USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 251 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 3 MET CE :methyl -115:sc= -5.54! (180deg=0) USER MOD Set 1.2: A 7 THR OG1 : rot -131:sc= -1.2 USER MOD Set 1.3: A 12 MET CE :methyl -116:sc= -4.57! (180deg=-1.62!) USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 32 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0679 (180deg=-0.193) USER MOD Single : A 8 THR OG1 : rot -16:sc= 0.404 USER MOD Single : A 10 HIS :FLIP no HD1:sc= -0.364 F(o=-0.95!,f=-0.36) USER MOD Single : A 11 GLN : amide:sc= -0.129 K(o=-0.13,f=-2.5!) USER MOD Single : A 15 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0191) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.490 -0.049 8.648 1.00 0.00 N ATOM 2 CA MET A 1 -4.494 0.525 7.699 1.00 0.00 C ATOM 3 C MET A 1 -3.180 -0.251 7.810 1.00 0.00 C ATOM 4 O MET A 1 -2.903 -0.881 8.811 1.00 0.00 O ATOM 5 CB MET A 1 -4.251 1.997 8.040 1.00 0.00 C ATOM 6 CG MET A 1 -3.734 2.113 9.475 1.00 0.00 C ATOM 7 SD MET A 1 -2.953 3.729 9.703 1.00 0.00 S ATOM 8 CE MET A 1 -4.225 4.445 10.773 1.00 0.00 C ATOM 0 H1 MET A 1 -5.961 0.721 9.164 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.199 -0.595 8.119 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.006 -0.674 9.324 1.00 0.00 H new ATOM 0 HA MET A 1 -4.876 0.449 6.681 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.528 2.427 7.347 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.175 2.564 7.929 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.556 1.991 10.180 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.017 1.318 9.680 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.943 5.463 11.042 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.178 4.460 10.245 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.321 3.844 11.677 1.00 0.00 H new ATOM 20 N CYS A 2 -2.369 -0.211 6.789 1.00 0.00 N ATOM 21 CA CYS A 2 -1.074 -0.949 6.836 1.00 0.00 C ATOM 22 C CYS A 2 0.081 0.051 6.918 1.00 0.00 C ATOM 23 O CYS A 2 -0.125 1.248 6.966 1.00 0.00 O ATOM 24 CB CYS A 2 -0.925 -1.799 5.573 1.00 0.00 C ATOM 25 SG CYS A 2 0.077 -3.262 5.941 1.00 0.00 S ATOM 0 H CYS A 2 -2.546 0.300 5.924 1.00 0.00 H new ATOM 0 HA CYS A 2 -1.056 -1.596 7.713 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -1.907 -2.101 5.207 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -0.456 -1.214 4.782 1.00 0.00 H new ATOM 30 N MET A 3 1.295 -0.428 6.937 1.00 0.00 N ATOM 31 CA MET A 3 2.458 0.497 7.016 1.00 0.00 C ATOM 32 C MET A 3 2.249 1.661 6.040 1.00 0.00 C ATOM 33 O MET A 3 1.533 1.534 5.066 1.00 0.00 O ATOM 34 CB MET A 3 3.745 -0.268 6.666 1.00 0.00 C ATOM 35 CG MET A 3 3.928 -0.328 5.146 1.00 0.00 C ATOM 36 SD MET A 3 5.416 -1.279 4.753 1.00 0.00 S ATOM 37 CE MET A 3 6.148 -0.083 3.611 1.00 0.00 C ATOM 0 H MET A 3 1.530 -1.420 6.901 1.00 0.00 H new ATOM 0 HA MET A 3 2.547 0.894 8.027 1.00 0.00 H new ATOM 0 HB2 MET A 3 4.604 0.222 7.124 1.00 0.00 H new ATOM 0 HB3 MET A 3 3.699 -1.278 7.074 1.00 0.00 H new ATOM 0 HG2 MET A 3 3.056 -0.789 4.682 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.010 0.680 4.739 1.00 0.00 H new ATOM 0 HE1 MET A 3 6.187 -0.513 2.610 1.00 0.00 H new ATOM 0 HE2 MET A 3 5.541 0.822 3.594 1.00 0.00 H new ATOM 0 HE3 MET A 3 7.158 0.163 3.940 1.00 0.00 H new ATOM 47 N PRO A 4 2.887 2.758 6.339 1.00 0.00 N ATOM 48 CA PRO A 4 2.747 3.936 5.458 1.00 0.00 C ATOM 49 C PRO A 4 3.174 3.583 4.031 1.00 0.00 C ATOM 50 O PRO A 4 3.263 2.427 3.667 1.00 0.00 O ATOM 51 CB PRO A 4 3.692 4.976 6.062 1.00 0.00 C ATOM 52 CG PRO A 4 4.732 4.190 6.884 1.00 0.00 C ATOM 53 CD PRO A 4 4.123 2.804 7.153 1.00 0.00 C ATOM 0 HA PRO A 4 1.720 4.296 5.397 1.00 0.00 H new ATOM 0 HB2 PRO A 4 4.176 5.562 5.281 1.00 0.00 H new ATOM 0 HB3 PRO A 4 3.146 5.677 6.694 1.00 0.00 H new ATOM 0 HG2 PRO A 4 5.671 4.101 6.338 1.00 0.00 H new ATOM 0 HG3 PRO A 4 4.955 