USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 370 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 30 ASN : amide:sc= -1.04! C(o=-0.37!,f=-2.2!) USER MOD Set 1.2: A 31 SER OG : rot -56:sc= 0.678 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -123:sc= -0.546 (180deg=-1.87) USER MOD Single : A 17 SER OG : rot 180:sc= -1.11 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 21 GLN :FLIP amide:sc= -1.12 F(o=-8.2!,f=-1.1) USER MOD Single : A 25 SER OG : rot -55:sc= 0.0323 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -9.99! C(o=-10!,f=-15!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0426 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 139:sc= -0.329! USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 86 N PRO A 7 20.241 1.208 -1.734 1.00 0.00 N ATOM 87 CA PRO A 7 20.960 0.561 -0.635 1.00 0.00 C ATOM 88 C PRO A 7 20.910 -0.946 -0.794 1.00 0.00 C ATOM 89 O PRO A 7 19.888 -1.493 -1.157 1.00 0.00 O ATOM 90 CB PRO A 7 20.190 0.955 0.633 1.00 0.00 C ATOM 91 CG PRO A 7 18.904 1.700 0.188 1.00 0.00 C ATOM 92 CD PRO A 7 18.953 1.823 -1.344 1.00 0.00 C ATOM 0 HA PRO A 7 22.007 0.862 -0.605 1.00 0.00 H new ATOM 0 HB2 PRO A 7 19.937 0.071 1.218 1.00 0.00 H new ATOM 0 HB3 PRO A 7 20.802 1.594 1.270 1.00 0.00 H new ATOM 0 HG2 PRO A 7 18.015 1.153 0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 7 18.851 2.685 0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 7 18.112 1.308 -1.809 1.00 0.00 H new ATOM 0 HD3 PRO A 7 18.902 2.865 -1.659 1.00 0.00 H new ATOM 100 N CYS A 8 22.009 -1.588 -0.528 1.00 0.00 N ATOM 101 CA CYS A 8 22.042 -3.063 -0.657 1.00 0.00 C ATOM 102 C CYS A 8 22.738 -3.680 0.516 1.00 0.00 C ATOM 103 O CYS A 8 22.842 -3.085 1.570 1.00 0.00 O ATOM 104 CB CYS A 8 22.815 -3.437 -1.921 1.00 0.00 C ATOM 105 SG CYS A 8 24.592 -3.757 -1.755 1.00 0.00 S ATOM 0 H CYS A 8 22.882 -1.155 -0.228 1.00 0.00 H new ATOM 0 HA CYS A 8 21.017 -3.430 -0.704 1.00 0.00 H new ATOM 0 HB2 CYS A 8 22.352 -4.327 -2.347 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.685 -2.632 -2.645 1.00 0.00 H new ATOM 110 N CYS A 9 23.206 -4.863 0.317 1.00 0.00 N ATOM 111 CA CYS A 9 23.910 -5.540 1.433 1.00 0.00 C ATOM 112 C CYS A 9 24.970 -6.517 0.952 1.00 0.00 C ATOM 113 O CYS A 9 25.162 -6.712 -0.228 1.00 0.00 O ATOM 114 CB CYS A 9 22.874 -6.315 2.240 1.00 0.00 C ATOM 115 SG CYS A 9 22.436 -5.652 3.855 1.00 0.00 S ATOM 0 H CYS A 9 23.138 -5.391 -0.553 1.00 0.00 H new ATOM 0 HA CYS A 9 24.412 -4.776 2.027 1.00 0.00 H new ATOM 0 HB2 CYS A 9 21.964 -6.386 1.644 1.00 0.00 H new ATOM 0 HB3 CYS A 9 23.244 -7.331 2.379 1.00 0.00 H new ATOM 120 N ASP A 10 25.652 -7.096 1.898 1.00 0.00 N ATOM 121 CA ASP A 10 26.714 -8.071 1.558 1.00 0.00 C ATOM 122 C ASP A 10 26.842 -9.086 2.684 1.00 0.00 C ATOM 123 O ASP A 10 26.881 -10.279 2.454 1.00 0.00 O ATOM 124 CB ASP A 10 28.042 -7.316 1.401 1.00 0.00 C ATOM 125 CG ASP A 10 28.201 -6.874 -0.056 1.00 0.00 C ATOM 126 OD1 ASP A 10 28.748 -7.667 -0.804 1.00 0.00 O ATOM 127 OD2 ASP A 10 27.765 -5.770 -0.339 1.00 0.00 O ATOM 0 H ASP A 10 25.516 -6.933 2.896 1.00 0.00 H new ATOM 0 HA ASP A 10 26.466 -8.587 0.631 1.00 0.00 H new ATOM 0 HB2 ASP A 10 28.061 -6.449 2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.875 -7.956 1.692 1.00 0.00 H new ATOM 132 N GLN A 11 26.906 -8.575 3.885 1.00 0.00 N ATOM 133 CA GLN A 11 27.027 -9.457 5.076 1.00 0.00 C ATOM 134 C GLN A 11 25.825 -9.234 5.972 1.00 0.00 C ATOM 135 O GLN A 11 25.646 -8.157 6.505 1.00 0.00 O ATOM 136 CB GLN A 11 28.293 -9.076 5.846 1.00 0.00 C ATOM 137 CG GLN A 11 29.485 -9.076 4.888 1.00 0.00 C ATOM 138 CD GLN A 11 30.720 -9.601 5.622 1.00 0.00 C ATOM 139 OE1 GLN A 11 30.783 -10.750 6.008 1.00 0.00 O ATOM 140 NE2 GLN A 11 31.720 -8.793 5.836 1.00 0.00 N ATOM 0 H GLN A 11 26.879 -7.576 4.090 1.00 0.00 H new ATOM 0 HA GLN A 11 27.077 -10.501 4.766 1.00 0.00 H new ATOM 0 HB2 GLN A 11 28.175 -8.091 6.298 1.00 0.00 H new ATOM 0 HB3 GLN A 11 28.465 -9.782 6.659 1.00 0.00 H new ATOM 0 HG2 GLN A 11 29.270 -9.700 4.021 1.00 0.00 H new ATOM 0 HG3 GLN A 11 29.669 -8.068 4.517 1.00 0.00 H new ATOM 0 HE21 GLN A 11 31.673 -7.826 5.514 1.00 0.00 H new ATOM 0 HE22 GLN A 11 32.550 -9.127 6.326 1.00 0.00 H new ATOM 149 N CYS A 12 25.026 -10.253 6.127 1.00 0.00 N ATOM 150 CA CYS A 12 23.820 -10.115 6.987 1.00 0.00 C ATOM 151 C CYS A 12 23.950 -10.934 8.272 1.00 0.00 C ATOM 152 O CYS A 12 24.664 -11.916 8.320 1.00 0.00 O ATOM 153 CB CYS A 12 22.625 -10.647 6.187 1.00 0.00 C ATOM 154 SG CYS A 12 21.311 -9.475 5.788 1.00 0.00 S ATOM 0 H CYS A 12 25.155 -11.169 5.698 1.00 0.00 H new ATOM 0 HA CYS A 12 23.695 -9.069 7.266 1.00 0.00 H new ATOM 0 HB2 CYS A 12 23.002 -11.062 5.253 1.00 0.00 H new ATOM 0 HB3 CYS A 12 22.184 -11.471 6.747 1.00 0.00 H new ATOM 159 N ALA A 13 23.251 -10.508 9.293 1.00 0.00 N ATOM 160 CA ALA A 13 23.308 -11.238 10.588 1.00 0.00 C ATOM 161 C ALA A 13 22.092 -10.888 11.445 1.00 0.00 C ATOM 162 O ALA A 13 21.733 -9.732 11.552 1.00 0.00 O ATOM 163 CB ALA A 13 24.581 -10.806 11.331 1.00 0.00 C ATOM 0 H ALA A 13 22.645 -9.687 9.283 1.00 0.00 H new ATOM 0 HA ALA A 13 23.314 -12.312 10.401 1.00 0.00 H new ATOM 0 HB1 ALA A 13 24.642 -11.331 12.284 1.00 0.00 H new ATOM 0 HB2 ALA A 13 25.455 -11.049 10.727 1.00 0.00 H new ATOM 0 HB3 ALA A 13 24.551 -9.731 11.510 1.00 0.00 H new ATOM 169 N CYS A 14 21.478 -11.896 12.041 1.00 0.00 N ATOM 170 CA CYS A 14 20.278 -11.625 12.894 1.00 0.00 C ATOM 171 C CYS A 14 20.469 -12.108 14.321 1.00 0.00 C ATOM 172 O CYS A 14 21.176 -13.063 14.574 1.00 0.00 O ATOM 173 CB CYS A 14 19.063 -12.345 12.294 1.00 0.00 C ATOM 174 SG CYS A 14 17.665 -11.316 11.765 1.00 0.00 S ATOM 0 H CYS A 14 21.755 -12.875 11.972 1.00 0.00 H new ATOM 0 HA CYS A 14 20.127 -10.546 12.918 1.00 0.00 H new ATOM 0 HB2 CYS A 14 19.403 -12.921 11.433 1.00 0.00 H new ATOM 0 HB3 CYS A 14 18.696 -13.060 13.031 1.00 0.00 H new ATOM 179 N THR A 15 19.819 -11.421 15.230 1.00 0.00 N ATOM 180 CA THR A 15 19.921 -11.793 16.659 1.00 0.00 C ATOM 181 C THR A 15 18.648 -12.493 17.106 1.00 0.00 C ATOM 182 O THR A 15 17.557 -12.083 16.761 1.00 0.00 O ATOM 183 CB THR A 15 20.096 -10.510 17.479 1.00 0.00 C ATOM 184 OG1 THR A 15 21.492 -10.290 17.540 1.00 0.00 O ATOM 185 CG2 THR A 15 19.679 -10.732 18.939 1.00 0.00 C ATOM 0 H THR A 15 19.222 -10.617 15.034 1.00 0.00 H new ATOM 0 HA THR A 15 20.768 -12.464 16.805 1.00 0.00 H new ATOM 0 HB THR A 15 19.511 -9.706 17.032 1.00 0.00 H new ATOM 0 HG1 THR A 15 21.673 -9.476 18.054 1.00 0.00 H new ATOM 0 HG21 THR A 15 19.812 -9.807 19.500 1.00 0.00 H new ATOM 0 HG22 THR A 15 18.632 -11.031 18.977 1.00 0.00 H new ATOM 0 HG23 THR A 15 20.296 -11.515 19.379 1.00 0.00 H new ATOM 193 N LYS A 16 18.806 -13.533 17.866 1.00 0.00 N ATOM 194 CA LYS A 16 17.615 -14.272 18.343 1.00 0.00 C ATOM 195 C LYS A 16 16.788 -13.425 19.308 1.00 0.00 C ATOM 196 O LYS A 16 17.233 -13.092 20.390 1.00 0.00 O ATOM 197 CB LYS A 16 18.100 -15.536 19.063 1.00 0.00 C ATOM 198 CG LYS A 16 19.119 -16.251 18.171 1.00 0.00 C ATOM 199 CD LYS A 16 19.488 -17.598 18.798 1.00 0.00 C ATOM 200 CE LYS A 16 20.127 -17.364 20.171 1.00 0.00 C ATOM 201 NZ LYS A 16 19.094 -17.423 21.241 1.00 0.00 N ATOM 0 H LYS A 16 19.705 -13.902 18.176 1.00 0.00 H new ATOM 0 HA LYS A 16 16.982 -14.523 17.492 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.553 -15.275 20.020 1.00 0.00 H new ATOM 0 HB3 LYS A 16 17.258 -16.195 19.278 1.00 0.00 H new ATOM 0 HG2 LYS A 16 18.703 -16.403 17.175 1.00 0.00 H new ATOM 0 HG3 LYS A 16 20.011 -15.636 18.054 1.00 0.00 H new ATOM 0 HD2 LYS A 16 18.598 -18.220 18.900 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.180 -18.136 18.150 1.00 0.00 H new ATOM 0 HE2 LYS A 16 20.894 -18.116 20.355 1.00 0.00 H new ATOM 0 HE3 LYS A 16 20.622 -16.393 20.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 19.101 -16.533 21.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.157 -17.560 20.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 19.301 -18.217 21.880 1.00 0.00 H new ATOM 215 N SER A 17 15.594 -13.092 18.890 1.00 0.00 N ATOM 216 CA SER A 17 14.710 -12.269 19.757 1.00 0.00 C ATOM 217 C SER A 17 13.243 -12.488 19.374 1.00 0.00 C ATOM 218 O SER A 17 12.897 -13.520 18.833 1.00 0.00 O ATOM 219 CB SER A 17 15.079 -10.790 19.561 1.00 0.00 C ATOM 220 OG SER A 17 16.293 -10.832 18.830 1.00 0.00 O ATOM 0 H SER A 17 15.197 -13.355 17.988 1.00 0.00 H new ATOM 0 HA SER A 17 14.843 -12.557 20.800 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.303 -10.254 19.015 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.206 -10.281 20.516 1.00 0.00 H new ATOM 0 HG SER A 17 16.603 -9.918 18.658 1.00 0.00 H new ATOM 226 N ASN A 18 12.403 -11.523 19.653 1.00 0.00 N ATOM 227 CA ASN A 18 10.971 -11.701 19.297 1.00 0.00 C ATOM 228 C ASN A 18 10.212 -10.340 19.227 1.00 0.00 C ATOM 229 O ASN A 18 9.807 -9.816 20.247 1.00 0.00 O ATOM 230 CB ASN A 18 10.331 -12.567 20.405 1.00 0.00 C ATOM 231 CG ASN A 18 9.535 -13.706 19.761 1.00 0.00 C ATOM 232 OD1 ASN A 18 10.094 -14.649 19.236 1.00 0.00 O ATOM 233 ND2 ASN A 18 8.231 -13.661 19.784 1.00 0.00 N ATOM 0 H ASN A 18 12.643 -10.639 20.102 1.00 0.00 H new ATOM 0 HA ASN A 18 10.903 -12.167 18.314 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.104 -12.972 21.058 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.676 -11.957 21.027 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.687 -14.414 19.363 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.756 -12.873 20.223 1.00 0.00 H new ATOM 240 N PRO A 19 10.039 -9.761 18.023 1.00 0.00 N ATOM 241 CA PRO A 19 10.546 -10.298 16.738 1.00 0.00 C ATOM 242 C PRO A 19 12.083 -10.281 16.712 1.00 0.00 C ATOM 243 O PRO A 19 12.697 -9.587 17.492 1.00 0.00 O ATOM 244 CB PRO A 19 10.021 -9.313 15.671 1.00 0.00 C ATOM 245 CG PRO A 19 9.235 -8.192 16.407 1.00 0.00 C ATOM 246 CD PRO A 19 9.282 -8.507 17.908 1.00 0.00 C ATOM 0 HA PRO A 19 10.223 -11.326 16.576 1.00 0.00 H new ATOM 0 HB2 PRO A 19 10.848 -8.889 15.102 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.376 -9.828 14.960 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.678 -7.217 16.206 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.204 -8.152 16.055 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.767 -7.704 18.462 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.278 -8.616 18.318 1.00 0.00 H new ATOM 254 N PRO A 20 12.684 -11.033 15.804 1.00 0.00 N ATOM 255 CA PRO A 20 14.149 -11.079 15.703 1.00 0.00 C ATOM 256 C PRO A 20 14.725 -9.718 15.308 1.00 0.00 C ATOM 257 O PRO A 20 14.023 -8.875 14.787 1.00 0.00 O ATOM 258 CB PRO A 20 14.434 -12.090 14.574 1.00 0.00 C ATOM 259 CG PRO A 20 13.067 -12.477 13.939 1.00 0.00 C ATOM 260 CD PRO A 20 11.965 -11.872 14.825 1.00 0.00 C ATOM 0 HA PRO A 20 14.600 -11.354 16.657 1.00 0.00 H new ATOM 0 HB2 PRO A 20 15.095 -11.653 13.825 1.00 0.00 H new ATOM 0 HB3 PRO A 20 14.938 -12.973 14.968 1.00 0.00 H new ATOM 0 HG2 PRO A 20 12.994 -12.095 12.921 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.963 -13.560 13.882 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.265 -11.280 14.236 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.385 -12.650 15.322 1.00 0.00 H new ATOM 268 N GLN A 21 15.999 -9.536 15.567 1.00 0.00 N ATOM 269 CA GLN