USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=15 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= -0.308 K(o=-0.25,f=-0.95) USER MOD Set 1.2: A 31 SER OG : rot 180:sc= 0.0534 USER MOD Set 2.1: A 11 GLN :FLIP amide:sc= 1.28 F(o=-3.6!,f=1.3) USER MOD Set 2.2: A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -152:sc= -0.122 (180deg=-0.758) USER MOD Single : A 17 SER OG : rot -142:sc= 0.335 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.393! F(o=-0.98,f=-0.39!) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.0974 F(o=-1,f=-0.097) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -6.09! C(o=-6.1!,f=-8.6!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0923 USER MOD Single : A 37 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.483) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.103 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 138:sc= -0.378! USER MOD Single : A 59 TYR OH : rot 180:sc= -0.199 USER MOD ----------------------------------------------------------------- ATOM 86 N PRO A 7 17.060 0.089 -1.632 1.00 0.00 N ATOM 87 CA PRO A 7 18.140 -0.037 -0.645 1.00 0.00 C ATOM 88 C PRO A 7 18.518 -1.502 -0.458 1.00 0.00 C ATOM 89 O PRO A 7 17.655 -2.329 -0.237 1.00 0.00 O ATOM 90 CB PRO A 7 17.540 0.475 0.672 1.00 0.00 C ATOM 91 CG PRO A 7 16.031 0.728 0.421 1.00 0.00 C ATOM 92 CD PRO A 7 15.799 0.615 -1.098 1.00 0.00 C ATOM 0 HA PRO A 7 19.029 0.511 -0.957 1.00 0.00 H new ATOM 0 HB2 PRO A 7 17.680 -0.256 1.468 1.00 0.00 H new ATOM 0 HB3 PRO A 7 18.036 1.392 0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 7 15.424 -0.000 0.959 1.00 0.00 H new ATOM 0 HG3 PRO A 7 15.740 1.714 0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 7 14.966 -0.051 -1.322 1.00 0.00 H new ATOM 0 HD3 PRO A 7 15.558 1.584 -1.535 1.00 0.00 H new ATOM 100 N CYS A 8 19.791 -1.804 -0.549 1.00 0.00 N ATOM 101 CA CYS A 8 20.210 -3.221 -0.373 1.00 0.00 C ATOM 102 C CYS A 8 21.444 -3.334 0.520 1.00 0.00 C ATOM 103 O CYS A 8 21.871 -2.365 1.116 1.00 0.00 O ATOM 104 CB CYS A 8 20.500 -3.838 -1.743 1.00 0.00 C ATOM 105 SG CYS A 8 21.277 -2.805 -3.010 1.00 0.00 S ATOM 0 H CYS A 8 20.543 -1.140 -0.734 1.00 0.00 H new ATOM 0 HA CYS A 8 19.397 -3.760 0.114 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.139 -4.707 -1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 8 19.557 -4.205 -2.147 1.00 0.00 H new ATOM 110 N CYS A 9 22.015 -4.513 0.562 1.00 0.00 N ATOM 111 CA CYS A 9 23.214 -4.722 1.410 1.00 0.00 C ATOM 112 C CYS A 9 23.940 -6.007 1.030 1.00 0.00 C ATOM 113 O CYS A 9 23.529 -6.695 0.130 1.00 0.00 O ATOM 114 CB CYS A 9 22.717 -4.866 2.841 1.00 0.00 C ATOM 115 SG CYS A 9 21.631 -3.567 3.473 1.00 0.00 S ATOM 0 H CYS A 9 21.699 -5.333 0.045 1.00 0.00 H new ATOM 0 HA CYS A 9 23.904 -3.887 1.285 1.00 0.00 H new ATOM 0 HB2 CYS A 9 22.189 -5.816 2.921 1.00 0.00 H new ATOM 0 HB3 CYS A 9 23.586 -4.928 3.496 1.00 0.00 H new ATOM 120 N ASP A 10 24.991 -6.326 1.752 1.00 0.00 N ATOM 121 CA ASP A 10 25.748 -7.574 1.429 1.00 0.00 C ATOM 122 C ASP A 10 25.986 -8.400 2.679 1.00 0.00 C ATOM 123 O ASP A 10 25.437 -9.473 2.831 1.00 0.00 O ATOM 124 CB ASP A 10 27.106 -7.181 0.829 1.00 0.00 C ATOM 125 CG ASP A 10 26.940 -6.941 -0.673 1.00 0.00 C ATOM 126 OD1 ASP A 10 26.778 -7.933 -1.365 1.00 0.00 O ATOM 127 OD2 ASP A 10 26.982 -5.780 -1.044 1.00 0.00 O ATOM 0 H ASP A 10 25.351 -5.784 2.538 1.00 0.00 H new ATOM 0 HA ASP A 10 25.167 -8.168 0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.485 -6.281 1.314 1.00 0.00 H new ATOM 0 HB3 ASP A 10 27.837 -7.970 1.005 1.00 0.00 H new ATOM 132 N GLN A 11 26.799 -7.890 3.550 1.00 0.00 N ATOM 133 CA GLN A 11 27.080 -8.638 4.797 1.00 0.00 C ATOM 134 C GLN A 11 25.877 -8.575 5.715 1.00 0.00 C ATOM 135 O GLN A 11 25.717 -7.637 6.472 1.00 0.00 O ATOM 136 CB GLN A 11 28.265 -7.989 5.510 1.00 0.00 C ATOM 137 CG GLN A 11 29.394 -7.716 4.508 1.00 0.00 C ATOM 138 CD GLN A 11 29.566 -6.206 4.348 1.00 0.00 C ATOM 139 OE1 GLN A 11 29.194 -5.639 3.233 1.00 0.00 O flip ATOM 140 NE2 GLN A 11 30.038 -5.528 5.237 1.00 0.00 N flip ATOM 0 H GLN A 11 27.278 -6.995 3.455 1.00 0.00 H new ATOM 0 HA GLN A 11 27.303 -9.676 4.550 1.00 0.00 H new ATOM 0 HB2 GLN A 11 27.951 -7.057 5.980 1.00 0.00 H new ATOM 0 HB3 GLN A 11 28.624 -8.642 6.306 1.00 0.00 H new ATOM 0 HG2 GLN A 11 30.324 -8.165 4.857 1.00 0.00 H new ATOM 0 HG3 GLN A 11 29.161 -8.172 3.546 1.00 0.00 H new ATOM 0 HE21 GLN A 11 30.331 -5.965 6.111 1.00 0.00 H new ATOM 0 HE22 GLN A 11 30.142 -4.521 5.110 