 -9.276 1.00 0.46 C ATOM 441 NE1 TRP A 30 -5.136 -4.766 -9.117 1.00 0.47 N ATOM 442 CE2 TRP A 30 -4.223 -5.805 -8.974 1.00 0.48 C ATOM 443 CE3 TRP A 30 -1.827 -6.111 -9.225 1.00 0.50 C ATOM 444 CZ2 TRP A 30 -4.443 -7.136 -8.599 1.00 0.53 C ATOM 445 CZ3 TRP A 30 -2.063 -7.438 -8.849 1.00 0.55 C ATOM 446 CH2 TRP A 30 -3.313 -7.961 -8.541 1.00 0.57 C ATOM 0 H TRP A 30 -0.496 -1.571 -12.035 1.00 0.50 H new ATOM 0 HA TRP A 30 -0.805 -4.354 -11.025 1.00 0.48 H new ATOM 0 HB2 TRP A 30 -1.302 -2.848 -9.189 1.00 0.42 H new ATOM 0 HB3 TRP A 30 -2.428 -1.959 -10.196 1.00 0.42 H new ATOM 0 HD1 TRP A 30 -4.877 -2.681 -9.692 1.00 0.43 H new ATOM 0 HE1 TRP A 30 -6.143 -4.822 -8.964 1.00 0.47 H new ATOM 0 HE3 TRP A 30 -0.840 -5.738 -9.458 1.00 0.50 H new ATOM 0 HZ2 TRP A 30 -5.431 -7.506 -8.367 1.00 0.53 H new ATOM 0 HZ3 TRP A 30 -1.214 -8.103 -8.794 1.00 0.55 H new ATOM 0 HH2 TRP A 30 -3.413 -8.999 -8.258 1.00 0.57 H new ATOM 457 N ASP A 31 -3.067 -4.445 -12.402 1.00 0.71 N ATOM 458 CA ASP A 31 -3.988 -4.693 -13.498 1.00 0.75 C ATOM 459 C ASP A 31 -5.390 -4.942 -12.935 1.00 0.92 C ATOM 460 O ASP A 31 -5.974 -6.001 -13.162 1.00 1.83 O ATOM 461 CB ASP A 31 -3.573 -5.930 -14.298 1.00 0.80 C ATOM 462 CG ASP A 31 -3.891 -5.869 -15.793 1.00 0.82 C ATOM 463 OD1 ASP A 31 -3.223 -5.070 -16.484 1.00 2.01 O ATOM 464 OD2 ASP A 31 -4.794 -6.624 -16.212 1.00 1.68 O ATOM 0 H ASP A 31 -3.217 -5.028 -11.578 1.00 0.71 H new ATOM 0 HA ASP A 31 -3.976 -3.821 -14.151 1.00 0.75 H new ATOM 0 HB2 ASP A 31 -2.500 -6.080 -14.176 1.00 0.80 H new ATOM 0 HB3 ASP A 31 -4.068 -6.803 -13.872 1.00 0.80 H new ATOM 469 N GLY A 32 -5.886 -3.950 -12.211 1.00 0.63 N ATOM 470 CA GLY A 32 -7.208 -4.049 -11.614 1.00 0.62 C ATOM 471 C GLY A 32 -7.841 -2.665 -11.454 1.00 0.60 C ATOM 472 O GLY A 32 -9.051 -2.512 -11.606 1.00 0.72 O ATOM 0 H GLY A 32 -5.397 -3.074 -12.024 1.00 0.63 H new ATOM 0 HA2 GLY A 32 -7.847 -4.675 -12.237 1.00 0.62 H new ATOM 0 HA3 GLY A 32 -7.136 -4.535 -10.641 1.00 0.62 H new ATOM 476 N CYS A 33 -6.994 -1.694 -11.148 1.00 0.57 N ATOM 477 CA CYS A 33 -7.456 -0.328 -10.965 1.00 0.61 C ATOM 478 C CYS A 33 -7.813 0.246 -12.337 1.00 0.63 C ATOM 479 O CYS A 33 -7.452 -0.324 -13.366 1.00 0.65 O ATOM 480 CB CYS A 33 -6.416 0.529 -10.241 1.00 0.66 C ATOM 481 SG CYS A 33 -7.048 1.022 -8.595 1.00 0.91 S ATOM 0 H CYS A 33 -5.990 -1.825 -11.022 1.00 0.57 H new ATOM 0 HA CYS A 33 -8.341 -0.323 -10.329 1.00 0.61 H new ATOM 0 HB2 CYS A 33 -5.486 -0.029 -10.131 1.00 0.66 H new ATOM 0 HB3 CYS A 33 -6.188 1.416 -10.833 1.00 0.66 H new ATOM 0 HG CYS A 33 -6.157 1.747 -7.987 1.00 0.91 H new ATOM 487 N LYS A 34 -8.517 1.368 -12.309 1.00 0.70 N ATOM 488 CA LYS A 34 -8.927 2.026 -13.538 1.00 0.76 C ATOM 489 C LYS A 34 -7.684 2.424 -14.337 1.00 0.71 C ATOM 490 O LYS A 34 -7.738 2.537 -15.560 1.00 0.78 O ATOM 491 CB LYS A 34 -9.862 3.196 -13.233 1.00 0.86 C ATOM 492 CG LYS A 34 -11.304 2.862 -13.624 1.00 1.02 C ATOM 493 CD LYS A 34 -11.715 3.610 -14.894 1.00 1.88 C ATOM 494 CE LYS A 34 -11.661 2.689 -16.115 1.00 2.90 C ATOM 495 NZ LYS A 34 -12.149 3.397 -17.320 1.00 3.76 N ATOM 0 H LYS A 34 -8.814 1.838 -11.454 1.00 0.70 H new ATOM 0 HA LYS A 34 -9.503 1.343 -14.162 1.00 0.76 H new ATOM 0 HB2 LYS A 34 -9.816 3.436 -12.171 1.00 0.86 H new ATOM 0 HB3 LYS A 34 -9.530 4.082 -13.775 1.00 0.86 H new ATOM 0 HG2 LYS A 34 -11.402 1.788 -13.782 1.00 1.02 H new ATOM 0 HG3 LYS A 34 -11.976 3.127 -12.808 1.00 1.02 H new ATOM 0 HD2 LYS A 34 -12.724 4.006 -14.777 1.00 1.88 H new ATOM 0 HD3 LYS A 34 -11.054 4.463 -15.048 1.00 1.88 H new ATOM 0 HE2 LYS A 34 -10.638 2.348 -16.276 1.00 2.90 H new ATOM 0 HE3 LYS A 34 -12.269 1.802 -15.936 1.00 2.90 H new ATOM 0 HZ1 LYS A 34 -12.106 2.758 -18.139 1.00 3.76 H new ATOM 0 HZ2 LYS A 34 -13.132 3.701 -17.170 1.00 3.76 H new ATOM 0 HZ3 LYS A 34 -11.552 4.230 -17.499 1.00 3.76 H new ATOM 509 N ALA A 35 -6.592 2.625 -13.612 1.00 0.63 N ATOM 510 CA ALA A 35 -5.339 3.009 -14.238 1.00 0.61 C ATOM 511 C ALA A 35 -4.341 1.856 -14.117 1.00 0.57 C ATOM 512 O ALA A 35 -3.136 2.054 -14.274 1.00 0.60 O ATOM 513 CB ALA A 35 -4.822 4.298 -13.597 1.00 0.60 C ATOM 0 H ALA A 35 -6.550 2.529 -12.597 1.00 0.63 H new ATOM 0 HA ALA A 35 -5.485 3.209 -15.299 1.00 0.61 H new ATOM 0 HB1 ALA A 35 -3.882 4.586 -14.067 1.00 0.60 H new ATOM 0 HB2 ALA A 35 -5.555 5.093 -13.735 1.00 0.60 H new ATOM 0 HB3 ALA A 35 -4.660 4.135 -12.531 1.00 0.60 H new ATOM 519 N GLY A 36 -4.877 0.677 -13.839 1.00 0.54 N ATOM 520 CA GLY A 36 -4.048 -0.507 -13.695 1.00 0.53 C ATOM 521 C GLY A 36 -2.809 -0.209 -12.848 1.00 0.48 C ATOM 522 O GLY A 36 -1.685 -0.466 -13.275 1.00 0.52 O ATOM 0 H GLY A 36 -5.876 0.516 -13.710 1.00 0.54 H new ATOM 0 HA2 GLY A 36 -4.626 -1.306 -13.231 1.00 0.53 H new ATOM 0 HA3 GLY A 36 -3.743 -0.864 -14.679 1.00 0.53 H new ATOM 526 N GLN A 37 -3.056 0.328 -11.662 1.00 0.45 N ATOM 527 CA GLN A 37 -1.975 0.664 -10.752 1.00 0.41 C ATOM 528 C GLN A 37 -2.472 0.645 -9.306 1.00 0.39 C ATOM 529 O GLN A 37 -3.372 1.404 -8.946 1.00 0.42 O ATOM 530 CB GLN A 37 -1.363 2.022 -11.104 1.00 0.44 C ATOM 531 CG GLN A 37 -2.444 3.099 -11.206 1.00 0.46 C ATOM 532 CD GLN A 37 -2.286 4.143 -10.098 1.00 0.50 C ATOM 533 OE1 GLN A 37 -1.441 