A 21 16.655 -8.243 15.214 1.00 0.00 C ATOM 270 C GLN A 21 17.575 -8.491 14.041 1.00 0.00 C ATOM 271 O GLN A 21 17.956 -9.617 13.811 1.00 0.00 O ATOM 272 CB GLN A 21 17.486 -7.764 16.416 1.00 0.00 C ATOM 273 CG GLN A 21 17.034 -6.355 16.804 1.00 0.00 C ATOM 274 CD GLN A 21 15.605 -6.416 17.351 1.00 0.00 C ATOM 275 OE1 GLN A 21 14.940 -7.535 17.259 1.00 0.00 O flip ATOM 276 NE2 GLN A 21 15.084 -5.446 17.865 1.00 0.00 N flip ATOM 0 H GLN A 21 16.608 -10.226 16.006 1.00 0.00 H new ATOM 0 HA GLN A 21 15.910 -7.488 14.960 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.359 -8.445 17.257 1.00 0.00 H new ATOM 0 HB3 GLN A 21 18.547 -7.763 16.164 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.706 -5.939 17.555 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.076 -5.695 15.937 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.600 -4.569 17.939 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.131 -5.509 18.222 1.00 0.00 H new ATOM 285 N CYS A 22 17.945 -7.474 13.306 1.00 0.00 N ATOM 286 CA CYS A 22 18.843 -7.779 12.167 1.00 0.00 C ATOM 287 C CYS A 22 19.613 -6.607 11.625 1.00 0.00 C ATOM 288 O CYS A 22 19.060 -5.607 11.227 1.00 0.00 O ATOM 289 CB CYS A 22 18.007 -8.380 11.028 1.00 0.00 C ATOM 290 SG CYS A 22 18.472 -10.030 10.431 1.00 0.00 S ATOM 0 H CYS A 22 17.679 -6.498 13.437 1.00 0.00 H new ATOM 0 HA CYS A 22 19.588 -8.472 12.557 1.00 0.00 H new ATOM 0 HB2 CYS A 22 16.969 -8.421 11.358 1.00 0.00 H new ATOM 0 HB3 CYS A 22 18.046 -7.693 10.183 1.00 0.00 H new ATOM 295 N ARG A 23 20.901 -6.782 11.634 1.00 0.00 N ATOM 296 CA ARG A 23 21.810 -5.752 11.137 1.00 0.00 C ATOM 297 C ARG A 23 22.551 -6.340 9.953 1.00 0.00 C ATOM 298 O ARG A 23 22.888 -7.512 9.957 1.00 0.00 O ATOM 299 CB ARG A 23 22.790 -5.384 12.277 1.00 0.00 C ATOM 300 CG ARG A 23 24.192 -5.964 12.025 1.00 0.00 C ATOM 301 CD ARG A 23 25.067 -5.670 13.247 1.00 0.00 C ATOM 302 NE ARG A 23 24.898 -6.765 14.243 1.00 0.00 N ATOM 303 CZ ARG A 23 25.260 -6.565 15.480 1.00 0.00 C ATOM 304 NH1 ARG A 23 26.454 -6.093 15.719 1.00 0.00 N ATOM 305 NH2 ARG A 23 24.419 -6.845 16.438 1.00 0.00 N ATOM 0 H ARG A 23 21.362 -7.625 11.978 1.00 0.00 H new ATOM 0 HA ARG A 23 21.283 -4.850 10.825 1.00 0.00 H new ATOM 0 HB2 ARG A 23 22.855 -4.300 12.367 1.00 0.00 H new ATOM 0 HB3 ARG A 23 22.405 -5.760 13.225 1.00 0.00 H new ATOM 0 HG2 ARG A 23 24.132 -7.039 11.852 1.00 0.00 H new ATOM 0 HG3 ARG A 23 24.630 -5.521 11.130 1.00 0.00 H new ATOM 0 HD2 ARG A 23 26.113 -5.590 12.950 1.00 0.00 H new ATOM 0 HD3 ARG A 23 24.787 -4.714 13.689 1.00 0.00 H new ATOM 0 HE ARG A 23 24.503 -7.662 13.960 1.00 0.00 H new ATOM 0 HH11 ARG A 23 27.085 -5.887 14.945 1.00 0.00 H new ATOM 0 HH12 ARG A 23 26.755 -5.930 16.680 1.00 0.00 H new ATOM 0 HH21 ARG A 23 23.495 -7.214 16.214 1.00 0.00 H new ATOM 0 HH22 ARG A 23 24.686 -6.695 17.411 1.00 0.00 H new ATOM 319 N CYS A 24 22.775 -5.548 8.955 1.00 0.00 N ATOM 320 CA CYS A 24 23.491 -6.075 7.774 1.00 0.00 C ATOM 321 C CYS A 24 24.415 -5.032 7.189 1.00 0.00 C ATOM 322 O CYS A 24 24.502 -3.931 7.693 1.00 0.00 O ATOM 323 CB CYS A 24 22.447 -6.468 6.735 1.00 0.00 C ATOM 324 SG CYS A 24 23.048 -7.066 5.146 1.00 0.00 S ATOM 0 H CYS A 24 22.497 -4.568 8.904 1.00 0.00 H new ATOM 0 HA CYS A 24 24.097 -6.932 8.067 1.00 0.00 H new ATOM 0 HB2 CYS A 24 21.814 -7.242 7.169 1.00 0.00 H new ATOM 0 HB3 CYS A 24 21.811 -5.602 6.551 1.00 0.00 H new ATOM 329 N SER A 25 25.086 -5.389 6.125 1.00 0.00 N ATOM 330 CA SER A 25 26.011 -4.411 5.507 1.00 0.00 C ATOM 331 C SER A 25 26.854 -3.794 6.606 1.00 0.00 C ATOM 332 O SER A 25 27.214 -2.634 6.568 1.00 0.00 O ATOM 333 CB SER A 25 25.180 -3.322 4.824 1.00 0.00 C ATOM 334 OG SER A 25 26.058 -2.771 3.855 1.00 0.00 O ATOM 0 H SER A 25 25.032 -6.300 5.669 1.00 0.00 H new ATOM 0 HA SER A 25 26.656 -4.894 4.773 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.285 -3.736 4.360 1.00 0.00 H new ATOM 0 HB3 SER A 25 24.850 -2.567 5.537 1.00 0.00 H new ATOM 0 HG SER A 25 26.881 -2.469 4.293 1.00 0.00 H new ATOM 340 N ASP A 26 27.142 -4.616 7.565 1.00 0.00 N ATOM 341 CA ASP A 26 27.945 -4.197 8.715 1.00 0.00 C ATOM 342 C ASP A 26 29.068 -3.240 8.335 1.00 0.00 C ATOM 343 O ASP A 26 29.012 -2.060 8.653 1.00 0.00 O ATOM 344 CB ASP A 26 28.545 -5.470 9.306 1.00 0.00 C ATOM 345 CG ASP A 26 27.550 -6.083 10.295 1.00 0.00 C ATOM 346 OD1 ASP A 26 26.447 -6.359 9.852 1.00 0.00 O ATOM 347 OD2 ASP A 26 27.949 -6.241 11.435 1.00 0.00 O ATOM 0 H ASP A 26 26.840 -5.590 7.592 1.00 0.00 H new ATOM 0 HA ASP A 26 27.311 -3.661 9.421 1.00 0.00 H new ATOM 0 HB2 ASP A 26 28.773 -6.182 8.512 1.00 0.00 H new ATOM 0 HB3 ASP A 26 29.485 -5.244 9.810 1.00 0.00 H new ATOM 352 N MET A 27 30.065 -3.757 7.658 1.00 0.00 N ATOM 353 CA MET A 27 31.197 -2.901 7.255 1.00 0.00 C ATOM 354 C MET A 27 31.136 -2.522 5.783 1.00 0.00 C ATOM 355 O MET A 27 30.628 -3.260 4.960 1.00 0.00 O ATOM 356 CB MET A 27 32.493 -3.692 7.471 1.00 0.00 C ATOM 357 CG MET A 27 32.201 -5.022 8.181 1.00 0.00 C ATOM 358 SD MET A 27 33.624 -6.023 8.676 1.00 0.00 S ATOM 359 CE MET A 27 32.745 -7.118 9.822 1.00 0.00 C ATOM 0 H MET A 27 30.133 -4.734 7.373 1.00 0.00 H new ATOM 0 HA MET A 27 31.156 -1.989 7.851 1.00 0.00 H new ATOM 0 HB2 MET A 27 32.973 -3.883 6.511 1.00 0.00 H new ATOM 0 HB3 MET A 27 33.191 -3.102 8.065 1.00 0.00 H new ATOM 0 HG2 MET A 27 31.612 -4.807 9.073 1.00 0.00 H new ATOM 0 HG3 MET A 27 31.575 -5.626 7.524 1.00 0.00 H new ATOM 0 HE1 MET A 27 33.447 -7.832 10.253 1.00 0.00 H new ATOM 0 HE2 MET A 27 32.295 -6.525 10.619 1.00 0.00 H new ATOM 0 HE3 MET A 27 31.964 -7.656 9.285 1.00 0.00 H new ATOM 369 N ARG A 28 31.659 -1.366 