1.00 0.00 H new ATOM 149 N CYS A 12 25.056 -9.575 5.632 1.00 0.00 N ATOM 150 CA CYS A 12 23.848 -9.606 6.489 1.00 0.00 C ATOM 151 C CYS A 12 24.043 -10.506 7.699 1.00 0.00 C ATOM 152 O CYS A 12 24.555 -11.602 7.591 1.00 0.00 O ATOM 153 CB CYS A 12 22.681 -10.147 5.661 1.00 0.00 C ATOM 154 SG CYS A 12 21.204 -9.111 5.558 1.00 0.00 S ATOM 0 H CYS A 12 25.169 -10.373 5.007 1.00 0.00 H new ATOM 0 HA CYS A 12 23.650 -8.594 6.843 1.00 0.00 H new ATOM 0 HB2 CYS A 12 23.039 -10.329 4.648 1.00 0.00 H new ATOM 0 HB3 CYS A 12 22.390 -11.113 6.075 1.00 0.00 H new ATOM 159 N ALA A 13 23.627 -10.018 8.831 1.00 0.00 N ATOM 160 CA ALA A 13 23.768 -10.817 10.076 1.00 0.00 C ATOM 161 C ALA A 13 22.560 -10.596 10.978 1.00 0.00 C ATOM 162 O ALA A 13 22.004 -9.513 11.006 1.00 0.00 O ATOM 163 CB ALA A 13 25.033 -10.344 10.807 1.00 0.00 C ATOM 0 H ALA A 13 23.196 -9.101 8.948 1.00 0.00 H new ATOM 0 HA ALA A 13 23.836 -11.877 9.830 1.00 0.00 H new ATOM 0 HB1 ALA A 13 25.158 -10.917 11.726 1.00 0.00 H new ATOM 0 HB2 ALA A 13 25.901 -10.493 10.165 1.00 0.00 H new ATOM 0 HB3 ALA A 13 24.939 -9.285 11.049 1.00 0.00 H new ATOM 169 N CYS A 14 22.171 -11.624 11.700 1.00 0.00 N ATOM 170 CA CYS A 14 20.994 -11.476 12.604 1.00 0.00 C ATOM 171 C CYS A 14 21.271 -11.992 13.997 1.00 0.00 C ATOM 172 O CYS A 14 22.005 -12.943 14.185 1.00 0.00 O ATOM 173 CB CYS A 14 19.814 -12.263 12.021 1.00 0.00 C ATOM 174 SG CYS A 14 18.299 -11.342 11.639 1.00 0.00 S ATOM 0 H CYS A 14 22.613 -12.543 11.700 1.00 0.00 H new ATOM 0 HA CYS A 14 20.768 -10.412 12.676 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.153 -12.748 11.105 1.00 0.00 H new ATOM 0 HB3 CYS A 14 19.558 -13.055 12.725 1.00 0.00 H new ATOM 179 N THR A 15 20.665 -11.336 14.951 1.00 0.00 N ATOM 180 CA THR A 15 20.845 -11.735 16.367 1.00 0.00 C ATOM 181 C THR A 15 19.545 -12.301 16.920 1.00 0.00 C ATOM 182 O THR A 15 18.470 -11.882 16.535 1.00 0.00 O ATOM 183 CB THR A 15 21.224 -10.489 17.173 1.00 0.00 C ATOM 184 OG1 THR A 15 20.361 -10.494 18.294 1.00 0.00 O ATOM 185 CG2 THR A 15 20.858 -9.210 16.409 1.00 0.00 C ATOM 0 H THR A 15 20.050 -10.536 14.803 1.00 0.00 H new ATOM 0 HA THR A 15 21.623 -12.495 16.437 1.00 0.00 H new ATOM 0 HB THR A 15 22.290 -10.505 17.399 1.00 0.00 H new ATOM 0 HG1 THR A 15 20.553 -9.716 18.858 1.00 0.00 H new ATOM 0 HG21 THR A 15 21.137 -8.339 17.002 1.00 0.00 H new ATOM 0 HG22 THR A 15 21.392 -9.188 15.459 1.00 0.00 H new ATOM 0 HG23 THR A 15 19.784 -9.193 16.222 1.00 0.00 H new ATOM 193 N LYS A 16 19.658 -13.243 17.812 1.00 0.00 N ATOM 194 CA LYS A 16 18.432 -13.841 18.394 1.00 0.00 C ATOM 195 C LYS A 16 17.942 -13.038 19.591 1.00 0.00 C ATOM 196 O LYS A 16 17.934 -13.522 20.705 1.00 0.00 O ATOM 197 CB LYS A 16 18.764 -15.264 18.858 1.00 0.00 C ATOM 198 CG LYS A 16 18.968 -16.156 17.633 1.00 0.00 C ATOM 199 CD LYS A 16 17.698 -16.972 17.393 1.00 0.00 C ATOM 200 CE LYS A 16 17.743 -17.566 15.984 1.00 0.00 C ATOM 201 NZ LYS A 16 17.703 -16.484 14.960 1.00 0.00 N ATOM 0 H LYS A 16 20.539 -13.621 18.160 1.00 0.00 H new ATOM 0 HA LYS A 16 17.648 -13.844 17.637 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.664 -15.258 19.473 1.00 0.00 H new ATOM 0 HB3 LYS A 16 17.957 -15.655 19.478 1.00 0.00 H new ATOM 0 HG2 LYS A 16 19.195 -15.547 16.758 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.818 -16.820 17.789 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.617 -17.767 18.134 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.818 -16.339 17.506 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.650 -18.158 15.861 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.900 -18.242 15.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.270 -16.848 14.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.140 -15.687 15.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.671 -16.162 14.758 1.00 0.00 H new ATOM 215 N SER A 17 17.543 -11.822 19.343 1.00 0.00 N ATOM 216 CA SER A 17 17.051 -10.981 20.459 1.00 0.00 C ATOM 217 C SER A 17 15.593 -11.318 20.779 1.00 0.00 C ATOM 218 O SER A 17 15.214 -12.473 20.779 1.00 0.00 O ATOM 219 CB SER A 17 17.162 -9.509 20.040 1.00 0.00 C ATOM 220 OG SER A 17 16.872 -8.785 21.226 1.00 0.00 O ATOM 0 H SER A 17 17.537 -11.381 18.423 1.00 0.00 H new ATOM 0 HA SER A 17 17.649 -11.168 21.351 1.00 0.00 H new ATOM 0 HB2 SER A 17 18.159 -9.276 19.665 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.458 -9.268 19.244 1.00 0.00 H new ATOM 0 HG SER A 17 16.347 -7.988 21.003 1.00 0.00 H new ATOM 226 N