5.021 -10.154 1.00 0.58 O ATOM 534 NE2 GLN A 37 -3.141 3.997 -9.092 1.00 0.49 N ATOM 0 H GLN A 37 -3.990 0.539 -11.310 1.00 0.45 H new ATOM 0 HA GLN A 37 -1.193 -0.088 -10.856 1.00 0.41 H new ATOM 0 HB2 GLN A 37 -0.634 2.304 -10.345 1.00 0.44 H new ATOM 0 HB3 GLN A 37 -0.826 1.949 -12.050 1.00 0.44 H new ATOM 0 HG2 GLN A 37 -2.387 3.586 -12.180 1.00 0.46 H new ATOM 0 HG3 GLN A 37 -3.429 2.638 -11.138 1.00 0.46 H new ATOM 0 HE21 GLN A 37 -3.824 3.239 -9.109 1.00 0.49 H new ATOM 0 HE22 GLN A 37 -3.115 4.643 -8.303 1.00 0.49 H new ATOM 543 N ILE A 38 -1.868 -0.230 -8.516 1.00 0.36 N ATOM 544 CA ILE A 38 -2.239 -0.358 -7.118 1.00 0.39 C ATOM 545 C ILE A 38 -1.256 0.440 -6.259 1.00 0.38 C ATOM 546 O ILE A 38 -0.060 0.478 -6.549 1.00 0.41 O ATOM 547 CB ILE A 38 -2.343 -1.832 -6.722 1.00 0.43 C ATOM 548 CG1 ILE A 38 -3.560 -2.076 -5.829 1.00 0.49 C ATOM 549 CG2 ILE A 38 -1.047 -2.318 -6.072 1.00 0.67 C ATOM 550 CD1 ILE A 38 -4.513 -3.091 -6.464 1.00 0.47 C ATOM 0 H ILE A 38 -1.123 -0.858 -8.818 1.00 0.36 H new ATOM 0 HA ILE A 38 -3.229 0.064 -6.948 1.00 0.39 H new ATOM 0 HB ILE A 38 -2.488 -2.419 -7.629 1.00 0.43 H new ATOM 0 HG12 ILE A 38 -3.233 -2.439 -4.855 1.00 0.49 H new ATOM 0 HG13 ILE A 38 -4.085 -1.136 -5.659 1.00 0.49 H new ATOM 0 HG21 ILE A 38 -1.148 -3.369 -5.800 1.00 0.67 H new ATOM 0 HG22 ILE A 38 -0.222 -2.203 -6.775 1.00 0.67 H new ATOM 0 HG23 ILE A 38 -0.846 -1.729 -5.177 1.00 0.67 H new ATOM 0 HD11 ILE A 38 -5.370 -3.246 -5.808 1.00 0.47 H new ATOM 0 HD12 ILE A 38 -4.857 -2.714 -7.427 1.00 0.47 H new ATOM 0 HD13 ILE A 38 -3.992 -4.037 -6.610 1.00 0.47 H new ATOM 562 N ALA A 39 -1.795 1.060 -5.219 1.00 0.41 N ATOM 563 CA ALA A 39 -0.980 1.854 -4.316 1.00 0.43 C ATOM 564 C ALA A 39 -0.352 0.940 -3.262 1.00 0.50 C ATOM 565 O ALA A 39 -1.029 0.496 -2.336 1.00 0.63 O ATOM 566 CB ALA A 39 -1.837 2.958 -3.693 1.00 0.51 C ATOM 0 H ALA A 39 -2.787 1.028 -4.982 1.00 0.41 H new ATOM 0 HA ALA A 39 -0.167 2.337 -4.858 1.00 0.43 H new ATOM 0 HB1 ALA A 39 -1.226 3.554 -3.015 1.00 0.51 H new ATOM 0 HB2 ALA A 39 -2.235 3.598 -4.481 1.00 0.51 H new ATOM 0 HB3 ALA A 39 -2.661 2.510 -3.139 1.00 0.51 H new ATOM 572 N SER A 40 0.936 0.682 -3.441 1.00 0.49 N ATOM 573 CA SER A 40 1.662 -0.172 -2.517 1.00 0.61 C ATOM 574 C SER A 40 3.155 0.161 -2.560 1.00 0.46 C ATOM 575 O SER A 40 3.563 1.115 -3.220 1.00 0.52 O ATOM 576 CB SER A 40 1.439 -1.651 -2.842 1.00 0.94 C ATOM 577 OG SER A 40 0.491 -2.253 -1.965 1.00 1.64 O ATOM 0 H SER A 40 1.494 1.049 -4.212 1.00 0.49 H new ATOM 0 HA SER A 40 1.283 0.012 -1.512 1.00 0.61 H new ATOM 0 HB2 SER A 40 1.093 -1.748 -3.871 1.00 0.94 H new ATOM 0 HB3 SER A 40 2.387 -2.184 -2.773 1.00 0.94 H new ATOM 0 HG SER A 40 0.156 -3.082 -2.365 1.00 1.64 H new ATOM 583 N SER A 41 3.930 -0.644 -1.848 1.00 0.54 N ATOM 584 CA SER A 41 5.368 -0.448 -1.797 1.00 0.64 C ATOM 585 C SER A 41 5.997 -0.838 -3.136 1.00 0.84 C ATOM 586 O SER A 41 5.838 -1.967 -3.595 1.00 1.71 O ATOM 587 CB SER A 41 5.995 -1.256 -0.660 1.00 1.30 C ATOM 588 OG SER A 41 6.047 -0.515 0.556 1.00 1.80 O ATOM 0 H SER A 41 3.588 -1.434 -1.301 1.00 0.54 H new ATOM 0 HA SER A 41 5.562 0.607 -1.605 1.00 0.64 H new ATOM 0 HB2 SER A 41 5.420 -2.169 -0.504 1.00 1.30 H new ATOM 0 HB3 SER A 41 7.003 -1.559 -0.943 1.00 1.30 H new ATOM 0 HG SER A 41 6.452 -1.066 1.258 1.00 1.80 H new ATOM 594 N PRO A 42 6.719 0.145 -3.740 1.00 0.76 N ATOM 595 CA PRO A 42 7.374 -0.086 -5.017 1.00 1.24 C ATOM 596 C PRO A 42 8.627 -0.946 -4.843 1.00 1.09 C ATOM 597 O PRO A 42 8.787 -1.959 -5.524 1.00 1.97 O ATOM 598 CB PRO A 42 7.676 1.302 -5.559 1.00 1.82 C ATOM 599 CG PRO A 42 7.604 2.240 -4.366 1.00 2.00 C ATOM 600 CD PRO A 42 6.930 1.494 -3.226 1.00 1.39 C ATOM 0 HA PRO A 42 6.751 -0.646 -5.715 1.00 1.24 H new ATOM 0 HB2 PRO A 42 8.662 1.334 -6.022 1.00 1.82 H new ATOM 0 HB3 PRO A 42 6.955 1.588 -6.325 1.00 1.82 H new ATOM 0 HG2 PRO A 42 8.603 2.562 -4.073 1.00 2.00 H new ATOM 0 HG3 PRO A 42 7.041 3.138 -4.620 1.00 2.00 H new ATOM 0 HD2 PRO A 42 7.556 1.484 -2.334 1.00 1.39 H new ATOM 0 HD3 PRO A 42 5.987 1.964 -2.948 1.00 1.39 H new ATOM 608 N ARG A 43 9.482 -0.513 -3.930 1.00 0.92 N ATOM 609 CA ARG A 43 10.715 -1.232 -3.658 1.00 1.69 C ATOM 610 C ARG A 43 11.107 -1.077 -2.188 1.00 1.86 C ATOM 611 O ARG A 43 12.252 -1.332 -1.816 1.00 3.17 O ATOM 612 CB ARG A 43 11.856 -0.720 -4.540 1.00 2.21 C ATOM 613 CG ARG A 43 11.562 -0.974 -6.019 1.00 2.21 C ATOM 614 CD ARG A 43 12.736 -0.532 -6.896 1.00 1.72 C ATOM 615 NE ARG A 43 12.415 -0.756 -8.323 1.00 2.22 N ATOM 616 CZ ARG A 43 11.745 0.118 -9.087 1.00 2.97 C ATOM 617 NH1 ARG A 43 11.321 1.278 -8.566 1.00 3.71 N ATOM 618 NH2 ARG A 43 11.498 -0.169 -10.373 1.00 4.07 N ATOM 0 H ARG A 43 9.346 0.327 -3.368 1.00 0.92 H new ATOM 0 HA ARG A 43 10.542 -2.285 -3.882 1.00 1.69 H new ATOM 0 HB2 ARG A 43 11.999 0.347 -4.372 1.00 2.21 H new ATOM 0 HB3 ARG A 43 12.786 -1.214 -4.260 1.00 2.21 H new ATOM 0 HG2 ARG A 43 11.364 -2.034 -6.177 1.00 2.21 H new ATOM 0 HG3 ARG A 43 10.661 -0.435 -6.312 1.00 2.21 H new ATOM 0 HD2 ARG A 43 12.952 0.523 -6.725 1.00 1.72 H new ATOM 0 HD3 ARG A 43 13.633 -1.089 -6.625 1.00 1.72 H new ATOM 0 HE ARG A 43 12.722 -1.629 -8.752 1.00 2.22 H new