5.490 1.00 0.00 N ATOM 370 CA ARG A 28 31.668 -0.882 4.090 1.00 0.00 C ATOM 371 C ARG A 28 33.003 -0.183 3.824 1.00 0.00 C ATOM 372 O ARG A 28 33.922 -0.310 4.609 1.00 0.00 O ATOM 373 CB ARG A 28 30.499 0.118 3.843 1.00 0.00 C ATOM 374 CG ARG A 28 29.660 0.328 5.110 1.00 0.00 C ATOM 375 CD ARG A 28 28.370 1.058 4.728 1.00 0.00 C ATOM 376 NE ARG A 28 27.724 1.585 5.960 1.00 0.00 N ATOM 377 CZ ARG A 28 26.438 1.451 6.107 1.00 0.00 C ATOM 378 NH1 ARG A 28 25.895 0.291 5.856 1.00 0.00 N ATOM 379 NH2 ARG A 28 25.733 2.477 6.502 1.00 0.00 N ATOM 0 H ARG A 28 32.083 -0.733 6.168 1.00 0.00 H new ATOM 0 HA ARG A 28 31.541 -1.730 3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 28 30.902 1.074 3.510 1.00 0.00 H new ATOM 0 HB3 ARG A 28 29.862 -0.256 3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 28 29.429 -0.631 5.573 1.00 0.00 H new ATOM 0 HG3 ARG A 28 30.220 0.909 5.842 1.00 0.00 H new ATOM 0 HD2 ARG A 28 28.590 1.875 4.040 1.00 0.00 H new ATOM 0 HD3 ARG A 28 27.693 0.379 4.210 1.00 0.00 H new ATOM 0 HE ARG A 28 28.281 2.045 6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 28 26.477 -0.489 5.551 1.00 0.00 H new ATOM 0 HH12 ARG A 28 24.889 0.165 5.965 1.00 0.00 H new ATOM 0 HH21 ARG A 28 26.191 3.368 6.691 1.00 0.00 H new ATOM 0 HH22 ARG A 28 24.724 2.387 6.622 1.00 0.00 H new ATOM 393 N LEU A 29 33.099 0.537 2.740 1.00 0.00 N ATOM 394 CA LEU A 29 34.386 1.232 2.448 1.00 0.00 C ATOM 395 C LEU A 29 34.392 2.652 3.040 1.00 0.00 C ATOM 396 O LEU A 29 34.857 2.854 4.141 1.00 0.00 O ATOM 397 CB LEU A 29 34.570 1.253 0.892 1.00 0.00 C ATOM 398 CG LEU A 29 36.065 1.347 0.497 1.00 0.00 C ATOM 399 CD1 LEU A 29 36.663 2.671 0.991 1.00 0.00 C ATOM 400 CD2 LEU A 29 36.844 0.161 1.089 1.00 0.00 C ATOM 0 H LEU A 29 32.357 0.673 2.054 1.00 0.00 H new ATOM 0 HA LEU A 29 35.219 0.703 2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 29 34.135 0.351 0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 29 34.028 2.100 0.472 1.00 0.00 H new ATOM 0 HG LEU A 29 36.143 1.312 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 29 37.714 2.724 0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 29 36.123 3.504 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 29 36.577 2.726 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 29 37.894 0.237 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 29 36.760 0.176 2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 29 36.431 -0.773 0.706 1.00 0.00 H new ATOM 412 N ASN A 30 33.883 3.587 2.310 1.00 0.00 N ATOM 413 CA ASN A 30 33.848 4.998 2.806 1.00 0.00 C ATOM 414 C ASN A 30 32.402 5.454 3.041 1.00 0.00 C ATOM 415 O ASN A 30 31.682 4.860 3.814 1.00 0.00 O ATOM 416 CB ASN A 30 34.481 5.913 1.745 1.00 0.00 C ATOM 417 CG ASN A 30 34.556 7.343 2.292 1.00 0.00 C ATOM 418 OD1 ASN A 30 33.873 8.234 1.829 1.00 0.00 O ATOM 419 ND2 ASN A 30 35.375 7.601 3.275 1.00 0.00 N ATOM 0 H ASN A 30 33.484 3.445 1.382 1.00 0.00 H new ATOM 0 HA ASN A 30 34.397 5.053 3.746 1.00 0.00 H new ATOM 0 HB2 ASN A 30 35.479 5.556 1.488 1.00 0.00 H new ATOM 0 HB3 ASN A 30 33.890 5.892 0.830 1.00 0.00 H new ATOM 0 HD21 ASN A 30 35.439 8.547 3.651 1.00 0.00 H new ATOM 0 HD22 ASN A 30 35.951 6.856 3.668 1.00 0.00 H new ATOM 426 N SER A 31 32.005 6.500 2.353 1.00 0.00 N ATOM 427 CA SER A 31 30.611 7.015 2.519 1.00 0.00 C ATOM 428 C SER A 31 29.614 5.867 2.606 1.00 0.00 C ATOM 429 O SER A 31 29.827 4.820 2.024 1.00 0.00 O ATOM 430 CB SER A 31 30.260 7.877 1.299 1.00 0.00 C ATOM 431 OG SER A 31 31.500 8.055 0.629 1.00 0.00 O ATOM 0 H SER A 31 32.583 7.015 1.689 1.00 0.00 H new ATOM 0 HA SER A 31 30.558 7.597 3.439 1.00 0.00 H new ATOM 0 HB2 SER A 31 29.529 7.383 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 31 29.828 8.832 1.597 1.00 0.00 H new ATOM 0 HG SER A 31 32.151 8.450 1.246 1.00 0.00 H new ATOM 437 N CYS A 32 28.541 6.080 3.329 1.00 0.00 N ATOM 438 CA CYS A 32 27.529 4.998 3.457 1.00 0.00 C ATOM 439 C CYS A 32 26.340 5.228 2.542 1.00 0.00 C ATOM 440 O CYS A 32 26.140 6.309 2.025 1.00 0.00 O ATOM 441 CB CYS A 32 26.965 5.006 4.886 1.00 0.00 C ATOM 442 SG CYS A 32 27.495 6.314 6.009 1.00 0.00 S ATOM 0 H CYS A 32 28.328 6.944 3.827 1.00 0.00 H new ATOM 0 HA CYS A 32 28.026 4.062 3.202 1.00 0.00 H new ATOM 0 HB2 CYS A 32 25.878 5.050 4.814 1.00 0.00 H new ATOM 0 HB3 CYS A 32 27.215 4.051 5.347 1.00 0.00 H new ATOM 447 N HIS A 33 25.573 4.193 2.367 1.00 0.00 N ATOM 448 CA HIS A 33 24.379 4.295 1.505 1.00 0.00 C ATOM 449 C HIS A 33 23.248 4.727 2.388 1.00 0.00 C ATOM 450 O HIS A 33 22.273 4.028 2.563 1.00 0.00 O ATOM 451 CB HIS A 33 24.070 2.931 0.958 1.00 0.00 C ATOM 452 CG HIS A 33 24.001 1.982 2.117 1.00 0.00 C ATOM 453 ND1 HIS A 33 22.964 1.650 2.722 1.00 0.00 N ATOM 454 CD2 HIS A 33 25.017 1.399 2.773 1.00 0.00 C ATOM 455 CE1 HIS A 33 23.232 0.915 3.715 1.00 0.00 C ATOM 456 NE2 HIS A 33 24.536 0.691 3.827 1.00 0.00 N ATOM 0 H HIS A 33 25.727 3.277 2.789 1.00 0.00 H new ATOM 0 HA HIS A 33 24.533 4.995 0.684 1.00 0.00 H new ATOM 0 HB2 HIS A 33 23.125 2.941 0.415 1.00 0.00 H new ATOM 0 HB3 HIS A 33 24.840 2.618 0.252 1.00 0.00 H new ATOM 0 HD1 HIS A 33 22.022 1.934 2.452 1.00 0.00 H new ATOM 0 HD2 HIS A 33 26.060 1.481 2.503 1.00 0.00 H new ATOM 0 HE1 HIS A 33 22.490 0.517 4.391 1.00 0.00 H new ATOM 464 N SER A 34 23.445 5.886 2.906 1.00 0.00 N ATOM 465 CA SER A 34 22.486 6.541 3.818 1.00 0.00 C ATOM 466 C SER A 34 21.110 5.892 3.826 1.00 0.00 C ATOM 467 O SER A 34 20.149 6.385 3.265 1.00 0.00 O ATOM 468 CB SER A 34 22.385 8.012 3.387 1.00 0.00 C ATOM 469 OG SER A 34 23.287 8.114 2.294 1.00 0.00 O ATOM 0 H SER A 34 24.281 6.442 2.725 1.00 0.00 H