ASN A 18 14.797 -10.314 21.047 1.00 0.00 N ATOM 227 CA ASN A 18 13.372 -10.599 21.366 1.00 0.00 C ATOM 228 C ASN A 18 12.477 -9.348 21.198 1.00 0.00 C ATOM 229 O ASN A 18 12.308 -8.599 22.139 1.00 0.00 O ATOM 230 CB ASN A 18 13.313 -11.022 22.843 1.00 0.00 C ATOM 231 CG ASN A 18 11.859 -11.296 23.236 1.00 0.00 C ATOM 232 OD1 ASN A 18 11.468 -12.531 23.405 1.00 0.00 O flip ATOM 233 ND2 ASN A 18 11.065 -10.390 23.396 1.00 0.00 N flip ATOM 0 H ASN A 18 15.067 -9.330 21.058 1.00 0.00 H new ATOM 0 HA ASN A 18 13.009 -11.371 20.687 1.00 0.00 H new ATOM 0 HB2 ASN A 18 13.918 -11.914 23.002 1.00 0.00 H new ATOM 0 HB3 ASN A 18 13.730 -10.237 23.474 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.362 -9.423 23.266 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.102 -10.597 23.660 1.00 0.00 H new ATOM 240 N PRO A 19 11.905 -9.123 20.005 1.00 0.00 N ATOM 241 CA PRO A 19 12.071 -9.977 18.802 1.00 0.00 C ATOM 242 C PRO A 19 13.501 -9.891 18.251 1.00 0.00 C ATOM 243 O PRO A 19 14.249 -9.015 18.627 1.00 0.00 O ATOM 244 CB PRO A 19 11.104 -9.368 17.762 1.00 0.00 C ATOM 245 CG PRO A 19 10.473 -8.097 18.389 1.00 0.00 C ATOM 246 CD PRO A 19 11.020 -7.966 19.817 1.00 0.00 C ATOM 0 HA PRO A 19 11.873 -11.025 19.029 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.638 -9.117 16.845 1.00 0.00 H new ATOM 0 HB3 PRO A 19 10.329 -10.087 17.494 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.723 -7.214 17.800 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.386 -8.175 18.401 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.565 -7.030 19.945 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.212 -7.967 20.549 1.00 0.00 H new ATOM 254 N PRO A 20 13.847 -10.794 17.345 1.00 0.00 N ATOM 255 CA PRO A 20 15.186 -10.807 16.749 1.00 0.00 C ATOM 256 C PRO A 20 15.506 -9.475 16.075 1.00 0.00 C ATOM 257 O PRO A 20 14.679 -8.587 16.019 1.00 0.00 O ATOM 258 CB PRO A 20 15.138 -11.925 15.688 1.00 0.00 C ATOM 259 CG PRO A 20 13.713 -12.548 15.730 1.00 0.00 C ATOM 260 CD PRO A 20 12.938 -11.846 16.856 1.00 0.00 C ATOM 0 HA PRO A 20 15.954 -10.970 17.505 1.00 0.00 H new ATOM 0 HB2 PRO A 20 15.352 -11.523 14.698 1.00 0.00 H new ATOM 0 HB3 PRO A 20 15.894 -12.683 15.895 1.00 0.00 H new ATOM 0 HG2 PRO A 20 13.207 -12.414 14.774 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.768 -13.621 15.913 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.004 -11.421 16.487 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.678 -12.544 17.651 1.00 0.00 H new ATOM 268 N GLN A 21 16.703 -9.366 15.571 1.00 0.00 N ATOM 269 CA GLN A 21 17.108 -8.114 14.898 1.00 0.00 C ATOM 270 C GLN A 21 18.021 -8.446 13.729 1.00 0.00 C ATOM 271 O GLN A 21 18.514 -9.551 13.638 1.00 0.00 O ATOM 272 CB GLN A 21 17.881 -7.270 15.911 1.00 0.00 C ATOM 273 CG GLN A 21 17.127 -5.965 16.167 1.00 0.00 C ATOM 274 CD GLN A 21 17.774 -5.232 17.345 1.00 0.00 C ATOM 275 OE1 GLN A 21 19.004 -5.524 17.675 1.00 0.00 O flip ATOM 276 NE2 GLN A 21 17.168 -4.388 17.974 1.00 0.00 N flip ATOM 0 H GLN A 21 17.416 -10.095 15.599 1.00 0.00 H new ATOM 0 HA GLN A 21 16.234 -7.575 14.532 1.00 0.00 H new ATOM 0 HB2 GLN A 21 18.002 -7.822 16.843 1.00 0.00 H new ATOM 0 HB3 GLN A 21 18.882 -7.057 15.535 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.150 -5.337 15.276 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.079 -6.173 16.384 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.208 -4.155 17.721 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.620 -3.912 18.755 1.00 0.00 H new ATOM 285 N CYS A 22 18.250 -7.503 12.852 1.00 0.00 N ATOM 286 CA CYS A 22 19.141 -7.825 11.711 1.00 0.00 C ATOM 287 C CYS A 22 19.834 -6.614 11.130 1.00 0.00 C ATOM 288 O CYS A 22 19.210 -5.702 10.629 1.00 0.00 O ATOM 289 CB CYS A 22 18.314 -8.489 10.610 1.00 0.00 C ATOM 290 SG CYS A 22 18.806 -10.153 10.087 1.00 0.00 S ATOM 0 H CYS A 22 17.871 -6.556 12.877 1.00 0.00 H new ATOM 0 HA CYS A 22 19.917 -8.489 12.092 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.278 -8.534 10.947 1.00 0.00 H new ATOM 0 HB3 CYS A 22 18.336 -7.840 9.734 1.00 0.00 H new ATOM 295 N ARG A 23 21.128 -6.646 11.212 1.00 0.00 N ATOM 296 CA ARG A 23 21.939 -5.554 10.691 1.00 0.00 C ATOM 297 C ARG A 23 22.477 -5.947 9.322 1.00 0.00 C ATOM 298 O ARG A 23 22.734 -7.109 9.073 1.00 0.00 O ATOM 299 CB ARG A 23 23.104 -5.356 11.669 1.00 0.00 C ATOM 300 CG ARG A 23 23.933 -4.174 11.236 1.00 0.00 C ATOM 301 CD ARG A 23 25.161 -4.071 12.143 1.00 0.00 C ATOM 302 NE ARG A 23 24.719 -4.130 