ATOM 0 HH11 ARG A 43 11.508 1.496 -7.587 1.00 3.71 H new ATOM 0 HH12 ARG A 43 10.811 1.942 -9.148 1.00 3.71 H new ATOM 0 HH21 ARG A 43 11.820 -1.052 -10.769 1.00 4.07 H new ATOM 0 HH22 ARG A 43 10.988 0.496 -10.955 1.00 4.07 H new ATOM 632 N THR A 44 10.135 -0.660 -1.390 1.00 1.10 N ATOM 633 CA THR A 44 10.365 -0.468 0.032 1.00 1.05 C ATOM 634 C THR A 44 11.713 0.215 0.267 1.00 0.96 C ATOM 635 O THR A 44 12.297 0.089 1.343 1.00 1.00 O ATOM 636 CB THR A 44 10.246 -1.830 0.718 1.00 1.20 C ATOM 637 OG1 THR A 44 8.921 -2.258 0.412 1.00 1.49 O ATOM 638 CG2 THR A 44 10.258 -1.720 2.244 1.00 1.38 C ATOM 0 H THR A 44 9.187 -0.450 -1.701 1.00 1.10 H new ATOM 0 HA THR A 44 9.619 0.197 0.467 1.00 1.05 H new ATOM 0 HB THR A 44 11.065 -2.472 0.394 1.00 1.20 H new ATOM 0 HG1 THR A 44 8.759 -3.135 0.817 1.00 1.49 H new ATOM 0 HG21 THR A 44 10.171 -2.715 2.681 1.00 1.38 H new ATOM 0 HG22 THR A 44 11.192 -1.261 2.568 1.00 1.38 H new ATOM 0 HG23 THR A 44 9.419 -1.105 2.571 1.00 1.38 H new ATOM 646 N GLU A 45 12.169 0.922 -0.756 1.00 1.13 N ATOM 647 CA GLU A 45 13.437 1.625 -0.674 1.00 1.37 C ATOM 648 C GLU A 45 13.487 2.485 0.590 1.00 1.33 C ATOM 649 O GLU A 45 14.555 2.680 1.171 1.00 1.44 O ATOM 650 CB GLU A 45 13.675 2.475 -1.924 1.00 1.80 C ATOM 651 CG GLU A 45 12.598 3.551 -2.069 1.00 2.14 C ATOM 652 CD GLU A 45 13.062 4.668 -3.008 1.00 2.63 C ATOM 653 OE1 GLU A 45 13.262 4.360 -4.202 1.00 3.29 O ATOM 654 OE2 GLU A 45 13.205 5.805 -2.508 1.00 3.14 O ATOM 0 H GLU A 45 11.682 1.023 -1.647 1.00 1.13 H new ATOM 0 HA GLU A 45 14.236 0.886 -0.619 1.00 1.37 H new ATOM 0 HB2 GLU A 45 14.657 2.944 -1.867 1.00 1.80 H new ATOM 0 HB3 GLU A 45 13.677 1.836 -2.807 1.00 1.80 H new ATOM 0 HG2 GLU A 45 11.682 3.104 -2.455 1.00 2.14 H new ATOM 0 HG3 GLU A 45 12.362 3.968 -1.090 1.00 2.14 H new ATOM 661 N ASP A 46 12.321 2.977 0.980 1.00 1.28 N ATOM 662 CA ASP A 46 12.217 3.812 2.165 1.00 1.34 C ATOM 663 C ASP A 46 11.629 2.989 3.313 1.00 1.23 C ATOM 664 O ASP A 46 11.548 1.765 3.226 1.00 2.28 O ATOM 665 CB ASP A 46 11.295 5.007 1.918 1.00 1.93 C ATOM 666 CG ASP A 46 11.988 6.371 1.925 1.00 2.44 C ATOM 667 OD1 ASP A 46 12.503 6.752 0.852 1.00 2.84 O ATOM 668 OD2 ASP A 46 11.987 7.002 3.004 1.00 3.29 O ATOM 0 H ASP A 46 11.438 2.813 0.496 1.00 1.28 H new ATOM 0 HA ASP A 46 13.215 4.173 2.412 1.00 1.34 H new ATOM 0 HB2 ASP A 46 10.801 4.872 0.956 1.00 1.93 H new ATOM 0 HB3 ASP A 46 10.515 5.009 2.680 1.00 1.93 H new ATOM 673 N CYS A 47 11.233 3.695 4.362 1.00 1.10 N ATOM 674 CA CYS A 47 10.655 3.046 5.526 1.00 0.90 C ATOM 675 C CYS A 47 11.788 2.410 6.333 1.00 1.04 C ATOM 676 O CYS A 47 12.654 1.740 5.774 1.00 1.31 O ATOM 677 CB CYS A 47 9.590 2.020 5.131 1.00 1.05 C ATOM 678 SG CYS A 47 8.606 1.361 6.525 1.00 1.19 S ATOM 0 H CYS A 47 11.301 4.710 4.430 1.00 1.10 H new ATOM 0 HA CYS A 47 10.143 3.786 6.141 1.00 0.90 H new ATOM 0 HB2 CYS A 47 8.912 2.479 4.411 1.00 1.05 H new ATOM 0 HB3 CYS A 47 10.078 1.188 4.623 1.00 1.05 H new ATOM 683 N VAL A 48 11.744 2.642 7.638 1.00 1.30 N ATOM 684 CA VAL A 48 12.757 2.101 8.529 1.00 1.74 C ATOM 685 C VAL A 48 12.171 1.966 9.935 1.00 1.71 C ATOM 686 O VAL A 48 12.829 2.299 10.920 1.00 2.20 O ATOM 687 CB VAL A 48 14.013 2.972 8.484 1.00 2.25 C ATOM 688 CG1 VAL A 48 13.711 4.394 8.961 1.00 2.34 C ATOM 689 CG2 VAL A 48 15.143 2.346 9.305 1.00 3.34 C ATOM 0 H VAL A 48 11.023 3.197 8.099 1.00 1.30 H new ATOM 0 HA VAL A 48 13.059 1.105 8.206 1.00 1.74 H new ATOM 0 HB VAL A 48 14.344 3.030 7.447 1.00 2.25 H new ATOM 0 HG11 VAL A 48 14.621 4.993 8.919 1.00 2.34 H new ATOM 0 HG12 VAL A 48 12.953 4.840 8.317 1.00 2.34 H new ATOM 0 HG13 VAL A 48 13.344 4.363 9.987 1.00 2.34 H new ATOM 0 HG21 VAL A 48 16.025 2.985 9.257 1.00 3.34 H new ATOM 0 HG22 VAL A 48 14.825 2.244 10.343 1.00 3.34 H new ATOM 0 HG23 VAL A 48 15.385 1.363 8.901 1.00 3.34 H new ATOM 699 N GLY A 49 10.942 1.475 9.987 1.00 1.57 N ATOM 700 CA GLY A 49 10.260 1.292 11.257 1.00 1.89 C ATOM 701 C GLY A 49 9.561 2.580 11.695 1.00 1.39 C ATOM 702 O GLY A 49 10.083 3.323 12.524 1.00 1.52 O ATOM 0 H GLY A 49 10.400 1.198 9.169 1.00 1.57 H new ATOM 0 HA2 GLY A 49 9.528 0.489 11.168 1.00 1.89 H new ATOM 0 HA3 GLY A 49 10.978 0.987 12.018 1.00 1.89 H new ATOM 706 N CYS A 50 8.390 2.806 11.118 1.00 1.35 N ATOM 707 CA CYS A 50 7.613 3.992 11.438 1.00 1.13 C ATOM 708 C CYS A 50 6.137 3.596 11.502 1.00 1.42 C ATOM 709 O CYS A 50 5.538 3.253 10.484 1.00 2.28 O ATOM 710 CB CYS A 50 7.859 5.118 10.432 1.00 1.14 C ATOM 711 SG CYS A 50 6.350 5.783 9.640 1.00 1.03 S ATOM 0 H CYS A 50 7.960 2.188 10.430 1.00 1.35 H new ATOM 0 HA CYS A 50 7.925 4.384 12.406 1.00 1.13 H new ATOM 0 HB2 CYS A 50 8.375 5.933 10.939 1.00 1.14 H new ATOM 0 HB3 CYS A 50 8.529 4.751 9.654 1.00 1.14 H new ATOM 716 N LYS A 51 5.592 3.657 12.708 1.00 1.73 N ATOM 717 CA LYS A 51 4.198 3.310 12.919 1.00 1.99 C ATOM 718 C LYS A 51 3.312 4.460 12.437 1.00 1.36 C ATOM 719 O LYS A 51 2.985 5.361 13.207 1.00 1.94 O ATOM 720 CB LYS A 51 3.957 2.918 14.378 1.00 2.88 C ATOM 721 CG LYS A 51 4.539 3.965 15.329 1.00 3.60 C ATOM 722 CD LYS A 51 3.691 4.084 16.598 1.00 4.23 C ATOM 723 CE LYS A 51 3.992 5.390 17.337 1.00 5.27 C ATOM 724 NZ LYS A 51 2.776 5.895 18.013 