4.703 7.819 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.812 2.009 6.868 1.00 0.00 H new ATOM 0 HD3 PRO A 4 3.902 2.670 8.212 1.00 0.00 H new ATOM 61 N CYS A 5 3.442 4.571 3.221 1.00 0.00 N ATOM 62 CA CYS A 5 3.864 4.296 1.826 1.00 0.00 C ATOM 63 C CYS A 5 5.068 5.171 1.472 1.00 0.00 C ATOM 64 O CYS A 5 4.967 6.097 0.692 1.00 0.00 O ATOM 65 CB CYS A 5 2.709 4.600 0.871 1.00 0.00 C ATOM 66 SG CYS A 5 1.877 3.055 0.427 1.00 0.00 S ATOM 0 H CYS A 5 3.385 5.559 3.470 1.00 0.00 H new ATOM 0 HA CYS A 5 4.142 3.246 1.733 1.00 0.00 H new ATOM 0 HB2 CYS A 5 2.003 5.284 1.342 1.00 0.00 H new ATOM 0 HB3 CYS A 5 3.084 5.095 -0.025 1.00 0.00 H new ATOM 71 N PHE A 6 6.207 4.881 2.038 1.00 0.00 N ATOM 72 CA PHE A 6 7.419 5.692 1.734 1.00 0.00 C ATOM 73 C PHE A 6 8.662 4.814 1.879 1.00 0.00 C ATOM 74 O PHE A 6 9.675 5.235 2.400 1.00 0.00 O ATOM 75 CB PHE A 6 7.508 6.866 2.711 1.00 0.00 C ATOM 76 CG PHE A 6 6.642 7.999 2.216 1.00 0.00 C ATOM 77 CD1 PHE A 6 5.267 7.999 2.486 1.00 0.00 C ATOM 78 CD2 PHE A 6 7.212 9.049 1.485 1.00 0.00 C ATOM 79 CE1 PHE A 6 4.464 9.048 2.025 1.00 0.00 C ATOM 80 CE2 PHE A 6 6.408 10.098 1.025 1.00 0.00 C ATOM 81 CZ PHE A 6 5.034 10.098 1.295 1.00 0.00 C ATOM 0 H PHE A 6 6.351 4.117 2.698 1.00 0.00 H new ATOM 0 HA PHE A 6 7.356 6.074 0.715 1.00 0.00 H new ATOM 0 HB2 PHE A 6 7.183 6.553 3.703 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.542 7.198 2.804 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.827 7.190 3.050 1.00 0.00 H new ATOM 0 HD2 PHE A 6 8.272 9.049 1.276 1.00 0.00 H new ATOM 0 HE1 PHE A 6 3.404 9.048 2.232 1.00 0.00 H new ATOM 0 HE2 PHE A 6 6.847 10.908 0.462 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.414 10.908 0.940 1.00 0.00 H new ATOM 91 N THR A 7 8.591 3.593 1.424 1.00 0.00 N ATOM 92 CA THR A 7 9.767 2.687 1.538 1.00 0.00 C ATOM 93 C THR A 7 10.080 2.081 0.169 1.00 0.00 C ATOM 94 O THR A 7 9.200 1.861 -0.639 1.00 0.00 O ATOM 95 CB THR A 7 9.450 1.567 2.533 1.00 0.00 C ATOM 96 OG1 THR A 7 8.313 1.931 3.304 1.00 0.00 O ATOM 97 CG2 THR A 7 10.648 1.349 3.459 1.00 0.00 C ATOM 0 H THR A 7 7.769 3.184 0.978 1.00 0.00 H new ATOM 0 HA THR A 7 10.630 3.253 1.889 1.00 0.00 H new ATOM 0 HB THR A 7 9.243 0.645 1.990 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.504 1.790 4.255 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.421 0.552 4.166 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.520 1.071 2.867 1.00 0.00 H new ATOM 0 HG23 THR A 7 10.858 2.269 4.005 1.00 0.00 H new ATOM 105 N THR A 8 11.327 1.808 -0.096 1.00 0.00 N ATOM 106 CA THR A 8 11.698 1.215 -1.411 1.00 0.00 C ATOM 107 C THR A 8 11.068 2.030 -2.541 1.00 0.00 C ATOM 108 O THR A 8 10.678 3.167 -2.361 1.00 0.00 O ATOM 109 CB THR A 8 11.187 -0.225 -1.482 1.00 0.00 C ATOM 110 OG1 THR A 8 9.789 -0.216 -1.736 1.00 0.00 O ATOM 111 CG2 THR A 8 11.463 -0.931 -0.154 1.00 0.00 C ATOM 0 H THR A 8 12.106 1.970 0.542 1.00 0.00 H new ATOM 0 HA THR A 8 12.783 1.226 -1.517 1.00 0.00 H new ATOM 0 HB THR A 8 11.699 -0.755 -2.285 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.431 0.679 -1.561 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.099 -1.957 -0.205 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.536 -0.936 0.039 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.952 -0.404 0.651 1.00 0.00 H new ATOM 119 N ASP A 9 10.966 1.454 -3.707 1.00 0.00 N ATOM 120 CA ASP A 9 10.364 2.187 -4.855 1.00 0.00 C ATOM 121 C ASP A 9 9.844 1.179 -5.879 1.00 0.00 C ATOM 122 O ASP A 9 8.756 1.312 -6.403 1.00 0.00 O ATOM 123 CB ASP A 9 11.426 3.074 -5.508 1.00 0.00 C ATOM 124 CG ASP A 9 11.245 4.519 -5.040 1.00 0.00 C ATOM 125 OD1 ASP A 9 11.781 4.855 -3.997 1.00 0.00 O ATOM 126 OD2 ASP A 9 10.573 5.266 -5.733 1.00 0.00 O ATOM 0 H ASP A 9 11.275 0.504 -3.914 1.00 0.00 H new ATOM 0 HA ASP A 9 9.541 2.808 -4.501 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.423 2.718 -5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.343 3.019 -6.593 1.00 0.00 H new ATOM 131 N HIS A 10 10.617 0.172 -6.167 1.00 0.00 N ATOM 132 CA HIS A 10 10.176 -0.850 -7.158 1.00 0.00 C ATOM 133 C HIS A 10 9.398 -1.956 -6.441 1.00 0.00 C ATOM 134 O HIS A 10 8.997 -2.933 -7.041 1.00 0.00 O ATOM 135 CB HIS A 10 11.403 -1.451 -7.847 1.00 0.00 C ATOM 136 CG HIS A 10 12.340 -0.344 -8.245 1.00 0.00 C ATOM 137 ND1 HIS A 10 12.145 1.005 -8.413 1.00 0.00 N flip ATOM 138 CD2 HIS A 10 13.678 -0.571 -8.526 1.00 0.00 C flip ATOM 139 CE1 HIS A 10 13.341 1.607 -8.793 1.00 0.00 C flip ATOM 140 NE2 HIS A 10 14.232 0.613 -8.846 1.00 0.00 N flip ATOM 0 H HIS A 10 11.538 0.011 -5.759 1.00 0.00 H new ATOM 0 HA HIS A 10 9.533 -0.381 -7.903 1.00 0.00 H new ATOM 0 HB2 HIS A 10 11.907 -2.146 -7.176 1.00 0.00 H new ATOM 0 HB3 HIS A 10 11.099 -2.020 -8.726 1.00 0.00 H new ATOM 0 HD2 HIS A 10 14.184 -1.525 -8.494 1.00 0.00 H new ATOM 0 HE1 HIS A 10 13.512 2.653 -9.000 1.00 0.00 H new ATOM 0 HE2 HIS A 10 15.213 0.736 -9.098 1.00 0.00 H new ATOM 148 N GLN A 11 9.179 -1.810 -5.162 1.00 0.00 N ATOM 149 CA GLN A 11 8.425 -2.853 -4.412 1.00 0.00 C ATOM 150 C GLN A 11 7.770 -2.226 -3.177 1.00 0.00 C ATOM 151 O GLN A 11 8.007 -2.639 -2.059 1.00 0.00 O ATOM 152 CB GLN A 11 9.385 -3.963 -3.975 1.00 0.00 C ATOM 153 CG GLN A 11 9.780 -4.807 -5.190 1.00 0.00 C ATOM 154 CD GLN A 11 10.295 -6.169 -4.721 1.00 0.00 C ATOM 155 OE1 GLN A 11 10.261 -6.472 -3.544 1.00 0.00 O ATOM 156 NE2 GLN A 11 10.775 -7.009 -5.597 1.00 0.00 N ATOM 0 H GLN A 11 9.490 -1.014 -4.605 1.00 0.00 H new ATOM 0 HA GLN A 11 7.653 -3.274 -5.056 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.274 -3.530 -3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.911 -4.592 -3.221 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.922 -4.938 -5.849 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.550 -4.295 -5.767 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.804 -6.755 -6.584 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.121 -7.919 -5.294 1.00 0.00 H new ATOM 165 N MET A 12 6.944 -1.233 -3.372 1.00 0.00 N ATOM 166 CA MET A 12 6.270 -0.581 -2.212 1.00 0.00 C ATOM 167 C MET A 12 4.778 -0.907 -2.250 1.00 0.00 C ATOM 168 O MET A 12 4.212 -1.400 -1.294 1.00 0.00 O ATOM 169 CB MET A 12 6.451 0.935 -2.301 1.00 0.00 C ATOM 170 CG MET A 12 6.481 1.531 -0.892 1.00 0.00 C ATOM 171 SD MET A 12 4.790 1.878 -0.346 1.00 0.00 S ATOM 172 CE MET A 12 4.698 0.602 0.934 1.00 0.00 C ATOM 0 H MET A 12 6.707 -0.845 -4.285 1.00 0.00 H new ATOM 0 HA MET A 12 6.708 -0.948 -1.284 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.376 1.171 -2.826 1.00 0.00 H new ATOM 0 HB3 MET A 12 5.637 1.376 -2.876 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.962 0.837 -0.202 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.072 2.447 -0.886 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.934 -0.128 0.666 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.663 0.103 1.020 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.441 1.062 1.888 1.00 0.00 H new ATOM 182 N ALA A 13 4.139 -0.634 -3.353 1.00 0.00 N ATOM 183 CA ALA A 13 2.681 -0.923 -3.465 1.00 0.00 C ATOM 184 C ALA A 13 2.472 -2.410 -3.767 1.00 0.00 C ATOM 185 O ALA A 13 1.370 -2.849 -4.031 1.00 0.00 O ATOM 186 CB ALA A 13 2.081 -0.084 -4.596 1.00 0.00 C ATOM 0 H ALA A 13 4.564 -0.222 -4.184 1.00 0.00 H new ATOM 0 HA ALA A 13 2.190 -0.673 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.015 -0.294 -4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.226 0.975 -4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.574 -0.334 -5.535 1.00 0.00 H new ATOM 192 N ARG A 14 3.518 -3.188 -3.732 1.00 0.00 N ATOM 193 CA ARG A 14 3.373 -4.643 -4.017 1.00 0.00 C ATOM 194 C ARG A 14 2.846 -5.360 -2.771 1.00 0.00 C ATOM 195 O ARG A 14 2.440 -6.503 -2.829 1.00 0.00 O ATOM 196 CB ARG A 14 4.735 -5.224 -4.405 1.00 0.00 C ATOM 197 CG ARG A 14 4.761 -5.507 -5.909 1.00 0.00 C ATOM 198 CD ARG A 14 4.840 -4.187 -6.679 1.00 0.00 C ATOM 199 NE ARG A 14 6.257 -3.912 -7.049 1.00 0.00 N ATOM 200 CZ ARG A 14 6.527 -3.157 -8.079 1.00 0.00 C ATOM 201 NH1 ARG A 14 6.415 -3.636 -9.287 1.00 0.00 N ATOM 202 NH2 ARG A 14 6.908 -1.921 -7.901 1.00 0.00 N ATOM 0 H ARG A 14 4.466 -2.879 -3.518 1.00 0.00 H new ATOM 0 HA ARG A 14 2.670 -4.784 -4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.529 -4.524 -4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 14 4.922 -6.142 -3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.617 -6.135 -6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.866 -6.057 -6.201 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.222 -4.239 -7.576 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.448 -3.374 -6.069 1.00 0.00 H new ATOM 0 HE ARG A 14 7.016 -4.313 -6.498 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.116 -4.601 -9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.626 -3.045 -10.091 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.995 -1.545 -6.957 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.119 -1.331 -8.706 1.00 0.00 H new ATOM 216 N LYS A 15 2.851 -4.702 -1.643 1.00 0.00 N ATOM 217 CA LYS A 15 2.352 -5.359 -0.399 1.00 0.00 C ATOM 218 C LYS A 15 1.326 -4.461 0.299 1.00 0.00 C ATOM 219 O LYS A 15 0.625 -4.893 1.192 1.00 0.00 O ATOM 220 CB LYS A 15 3.516 -5.636 0.564 1.00 0.00 C ATOM 221 CG LYS A 15 4.775 -4.884 0.118 1.00 0.00 C ATOM 222 CD LYS A 15 5.667 -4.622 1.332 1.00 0.00 C ATOM 223 CE LYS A 15 6.025 -5.949 2.004 1.00 0.00 C ATOM 224 NZ LYS A 15 5.401 -6.005 3.357 1.00 0.00 N ATOM 0 H LYS A 15 3.177 -3.742 -1.528 1.00 0.00 H new ATOM 0 HA LYS A 15 1.881 -6.302 -0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.241 -5.330 1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.719 -6.706 0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.317 -5.468 -0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.500 -3.941 -0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.574 -4.103 1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.153 -3.972 2.040 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.675 -6.783 1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.107 -6.047 2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.752 -6.841 3.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.648 -5.146 3.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.367 -6.067 3.260 1.00 0.00 H new ATOM 238 N CYS A 16 1.225 -3.221 -0.094 1.00 0.00 N ATOM 239 CA CYS A 16 0.235 -2.317 0.558 1.00 0.00 C ATOM 240 C CYS A 16 -1.177 -2.762 0.174 1.00 0.00 C ATOM 241 O CYS A 16 -1.962 -3.161 1.010 1.00 0.00 O ATOM 242 CB CYS A 16 0.465 -0.879 0.087 1.00 0.00 C ATOM 243 SG CYS A 16 0.776 0.183 1.520 1.00 0.00 S ATOM 0 H CYS A 16 1.782 -2.796 -0.835 1.00 0.00 H new ATOM 0 HA CYS A 16 0.353 -2.363 1.641 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.312 -0.840 -0.598 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.406 -0.521 -0.462 1.00 0.00 H new ATOM 248 N ASP A 17 -1.502 -2.700 -1.087 1.00 0.00 N ATOM 249 CA ASP A 17 -2.860 -3.123 -1.530 1.00 0.00 C ATOM 250 C ASP A 17 -3.180 -4.497 -0.942 1.00 0.00 C ATOM 251 O ASP A 17 -4.254 -4.727 -0.426 1.00 0.00 O ATOM 252 CB ASP A 17 -2.882 -3.222 -3.056 1.00 0.00 C ATOM 253 CG ASP A 17 -4.326 -3.155 -3.556 1.00 0.00 C ATOM 254 OD1 ASP A 17 -5.180 -3.758 -2.927 1.00 0.00 O ATOM 255 OD2 ASP A 17 -4.554 -2.501 -4.560 1.00 0.00 O ATOM 0 H ASP A 17 -0.885 -2.374 -1.831 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.597 -2.395 -1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.298 -2.411 -3.491 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.419 -4.155 -3.376 1.00 0.00 H new ATOM 260 N ASP A 18 -2.256 -5.415 -1.030 1.00 0.00 N ATOM 261 CA ASP A 18 -2.505 -6.783 -0.490 1.00 0.00 C ATOM 262 C ASP A 18 -2.771 -6.712 1.016 1.00 0.00 C ATOM 263 O ASP A 18 -3.593 -7.435 1.543 1.00 0.00 O ATOM 264 CB ASP A 18 -1.282 -7.663 -0.750 1.00 0.00 C ATOM 265 CG ASP A 18 -1.260 -8.079 -2.222 1.00 0.00 C ATOM 266 OD1 ASP A 18 -2.321 -8.110 -2.823 1.00 0.00 O ATOM 267 OD2 ASP A 18 -0.183 -8.358 -2.723 1.00 0.00 O ATOM 0 H ASP A 18 -1.338 -5.277 -1.453 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.377 -7.209 -0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.370 -7.121 -0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.313 -8.546 -0.111 1.00 0.00 H new ATOM 272 N CYS A 19 -2.085 -5.850 1.715 1.00 0.00 N ATOM 273 CA CYS A 19 -2.307 -5.746 3.185 1.00 0.00 C ATOM 274 C CYS A 19 -3.801 -5.589 3.458 1.00 0.00 C ATOM 275 O CYS A 19 -4.343 -6.177 4.373 1.00 0.00 O ATOM 276 CB CYS A 19 -1.564 -4.525 3.732 1.00 0.00 C ATOM 277 SG CYS A 19 -1.117 -4.819 5.462 1.00 0.00 S ATOM 0 H CYS A 19 -1.383 -5.216 1.334 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.934 -6.647 3.673 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.668 -4.335 3.141 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.192 -3.638 3.653 1.00 0.00 H new ATOM 282 N CYS A 20 -4.467 -4.792 2.673 1.00 0.00 N ATOM 283 CA CYS A 20 -5.926 -4.584 2.885 1.00 0.00 C ATOM 284 C CYS A 20 -6.717 -5.746 2.279 1.00 0.00 C ATOM 285 O CYS A 20 -7.740 -6.146 2.797 1.00 0.00 O ATOM 286 CB CYS A 20 -6.350 -3.274 2.222 1.00 0.00 C ATOM 287 SG CYS A 20 -6.198 -1.924 3.418 1.00 0.00 S ATOM 0 H CYS A 20 -4.064 -4.274 1.892 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.130 -4.538 3.955 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -5.726 -3.075 1.350 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.378 -3.348 1.868 1.00 0.00 H new ATOM 292 N GLY A 21 -6.257 -6.292 1.188 1.00 0.00 N ATOM 293 CA GLY A 21 -6.992 -7.426 0.559 1.00 0.00 C ATOM 294 C GLY A 21 -6.379 -7.742 -0.806 1.00 0.00 C ATOM 295 O GLY A 21 -6.027 -8.869 -1.092 1.00 0.00 O ATOM 0 H GLY A 21 -5.406 -6.003 0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.944 -8.305 1.202 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.046 -7.171 0.445 1.00 0.00 H new ATOM 299 N GLY A 22 -6.245 -6.757 -1.651 1.00 0.00 N ATOM 300 CA GLY A 22 -5.656 -7.000 -2.990 1.00 0.00 C ATOM 301 C GLY A 22 -6.707 -6.744 -4.070 1.00 0.00 C ATOM 302 O GLY A 22 -7.875 -6.566 -3.785 1.00 0.00 O ATOM 0 H GLY A 22 -6.520 -5.792 -1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.797 -6.347 -3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.294 -8.026 -3.058 1.00 0.00 H new ATOM 306 N LYS A 23 -6.301 -6.724 -5.310 1.00 0.00 N ATOM 307 CA LYS A 23 -7.275 -6.480 -6.410 1.00 0.00 C ATOM 308 C LYS A 23 -7.722 -5.017 -6.386 1.00 0.00 C ATOM 309 O LYS A 23 -8.818 -4.687 -6.792 1.00 0.00 O ATOM 310 CB LYS A 23 -8.492 -7.387 -6.224 1.00 0.00 C ATOM 311 CG LYS A 23 -9.146 -7.650 -7.581 1.00 0.00 C ATOM 312 CD LYS A 23 -9.436 -9.145 -7.727 1.00 0.00 C ATOM 313 CE LYS A 23 -10.078 -9.411 -9.090 1.00 0.00 C ATOM 314 NZ LYS A 23 -10.138 -10.880 -9.330 1.00 0.00 N ATOM 0 H LYS A 23 -5.336 -6.866 -5.609 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.801 -6.698 -7.367 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.190 -8.329 -5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.208 -6.919 -5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.071 -7.079 -7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.489 -7.316 -8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.513 -9.716 -7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.101 -9.477 -6.929 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.081 -8.985 -9.121 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.501 -8.926 -9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.574 -11.063 -10.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.175 -11.274 -9.