13.566 1.00 0.00 N ATOM 303 CZ ARG A 23 25.608 -4.043 14.516 1.00 0.00 C ATOM 304 NH1 ARG A 23 26.030 -2.862 14.879 1.00 0.00 N ATOM 305 NH2 ARG A 23 26.043 -5.140 15.074 1.00 0.00 N ATOM 0 H ARG A 23 21.659 -7.409 11.632 1.00 0.00 H new ATOM 0 HA ARG A 23 21.359 -4.637 10.591 1.00 0.00 H new ATOM 0 HB2 ARG A 23 22.722 -5.195 12.677 1.00 0.00 H new ATOM 0 HB3 ARG A 23 23.721 -6.254 11.701 1.00 0.00 H new ATOM 0 HG2 ARG A 23 24.241 -4.290 10.197 1.00 0.00 H new ATOM 0 HG3 ARG A 23 23.344 -3.259 11.294 1.00 0.00 H new ATOM 0 HD2 ARG A 23 25.855 -4.884 11.930 1.00 0.00 H new ATOM 0 HD3 ARG A 23 25.693 -3.139 11.952 1.00 0.00 H new ATOM 0 HE ARG A 23 23.731 -4.237 13.794 1.00 0.00 H new ATOM 0 HH11 ARG A 23 25.665 -2.027 14.421 1.00 0.00 H new ATOM 0 HH12 ARG A 23 26.725 -2.774 15.620 1.00 0.00 H new ATOM 0 HH21 ARG A 23 25.688 -6.045 14.765 1.00 0.00 H new ATOM 0 HH22 ARG A 23 26.738 -5.092 15.819 1.00 0.00 H new ATOM 319 N CYS A 24 22.639 -4.975 8.466 1.00 0.00 N ATOM 320 CA CYS A 24 23.149 -5.260 7.118 1.00 0.00 C ATOM 321 C CYS A 24 24.402 -4.474 6.785 1.00 0.00 C ATOM 322 O CYS A 24 24.686 -3.460 7.392 1.00 0.00 O ATOM 323 CB CYS A 24 22.059 -4.816 6.185 1.00 0.00 C ATOM 324 SG CYS A 24 22.292 -3.232 5.343 1.00 0.00 S ATOM 0 H CYS A 24 22.435 -3.993 8.655 1.00 0.00 H new ATOM 0 HA CYS A 24 23.407 -6.316 7.038 1.00 0.00 H new ATOM 0 HB2 CYS A 24 21.928 -5.587 5.426 1.00 0.00 H new ATOM 0 HB3 CYS A 24 21.129 -4.765 6.751 1.00 0.00 H new ATOM 329 N SER A 25 25.126 -4.965 5.802 1.00 0.00 N ATOM 330 CA SER A 25 26.375 -4.275 5.390 1.00 0.00 C ATOM 331 C SER A 25 27.128 -3.806 6.609 1.00 0.00 C ATOM 332 O SER A 25 27.680 -2.724 6.627 1.00 0.00 O ATOM 333 CB SER A 25 26.003 -3.056 4.536 1.00 0.00 C ATOM 334 OG SER A 25 27.071 -2.949 3.607 1.00 0.00 O ATOM 0 H SER A 25 24.900 -5.809 5.276 1.00 0.00 H new ATOM 0 HA SER A 25 27.002 -4.963 4.822 1.00 0.00 H new ATOM 0 HB2 SER A 25 25.048 -3.199 4.031 1.00 0.00 H new ATOM 0 HB3 SER A 25 25.911 -2.156 5.144 1.00 0.00 H new ATOM 0 HG SER A 25 26.912 -2.186 3.013 1.00 0.00 H new ATOM 340 N ASP A 26 27.111 -4.640 7.611 1.00 0.00 N ATOM 341 CA ASP A 26 27.811 -4.313 8.883 1.00 0.00 C ATOM 342 C ASP A 26 29.041 -3.440 8.642 1.00 0.00 C ATOM 343 O ASP A 26 29.095 -2.317 9.102 1.00 0.00 O ATOM 344 CB ASP A 26 28.241 -5.629 9.533 1.00 0.00 C ATOM 345 CG ASP A 26 27.274 -6.738 9.115 1.00 0.00 C ATOM 346 OD1 ASP A 26 26.206 -6.775 9.705 1.00 0.00 O ATOM 347 OD2 ASP A 26 27.657 -7.487 8.235 1.00 0.00 O ATOM 0 H ASP A 26 26.637 -5.543 7.602 1.00 0.00 H new ATOM 0 HA ASP A 26 27.134 -3.754 9.529 1.00 0.00 H new ATOM 0 HB2 ASP A 26 29.257 -5.883 9.230 1.00 0.00 H new ATOM 0 HB3 ASP A 26 28.248 -5.527 10.618 1.00 0.00 H new ATOM 352 N MET A 27 30.005 -3.967 7.921 1.00 0.00 N ATOM 353 CA MET A 27 31.230 -3.170 7.648 1.00 0.00 C ATOM 354 C MET A 27 31.229 -2.687 6.206 1.00 0.00 C ATOM 355 O MET A 27 30.545 -3.232 5.366 1.00 0.00 O ATOM 356 CB MET A 27 32.470 -4.052 7.850 1.00 0.00 C ATOM 357 CG MET A 27 32.122 -5.288 8.688 1.00 0.00 C ATOM 358 SD MET A 27 31.380 -6.696 7.820 1.00 0.00 S ATOM 359 CE MET A 27 32.327 -7.996 8.651 1.00 0.00 C ATOM 0 H MET A 27 29.991 -4.904 7.517 1.00 0.00 H new ATOM 0 HA MET A 27 31.248 -2.318 8.328 1.00 0.00 H new ATOM 0 HB2 MET A 27 32.865 -4.361 6.882 1.00 0.00 H new ATOM 0 HB3 MET A 27 33.254 -3.479 8.345 1.00 0.00 H new ATOM 0 HG2 MET A 27 33.034 -5.634 9.175 1.00 0.00 H new ATOM 0 HG3 MET A 27 31.437 -4.979 9.477 1.00 0.00 H new ATOM 0 HE1 MET A 27 32.026 -8.969 8.263 1.00 0.00 H new ATOM 0 HE2 MET A 27 33.391 -7.845 8.468 1.00 0.00 H new ATOM 0 HE3 MET A 27 32.135 -7.957 9.723 1.00 0.00 H new ATOM 369 N ARG A 28 31.992 -1.672 5.946 1.00 0.00 N ATOM 370 CA ARG A 28 32.047 -1.145 4.571 1.00 0.00 C ATOM 371 C ARG A 28 33.317 -0.309 4.390 1.00 0.00 C ATOM 372 O ARG A 28 34.094 -0.158 5.312 1.00 0.00 O ATOM 373 CB ARG A 28 30.741 -0.325 4.326 1.00 0.00 C ATOM 374 CG ARG A 28 31.019 1.146 3.976 1.00 0.00 C ATOM 375 CD ARG A 28 29.694 1.909 4.029 1.00 0.00 C ATOM 376 NE ARG A 28 28.694 1.199 3.179 1.00 0.00 N ATOM 377 CZ ARG A 28 28.921 1.062 1.900 1.00 0.00 C ATOM 378 NH1 ARG A 28 29.799 1.839 1.328 1.00 0.00 N ATOM 379 NH2 ARG A 28 28.262 0.150 1.236 1.00 0.00 N ATOM 0 H ARG A 28 32.577 -1.188 6.626 1.00 0.00 H new ATOM 0 HA ARG A 28 32.097 -1.945 3.833 1.00 0.00 H new ATOM 0 HB2 ARG A 28 30.174 -0.786 3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 28 30.116 -0.370 5.218 1.00 0.00 H new ATOM 0 HG2 ARG A 28 31.733 1.575 