1.00 5.96 N ATOM 0 H LYS A 51 6.092 3.942 13.550 1.00 1.73 H new ATOM 0 HA LYS A 51 3.931 2.433 12.330 1.00 1.99 H new ATOM 0 HB2 LYS A 51 2.887 2.812 14.558 1.00 2.88 H new ATOM 0 HB3 LYS A 51 4.411 1.947 14.578 1.00 2.88 H new ATOM 0 HG2 LYS A 51 5.561 3.693 15.594 1.00 3.60 H new ATOM 0 HG3 LYS A 51 4.586 4.931 14.827 1.00 3.60 H new ATOM 0 HD2 LYS A 51 2.633 4.044 16.338 1.00 4.23 H new ATOM 0 HD3 LYS A 51 3.890 3.236 17.254 1.00 4.23 H new ATOM 0 HE2 LYS A 51 4.781 5.226 18.070 1.00 5.27 H new ATOM 0 HE3 LYS A 51 4.361 6.136 16.633 1.00 5.27 H new ATOM 0 HZ1 LYS A 51 2.998 6.782 18.510 1.00 5.96 H new ATOM 0 HZ2 LYS A 51 2.033 6.070 17.306 1.00 5.96 H new ATOM 0 HZ3 LYS A 51 2.441 5.188 18.699 1.00 5.96 H new ATOM 738 N ARG A 52 2.949 4.392 11.164 1.00 0.94 N ATOM 739 CA ARG A 52 2.107 5.416 10.570 1.00 1.10 C ATOM 740 C ARG A 52 1.512 4.916 9.252 1.00 1.17 C ATOM 741 O ARG A 52 1.762 5.495 8.195 1.00 2.63 O ATOM 742 CB ARG A 52 2.900 6.698 10.310 1.00 1.94 C ATOM 743 CG ARG A 52 2.509 7.795 11.302 1.00 2.57 C ATOM 744 CD ARG A 52 1.592 8.829 10.644 1.00 3.12 C ATOM 745 NE ARG A 52 0.216 8.694 11.172 1.00 3.82 N ATOM 746 CZ ARG A 52 -0.203 9.238 12.322 1.00 4.24 C ATOM 747 NH1 ARG A 52 0.643 9.956 13.071 1.00 4.39 N ATOM 748 NH2 ARG A 52 -1.470 9.063 12.723 1.00 5.20 N ATOM 0 H ARG A 52 3.223 3.643 10.528 1.00 0.94 H new ATOM 0 HA ARG A 52 1.305 5.635 11.274 1.00 1.10 H new ATOM 0 HB2 ARG A 52 3.967 6.493 10.392 1.00 1.94 H new ATOM 0 HB3 ARG A 52 2.719 7.042 9.292 1.00 1.94 H new ATOM 0 HG2 ARG A 52 2.005 7.351 12.160 1.00 2.57 H new ATOM 0 HG3 ARG A 52 3.406 8.287 11.678 1.00 2.57 H new ATOM 0 HD2 ARG A 52 1.967 9.834 10.836 1.00 3.12 H new ATOM 0 HD3 ARG A 52 1.591 8.690 9.563 1.00 3.12 H new ATOM 0 HE ARG A 52 -0.455 8.153 10.626 1.00 3.82 H new ATOM 0 HH11 ARG A 52 1.607 10.089 12.766 1.00 4.39 H new ATOM 0 HH12 ARG A 52 0.323 10.370 13.947 1.00 4.39 H new ATOM 0 HH21 ARG A 52 -2.115 8.516 12.152 1.00 5.20 H new ATOM 0 HH22 ARG A 52 -1.790 9.477 13.599 1.00 5.20 H new ATOM 762 N CYS A 53 0.737 3.847 9.357 1.00 1.09 N ATOM 763 CA CYS A 53 0.104 3.263 8.187 1.00 0.81 C ATOM 764 C CYS A 53 -0.930 2.240 8.660 1.00 1.04 C ATOM 765 O CYS A 53 -0.987 1.126 8.142 1.00 1.93 O ATOM 766 CB CYS A 53 1.132 2.640 7.240 1.00 0.69 C ATOM 767 SG CYS A 53 2.295 1.471 8.032 1.00 1.05 S ATOM 0 H CYS A 53 0.533 3.370 10.235 1.00 1.09 H new ATOM 0 HA CYS A 53 -0.396 4.043 7.613 1.00 0.81 H new ATOM 0 HB2 CYS A 53 0.602 2.119 6.443 1.00 0.69 H new ATOM 0 HB3 CYS A 53 1.705 3.440 6.772 1.00 0.69 H new ATOM 772 N GLU A 54 -1.722 2.655 9.638 1.00 1.60 N ATOM 773 CA GLU A 54 -2.751 1.788 10.186 1.00 1.83 C ATOM 774 C GLU A 54 -4.060 1.966 9.416 1.00 1.87 C ATOM 775 O GLU A 54 -5.123 2.119 10.017 1.00 2.34 O ATOM 776 CB GLU A 54 -2.952 2.053 11.679 1.00 2.08 C ATOM 777 CG GLU A 54 -3.463 3.475 11.920 1.00 3.56 C ATOM 778 CD GLU A 54 -2.554 4.225 12.896 1.00 3.84 C ATOM 779 OE1 GLU A 54 -2.136 3.589 13.888 1.00 3.57 O ATOM 780 OE2 GLU A 54 -2.297 5.419 12.628 1.00 5.14 O ATOM 0 H GLU A 54 -1.672 3.580 10.065 1.00 1.60 H new ATOM 0 HA GLU A 54 -2.425 0.754 10.075 1.00 1.83 H new ATOM 0 HB2 GLU A 54 -3.662 1.334 12.087 1.00 2.08 H new ATOM 0 HB3 GLU A 54 -2.010 1.907 12.208 1.00 2.08 H new ATOM 0 HG2 GLU A 54 -3.510 4.014 10.974 1.00 3.56 H new ATOM 0 HG3 GLU A 54 -4.478 3.439 12.317 1.00 3.56 H new ATOM 787 N THR A 55 -3.943 1.941 8.097 1.00 1.51 N ATOM 788 CA THR A 55 -5.104 2.099 7.238 1.00 1.62 C ATOM 789 C THR A 55 -4.861 1.429 5.884 1.00 1.73 C ATOM 790 O THR A 55 -5.488 1.789 4.888 1.00 2.65 O ATOM 791 CB THR A 55 -5.414 3.593 7.130 1.00 1.69 C ATOM 792 OG1 THR A 55 -6.695 3.638 6.508 1.00 2.59 O ATOM 793 CG2 THR A 55 -4.494 4.311 6.141 1.00 1.62 C ATOM 0 H THR A 55 -3.061 1.814 7.601 1.00 1.51 H new ATOM 0 HA THR A 55 -5.978 1.602 7.659 1.00 1.62 H new ATOM 0 HB THR A 55 -5.322 4.055 8.113 1.00 1.69 H new ATOM 0 HG1 THR A 55 -7.044 4.553 6.544 1.00 2.59 H new ATOM 0 HG21 THR A 55 -4.756 5.368 6.102 1.00 1.62 H new ATOM 0 HG22 THR A 55 -3.459 4.206 6.465 1.00 1.62 H new ATOM 0 HG23 THR A 55 -4.611 3.871 5.150 1.00 1.62 H new ATOM 801 N ALA A 56 -3.950 0.467 5.891 1.00 1.27 N ATOM 802 CA ALA A 56 -3.616 -0.256 4.676 1.00 1.29 C ATOM 803 C ALA A 56 -4.904 -0.722 3.994 1.00 1.29 C ATOM 804 O ALA A 56 -5.046 -0.603 2.778 1.00 2.20 O ATOM 805 CB ALA A 56 -2.682 -1.421 5.014 1.00 1.37 C ATOM 0 H ALA A 56 -3.433 0.171 6.719 1.00 1.27 H new ATOM 0 HA ALA A 56 -3.088 0.393 3.977 1.00 1.29 H new ATOM 0 HB1 ALA A 56 -2.432 -1.963 4.102 1.00 1.37 H new ATOM 0 HB2 ALA A 56 -1.770 -1.036 5.469 1.00 1.37 H new ATOM 0 HB3 ALA A 56 -3.179 -2.095 5.712 1.00 1.37 H new ATOM 811 N CYS A 57 -5.812 -1.243 4.808 1.00 1.24 N ATOM 812 CA CYS A 57 -7.083 -1.727 4.299 1.00 1.16 C ATOM 813 C CYS A 57 -7.782 -2.508 5.413 1.00 1.39 C ATOM 814 O CYS A 57 -7.133 -2.974 6.349 1.00 1.69 O ATOM 815 CB CYS A 57 -6.903 -2.573 3.036 1.00 1.02 C ATOM 816 SG CYS A 57 -7.822 -1.971 1.572 1.00 0.92 S ATOM 0 H CYS A 57 -5.692 -1.340 5.816 1.00 1.24 H new ATOM 0 HA CYS A 57 -7.704 -0.881 4.005 1.00 1.16 H new ATOM 0 HB2 CYS A 57 -5.842 -2.613 2.790 1.00 1.02 H new ATOM 0 HB3 CYS A 57 -7.219 -3.594 3.251 1.00 1.02 