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.706 -11.331 -8.585 1.00 0.00 H new ATOM 328 N GLY A 24 -6.882 -4.137 -5.914 1.00 0.00 N ATOM 329 CA GLY A 24 -7.262 -2.697 -5.868 1.00 0.00 C ATOM 330 C GLY A 24 -7.964 -2.393 -4.544 1.00 0.00 C ATOM 331 O GLY A 24 -8.683 -1.421 -4.424 1.00 0.00 O ATOM 0 H GLY A 24 -5.950 -4.353 -5.559 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.374 -2.073 -5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.920 -2.457 -6.703 1.00 0.00 H new ATOM 335 N ARG A 25 -7.763 -3.214 -3.547 1.00 0.00 N ATOM 336 CA ARG A 25 -8.423 -2.963 -2.234 1.00 0.00 C ATOM 337 C ARG A 25 -7.403 -2.392 -1.252 1.00 0.00 C ATOM 338 O ARG A 25 -7.455 -2.642 -0.066 1.00 0.00 O ATOM 339 CB ARG A 25 -8.991 -4.274 -1.684 1.00 0.00 C ATOM 340 CG ARG A 25 -10.213 -4.685 -2.508 1.00 0.00 C ATOM 341 CD ARG A 25 -10.219 -6.205 -2.690 1.00 0.00 C ATOM 342 NE ARG A 25 -11.449 -6.775 -2.071 1.00 0.00 N ATOM 343 CZ ARG A 25 -11.373 -7.857 -1.347 1.00 0.00 C ATOM 344 NH1 ARG A 25 -10.799 -8.926 -1.828 1.00 0.00 N ATOM 345 NH2 ARG A 25 -11.869 -7.870 -0.140 1.00 0.00 N ATOM 0 H ARG A 25 -7.172 -4.045 -3.586 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.235 -2.249 -2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.233 -5.056 -1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -9.269 -4.152 -0.637 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.127 -4.364 -2.008 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.192 -4.192 -3.480 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.183 -6.455 -3.750 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.332 -6.641 -2.230 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.350 -6.319 -2.214 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.410 -8.915 -2.771 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.740 -9.772 -1.261 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -12.316 -7.034 0.237 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.810 -8.716 0.427 1.00 0.00 H new ATOM 359 N GLY A 26 -6.478 -1.622 -1.744 1.00 0.00 N ATOM 360 CA GLY A 26 -5.443 -1.023 -0.857 1.00 0.00 C ATOM 361 C GLY A 26 -4.409 -0.277 -1.703 1.00 0.00 C ATOM 362 O GLY A 26 -3.848 -0.817 -2.635 1.00 0.00 O ATOM 0 H GLY A 26 -6.392 -1.379 -2.731 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.909 -0.339 -0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.955 -1.803 -0.273 1.00 0.00 H new ATOM 366 N LYS A 27 -4.156 0.966 -1.390 1.00 0.00 N ATOM 367 CA LYS A 27 -3.162 1.741 -2.185 1.00 0.00 C ATOM 368 C LYS A 27 -2.418 2.724 -1.278 1.00 0.00 C ATOM 369 O LYS A 27 -2.603 2.746 -0.076 1.00 0.00 O ATOM 370 CB LYS A 27 -3.886 2.514 -3.289 1.00 0.00 C ATOM 371 CG LYS A 27 -3.037 2.502 -4.562 1.00 0.00 C ATOM 372 CD LYS A 27 -3.316 3.769 -5.375 1.00 0.00 C ATOM 373 CE LYS A 27 -3.219 3.450 -6.868 1.00 0.00 C ATOM 374 NZ LYS A 27 -4.108 4.370 -7.633 1.00 0.00 N ATOM 0 H LYS A 27 -4.593 1.475 -0.622 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.444 1.052 -2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.859 2.064 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.067 3.540 -2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.979 2.448 -4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.267 1.618 -5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.308 4.154 -5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.600 4.548 -5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.189 3.557 -7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.508 2.415 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.042 4.153 -8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.091 4.246 -7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.813 5.354 -7.470 1.00 0.00 H new ATOM 388 N CYS A 28 -1.572 3.536 -1.854 1.00 0.00 N ATOM 389 CA CYS A 28 -0.799 4.521 -1.047 1.00 0.00 C ATOM 390 C CYS A 28 -1.553 5.859 -1.000 1.00 0.00 C ATOM 391 O CYS A 28 -1.472 6.650 -1.919 1.00 0.00 O ATOM 392 CB CYS A 28 0.565 4.740 -1.705 1.00 0.00 C ATOM 393 SG CYS A 28 1.549 3.230 -1.557 1.00 0.00 S ATOM 0 H CYS A 28 -1.383 3.558 -2.856 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.672 4.141 -0.033 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.437 5.003 -2.755 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.082 5.573 -1.228 1.00 0.00 H new ATOM 398 N TYR A 29 -2.285 6.131 0.053 1.00 0.00 N ATOM 399 CA TYR A 29 -3.024 7.422 0.122 1.00 0.00 C ATOM 400 C TYR A 29 -2.191 8.448 0.890 1.00 0.00 C ATOM 401 O TYR A 29 -2.161 8.452 2.104 1.00 0.00 O ATOM 402 CB TYR A 29 -4.358 7.207 0.839 1.00 0.00 C ATOM 403 CG TYR A 29 -5.313 6.507 -0.093 1.00 0.00 C ATOM 404 CD1 TYR A 29 -5.512 6.999 -1.387 1.00 0.00 C ATOM 405 CD2 TYR A 29 -5.997 5.364 0.336 1.00 0.00 C ATOM 406 CE1 TYR A 29 -6.396 6.347 -2.254 1.00 0.00 C ATOM 407 CE2 TYR A 29 -6.882 4.712 -0.531 1.00 0.00 C ATOM 408 CZ TYR A 29 -7.081 5.204 -1.827 1.00 0.00 C ATOM 409 OH TYR A 29 -7.952 4.561 -2.682 1.00 0.00 O ATOM 0 H TYR A 29 -2.400 5.518 0.860 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.209 7.789 -0.888 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.209 6.612 1.740 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.774 8.164 1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.984 7.881 -1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.842 4.985 1.335 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.550 6.726 -3.253 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.411 3.830 -0.201 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.343 3.785 -2.228 1.00 0.00 H new ATOM 419 N GLY A 30 -1.515 9.320 0.193 1.00 0.00 N ATOM 420 CA GLY A 30 -0.689 10.343 0.889 1.00 0.00 C ATOM 421 C GLY A 30 0.300 9.649 1.825 1.00 0.00 C ATOM 422 O GLY A 30 1.026 8.763 1.421 1.00 0.00 O ATOM 0 H GLY A 30 -1.500 9.367 -0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.152 10.949 0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.329 11.019 1.456 1.00 0.00 H new ATOM 426 N PRO A 31 0.286 10.081 3.052 1.00 0.00 N ATOM 427 CA PRO A 31 1.197 9.481 4.052 1.00 0.00 C ATOM 428 C PRO A 31 0.458 8.421 4.876 1.00 0.00 C ATOM 429 O PRO A 31 0.636 8.317 6.073 1.00 0.00 O ATOM 430 CB PRO A 31 1.621 10.658 4.934 1.00 0.00 C ATOM 431 CG PRO A 31 0.530 11.733 4.768 1.00 0.00 C ATOM 432 CD PRO A 31 -0.159 11.442 3.425 1.00 0.00 C ATOM 0 HA PRO A 31 2.051 8.979 3.596 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.710 10.351 5.976 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.595 11.041 4.630 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.185 11.692 5.589 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.965 12.733 4.774 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.244 11.490 3.520 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.128 12.172 2.668 1.00 0.00 H new ATOM 440 N GLN A 32 -0.369 7.633 4.243 1.00 0.00 N ATOM 441 CA GLN A 32 -1.114 6.581 4.993 1.00 0.00 C ATOM 442 C GLN A 32 -1.615 5.509 4.022 1.00 0.00 C ATOM 443 O GLN A 32 -2.323 5.795 3.077 1.00 0.00 O ATOM 444 CB GLN A 32 -2.309 7.214 5.710 1.00 0.00 C ATOM 445 CG GLN A 32 -2.829 6.251 6.780 1.00 0.00 C ATOM 446 CD GLN A 32 -3.672 7.023 7.797 1.00 0.00 C ATOM 447 OE1 GLN A 32 -3.436 6.942 8.986 1.00 0.00 O ATOM 448 NE2 GLN A 32 -4.654 7.774 7.378 1.00 0.00 N ATOM 0 H GLN A 32 -0.561 7.672 3.242 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.448 6.123 5.725 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.014 8.158 6.168 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.099 7.440 4.994 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.427 5.466 6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.994 5.762 7.281 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.853 7.843 6.380 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.222 