4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 28 31.463 1.223 2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 28 29.337 1.974 5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 28 29.833 2.930 3.675 1.00 0.00 H new ATOM 0 HE ARG A 28 27.841 0.824 3.593 1.00 0.00 H new ATOM 0 HH11 ARG A 28 30.296 2.539 1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 28 29.989 1.746 0.330 1.00 0.00 H new ATOM 0 HH21 ARG A 28 27.583 -0.440 1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 28 28.426 0.029 0.237 1.00 0.00 H new ATOM 393 N LEU A 29 33.505 0.215 3.221 1.00 0.00 N ATOM 394 CA LEU A 29 34.717 1.030 2.976 1.00 0.00 C ATOM 395 C LEU A 29 34.612 2.467 3.567 1.00 0.00 C ATOM 396 O LEU A 29 34.488 2.632 4.764 1.00 0.00 O ATOM 397 CB LEU A 29 34.942 1.049 1.428 1.00 0.00 C ATOM 398 CG LEU A 29 36.453 1.164 1.065 1.00 0.00 C ATOM 399 CD1 LEU A 29 37.041 2.481 1.585 1.00 0.00 C ATOM 400 CD2 LEU A 29 37.230 -0.019 1.672 1.00 0.00 C ATOM 0 H LEU A 29 32.875 0.116 2.425 1.00 0.00 H new ATOM 0 HA LEU A 29 35.571 0.587 3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 29 34.531 0.140 0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 29 34.398 1.887 0.992 1.00 0.00 H new ATOM 0 HG LEU A 29 36.545 1.145 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 29 38.097 2.538 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 29 36.508 3.320 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 29 36.937 2.523 2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 29 38.285 0.068 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 29 37.119 -0.009 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 29 36.836 -0.955 1.276 1.00 0.00 H new ATOM 412 N ASN A 30 34.667 3.461 2.720 1.00 0.00 N ATOM 413 CA ASN A 30 34.583 4.873 3.196 1.00 0.00 C ATOM 414 C ASN A 30 33.168 5.374 3.515 1.00 0.00 C ATOM 415 O ASN A 30 32.814 5.488 4.661 1.00 0.00 O ATOM 416 CB ASN A 30 35.165 5.759 2.087 1.00 0.00 C ATOM 417 CG ASN A 30 34.975 7.230 2.456 1.00 0.00 C ATOM 418 OD1 ASN A 30 34.976 7.596 3.614 1.00 0.00 O ATOM 419 ND2 ASN A 30 34.808 8.103 1.501 1.00 0.00 N ATOM 0 H ASN A 30 34.767 3.354 1.711 1.00 0.00 H new ATOM 0 HA ASN A 30 35.132 4.920 4.137 1.00 0.00 H new ATOM 0 HB2 ASN A 30 36.224 5.541 1.951 1.00 0.00 H new ATOM 0 HB3 ASN A 30 34.672 5.544 1.139 1.00 0.00 H new ATOM 0 HD21 ASN A 30 34.679 9.089 1.728 1.00 0.00 H new ATOM 0 HD22 ASN A 30 34.807 7.800 0.527 1.00 0.00 H new ATOM 426 N SER A 31 32.389 5.680 2.498 1.00 0.00 N ATOM 427 CA SER A 31 30.998 6.184 2.766 1.00 0.00 C ATOM 428 C SER A 31 29.897 5.187 2.405 1.00 0.00 C ATOM 429 O SER A 31 30.061 4.336 1.553 1.00 0.00 O ATOM 430 CB SER A 31 30.791 7.448 1.919 1.00 0.00 C ATOM 431 OG SER A 31 31.640 7.254 0.798 1.00 0.00 O ATOM 0 H SER A 31 32.649 5.605 1.514 1.00 0.00 H new ATOM 0 HA SER A 31 30.920 6.366 3.838 1.00 0.00 H new ATOM 0 HB2 SER A 31 29.750 7.559 1.616 1.00 0.00 H new ATOM 0 HB3 SER A 31 31.060 8.348 2.472 1.00 0.00 H new ATOM 0 HG SER A 31 31.568 8.024 0.196 1.00 0.00 H new ATOM 437 N CYS A 32 28.783 5.332 3.086 1.00 0.00 N ATOM 438 CA CYS A 32 27.619 4.438 2.845 1.00 0.00 C ATOM 439 C CYS A 32 26.598 5.165 1.959 1.00 0.00 C ATOM 440 O CYS A 32 26.807 6.316 1.622 1.00 0.00 O ATOM 441 CB CYS A 32 26.992 4.117 4.218 1.00 0.00 C ATOM 442 SG CYS A 32 28.021 4.457 5.678 1.00 0.00 S ATOM 0 H CYS A 32 28.636 6.041 3.804 1.00 0.00 H new ATOM 0 HA CYS A 32 27.925 3.520 2.343 1.00 0.00 H new ATOM 0 HB2 CYS A 32 26.067 4.686 4.312 1.00 0.00 H new ATOM 0 HB3 CYS A 32 26.720 3.062 4.231 1.00 0.00 H new ATOM 447 N HIS A 33 25.509 4.499 1.598 1.00 0.00 N ATOM 448 CA HIS A 33 24.494 5.185 0.729 1.00 0.00 C ATOM 449 C HIS A 33 23.223 5.582 1.497 1.00 0.00 C ATOM 450 O HIS A 33 23.299 6.295 2.479 1.00 0.00 O ATOM 451 CB HIS A 33 24.128 4.268 -0.455 1.00 0.00 C ATOM 452 CG HIS A 33 23.531 2.954 0.038 1.00 0.00 C ATOM 453 ND1 HIS A 33 23.568 2.536 1.215 1.00 0.00 N ATOM 454 CD2 HIS A 33 22.853 1.983 -0.676 1.00 0.00 C ATOM 455 CE1 HIS A 33 22.988 1.408 1.318 1.00 0.00 C ATOM 456 NE2 HIS A 33 22.502 0.980 0.159 1.00 0.00 N ATOM 0 H HIS A 33 25.289 3.539 1.862 1.00 0.00 H new ATOM 0 HA HIS A 33 24.946 6.109 0.368 1.00 0.00 H new ATOM 0 HB2 HIS A 33 23.415 4.775 -1.105 1.00 0.00 H new ATOM 0 HB3 HIS A 33 25.017 4.067 -1.052 1.00 0.00 H new ATOM 0 HD2 HIS A 33 22.638 2.020 -1.734 1.00 0.00 H new ATOM 0 HE1 HIS A 33 22.901 0.860 2.245 1.00 0.00 H new ATOM 0 HE2 HIS A 33 21.996 0.119 -0.047 1.00 0.00 H new ATOM 464 N SER A 34 22.079 