H new ATOM 821 N PRO A 58 -9.129 -2.630 5.274 1.00 1.50 N ATOM 822 CA PRO A 58 -9.921 -3.347 6.257 1.00 1.76 C ATOM 823 C PRO A 58 -9.734 -4.859 6.117 1.00 1.59 C ATOM 824 O PRO A 58 -10.695 -5.620 6.222 1.00 2.43 O ATOM 825 CB PRO A 58 -11.353 -2.900 6.012 1.00 2.18 C ATOM 826 CG PRO A 58 -11.370 -2.313 4.610 1.00 2.20 C ATOM 827 CD PRO A 58 -9.930 -2.092 4.178 1.00 1.71 C ATOM 0 HA PRO A 58 -9.619 -3.126 7.281 1.00 1.76 H new ATOM 0 HB2 PRO A 58 -12.044 -3.739 6.093 1.00 2.18 H new ATOM 0 HB3 PRO A 58 -11.663 -2.160 6.750 1.00 2.18 H new ATOM 0 HG2 PRO A 58 -11.876 -2.988 3.920 1.00 2.20 H new ATOM 0 HG3 PRO A 58 -11.921 -1.372 4.597 1.00 2.20 H new ATOM 0 HD2 PRO A 58 -9.714 -2.605 3.241 1.00 1.71 H new ATOM 0 HD3 PRO A 58 -9.722 -1.034 4.018 1.00 1.71 H new ATOM 835 N THR A 59 -8.491 -5.250 5.879 1.00 1.74 N ATOM 836 CA THR A 59 -8.166 -6.658 5.722 1.00 1.87 C ATOM 837 C THR A 59 -8.651 -7.169 4.364 1.00 1.71 C ATOM 838 O THR A 59 -8.452 -8.335 4.029 1.00 2.28 O ATOM 839 CB THR A 59 -8.766 -7.417 6.907 1.00 2.20 C ATOM 840 OG1 THR A 59 -8.426 -6.619 8.039 1.00 2.87 O ATOM 841 CG2 THR A 59 -8.061 -8.750 7.166 1.00 2.92 C ATOM 0 H THR A 59 -7.696 -4.617 5.791 1.00 1.74 H new ATOM 0 HA THR A 59 -7.088 -6.818 5.728 1.00 1.87 H new ATOM 0 HB THR A 59 -9.826 -7.596 6.724 1.00 2.20 H new ATOM 0 HG1 THR A 59 -8.778 -7.038 8.852 1.00 2.87 H new ATOM 0 HG21 THR A 59 -8.526 -9.248 8.017 1.00 2.92 H new ATOM 0 HG22 THR A 59 -8.146 -9.384 6.284 1.00 2.92 H new ATOM 0 HG23 THR A 59 -7.008 -8.569 7.382 1.00 2.92 H new ATOM 849 N ASP A 60 -9.280 -6.271 3.620 1.00 2.01 N ATOM 850 CA ASP A 60 -9.795 -6.617 2.307 1.00 2.08 C ATOM 851 C ASP A 60 -8.833 -7.592 1.626 1.00 1.71 C ATOM 852 O ASP A 60 -9.261 -8.479 0.890 1.00 1.81 O ATOM 853 CB ASP A 60 -9.918 -5.376 1.419 1.00 2.35 C ATOM 854 CG ASP A 60 -11.338 -5.055 0.950 1.00 3.01 C ATOM 855 OD1 ASP A 60 -11.938 -5.944 0.308 1.00 3.06 O ATOM 856 OD2 ASP A 60 -11.792 -3.927 1.242 1.00 4.19 O ATOM 0 H ASP A 60 -9.444 -5.305 3.902 1.00 2.01 H new ATOM 0 HA ASP A 60 -10.780 -7.066 2.439 1.00 2.08 H new ATOM 0 HB2 ASP A 60 -9.529 -4.517 1.965 1.00 2.35 H new ATOM 0 HB3 ASP A 60 -9.284 -5.510 0.543 1.00 2.35 H new ATOM 861 N PHE A 61 -7.551 -7.393 1.896 1.00 1.46 N ATOM 862 CA PHE A 61 -6.525 -8.244 1.320 1.00 1.36 C ATOM 863 C PHE A 61 -5.471 -8.619 2.364 1.00 1.50 C ATOM 864 O PHE A 61 -5.643 -9.584 3.107 1.00 2.06 O ATOM 865 CB PHE A 61 -5.855 -7.443 0.202 1.00 1.26 C ATOM 866 CG PHE A 61 -6.696 -7.327 -1.071 1.00 1.27 C ATOM 867 CD1 PHE A 61 -6.717 -8.349 -1.968 1.00 1.82 C ATOM 868 CD2 PHE A 61 -7.424 -6.202 -1.305 1.00 2.71 C ATOM 869 CE1 PHE A 61 -7.497 -8.242 -3.149 1.00 1.92 C ATOM 870 CE2 PHE A 61 -8.205 -6.094 -2.487 1.00 3.03 C ATOM 871 CZ PHE A 61 -8.226 -7.116 -3.383 1.00 1.96 C ATOM 0 H PHE A 61 -7.200 -6.655 2.506 1.00 1.46 H new ATOM 0 HA PHE A 61 -6.973 -9.166 0.949 1.00 1.36 H new ATOM 0 HB2 PHE A 61 -5.632 -6.442 0.570 1.00 1.26 H new ATOM 0 HB3 PHE A 61 -4.902 -7.911 -0.046 1.00 1.26 H new ATOM 0 HD1 PHE A 61 -6.140 -9.243 -1.782 1.00 1.82 H new ATOM 0 HD2 PHE A 61 -7.408 -5.391 -0.592 1.00 2.71 H new ATOM 0 HE1 PHE A 61 -7.512 -9.053 -3.862 1.00 1.92 H new ATOM 0 HE2 PHE A 61 -8.782 -5.200 -2.674 1.00 3.03 H new ATOM 0 HZ PHE A 61 -8.821 -7.035 -4.281 1.00 1.96 H new ATOM 881 N LEU A 62 -4.404 -7.834 2.388 1.00 1.43 N ATOM 882 CA LEU A 62 -3.322 -8.070 3.329 1.00 1.61 C ATOM 883 C LEU A 62 -3.155 -9.577 3.539 1.00 1.75 C ATOM 884 O LEU A 62 -3.126 -10.342 2.577 1.00 3.18 O ATOM 885 CB LEU A 62 -3.560 -7.292 4.625 1.00 1.77 C ATOM 886 CG LEU A 62 -3.804 -5.790 4.469 1.00 1.63 C ATOM 887 CD1 LEU A 62 -2.720 -5.144 3.605 1.00 2.82 C ATOM 888 CD2 LEU A 62 -5.209 -5.517 3.925 1.00 2.70 C ATOM 0 H LEU A 62 -4.266 -7.034 1.771 1.00 1.43 H new ATOM 0 HA LEU A 62 -2.380 -7.696 2.928 1.00 1.61 H new ATOM 0 HB2 LEU A 62 -4.419 -7.729 5.135 1.00 1.77 H new ATOM 0 HB3 LEU A 62 -2.697 -7.434 5.275 1.00 1.77 H new ATOM 0 HG LEU A 62 -3.745 -5.330 5.456 1.00 1.63 H new ATOM 0 HD11 LEU A 62 -2.918 -4.076 3.511 1.00 2.82 H new ATOM 0 HD12 LEU A 62 -1.746 -5.292 4.072 1.00 2.82 H new ATOM 0 HD13 LEU A 62 -2.722 -5.602 2.616 1.00 2.82 H new ATOM 0 HD21 LEU A 62 -5.357 -4.442 3.823 1.00 2.70 H new ATOM 0 HD22 LEU A 62 -5.321 -5.992 2.951 1.00 2.70 H new ATOM 0 HD23 LEU A 62 -5.951 -5.922 4.613 1.00 2.70 H new ATOM 900 N SER A 63 -3.049 -9.958 4.803 1.00 1.86 N ATOM 901 CA SER A 63 -2.885 -11.358 5.152 1.00 1.99 C ATOM 902 C SER A 63 -1.590 -11.901 4.545 1.00 2.02 C ATOM 903 O SER A 63 -0.746 -11.133 4.086 1.00 3.66 O ATOM 904 CB SER A 63 -4.081 -12.188 4.679 1.00 2.63 C ATOM 905 OG SER A 63 -4.358 -13.275 5.558 1.00 3.51 O ATOM 0 H SER A 63 -3.074 -9.320 5.599 1.00 1.86 H new ATOM 0 HA SER A 63 -2.830 -11.435 6.238 1.00 1.99 H new ATOM 0 HB2 SER A 63 -4.960 -11.548 4.606 1.00 2.63 H new ATOM 0 HB3 SER A 63 -3.882 -12.572 3.679 1.00 2.63 H new ATOM 0 HG SER A 63 -5.129 -13.779 5.222 1.00 3.51 H new ATOM 911 N ILE A 64 -1.473 -13.221 4.563 1.00 2.12 N ATOM 912 CA ILE A 64 -0.295 -13.875 4.019 1.00 3.16 C ATOM 913 C ILE A 64 0.927 -13.495 4.859 1.00 2.39 C ATOM 914 O ILE A 64 1.393 -14.287 5.676 1.00 2.49 O ATOM 915 CB ILE A 64 -0.142 -13.554 2.532 1.00 4.56 C ATOM 916 CG1 ILE A 64 -1.407 -13.932 1.756 1.00 5.28 C ATOM 917 CG2 ILE A 64 1.107 -14.222 1.951 1.00 5.80 C ATOM 918 CD1 ILE A 64 -1.610 -13.008 0.554 1.00 6.50 C ATOM 0 H ILE A 64 -2.174 -13.855 4.946 1.00 2.12 H new ATOM 0 HA ILE A 64 -0.400 -14.958 4.078 1.00 3.16 H new ATOM 0 HB ILE A 64 -0.009 -12.477 2.428 1.00 4.56 H new ATOM 0 HG12 ILE A 64 -1.334 -14.965 1.417 1.00 5.28 H new ATOM 0 HG13 ILE A 64 -2.273 -13.873 2.415 1.00 5.28 H new ATOM 0 HG21 ILE A 64 1.191 -13.977 0.892 1.00 5.80 H new ATOM 0 HG22 ILE A 64 1.991 -13.862 2.478 1.00 5.80 H new ATOM 0 HG23 ILE A 64 1.029 -15.303 2.068 1.00 5.80 H new ATOM 0 HD11 ILE A 64 -2.515 -13.298 0.021 1.00 6.50 H new ATOM 0 HD12 ILE A 64 -1.707 -11.978 0.899 1.00 6.50 H new ATOM 0 HD13 ILE A 64 -0.753 -13.088 -0.115 1.00 6.50 H new ATOM 930 N ARG A 65 1.410 -12.283 4.626 1.00 2.00 N ATOM 931 CA ARG A 65 2.569 -11.789 5.352 1.00 1.44 C ATOM 932 C ARG A 65 2.157 -10.671 6.312 1.00 1.59 C ATOM 933 O ARG A 65 1.208 -9.937 6.044 1.00 2.81 O ATOM 934 CB ARG A 65 3.635 -11.259 4.390 1.00 1.51 C ATOM 935 CG ARG A 65 4.850 -12.187 4.352 1.00 2.02 C ATOM 936 CD ARG A 65 5.999 -11.619 5.189 1.00 2.88 C ATOM 937 NE ARG A 65 6.135 -12.383 6.448 1.00 3.85 N ATOM 938 CZ ARG A 65 6.751 -13.570 6.546 1.00 4.27 C ATOM 939 NH1 ARG A 65 7.291 -14.135 5.457 1.00 4.07 N ATOM 940 NH2 ARG A 65 6.826 -14.191 7.730 1.00 5.58 N ATOM 0 H ARG A 65 1.021 -11.629 3.946 1.00 2.00 H new ATOM 0 HA ARG A 65 2.987 -12.622 5.917 1.00 1.44 H new ATOM 0 HB2 ARG A 65 3.213 -11.166 3.389 1.00 1.51 H new ATOM 0 HB3 ARG A 65 3.945 -10.261 4.699 1.00 1.51 H new ATOM 0 HG2 ARG A 65 4.572 -13.171 4.729 1.00 2.02 H new ATOM 0 HG3 ARG A 65 5.178 -12.321 3.321 1.00 2.02 H new ATOM 0 HD2 ARG A 65 6.930 -11.666 4.623 1.00 2.88 H new ATOM 0 HD3 ARG A 65 5.813 -10.568 5.410 1.00 2.88 H new ATOM 0 HE ARG A 65 5.735 -11.981 7.296 1.00 3.85 H new ATOM 0 HH11 ARG A 65 7.233 -13.662 4.555 1.00 4.07 H new ATOM 0 HH12 ARG A 65 7.760 -15.038 5.530 1.00 4.07 H new ATOM 0 HH21 ARG A 65 6.414 -13.761 8.558 1.00 5.58 H new ATOM 0 HH22 ARG A 65 7.295 -15.094 7.804 1.00 5.58 H new ATOM 954 N VAL A 66 2.891 -10.578 7.410 1.00 1.62 N ATOM 955 CA VAL A 66 2.614 -9.563 8.412 1.00 1.81 C ATOM 956 C VAL A 66 3.907 -8.815 8.745 1.00 1.72 C ATOM 957 O VAL A 66 4.929 -9.434 9.038 1.00 2.16 O ATOM 958 CB VAL A 66 1.961 -10.202 9.639 1.00 2.35 C ATOM 959 CG1 VAL A 66 2.980 -11.014 10.441 1.00 2.96 C ATOM 960 CG2 VAL A 66 1.289 -9.144 10.516 1.00 3.48 C ATOM 0 H VAL A 66 3.678 -11.189 7.628 1.00 1.62 H new ATOM 0 HA VAL A 66 1.904 -8.831 8.027 1.00 1.81 H new ATOM 0 HB VAL A 66 1.188 -10.886 9.290 1.00 2.35 H new ATOM 0 HG11 VAL A 66 2.490 -11.458 11.308 1.00 2.96 H new ATOM 0 HG12 VAL A 66 3.391 -11.804 9.813 1.00 2.96 H new ATOM 0 HG13 VAL A 66 3.785 -10.360 10.775 1.00 2.96 H new ATOM 0 HG21 VAL A 66 0.833 -9.625 11.381 1.00 3.48 H new ATOM 0 HG22 VAL A 66 2.034 -8.423 10.853 1.00 3.48 H new ATOM 0 HG23 VAL A 66 0.520 -8.629 9.940 1.00 3.48 H new ATOM 970 N TYR A 67 3.821 -7.494 8.687 1.00 1.56 N ATOM 971 CA TYR A 67 4.970 -6.655 8.979 1.00 1.75 C ATOM 972 C TYR A 67 4.735 -5.822 10.241 1.00 1.58 C ATOM 973 O TYR A 67 5.455 -5.968 11.228 1.00 2.03 O ATOM 974 CB TYR A 67 5.121 -5.714 7.783 1.00 2.19 C ATOM 975 CG TYR A 67 6.119 -6.201 6.730 1.00 2.48 C ATOM 976 CD1 TYR A 67 5.834 -7.320 5.974 1.00 2.47 C ATOM 977 CD2 TYR A 67 7.303 -5.521 6.536 1.00 3.59 C ATOM 978 CE1 TYR A 67 6.773 -7.779 4.984 1.00 2.89 C ATOM 979 CE2 TYR A 67 8.243 -5.978 5.545 1.00 4.00 C ATOM 980 CZ TYR A 67 7.931 -7.086 4.818 1.00 3.36 C ATOM 981 OH TYR A 67 8.818 -7.518 3.882 1.00 3.89 O ATOM 0 H TYR A 67 2.972 -6.984 8.442 1.00 1.56 H new ATOM 0 HA TYR A 67 5.858 -7.266 9.145 1.00 1.75 H new ATOM 0 HB2 TYR A 67 4.147 -5.582 7.312 1.00 2.19 H new ATOM 0 HB3 TYR A 67 5.436 -4.734 8.142 1.00 2.19 H new ATOM 0 HD1 TYR A 67 4.906 -7.852 6.125 1.00 2.47 H new ATOM 0 HD2 TYR A 67 7.526 -4.645 7.128 1.00 3.59 H new ATOM 0 HE1 TYR A 67 6.562 -8.654 4.387 1.00 2.89 H new ATOM 0 HE2 TYR A 67 9.173 -5.454 5.382 1.00 4.00 H new ATOM 0 HH TYR A 67 9.599 -6.926 3.873 1.00 3.89 H new ATOM 991 N LEU A 68 3.725 -4.968 10.168 1.00 1.40 N ATOM 992 CA LEU A 68 3.387 -4.111 11.292 1.00 1.47 C ATOM 993 C LEU A 68 3.494 -4.914 12.590 1.00 2.02 C ATOM 994 O LEU A 68 3.449 -6.144 12.568 1.00 2.78 O ATOM 995 CB LEU A 68 2.016 -3.466 11.080 1.00 1.57 C ATOM 996 CG LEU A 68 1.969 -2.302 10.086 1.00 1.74 C ATOM 997 CD1 LEU A 68 0.555 -1.728 9.981 1.00 3.04 C ATOM 998 CD2 LEU A 68 2.998 -1.230 10.450 1.00 1.72 C ATOM 0 H LEU A 68 3.130 -4.851 9.348 1.00 1.40 H new ATOM 0 HA LEU A 68 4.094 -3.285 11.368 1.00 1.47 H new ATOM 0 HB2 LEU A 68 1.323 -4.236 10.741 1.00 1.57 H new ATOM 0 HB3 LEU A 68 1.651 -3.110 12.043 1.00 1.57 H new ATOM 0 HG LEU A 68 2.235 -2.683 9.100 1.00 1.74 H new ATOM 0 HD11 LEU A 68 0.549 -0.903 9.269 1.00 3.04 H new ATOM 0 HD12 LEU A 68 -0.129 -2.506 9.641 1.00 3.04 H new ATOM 0 HD13 LEU A 68 0.236 -1.366 10.958 1.00 3.04 H new ATOM 0 HD21 LEU A 68 2.944 -0.414 9.729 1.00 1.72 H new ATOM 0 HD22 LEU A 68 2.786 -0.846 11.448 1.00 1.72 H new ATOM 0 HD23 LEU A 68 3.998 -1.664 10.433 1.00 1.72 