new ATOM 0 HA SER A 34 22.853 6.441 4.840 1.00 0.00 H new ATOM 0 HB2 SER A 34 21.369 8.272 3.091 1.00 0.00 H new ATOM 0 HB3 SER A 34 22.663 8.685 4.198 1.00 0.00 H new ATOM 0 HG SER A 34 23.284 9.032 1.952 1.00 0.00 H new ATOM 475 N ALA A 35 21.075 4.765 4.473 1.00 0.00 N ATOM 476 CA ALA A 35 19.827 3.999 4.590 1.00 0.00 C ATOM 477 C ALA A 35 19.583 3.712 6.046 1.00 0.00 C ATOM 478 O ALA A 35 18.499 3.328 6.436 1.00 0.00 O ATOM 479 CB ALA A 35 19.970 2.675 3.844 1.00 0.00 C ATOM 0 H ALA A 35 21.881 4.341 4.932 1.00 0.00 H new ATOM 0 HA ALA A 35 18.999 4.568 4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.044 2.107 3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.178 2.871 2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 35 20.790 2.101 4.276 1.00 0.00 H new ATOM 485 N CYS A 36 20.612 3.911 6.839 1.00 0.00 N ATOM 486 CA CYS A 36 20.468 3.661 8.261 1.00 0.00 C ATOM 487 C CYS A 36 20.117 4.965 8.932 1.00 0.00 C ATOM 488 O CYS A 36 19.406 5.790 8.387 1.00 0.00 O ATOM 489 CB CYS A 36 21.820 3.165 8.850 1.00 0.00 C ATOM 490 SG CYS A 36 22.696 1.796 8.039 1.00 0.00 S ATOM 0 H CYS A 36 21.532 4.235 6.540 1.00 0.00 H new ATOM 0 HA CYS A 36 19.697 2.908 8.425 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.498 4.018 8.876 1.00 0.00 H new ATOM 0 HB3 CYS A 36 21.638 2.871 9.884 1.00 0.00 H new ATOM 495 N LYS A 37 20.621 5.109 10.090 1.00 0.00 N ATOM 496 CA LYS A 37 20.367 6.342 10.879 1.00 0.00 C ATOM 497 C LYS A 37 21.636 7.142 10.933 1.00 0.00 C ATOM 498 O LYS A 37 21.687 8.305 10.585 1.00 0.00 O ATOM 499 CB LYS A 37 19.943 5.952 12.305 1.00 0.00 C ATOM 500 CG LYS A 37 18.435 5.610 12.318 1.00 0.00 C ATOM 501 CD LYS A 37 17.642 6.750 12.971 1.00 0.00 C ATOM 502 CE LYS A 37 17.711 7.995 12.085 1.00 0.00 C ATOM 503 NZ LYS A 37 16.699 8.995 12.522 1.00 0.00 N ATOM 0 H LYS A 37 21.215 4.419 10.551 1.00 0.00 H new ATOM 0 HA LYS A 37 19.575 6.931 10.417 1.00 0.00 H new ATOM 0 HB2 LYS A 37 20.524 5.096 12.647 1.00 0.00 H new ATOM 0 HB3 LYS A 37 20.147 6.772 12.994 1.00 0.00 H new ATOM 0 HG2 LYS A 37 18.082 5.448 11.300 1.00 0.00 H new ATOM 0 HG3 LYS A 37 18.269 4.682 12.864 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.604 6.450 13.113 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.048 6.971 13.958 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.709 8.431 12.135 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.535 7.720 11.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.756 9.836 11.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.748 8.580 12.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.885 9.269 13.508 1.00 0.00 H new ATOM 517 N SER A 38 22.638 6.468 11.380 1.00 0.00 N ATOM 518 CA SER A 38 23.963 7.074 11.506 1.00 0.00 C ATOM 519 C SER A 38 25.023 5.998 11.342 1.00 0.00 C ATOM 520 O SER A 38 25.012 4.998 12.044 1.00 0.00 O ATOM 521 CB SER A 38 24.074 7.662 12.907 1.00 0.00 C ATOM 522 OG SER A 38 24.312 9.045 12.689 1.00 0.00 O ATOM 0 H SER A 38 22.588 5.492 11.671 1.00 0.00 H new ATOM 0 HA SER A 38 24.105 7.844 10.748 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.161 7.501 13.480 1.00 0.00 H new ATOM 0 HB3 SER A 38 24.887 7.202 13.468 1.00 0.00 H new ATOM 0 HG SER A 38 24.395 9.503 13.552 1.00 0.00 H new ATOM 528 N CYS A 39 25.892 6.188 10.396 1.00 0.00 N ATOM 529 CA CYS A 39 26.935 5.195 10.185 1.00 0.00 C ATOM 530 C CYS A 39 28.272 5.622 10.765 1.00 0.00 C ATOM 531 O CYS A 39 28.725 6.725 10.531 1.00 0.00 O ATOM 532 CB CYS A 39 27.149 5.055 8.687 1.00 0.00 C ATOM 533 SG CYS A 39 26.226 6.126 7.576 1.00 0.00 S ATOM 0 H CYS A 39 25.913 6.991 9.768 1.00 0.00 H new ATOM 0 HA CYS A 39 26.613 4.274 10.670 1.00 0.00 H new ATOM 0 HB2 CYS A 39 28.210 5.210 8.489 1.00 0.00 H new ATOM 0 HB3 CYS A 39 26.922 4.024 8.416 1.00 0.00 H new ATOM 538 N ILE A 40 28.887 4.744 11.512 1.00 0.00 N ATOM 539 CA ILE A 40 30.184 5.103 12.086 1.00 0.00 C ATOM 540 C ILE A 40 31.059 5.293 10.889 1.00 0.00 C ATOM 541 O ILE A 40 30.658 4.914 9.807 1.00 0.00 O ATOM 542 CB ILE A 40 30.662 3.915 12.955 1.00 0.00 C ATOM 543 CG1 ILE A 40 30.886 4.368 14.397 1.00 0.00 C ATOM 544 CG2 ILE A 40 31.977 3.290 12.392 1.00 0.00 C ATOM 545 CD1 ILE A 40 32.124 5.263 14.486 1.00 0.00 C ATOM 0 H ILE A 40 28.542 3.811 11.738 1.00 0.00 H new ATOM 0 HA ILE A 40 30.176 5.991 12.719 1.00 0.00 H new ATOM 0 HB ILE A 40 29.882 3.154 12.930 1.00 0.00 H new ATOM 0 HG12 ILE A 40 30.011 4.910 14.755 1.00 0.00 H new ATOM 0 HG13 ILE A 40 31.010 3.499 15.043 1.00 0.00 H new ATOM 0 HG21 ILE A 40 32.285 2.458 13.026 1.00 0.00 H new ATOM 0 HG22 ILE A 40 31.803 2.929 11.378 1.00 0.00 H new ATOM 0 HG23 ILE A 40 32.762 4.046 12.378 1.00 0.00 H new ATOM 0 HD11 ILE A 40 32.271 5.578 15.519 1.00 0.00 H new ATOM 0 HD12 ILE A 40 32.999 4.708 14.147 1.00 0.00 H new ATOM 0 HD13 ILE A 40 31.984 6.141 13.855 1.00 0.00 H new ATOM 557 N CYS A 41 32.204 5.844 11.009 1.00 0.00 N ATOM 558 CA CYS A 41 32.938 5.963 9.750 1.00 0.00 C ATOM 559 C CYS A 41 34.358 6.436 9.959 1.00 0.00 C ATOM 560 O CYS A 41 34.618 7.423 10.617 1.00 0.00 O ATOM 561 CB CYS A 41 32.162 6.955 8.916 1.00 0.00 C ATOM 562 SG CYS A 41 31.156 6.292 7.544 1.00 0.00 S ATOM 0 H CYS A 41 32.645 6.197 11.858 1.00 0.00 H new ATOM 0 HA CYS A 41 33.021 4.992 9.261 1.00 0.00 H new ATOM 0 HB2 CYS A 41 31.501 7.510 9.581 1.00 0.00 H new ATOM 0 HB3 CYS A 41 32.870 7.672 8.499 1.00 0.00 H new ATOM 567 N ALA A 42 35.244 5.696 9.374 1.00 0.00 N ATOM 568 CA ALA A 42 36.690 6.015 9.479 1.00 0.00 C ATOM 569 C ALA A 42 37.219 6.640 8.198 1.00 0.00 C ATOM 570 O ALA A 42 37.224 6.006 7.150 1.00 0.00 O ATOM 571 CB ALA A 42 37.454 4.707 9.741 1.00 