5.112 1.046 1.00 0.00 N ATOM 465 CA SER A 34 20.807 5.476 1.755 1.00 0.00 C ATOM 466 C SER A 34 20.333 4.436 2.765 1.00 0.00 C ATOM 467 O SER A 34 19.664 4.773 3.720 1.00 0.00 O ATOM 468 CB SER A 34 19.713 5.659 0.699 1.00 0.00 C ATOM 469 OG SER A 34 20.330 5.245 -0.511 1.00 0.00 O ATOM 0 H SER A 34 21.972 4.504 0.234 1.00 0.00 H new ATOM 0 HA SER A 34 21.008 6.386 2.320 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.834 5.055 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.381 6.696 0.643 1.00 0.00 H new ATOM 0 HG SER A 34 19.691 5.329 -1.249 1.00 0.00 H new ATOM 475 N ALA A 35 20.666 3.211 2.554 1.00 0.00 N ATOM 476 CA ALA A 35 20.209 2.183 3.528 1.00 0.00 C ATOM 477 C ALA A 35 21.105 2.196 4.762 1.00 0.00 C ATOM 478 O ALA A 35 21.378 1.177 5.364 1.00 0.00 O ATOM 479 CB ALA A 35 20.251 0.798 2.860 1.00 0.00 C ATOM 0 H ALA A 35 21.223 2.871 1.770 1.00 0.00 H new ATOM 0 HA ALA A 35 19.188 2.406 3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.917 0.041 3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.595 0.794 1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 35 21.271 0.576 2.546 1.00 0.00 H new ATOM 485 N CYS A 36 21.534 3.374 5.116 1.00 0.00 N ATOM 486 CA CYS A 36 22.411 3.515 6.296 1.00 0.00 C ATOM 487 C CYS A 36 22.204 4.883 6.937 1.00 0.00 C ATOM 488 O CYS A 36 22.889 5.835 6.618 1.00 0.00 O ATOM 489 CB CYS A 36 23.867 3.393 5.827 1.00 0.00 C ATOM 490 SG CYS A 36 24.672 1.781 6.011 1.00 0.00 S ATOM 0 H CYS A 36 21.311 4.245 4.634 1.00 0.00 H new ATOM 0 HA CYS A 36 22.176 2.742 7.028 1.00 0.00 H new ATOM 0 HB2 CYS A 36 23.905 3.670 4.773 1.00 0.00 H new ATOM 0 HB3 CYS A 36 24.459 4.129 6.372 1.00 0.00 H new ATOM 495 N LYS A 37 21.260 4.957 7.829 1.00 0.00 N ATOM 496 CA LYS A 37 20.993 6.251 8.498 1.00 0.00 C ATOM 497 C LYS A 37 22.038 6.555 9.549 1.00 0.00 C ATOM 498 O LYS A 37 22.652 7.603 9.539 1.00 0.00 O ATOM 499 CB LYS A 37 19.621 6.162 9.177 1.00 0.00 C ATOM 500 CG LYS A 37 18.632 7.050 8.423 1.00 0.00 C ATOM 501 CD LYS A 37 17.233 6.847 9.002 1.00 0.00 C ATOM 502 CE LYS A 37 16.451 8.152 8.881 1.00 0.00 C ATOM 503 NZ LYS A 37 16.555 8.692 7.496 1.00 0.00 N ATOM 0 H LYS A 37 20.666 4.181 8.121 1.00 0.00 H new ATOM 0 HA LYS A 37 21.019 7.046 7.752 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.271 5.130 9.183 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.695 6.480 10.217 1.00 0.00 H new ATOM 0 HG2 LYS A 37 18.926 8.096 8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 37 18.639 6.803 7.361 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.717 6.048 8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.298 6.543 10.047 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.405 7.981 9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.836 8.882 9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.750 9.323 7.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.443 9.225 7.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.545 7.906 6.815 1.00 0.00 H new ATOM 517 N SER A 38 22.218 5.633 10.429 1.00 0.00 N ATOM 518 CA SER A 38 23.217 5.828 11.505 1.00 0.00 C ATOM 519 C SER A 38 24.557 5.179 11.150 1.00 0.00 C ATOM 520 O SER A 38 24.950 4.198 11.738 1.00 0.00 O ATOM 521 CB SER A 38 22.668 5.174 12.780 1.00 0.00 C ATOM 522 OG SER A 38 21.593 6.020 13.168 1.00 0.00 O ATOM 0 H SER A 38 21.717 4.745 10.455 1.00 0.00 H new ATOM 0 HA SER A 38 23.387 6.896 11.644 1.00 0.00 H new ATOM 0 HB2 SER A 38 22.326 4.156 12.591 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.430 5.115 13.558 1.00 0.00 H new ATOM 0 HG SER A 38 21.179 5.670 13.984 1.00 0.00 H new ATOM 528 N CYS A 39 25.228 5.740 10.181 1.00 0.00 N ATOM 529 CA CYS A 39 26.542 5.174 9.772 1.00 0.00 C ATOM 530 C CYS A 39 27.695 5.911 10.437 1.00 0.00 C ATOM 531 O CYS A 39 27.724 7.124 10.482 1.00 0.00 O ATOM 532 CB CYS A 39 26.694 5.330 8.254 1.00 0.00 C ATOM 533 SG CYS A 39 26.929 3.830 7.261 1.00 0.00 S ATOM 0 H CYS A 39 24.924 6.561 9.658 1.00 0.00 H new ATOM 0 HA CYS A 39 26.570 4.127 10.073 1.00 0.00 H new ATOM 0 HB2 CYS A 39 25.807 5.842 7.881 1.00 0.00 H new ATOM 0 HB3 CYS A 39 27.543 5.988 8.070 1.00 0.00 H new ATOM 538 N ILE A 40 28.621 5.150 10.937 1.00 0.00 N ATOM 539 CA ILE A 40 29.810 5.752 11.615 1.00 0.00 C ATOM 540 C ILE A 40 31.025 5.550 10.723 1.00 0.00 C ATOM 541 O ILE A 40 30.981 4.735 9.822 1.00 0.00 O ATOM 542 CB ILE A 40 30.052 5.017 12.947 1.00 0.00 C ATOM 543 CG1 ILE A 40 28.779 5.008 13.792 1.00 0.00 C ATOM 544 CG2 ILE A 40 31.151 5.759 13.729 