H new ATOM 1010 N GLY A 69 3.633 -4.187 13.688 1.00 2.67 N ATOM 1011 CA GLY A 69 3.747 -4.816 14.993 1.00 3.39 C ATOM 1012 C GLY A 69 4.832 -5.896 14.989 1.00 3.14 C ATOM 1013 O GLY A 69 4.572 -7.043 15.348 1.00 3.65 O ATOM 0 H GLY A 69 3.669 -3.168 13.701 1.00 2.67 H new ATOM 0 HA2 GLY A 69 3.982 -4.062 15.745 1.00 3.39 H new ATOM 0 HA3 GLY A 69 2.790 -5.258 15.273 1.00 3.39 H new ATOM 1017 N ALA A 70 6.024 -5.489 14.579 1.00 2.83 N ATOM 1018 CA ALA A 70 7.149 -6.407 14.523 1.00 3.05 C ATOM 1019 C ALA A 70 8.414 -5.634 14.144 1.00 3.43 C ATOM 1020 O ALA A 70 9.486 -5.882 14.694 1.00 3.91 O ATOM 1021 CB ALA A 70 6.839 -7.536 13.538 1.00 3.05 C ATOM 0 H ALA A 70 6.235 -4.536 14.282 1.00 2.83 H new ATOM 0 HA ALA A 70 7.321 -6.863 15.498 1.00 3.05 H new ATOM 0 HB1 ALA A 70 7.683 -8.224 13.496 1.00 3.05 H new ATOM 0 HB2 ALA A 70 5.949 -8.072 13.868 1.00 3.05 H new ATOM 0 HB3 ALA A 70 6.664 -7.117 12.547 1.00 3.05 H new ATOM 1027 N GLU A 71 8.248 -4.713 13.206 1.00 3.59 N ATOM 1028 CA GLU A 71 9.363 -3.902 12.747 1.00 4.45 C ATOM 1029 C GLU A 71 10.157 -3.367 13.941 1.00 4.63 C ATOM 1030 O GLU A 71 11.210 -3.903 14.280 1.00 4.60 O ATOM 1031 CB GLU A 71 8.877 -2.758 11.854 1.00 5.23 C ATOM 1032 CG GLU A 71 8.467 -3.276 10.474 1.00 5.59 C ATOM 1033 CD GLU A 71 9.696 -3.604 9.623 1.00 5.73 C ATOM 1034 OE1 GLU A 71 10.710 -2.894 9.795 1.00 6.47 O ATOM 1035 OE2 GLU A 71 9.592 -4.557 8.822 1.00 5.88 O ATOM 0 H GLU A 71 7.358 -4.510 12.751 1.00 3.59 H new ATOM 0 HA GLU A 71 10.023 -4.531 12.149 1.00 4.45 H new ATOM 0 HB2 GLU A 71 8.030 -2.259 12.325 1.00 5.23 H new ATOM 0 HB3 GLU A 71 9.667 -2.014 11.747 1.00 5.23 H new ATOM 0 HG2 GLU A 71 7.849 -4.167 10.585 1.00 5.59 H new ATOM 0 HG3 GLU A 71 7.859 -2.527 9.967 1.00 5.59 H new ATOM 1042 N THR A 72 9.620 -2.317 14.544 1.00 5.32 N ATOM 1043 CA THR A 72 10.265 -1.703 15.692 1.00 5.85 C ATOM 1044 C THR A 72 9.553 -2.108 16.984 1.00 6.41 C ATOM 1045 O THR A 72 9.556 -1.359 17.961 1.00 7.30 O ATOM 1046 CB THR A 72 10.298 -0.190 15.465 1.00 6.89 C ATOM 1047 OG1 THR A 72 11.084 0.307 16.545 1.00 7.65 O ATOM 1048 CG2 THR A 72 8.929 0.462 15.669 1.00 7.60 C ATOM 0 H THR A 72 8.746 -1.876 14.259 1.00 5.32 H new ATOM 0 HA THR A 72 11.292 -2.052 15.801 1.00 5.85 H new ATOM 0 HB THR A 72 10.652 0.018 14.455 1.00 6.89 H new ATOM 0 HG1 THR A 72 10.736 -0.044 17.391 1.00 7.65 H new ATOM 0 HG21 THR A 72 9.008 1.535 15.496 1.00 7.60 H new ATOM 0 HG22 THR A 72 8.213 0.033 14.968 1.00 7.60 H new ATOM 0 HG23 THR A 72 8.589 0.283 16.689 1.00 7.60 H new ATOM 1056 N THR A 73 8.959 -3.292 16.949 1.00 6.34 N ATOM 1057 CA THR A 73 8.244 -3.805 18.104 1.00 7.54 C ATOM 1058 C THR A 73 9.228 -4.353 19.140 1.00 7.99 C ATOM 1059 O THR A 73 9.278 -3.867 20.269 1.00 9.25 O ATOM 1060 CB THR A 73 7.237 -4.848 17.612 1.00 7.59 C ATOM 1061 OG1 THR A 73 6.428 -4.136 16.679 1.00 8.79 O ATOM 1062 CG2 THR A 73 6.257 -5.276 18.706 1.00 8.69 C ATOM 0 H THR A 73 8.959 -3.911 16.138 1.00 6.34 H new ATOM 0 HA THR A 73 7.693 -3.013 18.612 1.00 7.54 H new ATOM 0 HB THR A 73 7.771 -5.723 17.241 1.00 7.59 H new ATOM 0 HG1 THR A 73 5.758 -3.608 17.162 1.00 8.79 H new ATOM 0 HG21 THR A 73 5.565 -6.016 18.305 1.00 8.69 H new ATOM 0 HG22 THR A 73 6.809 -5.710 19.540 1.00 8.69 H new ATOM 0 HG23 THR A 73 5.698 -4.407 19.054 1.00 8.69 H new ATOM 1070 N ARG A 74 9.985 -5.354 18.720 1.00 7.25 N ATOM 1071 CA ARG A 74 10.964 -5.972 19.597 1.00 8.10 C ATOM 1072 C ARG A 74 12.208 -5.090 19.708 1.00 8.27 C ATOM 1073 O ARG A 74 13.015 -5.260 20.621 1.00 9.29 O ATOM 1074 CB ARG A 74 11.371 -7.355 19.081 1.00 8.00 C ATOM 1075 CG ARG A 74 12.143 -7.242 17.765 1.00 7.24 C ATOM 1076 CD ARG A 74 11.632 -8.259 16.742 1.00 6.63 C ATOM 1077 NE ARG A 74 12.712 -8.608 15.792 1.00 7.40 N ATOM 1078 CZ ARG A 74 13.093 -7.830 14.770 1.00 8.14 C ATOM 1079 NH1 ARG A 74 12.485 -6.655 14.558 1.00 8.08 N ATOM 1080 NH2 ARG A 74 14.083 -8.228 13.958 1.00 9.36 N ATOM 0 H ARG A 74 9.940 -5.753 17.783 1.00 7.25 H new ATOM 0 HA ARG A 74 10.505 -6.084 20.579 1.00 8.10 H new ATOM 0 HB2 ARG A 74 11.987 -7.859 19.826 1.00 8.00 H new ATOM 0 HB3 ARG A 74 10.482 -7.969 18.934 1.00 8.00 H new ATOM 0 HG2 ARG A 74 12.040 -6.234 17.364 1.00 7.24 H new ATOM 0 HG3 ARG A 74 13.205 -7.406 17.947 1.00 7.24 H new ATOM 0 HD2 ARG A 74 11.282 -9.156 17.253 1.00 6.63 H new ATOM 0 HD3 ARG A 74 10.780 -7.847 16.201 1.00 6.63 H new ATOM 0 HE ARG A 74 13.196 -9.496 15.924 1.00 7.40 H new ATOM 0 HH11 ARG A 74 11.731 -6.352 15.175 1.00 8.08 H new ATOM 0 HH12 ARG A 74 12.776 -6.063 13.780 1.00 8.08 H new ATOM 0 HH21 ARG A 74 14.546 -9.123 14.119 1.00 9.36 H new ATOM 0 HH22 ARG A 74 14.373 -7.636 13.180 1.00 9.36 H new ATOM 1094 N SER A 75 12.325 -4.165 18.766 1.00 7.58 N ATOM 1095 CA SER A 75 13.458 -3.256 18.747 1.00 8.21 C ATOM 1096 C SER A 75 13.019 -1.863 19.204 1.00 8.70 C ATOM 1097 O SER A 75 13.669 -0.868 18.888 1.00 9.36 O ATOM 1098 CB SER A 75 14.084 -3.185 17.353 1.00 8.07 C ATOM 1099 OG SER A 75 15.507 -3.197 17.405 1.00 9.04 O ATOM 0 H SER A 75 11.654 -4.026 18.011 1.00 7.58 H new ATOM 0 HA SER A 75 14.213 -3.636 19.435 1.00 8.21 H new ATOM 0 HB2 SER A 75 13.736 -4.028 16.756 1.00 8.07 H new ATOM 0 HB3 SER A 75 13.747 -2.278 