0.00 C ATOM 0 H ALA A 42 35.027 4.869 8.817 1.00 0.00 H new ATOM 0 HA ALA A 42 36.831 6.730 10.290 1.00 0.00 H new ATOM 0 HB1 ALA A 42 38.520 4.918 9.822 1.00 0.00 H new ATOM 0 HB2 ALA A 42 37.101 4.260 10.670 1.00 0.00 H new ATOM 0 HB3 ALA A 42 37.283 4.014 8.917 1.00 0.00 H new ATOM 577 N LEU A 43 37.668 7.860 8.304 1.00 0.00 N ATOM 578 CA LEU A 43 38.205 8.549 7.108 1.00 0.00 C ATOM 579 C LEU A 43 39.667 8.175 6.899 1.00 0.00 C ATOM 580 O LEU A 43 40.555 8.939 7.224 1.00 0.00 O ATOM 581 CB LEU A 43 38.124 10.056 7.351 1.00 0.00 C ATOM 582 CG LEU A 43 36.653 10.476 7.482 1.00 0.00 C ATOM 583 CD1 LEU A 43 36.585 11.965 7.836 1.00 0.00 C ATOM 584 CD2 LEU A 43 35.926 10.240 6.152 1.00 0.00 C ATOM 0 H LEU A 43 37.684 8.404 9.166 1.00 0.00 H new ATOM 0 HA LEU A 43 37.629 8.258 6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 43 38.670 10.319 8.257 1.00 0.00 H new ATOM 0 HB3 LEU A 43 38.595 10.594 6.528 1.00 0.00 H new ATOM 0 HG LEU A 43 36.176 9.885 8.264 1.00 0.00 H new ATOM 0 HD11 LEU A 43 35.543 12.269 7.930 1.00 0.00 H new ATOM 0 HD12 LEU A 43 37.101 12.138 8.781 1.00 0.00 H new ATOM 0 HD13 LEU A 43 37.063 12.548 7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 43 34.882 10.539 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 43 36.401 10.830 5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 43 35.977 9.183 5.892 1.00 0.00 H new ATOM 596 N SER A 44 39.883 7.005 6.361 1.00 0.00 N ATOM 597 CA SER A 44 41.281 6.546 6.115 1.00 0.00 C ATOM 598 C SER A 44 41.469 6.072 4.678 1.00 0.00 C ATOM 599 O SER A 44 40.646 6.326 3.821 1.00 0.00 O ATOM 600 CB SER A 44 41.574 5.373 7.062 1.00 0.00 C ATOM 601 OG SER A 44 41.044 5.794 8.312 1.00 0.00 O ATOM 0 H SER A 44 39.154 6.348 6.082 1.00 0.00 H new ATOM 0 HA SER A 44 41.959 7.381 6.290 1.00 0.00 H new ATOM 0 HB2 SER A 44 41.099 4.454 6.717 1.00 0.00 H new ATOM 0 HB3 SER A 44 42.643 5.173 7.130 1.00 0.00 H new ATOM 0 HG SER A 44 41.189 5.093 8.982 1.00 0.00 H new ATOM 607 N TYR A 45 42.554 5.380 4.451 1.00 0.00 N ATOM 608 CA TYR A 45 42.838 4.871 3.088 1.00 0.00 C ATOM 609 C TYR A 45 43.510 3.475 3.151 1.00 0.00 C ATOM 610 O TYR A 45 44.680 3.392 3.468 1.00 0.00 O ATOM 611 CB TYR A 45 43.843 5.828 2.428 1.00 0.00 C ATOM 612 CG TYR A 45 43.270 7.242 2.399 1.00 0.00 C ATOM 613 CD1 TYR A 45 43.325 8.042 3.520 1.00 0.00 C ATOM 614 CD2 TYR A 45 42.706 7.744 1.245 1.00 0.00 C ATOM 615 CE1 TYR A 45 42.823 9.326 3.489 1.00 0.00 C ATOM 616 CE2 TYR A 45 42.204 9.028 1.213 1.00 0.00 C ATOM 617 CZ TYR A 45 42.258 9.830 2.335 1.00 0.00 C ATOM 618 OH TYR A 45 41.761 11.117 2.302 1.00 0.00 O ATOM 0 H TYR A 45 43.254 5.148 5.156 1.00 0.00 H new ATOM 0 HA TYR A 45 41.902 4.802 2.534 1.00 0.00 H new ATOM 0 HB2 TYR A 45 44.784 5.818 2.979 1.00 0.00 H new ATOM 0 HB3 TYR A 45 44.064 5.495 1.414 1.00 0.00 H new ATOM 0 HD1 TYR A 45 43.765 7.660 4.430 1.00 0.00 H new ATOM 0 HD2 TYR A 45 42.657 7.127 0.360 1.00 0.00 H new ATOM 0 HE1 TYR A 45 42.872 9.942 4.375 1.00 0.00 H new ATOM 0 HE2 TYR A 45 41.765 9.409 0.303 1.00 0.00 H new ATOM 0 HH TYR A 45 41.401 11.306 1.410 1.00 0.00 H new ATOM 628 N PRO A 46 42.785 2.387 2.850 1.00 0.00 N ATOM 629 CA PRO A 46 41.356 2.392 2.457 1.00 0.00 C ATOM 630 C PRO A 46 40.454 2.803 3.618 1.00 0.00 C ATOM 631 O PRO A 46 40.741 2.503 4.760 1.00 0.00 O ATOM 632 CB PRO A 46 41.051 0.921 2.097 1.00 0.00 C ATOM 633 CG PRO A 46 42.313 0.082 2.435 1.00 0.00 C ATOM 634 CD PRO A 46 43.404 1.056 2.892 1.00 0.00 C ATOM 0 HA PRO A 46 41.176 3.096 1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 46 40.190 0.560 2.659 1.00 0.00 H new ATOM 0 HB3 PRO A 46 40.803 0.829 1.040 1.00 0.00 H new ATOM 0 HG2 PRO A 46 42.093 -0.643 3.219 1.00 0.00 H new ATOM 0 HG3 PRO A 46 42.643 -0.482 1.563 1.00 0.00 H new ATOM 0 HD2 PRO A 46 43.749 0.815 3.898 1.00 0.00 H new ATOM 0 HD3 PRO A 46 44.274 1.007 2.237 1.00 0.00 H new ATOM 642 N ALA A 47 39.382 3.485 3.313 1.00 0.00 N ATOM 643 CA ALA A 47 38.469 3.907 4.393 1.00 0.00 C ATOM 644 C ALA A 47 37.587 2.748 4.805 1.00 0.00 C ATOM 645 O ALA A 47 37.494 1.756 4.108 1.00 0.00 O ATOM 646 CB ALA A 47 37.576 5.039 3.863 1.00 0.00 C ATOM 0 H ALA A 47 39.108 3.762 2.370 1.00 0.00 H new ATOM 0 HA ALA A 47 39.051 4.243 5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 47 36.894 5.363 4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 47 38.198 5.879 3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 47 37.001 4.680 3.010 1.00 0.00 H new ATOM 652 N GLN A 48 36.962 2.887 5.927 1.00 0.00 N ATOM 653 CA GLN A 48 36.080 1.807 6.404 1.00 0.00 C ATOM 654 C GLN A 48 34.931 2.468 7.070 1.00 0.00 C ATOM 655 O GLN A 48 35.140 3.354 7.876 1.00 0.00 O ATOM 656 CB GLN A 48 36.839 0.937 7.414 1.00 0.00 C ATOM 657 CG GLN A 48 38.039 0.290 6.718 1.00 0.00 C ATOM 658 CD GLN A 48 38.500 -0.927 7.524 1.00 0.00 C ATOM 659 OE1 GLN A 48 39.462 -0.865 8.265 1.00 0.00 O ATOM 660 NE2 GLN A 48 37.845 -2.051 7.410 1.00 0.00 N ATOM 0 H GLN A 48 37.024 3.703 6.535 1.00 0.00 H new ATOM 0 HA GLN A 48 35.747 1.169 5.586 1.00 0.00 H new ATOM 0 HB2 GLN A 48 37.175 1.544 8.255 1.00 0.00 H new ATOM 0 HB3 GLN A 48 36.180 0.169 7.818 1.00 0.00 H new ATOM 0 HG2 GLN A 48 37.767 -0.012 5.706 1.00 0.00 H new ATOM 0 HG3 GLN A 48 38.853 1.010 6.628 1.00 0.00 H new ATOM 0 HE21 GLN A 48 37.037 -2.110 6.790 1.00 0.00 H new ATOM 0 HE22 GLN A 48 38.141 -2.870 7.941 1.00 0.00 H new ATOM 669 N CYS A 49 33.737 2.062 6.749 1.00 0.00 N ATOM 670 CA CYS A 49 32.611 2.727 7.401 1.00 0.00 C ATOM 671 C CYS A 49 31.633 1.668 7.935 1.00 0.00 C ATOM 672 O CYS A 49 31.681 0.533 7.516 1.00 0.00 O ATOM 673 CB CYS A 49 32.017 3.611 6.289 1.00 0.00 