1.00 0.00 C ATOM 545 CD1 ILE A 40 28.525 3.582 14.277 1.00 0.00 C ATOM 0 H ILE A 40 28.611 4.130 10.908 1.00 0.00 H new ATOM 0 HA ILE A 40 29.641 6.813 11.799 1.00 0.00 H new ATOM 0 HB ILE A 40 30.350 3.990 12.735 1.00 0.00 H new ATOM 0 HG12 ILE A 40 28.884 5.683 14.641 1.00 0.00 H new ATOM 0 HG13 ILE A 40 27.933 5.364 13.205 1.00 0.00 H new ATOM 0 HG21 ILE A 40 31.332 5.249 14.675 1.00 0.00 H new ATOM 0 HG22 ILE A 40 32.069 5.772 13.142 1.00 0.00 H new ATOM 0 HG23 ILE A 40 30.831 6.782 13.925 1.00 0.00 H new ATOM 0 HD11 ILE A 40 27.619 3.560 14.882 1.00 0.00 H new ATOM 0 HD12 ILE A 40 28.404 2.922 13.418 1.00 0.00 H new ATOM 0 HD13 ILE A 40 29.370 3.246 14.877 1.00 0.00 H new ATOM 557 N CYS A 41 32.093 6.277 10.958 1.00 0.00 N ATOM 558 CA CYS A 41 33.268 6.064 10.077 1.00 0.00 C ATOM 559 C CYS A 41 34.598 6.398 10.707 1.00 0.00 C ATOM 560 O CYS A 41 34.742 7.348 11.450 1.00 0.00 O ATOM 561 CB CYS A 41 33.123 6.928 8.833 1.00 0.00 C ATOM 562 SG CYS A 41 33.256 6.105 7.230 1.00 0.00 S ATOM 0 H CYS A 41 32.195 6.978 11.691 1.00 0.00 H new ATOM 0 HA CYS A 41 33.275 4.997 9.856 1.00 0.00 H new ATOM 0 HB2 CYS A 41 32.153 7.423 8.878 1.00 0.00 H new ATOM 0 HB3 CYS A 41 33.882 7.709 8.875 1.00 0.00 H new ATOM 567 N ALA A 42 35.549 5.573 10.374 1.00 0.00 N ATOM 568 CA ALA A 42 36.917 5.748 10.892 1.00 0.00 C ATOM 569 C ALA A 42 37.793 6.327 9.789 1.00 0.00 C ATOM 570 O ALA A 42 38.153 5.626 8.850 1.00 0.00 O ATOM 571 CB ALA A 42 37.471 4.374 11.301 1.00 0.00 C ATOM 0 H ALA A 42 35.426 4.773 9.753 1.00 0.00 H new ATOM 0 HA ALA A 42 36.909 6.419 11.751 1.00 0.00 H new ATOM 0 HB1 ALA A 42 38.484 4.490 11.686 1.00 0.00 H new ATOM 0 HB2 ALA A 42 36.836 3.941 12.074 1.00 0.00 H new ATOM 0 HB3 ALA A 42 37.486 3.715 10.433 1.00 0.00 H new ATOM 577 N LEU A 43 38.104 7.589 9.898 1.00 0.00 N ATOM 578 CA LEU A 43 38.951 8.217 8.859 1.00 0.00 C ATOM 579 C LEU A 43 40.322 7.556 8.806 1.00 0.00 C ATOM 580 O LEU A 43 41.223 7.924 9.536 1.00 0.00 O ATOM 581 CB LEU A 43 39.125 9.701 9.207 1.00 0.00 C ATOM 582 CG LEU A 43 37.827 10.445 8.887 1.00 0.00 C ATOM 583 CD1 LEU A 43 37.635 11.578 9.895 1.00 0.00 C ATOM 584 CD2 LEU A 43 37.916 11.036 7.478 1.00 0.00 C ATOM 0 H LEU A 43 37.809 8.204 10.656 1.00 0.00 H new ATOM 0 HA LEU A 43 38.471 8.098 7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 43 39.373 9.813 10.263 1.00 0.00 H new ATOM 0 HB3 LEU A 43 39.952 10.126 8.639 1.00 0.00 H new ATOM 0 HG LEU A 43 36.986 9.754 8.943 1.00 0.00 H new ATOM 0 HD11 LEU A 43 36.711 12.111 9.671 1.00 0.00 H new ATOM 0 HD12 LEU A 43 37.580 11.164 10.902 1.00 0.00 H new ATOM 0 HD13 LEU A 43 38.477 12.268 9.832 1.00 0.00 H new ATOM 0 HD21 LEU A 43 36.992 11.567 7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 43 38.756 11.729 7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 43 38.064 10.233 6.755 1.00 0.00 H new ATOM 596 N SER A 44 40.450 6.584 7.943 1.00 0.00 N ATOM 597 CA SER A 44 41.749 5.875 7.814 1.00 0.00 C ATOM 598 C SER A 44 42.063 5.594 6.351 1.00 0.00 C ATOM 599 O SER A 44 41.456 6.163 5.466 1.00 0.00 O ATOM 600 CB SER A 44 41.650 4.540 8.567 1.00 0.00 C ATOM 601 OG SER A 44 41.088 4.890 9.823 1.00 0.00 O ATOM 0 H SER A 44 39.710 6.253 7.324 1.00 0.00 H new ATOM 0 HA SER A 44 42.541 6.498 8.229 1.00 0.00 H new ATOM 0 HB2 SER A 44 41.021 3.828 8.034 1.00 0.00 H new ATOM 0 HB3 SER A 44 42.629 4.075 8.684 1.00 0.00 H new ATOM 0 HG SER A 44 40.988 4.085 10.372 1.00 0.00 H new ATOM 607 N TYR A 45 43.003 4.725 6.123 1.00 0.00 N ATOM 608 CA TYR A 45 43.366 4.399 4.721 1.00 0.00 C ATOM 609 C TYR A 45 43.860 2.932 4.598 1.00 0.00 C ATOM 610 O TYR A 45 44.954 2.632 5.032 1.00 0.00 O ATOM 611 CB TYR A 45 44.528 5.318 4.316 1.00 0.00 C ATOM 612 CG TYR A 45 44.104 6.783 4.463 1.00 0.00 C ATOM 613 CD1 TYR A 45 43.323 7.387 3.499 1.00 0.00 C ATOM 614 CD2 TYR A 45 44.509 7.523 5.556 1.00 0.00 C ATOM 615 CE1 TYR A 45 42.956 8.714 3.625 1.00 0.00 C ATOM 616 CE2 TYR A 45 44.142 8.847 5.681 1.00 0.00 C ATOM 617 CZ TYR A 45 43.363 9.452 4.716 1.00 0.00 C ATOM 618 OH TYR A 45 42.999 10.777 4.842 1.00 0.00 O ATOM 0 H TYR A 45 43.532 4.230 6.841 1.00 0.00 H new ATOM 0 HA TYR A 45 42.490 4.533 4.086 1.00 0.00 H new ATOM 0 HB2 TYR A 45 45.398 5.117 4.941 1.00 0.00 H new ATOM 0 HB3 TYR A 45 44.822 5.116 3.286 1.00 0.00 H new ATOM 0 HD1 TYR A 45 42.996 6.819 2.640 1.00 0.00 H new ATOM 0 HD2 TYR A 45 45.118 7.062 6.319 1.00 0.00 H new ATOM 0 HE1 TYR A 45 42.346 9.176 2.863 1.00 0.00 H new ATOM 0 HE2 TYR A 45 44.467 9.414 6.541 1.00 