8.292 8.049 1.00 0.00 H new ATOM 457 N CYS A 33 -1.261 4.274 4.255 1.00 0.00 N ATOM 458 CA CYS A 33 -1.724 3.180 3.355 1.00 0.00 C ATOM 459 C CYS A 33 -3.090 2.687 3.839 1.00 0.00 C ATOM 460 O CYS A 33 -3.247 2.297 4.979 1.00 0.00 O ATOM 461 CB CYS A 33 -0.720 2.026 3.395 1.00 0.00 C ATOM 462 SG CYS A 33 -1.048 0.893 2.020 1.00 0.00 S ATOM 0 H CYS A 33 -0.670 3.976 5.031 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.804 3.550 2.333 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.297 2.412 3.327 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.797 1.495 4.344 1.00 0.00 H new ATOM 467 N LEU A 34 -4.085 2.709 2.992 1.00 0.00 N ATOM 468 CA LEU A 34 -5.435 2.249 3.430 1.00 0.00 C ATOM 469 C LEU A 34 -6.039 1.316 2.378 1.00 0.00 C ATOM 470 O LEU A 34 -5.432 1.021 1.369 1.00 0.00 O ATOM 471 CB LEU A 34 -6.351 3.462 3.615 1.00 0.00 C ATOM 472 CG LEU A 34 -5.665 4.493 4.514 1.00 0.00 C ATOM 473 CD1 LEU A 34 -5.969 5.903 4.004 1.00 0.00 C ATOM 474 CD2 LEU A 34 -6.188 4.351 5.944 1.00 0.00 C ATOM 0 H LEU A 34 -4.023 3.023 2.024 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.338 1.711 4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.583 3.906 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.297 3.151 4.058 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.588 4.324 4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.479 6.635 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.599 6.009 2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.046 6.071 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.700 5.085 6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.265 4.518 5.956 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.973 3.348 6.312 1.00 0.00 H new ATOM 486 N CYS A 35 -7.238 0.852 2.613 1.00 0.00 N ATOM 487 CA CYS A 35 -7.897 -0.061 1.637 1.00 0.00 C ATOM 488 C CYS A 35 -8.669 0.768 0.608 1.00 0.00 C ATOM 489 O CYS A 35 -8.738 1.978 0.699 1.00 0.00 O ATOM 490 CB CYS A 35 -8.868 -0.979 2.384 1.00 0.00 C ATOM 491 SG CYS A 35 -8.106 -1.515 3.934 1.00 0.00 S ATOM 0 H CYS A 35 -7.790 1.068 3.443 1.00 0.00 H new ATOM 0 HA CYS A 35 -7.143 -0.661 1.128 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -9.801 -0.454 2.586 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -9.116 -1.844 1.769 1.00 0.00 H new ATOM 496 N ARG A 36 -9.252 0.130 -0.370 1.00 0.00 N ATOM 497 CA ARG A 36 -10.018 0.888 -1.398 1.00 0.00 C ATOM 498 C ARG A 36 -11.106 1.719 -0.715 1.00 0.00 C ATOM 499 O ARG A 36 -11.762 1.190 0.166 1.00 0.00 O ATOM 500 CB ARG A 36 -10.666 -0.088 -2.381 1.00 0.00 C ATOM 501 CG ARG A 36 -11.533 0.688 -3.374 1.00 0.00 C ATOM 502 CD ARG A 36 -12.953 0.821 -2.819 1.00 0.00 C ATOM 503 NE ARG A 36 -13.925 0.280 -3.811 1.00 0.00 N ATOM 504 CZ ARG A 36 -15.173 0.095 -3.471 1.00 0.00 C ATOM 505 NH1 ARG A 36 -16.034 1.067 -3.597 1.00 0.00 N ATOM 506 NH2 ARG A 36 -15.558 -1.063 -3.007 1.00 0.00 N ATOM 507 OXT ARG A 36 -11.264 2.870 -1.086 1.00 0.00 O ATOM 0 H ARG A 36 -9.231 -0.881 -0.501 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.340 1.548 -1.938 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.897 -0.648 -2.913 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.274 -0.814 -1.841 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.107 1.675 -3.551 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.554 0.173 -4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.039 0.280 -1.877 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.176 1.867 -2.608 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.616 0.054 -4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.733 1.971 -3.961 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.008 0.923 -3.332 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.885 -1.823 -2.910 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.532 -1.208 -2.741 1.00 0.00 H new