C ATOM 674 SG CYS A 49 32.447 5.388 6.334 1.00 0.00 S ATOM 0 H CYS A 49 33.508 1.323 6.085 1.00 0.00 H new ATOM 0 HA CYS A 49 32.877 3.330 8.269 1.00 0.00 H new ATOM 0 HB2 CYS A 49 32.336 3.208 5.328 1.00 0.00 H new ATOM 0 HB3 CYS A 49 30.931 3.523 6.328 1.00 0.00 H new ATOM 679 N PHE A 50 30.797 2.037 8.889 1.00 0.00 N ATOM 680 CA PHE A 50 29.831 1.019 9.439 1.00 0.00 C ATOM 681 C PHE A 50 28.450 1.602 9.753 1.00 0.00 C ATOM 682 O PHE A 50 28.276 2.789 9.821 1.00 0.00 O ATOM 683 CB PHE A 50 30.440 0.550 10.776 1.00 0.00 C ATOM 684 CG PHE A 50 30.139 -0.923 11.064 1.00 0.00 C ATOM 685 CD1 PHE A 50 28.910 -1.309 11.575 1.00 0.00 C ATOM 686 CD2 PHE A 50 31.128 -1.877 10.910 1.00 0.00 C ATOM 687 CE1 PHE A 50 28.681 -2.618 11.928 1.00 0.00 C ATOM 688 CE2 PHE A 50 30.895 -3.188 11.269 1.00 0.00 C ATOM 689 CZ PHE A 50 29.672 -3.557 11.776 1.00 0.00 C ATOM 0 H PHE A 50 30.741 2.969 9.299 1.00 0.00 H new ATOM 0 HA PHE A 50 29.691 0.232 8.699 1.00 0.00 H new ATOM 0 HB2 PHE A 50 31.519 0.701 10.754 1.00 0.00 H new ATOM 0 HB3 PHE A 50 30.048 1.164 11.587 1.00 0.00 H new ATOM 0 HD1 PHE A 50 28.126 -0.576 11.697 1.00 0.00 H new ATOM 0 HD2 PHE A 50 32.089 -1.594 10.506 1.00 0.00 H new ATOM 0 HE1 PHE A 50 27.720 -2.909 12.326 1.00 0.00 H new ATOM 0 HE2 PHE A 50 31.675 -3.926 11.152 1.00 0.00 H new ATOM 0 HZ PHE A 50 29.490 -4.584 12.055 1.00 0.00 H new ATOM 699 N CYS A 51 27.495 0.718 9.920 1.00 0.00 N ATOM 700 CA CYS A 51 26.095 1.148 10.240 1.00 0.00 C ATOM 701 C CYS A 51 25.802 0.754 11.690 1.00 0.00 C ATOM 702 O CYS A 51 25.666 -0.419 11.982 1.00 0.00 O ATOM 703 CB CYS A 51 25.113 0.402 9.311 1.00 0.00 C ATOM 704 SG CYS A 51 23.333 0.648 9.590 1.00 0.00 S ATOM 0 H CYS A 51 27.626 -0.291 9.848 1.00 0.00 H new ATOM 0 HA CYS A 51 25.984 2.223 10.102 1.00 0.00 H new ATOM 0 HB2 CYS A 51 25.335 0.694 8.285 1.00 0.00 H new ATOM 0 HB3 CYS A 51 25.321 -0.665 9.391 1.00 0.00 H new ATOM 709 N VAL A 52 25.708 1.718 12.589 1.00 0.00 N ATOM 710 CA VAL A 52 25.427 1.318 14.002 1.00 0.00 C ATOM 711 C VAL A 52 23.944 1.100 14.232 1.00 0.00 C ATOM 712 O VAL A 52 23.530 0.766 15.325 1.00 0.00 O ATOM 713 CB VAL A 52 25.945 2.402 14.970 1.00 0.00 C ATOM 714 CG1 VAL A 52 27.441 2.190 15.199 1.00 0.00 C ATOM 715 CG2 VAL A 52 25.727 3.778 14.370 1.00 0.00 C ATOM 0 H VAL A 52 25.809 2.717 12.412 1.00 0.00 H new ATOM 0 HA VAL A 52 25.944 0.377 14.191 1.00 0.00 H new ATOM 0 HB VAL A 52 25.405 2.331 15.914 1.00 0.00 H new ATOM 0 HG11 VAL A 52 27.816 2.952 15.882 1.00 0.00 H new ATOM 0 HG12 VAL A 52 27.607 1.203 15.630 1.00 0.00 H new ATOM 0 HG13 VAL A 52 27.969 2.264 14.248 1.00 0.00 H new ATOM 0 HG21 VAL A 52 26.095 4.538 15.059 1.00 0.00 H new ATOM 0 HG22 VAL A 52 26.266 3.853 13.426 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.663 3.933 14.193 1.00 0.00 H new ATOM 725 N ASP A 53 23.166 1.295 13.202 1.00 0.00 N ATOM 726 CA ASP A 53 21.701 1.096 13.353 1.00 0.00 C ATOM 727 C ASP A 53 21.298 -0.299 12.879 1.00 0.00 C ATOM 728 O ASP A 53 22.085 -0.987 12.258 1.00 0.00 O ATOM 729 CB ASP A 53 20.976 2.135 12.500 1.00 0.00 C ATOM 730 CG ASP A 53 19.795 2.681 13.298 1.00 0.00 C ATOM 731 OD1 ASP A 53 20.067 3.431 14.221 1.00 0.00 O ATOM 732 OD2 ASP A 53 18.687 2.318 12.941 1.00 0.00 O ATOM 0 H ASP A 53 23.479 1.580 12.274 1.00 0.00 H new ATOM 0 HA ASP A 53 21.433 1.203 14.404 1.00 0.00 H new ATOM 0 HB2 ASP A 53 21.656 2.943 12.229 1.00 0.00 H new ATOM 0 HB3 ASP A 53 20.629 1.685 11.570 1.00 0.00 H new ATOM 737 N ILE A 54 20.079 -0.696 13.186 1.00 0.00 N ATOM 738 CA ILE A 54 19.615 -2.046 12.756 1.00 0.00 C ATOM 739 C ILE A 54 18.269 -1.992 12.059 1.00 0.00 C ATOM 740 O ILE A 54 17.620 -0.967 12.000 1.00 0.00 O ATOM 741 CB ILE A 54 19.445 -2.926 13.995 1.00 0.00 C ATOM 742 CG1 ILE A 54 19.663 -2.108 15.259 1.00 0.00 C ATOM 743 CG2 ILE A 54 20.486 -4.053 13.961 1.00 0.00 C ATOM 744 CD1 ILE A 54 19.391 -2.994 16.481 1.00 0.00 C ATOM 0 H ILE A 54 19.398 -0.146 13.710 1.00 0.00 H new ATOM 0 HA ILE A 54 20.359 -2.442 12.064 1.00 0.00 H new ATOM 0 HB ILE A 54 18.435 -3.336 13.997 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.684 -1.728 15.290 1.00 0.00 H new ATOM 0 HG13 ILE A 54 19.000 -1.243 15.266 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.369 -4.683 14.843 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.342 -4.654 13.063 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.488 -3.623 13.953 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.545 -2.415 17.392 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.362 -3.353 16.449 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.072 -3.845 16.472 1.00 0.00 H new ATOM 756 N THR A 55 17.887 -3.125 11.546 1.00 0.00 N ATOM 757 CA THR A 55 16.592 -3.237 10.834 1.00 0.00 C ATOM 758 C THR A 55 15.880 -4.510 11.294 1.00 0.00 C ATOM 759 O THR A 55 16.329 -5.154 12.225 1.00 0.00 O ATOM 760 CB THR A 55 16.873 -3.311 9.322 1.00 0.00 C ATOM 761 OG1 THR A 55 15.660 -3.717 8.724 1.00 0.00 O ATOM 762 CG2 THR A 55 17.860 -4.441 8.997 1.00 0.00 C ATOM 0 H THR A 55 18.427 -3.989 11.592 1.00 0.00 H new ATOM 0 HA THR A 55 15.960 -2.376 11.049 1.00 0.00 H new ATOM 0 HB THR A 55 17.265 -2.353 8.981 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.518 -3.212 7.896 1.00 0.00 H new ATOM 0 HG21 THR A 55 18.040 -4.469 7.922 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.801 -4.263 9.518 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.441 -5.394 9.320 1.00 0.00 H new ATOM 770 N ASP A 56 14.788 -4.853 10.648 1.00 0.00 N ATOM 771 CA ASP A 56 14.051 -6.087 11.055 1.00 0.00 C ATOM 772 C ASP A 56 13.799 -7.014 9.868 1.00 0.00 C ATOM 773 O ASP A 56 