16.850 1.00 8.07 H new ATOM 0 HG SER A 75 15.868 -3.152 16.495 1.00 9.04 H new ATOM 1105 N MET A 76 11.917 -1.837 19.939 1.00 8.76 N ATOM 1106 CA MET A 76 11.383 -0.582 20.442 1.00 9.62 C ATOM 1107 C MET A 76 12.468 0.230 21.151 1.00 10.60 C ATOM 1108 O MET A 76 12.678 1.400 20.834 1.00 11.11 O ATOM 1109 CB MET A 76 10.240 -0.869 21.419 1.00 10.47 C ATOM 1110 CG MET A 76 8.917 -0.307 20.894 1.00 10.99 C ATOM 1111 SD MET A 76 8.730 1.392 21.407 1.00 12.61 S ATOM 1112 CE MET A 76 6.962 1.573 21.242 1.00 13.86 C ATOM 0 H MET A 76 11.379 -2.664 20.198 1.00 8.76 H new ATOM 0 HA MET A 76 11.014 -0.001 19.597 1.00 9.62 H new ATOM 0 HB2 MET A 76 10.148 -1.944 21.571 1.00 10.47 H new ATOM 0 HB3 MET A 76 10.467 -0.428 22.390 1.00 10.47 H new ATOM 0 HG2 MET A 76 8.891 -0.372 19.806 1.00 10.99 H new ATOM 0 HG3 MET A 76 8.085 -0.903 21.269 1.00 10.99 H new ATOM 0 HE1 MET A 76 6.672 2.585 21.525 1.00 13.86 H new ATOM 0 HE2 MET A 76 6.672 1.388 20.208 1.00 13.86 H new ATOM 0 HE3 MET A 76 6.461 0.856 21.893 1.00 13.86 H new ATOM 1122 N GLY A 77 13.129 -0.421 22.096 1.00 11.15 N ATOM 1123 CA GLY A 77 14.187 0.227 22.852 1.00 12.32 C ATOM 1124 C GLY A 77 13.822 0.324 24.334 1.00 13.71 C ATOM 1125 O GLY A 77 14.225 1.265 25.016 1.00 14.92 O ATOM 0 H GLY A 77 12.952 -1.391 22.356 1.00 11.15 H new ATOM 0 HA2 GLY A 77 15.115 -0.333 22.738 1.00 12.32 H new ATOM 0 HA3 GLY A 77 14.366 1.225 22.452 1.00 12.32 H new ATOM 1129 N LEU A 78 13.062 -0.661 24.790 1.00 13.76 N ATOM 1130 CA LEU A 78 12.636 -0.698 26.179 1.00 15.36 C ATOM 1131 C LEU A 78 13.588 -1.594 26.975 1.00 15.80 C ATOM 1132 O LEU A 78 14.062 -1.209 28.042 1.00 17.21 O ATOM 1133 CB LEU A 78 11.168 -1.117 26.279 1.00 15.76 C ATOM 1134 CG LEU A 78 10.227 -0.519 25.232 1.00 15.92 C ATOM 1135 CD1 LEU A 78 8.764 -0.723 25.630 1.00 16.85 C ATOM 1136 CD2 LEU A 78 10.553 0.955 24.980 1.00 16.62 C ATOM 0 H LEU A 78 12.730 -1.440 24.222 1.00 13.76 H new ATOM 0 HA LEU A 78 12.689 0.297 26.621 1.00 15.36 H new ATOM 0 HB2 LEU A 78 11.115 -2.203 26.208 1.00 15.76 H new ATOM 0 HB3 LEU A 78 10.799 -0.844 27.268 1.00 15.76 H new ATOM 0 HG LEU A 78 10.381 -1.048 24.292 1.00 15.92 H new ATOM 0 HD11 LEU A 78 8.116 -0.289 24.869 1.00 16.85 H new ATOM 0 HD12 LEU A 78 8.556 -1.789 25.718 1.00 16.85 H new ATOM 0 HD13 LEU A 78 8.576 -0.236 26.587 1.00 16.85 H new ATOM 0 HD21 LEU A 78 9.869 1.356 24.232 1.00 16.62 H new ATOM 0 HD22 LEU A 78 10.444 1.516 25.908 1.00 16.62 H new ATOM 0 HD23 LEU A 78 11.578 1.045 24.620 1.00 16.62 H new ATOM 1148 N ALA A 79 13.838 -2.773 26.424 1.00 14.76 N ATOM 1149 CA ALA A 79 14.725 -3.726 27.069 1.00 15.34 C ATOM 1150 C ALA A 79 15.476 -4.521 26.000 1.00 14.75 C ATOM 1151 O ALA A 79 16.698 -4.652 26.061 1.00 15.24 O ATOM 1152 CB ALA A 79 13.913 -4.627 28.003 1.00 15.97 C ATOM 0 H ALA A 79 13.442 -3.090 25.539 1.00 14.76 H new ATOM 0 HA ALA A 79 15.467 -3.209 27.678 1.00 15.34 H new ATOM 0 HB1 ALA A 79 14.578 -5.342 28.487 1.00 15.97 H new ATOM 0 HB2 ALA A 79 13.422 -4.017 28.761 1.00 15.97 H new ATOM 0 HB3 ALA A 79 13.160 -5.164 27.426 1.00 15.97 H new ATOM 1158 N TYR A 80 14.714 -5.033 25.044 1.00 13.91 N ATOM 1159 CA TYR A 80 15.294 -5.812 23.963 1.00 13.59 C ATOM 1160 C TYR A 80 16.607 -5.193 23.483 1.00 13.92 C ATOM 1161 O TYR A 80 17.377 -5.836 22.770 1.00 13.86 O ATOM 1162 CB TYR A 80 14.276 -5.769 22.821 1.00 12.71 C ATOM 1163 CG TYR A 80 12.860 -6.179 23.233 1.00 13.58 C ATOM 1164 CD1 TYR A 80 12.524 -7.516 23.308 1.00 14.07 C ATOM 1165 CD2 TYR A 80 11.921 -5.213 23.529 1.00 14.28 C ATOM 1166 CE1 TYR A 80 11.191 -7.902 23.696 1.00 15.28 C ATOM 1167 CE2 TYR A 80 10.588 -5.599 23.917 1.00 15.47 C ATOM 1168 CZ TYR A 80 10.290 -6.924 23.981 1.00 15.90 C ATOM 1169 OH TYR A 80 9.031 -7.289 24.347 1.00 17.29 O ATOM 0 H TYR A 80 13.701 -4.924 24.996 1.00 13.91 H new ATOM 0 HA TYR A 80 15.509 -6.828 24.295 1.00 13.59 H new ATOM 0 HB2 TYR A 80 14.246 -4.759 22.412 1.00 12.71 H new ATOM 0 HB3 TYR A 80 14.615 -6.427 22.021 1.00 12.71 H new ATOM 0 HD1 TYR A 80 13.260 -8.272 23.076 1.00 14.07 H new ATOM 0 HD2 TYR A 80 12.185 -4.167 23.470 1.00 14.28 H new ATOM 0 HE1 TYR A 80 10.914 -8.944 23.759 1.00 15.28 H new ATOM 0 HE2 TYR A 80 9.843 -4.853 24.152 1.00 15.47 H new ATOM 0 HH TYR A 80 8.496 -6.487 24.522 1.00 17.29 H new TER 1179 TYR A 80 HETATM 1180 FE1 SF4 A 81 -6.117 1.001 -1.668 1.00 0.39 FE HETATM 1181 FE2 SF4 A 81 -7.357 2.358 0.252 1.00 0.50 FE HETATM 1182 FE3 SF4 A 81 -4.643 1.507 0.476 1.00 0.46 FE HETATM 1183 FE4 SF4 A 81 -6.633 -0.334 0.761 1.00 0.66 FE HETATM 1184 S1 SF4 A 81 -6.356 1.375 2.151 1.00 0.70 S HETATM 1185 S2 SF4 A 81 -4.780 -0.426 -0.609 1.00 0.68 S HETATM 1186 S3 SF4 A 81 -8.141 0.618 -0.838 1.00 0.47 S HETATM 1187 S4 SF4 A 81 -5.640 3.184 -0.890 1.00 0.42 S HETATM 1188 FE1 SF4 A 82 6.720 2.456 6.486 1.00 0.99 FE HETATM 1189 FE2 SF4 A 82 5.748 4.291 8.170 1.00 1.06 FE HETATM 1190 FE3 SF4 A 82 4.290 2.170 7.498 1.00 1.13 FE HETATM 1191 FE4 SF4 A 82 4.858 4.159 5.540 1.00 1.12 FE HETATM 1192 S1 SF4 A 82 3.649 4.408 7.386 1.00 1.15 S HETATM 1193 S2 SF4 A 82 4.867 1.772 5.391 1.00 1.25 S HETATM 1194 S3 SF4 A 82 6.934 4.635 6.116 1.00 1.05 S HETATM 1195 S4 SF4 A 82 6.405 2.222 8.641 1.00 0.95 S