12.841 -7.763 9.866 1.00 0.00 O ATOM 774 CB ASP A 56 12.695 -5.663 11.640 1.00 0.00 C ATOM 775 CG ASP A 56 12.903 -4.489 12.598 1.00 0.00 C ATOM 776 OD1 ASP A 56 13.782 -4.620 13.433 1.00 0.00 O ATOM 777 OD2 ASP A 56 12.168 -3.526 12.443 1.00 0.00 O ATOM 0 H ASP A 56 14.382 -4.337 9.867 1.00 0.00 H new ATOM 0 HA ASP A 56 14.655 -6.627 11.784 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.014 -5.377 10.839 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.235 -6.500 12.166 1.00 0.00 H new ATOM 782 N PHE A 57 14.652 -6.952 8.877 1.00 0.00 N ATOM 783 CA PHE A 57 14.442 -7.843 7.700 1.00 0.00 C ATOM 784 C PHE A 57 15.735 -8.112 6.923 1.00 0.00 C ATOM 785 O PHE A 57 15.750 -8.937 6.032 1.00 0.00 O ATOM 786 CB PHE A 57 13.427 -7.178 6.757 1.00 0.00 C ATOM 787 CG PHE A 57 13.550 -5.658 6.860 1.00 0.00 C ATOM 788 CD1 PHE A 57 12.838 -4.961 7.818 1.00 0.00 C ATOM 789 CD2 PHE A 57 14.369 -4.961 5.989 1.00 0.00 C ATOM 790 CE1 PHE A 57 12.944 -3.589 7.904 1.00 0.00 C ATOM 791 CE2 PHE A 57 14.471 -3.589 6.077 1.00 0.00 C ATOM 792 CZ PHE A 57 13.758 -2.903 7.034 1.00 0.00 C ATOM 0 H PHE A 57 15.465 -6.338 8.832 1.00 0.00 H new ATOM 0 HA PHE A 57 14.079 -8.801 8.071 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.605 -7.499 5.731 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.415 -7.489 7.017 1.00 0.00 H new ATOM 0 HD1 PHE A 57 12.195 -5.494 8.503 1.00 0.00 H new ATOM 0 HD2 PHE A 57 14.931 -5.494 5.237 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.386 -3.052 8.657 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.112 -3.051 5.394 1.00 0.00 H new ATOM 0 HZ PHE A 57 13.838 -1.828 7.101 1.00 0.00 H new ATOM 802 N CYS A 58 16.794 -7.425 7.260 1.00 0.00 N ATOM 803 CA CYS A 58 18.061 -7.660 6.532 1.00 0.00 C ATOM 804 C CYS A 58 17.888 -7.439 5.042 1.00 0.00 C ATOM 805 O CYS A 58 17.301 -8.250 4.352 1.00 0.00 O ATOM 806 CB CYS A 58 18.511 -9.114 6.760 1.00 0.00 C ATOM 807 SG CYS A 58 20.159 -9.382 7.444 1.00 0.00 S ATOM 0 H CYS A 58 16.831 -6.722 7.998 1.00 0.00 H new ATOM 0 HA CYS A 58 18.805 -6.957 6.908 1.00 0.00 H new ATOM 0 HB2 CYS A 58 17.790 -9.588 7.426 1.00 0.00 H new ATOM 0 HB3 CYS A 58 18.455 -9.637 5.805 1.00 0.00 H new ATOM 812 N TYR A 59 18.387 -6.339 4.571 1.00 0.00 N ATOM 813 CA TYR A 59 18.257 -6.063 3.125 1.00 0.00 C ATOM 814 C TYR A 59 18.710 -7.281 2.329 1.00 0.00 C ATOM 815 O TYR A 59 19.161 -8.255 2.898 1.00 0.00 O ATOM 816 CB TYR A 59 19.150 -4.868 2.735 1.00 0.00 C ATOM 817 CG TYR A 59 19.174 -3.804 3.850 1.00 0.00 C ATOM 818 CD1 TYR A 59 18.067 -3.571 4.649 1.00 0.00 C ATOM 819 CD2 TYR A 59 20.293 -3.007 4.018 1.00 0.00 C ATOM 820 CE1 TYR A 59 18.083 -2.559 5.590 1.00 0.00 C ATOM 821 CE2 TYR A 59 20.304 -1.998 4.957 1.00 0.00 C ATOM 822 CZ TYR A 59 19.201 -1.766 5.749 1.00 0.00 C ATOM 823 OH TYR A 59 19.214 -0.752 6.687 1.00 0.00 O ATOM 0 H TYR A 59 18.873 -5.628 5.117 1.00 0.00 H new ATOM 0 HA TYR A 59 17.214 -5.835 2.905 1.00 0.00 H new ATOM 0 HB2 TYR A 59 20.164 -5.217 2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.782 -4.422 1.811 1.00 0.00 H new ATOM 0 HD1 TYR A 59 17.185 -4.184 4.536 1.00 0.00 H new ATOM 0 HD2 TYR A 59 21.167 -3.177 3.407 1.00 0.00 H new ATOM 0 HE1 TYR A 59 17.213 -2.387 6.206 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.185 -1.384 5.073 1.00 0.00 H new ATOM 0 HH TYR A 59 20.081 -0.296 6.664 1.00 0.00 H new ATOM 833 N GLU A 60 18.596 -7.208 1.033 1.00 0.00 N ATOM 834 CA GLU A 60 19.024 -8.365 0.208 1.00 0.00 C ATOM 835 C GLU A 60 20.488 -8.194 -0.249 1.00 0.00 C ATOM 836 O GLU A 60 20.972 -7.080 -0.367 1.00 0.00 O ATOM 837 CB GLU A 60 18.126 -8.414 -1.040 1.00 0.00 C ATOM 838 CG GLU A 60 16.844 -9.184 -0.712 1.00 0.00 C ATOM 839 CD GLU A 60 15.737 -8.752 -1.675 1.00 0.00 C ATOM 840 OE1 GLU A 60 16.043 -8.675 -2.854 1.00 0.00 O ATOM 841 OE2 GLU A 60 14.647 -8.521 -1.178 1.00 0.00 O ATOM 0 H GLU A 60 18.230 -6.408 0.517 1.00 0.00 H new ATOM 0 HA GLU A 60 18.942 -9.280 0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.883 -7.403 -1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.653 -8.897 -1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.018 -10.257 -0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.543 -8.991 0.318 1.00 0.00 H new ATOM 848 N PRO A 61 21.187 -9.303 -0.498 1.00 0.00 N ATOM 849 CA PRO A 61 22.577 -9.225 -0.938 1.00 0.00 C ATOM 850 C PRO A 61 22.665 -8.384 -2.200 1.00 0.00 C ATOM 851 O PRO A 61 21.769 -8.409 -3.022 1.00 0.00 O ATOM 852 CB PRO A 61 22.984 -10.681 -1.246 1.00 0.00 C ATOM 853 CG PRO A 61 21.754 -11.583 -0.937 1.00 0.00 C ATOM 854 CD PRO A 61 20.647 -10.672 -0.381 1.00 0.00 C ATOM 0 HA PRO A 61 23.225 -8.769 -0.189 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.283 -10.784 -2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 61 23.839 -10.977 -0.639 1.00 0.00 H new ATOM 0 HG2 PRO A 61 21.415 -12.093 -1.839 1.00 0.00 H new ATOM 0 HG3 PRO A 61 22.016 -12.355 -0.214 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.723 -10.782 -0.948 1.00 0.00 H new ATOM 0 HD3 PRO A 61 20.416 -10.918 0.655 1.00 0.00 H new ATOM 862 N CYS A 62 23.728 -7.653 -2.347 1.00 0.00 N ATOM 863 CA CYS A 62 23.847 -6.824 -3.558 1.00 0.00 C ATOM 864 C CYS A 62 23.731 -7.657 -4.807 1.00 0.00 C ATOM 865 O CYS A 62 24.228 -8.764 -4.886 1.00 0.00 O ATOM 866 CB CYS A 62 25.198 -6.113 -3.568 1.00 0.00 C ATOM 867 SG CYS A 62 25.183 -4.300 -3.610 1.00 0.00 S ATOM 0 H CYS A 62 24.506 -7.597 -1.689 1.00 0.00 H new ATOM 0 HA CYS A 62 23.035 -6.097 -3.543 1.00 0.00 H new ATOM 0 HB2 CYS A 62 25.750 -6.425 -2.682 1.00 0.00 H new ATOM 0 HB3 CYS A 62 25.759 -6.466 -4.434 1.00 0.00 H new