0.00 H new ATOM 0 HH TYR A 45 43.372 11.141 5.672 1.00 0.00 H new ATOM 628 N PRO A 46 43.059 2.023 4.012 1.00 0.00 N ATOM 629 CA PRO A 46 41.711 2.301 3.465 1.00 0.00 C ATOM 630 C PRO A 46 40.734 2.729 4.560 1.00 0.00 C ATOM 631 O PRO A 46 40.736 2.177 5.642 1.00 0.00 O ATOM 632 CB PRO A 46 41.239 0.950 2.880 1.00 0.00 C ATOM 633 CG PRO A 46 42.343 -0.102 3.173 1.00 0.00 C ATOM 634 CD PRO A 46 43.501 0.627 3.869 1.00 0.00 C ATOM 0 HA PRO A 46 41.746 3.109 2.734 1.00 0.00 H new ATOM 0 HB2 PRO A 46 40.293 0.648 3.330 1.00 0.00 H new ATOM 0 HB3 PRO A 46 41.068 1.037 1.807 1.00 0.00 H new ATOM 0 HG2 PRO A 46 41.955 -0.899 3.807 1.00 0.00 H new ATOM 0 HG3 PRO A 46 42.684 -0.568 2.248 1.00 0.00 H new ATOM 0 HD2 PRO A 46 43.717 0.182 4.841 1.00 0.00 H new ATOM 0 HD3 PRO A 46 44.415 0.564 3.279 1.00 0.00 H new ATOM 642 N ALA A 47 39.919 3.705 4.264 1.00 0.00 N ATOM 643 CA ALA A 47 38.942 4.169 5.284 1.00 0.00 C ATOM 644 C ALA A 47 37.959 3.055 5.593 1.00 0.00 C ATOM 645 O ALA A 47 37.820 2.130 4.819 1.00 0.00 O ATOM 646 CB ALA A 47 38.167 5.364 4.711 1.00 0.00 C ATOM 0 H ALA A 47 39.888 4.195 3.370 1.00 0.00 H new ATOM 0 HA ALA A 47 39.469 4.454 6.194 1.00 0.00 H new ATOM 0 HB1 ALA A 47 37.445 5.717 5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 47 38.863 6.168 4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 47 37.642 5.057 3.807 1.00 0.00 H new ATOM 652 N GLN A 48 37.303 3.147 6.720 1.00 0.00 N ATOM 653 CA GLN A 48 36.324 2.079 7.072 1.00 0.00 C ATOM 654 C GLN A 48 35.053 2.657 7.661 1.00 0.00 C ATOM 655 O GLN A 48 35.105 3.518 8.517 1.00 0.00 O ATOM 656 CB GLN A 48 36.968 1.183 8.126 1.00 0.00 C ATOM 657 CG GLN A 48 36.157 -0.109 8.262 1.00 0.00 C ATOM 658 CD GLN A 48 35.882 -0.380 9.744 1.00 0.00 C ATOM 659 OE1 GLN A 48 36.492 -1.237 10.354 1.00 0.00 O ATOM 660 NE2 GLN A 48 34.974 0.327 10.360 1.00 0.00 N ATOM 0 H GLN A 48 37.400 3.901 7.400 1.00 0.00 H new ATOM 0 HA GLN A 48 36.066 1.531 6.166 1.00 0.00 H new ATOM 0 HB2 GLN A 48 37.995 0.952 7.844 1.00 0.00 H new ATOM 0 HB3 GLN A 48 37.009 1.702 9.084 1.00 0.00 H new ATOM 0 HG2 GLN A 48 35.218 -0.022 7.716 1.00 0.00 H new ATOM 0 HG3 GLN A 48 36.704 -0.943 7.823 1.00 0.00 H new ATOM 0 HE21 GLN A 48 34.459 1.047 9.854 1.00 0.00 H new ATOM 0 HE22 GLN A 48 34.780 0.159 11.347 1.00 0.00 H new ATOM 669 N CYS A 49 33.929 2.175 7.183 1.00 0.00 N ATOM 670 CA CYS A 49 32.629 2.688 7.711 1.00 0.00 C ATOM 671 C CYS A 49 31.742 1.560 8.179 1.00 0.00 C ATOM 672 O CYS A 49 31.761 0.480 7.632 1.00 0.00 O ATOM 673 CB CYS A 49 31.902 3.471 6.616 1.00 0.00 C ATOM 674 SG CYS A 49 31.472 5.193 6.980 1.00 0.00 S ATOM 0 H CYS A 49 33.858 1.459 6.460 1.00 0.00 H new ATOM 0 HA CYS A 49 32.845 3.336 8.561 1.00 0.00 H new ATOM 0 HB2 CYS A 49 32.525 3.460 5.722 1.00 0.00 H new ATOM 0 HB3 CYS A 49 30.984 2.937 6.372 1.00 0.00 H new ATOM 679 N PHE A 50 30.976 1.844 9.199 1.00 0.00 N ATOM 680 CA PHE A 50 30.059 0.820 9.753 1.00 0.00 C ATOM 681 C PHE A 50 28.628 1.331 9.771 1.00 0.00 C ATOM 682 O PHE A 50 28.394 2.524 9.805 1.00 0.00 O ATOM 683 CB PHE A 50 30.484 0.527 11.199 1.00 0.00 C ATOM 684 CG PHE A 50 30.565 -0.985 11.409 1.00 0.00 C ATOM 685 CD1 PHE A 50 29.433 -1.707 11.741 1.00 0.00 C ATOM 686 CD2 PHE A 50 31.772 -1.649 11.278 1.00 0.00 C ATOM 687 CE1 PHE A 50 29.507 -3.071 11.937 1.00 0.00 C ATOM 688 CE2 PHE A 50 31.842 -3.013 11.475 1.00 0.00 C ATOM 689 CZ PHE A 50 30.710 -3.723 11.803 1.00 0.00 C ATOM 0 H PHE A 50 30.950 2.748 9.671 1.00 0.00 H new ATOM 0 HA PHE A 50 30.108 -0.075 9.133 1.00 0.00 H new ATOM 0 HB2 PHE A 50 31.451 0.986 11.405 1.00 0.00 H new ATOM 0 HB3 PHE A 50 29.768 0.964 11.895 1.00 0.00 H new ATOM 0 HD1 PHE A 50 28.485 -1.200 11.848 1.00 0.00 H new ATOM 0 HD2 PHE A 50 32.664 -1.097 11.020 1.00 0.00 H new ATOM 0 HE1 PHE A 50 28.618 -3.627 12.196 1.00 0.00 H new ATOM 0 HE2 PHE A 50 32.788 -3.524 11.371 1.00 0.00 H new ATOM 0 HZ PHE A 50 30.766 -4.791 11.955 1.00 0.00 H new ATOM 699 N CYS A 51 27.703 0.413 9.747 1.00 0.00 N ATOM 700 CA CYS A 51 26.269 0.795 9.763 1.00 0.00 C ATOM 701 C CYS A 51 25.582 0.138 10.944 1.00 0.00 C ATOM 702 O CYS A 51 25.386 -1.058 10.949 1.00 0.00 O ATOM 703 CB CYS A 51 25.619 0.290 8.466 1.00 0.00 C ATOM 704 SG CYS A 51 24.160 1.174 7.868 1.00 0.00 S ATOM 0 H CYS A 51 27.882 -0.591 9.717 1.00 0.00 H new ATOM 0 HA CYS A 51 26.173 1.878 9.844 1.00 0.00 H new ATOM 0 HB2 CYS A 51 26.373 0.314 7.680 1.00 0.00 H new ATOM 0 HB3 CYS A 51 25.344 -0.755 8.612 1.00 0.00 H new ATOM 709 N VAL A 52 25.215 0.920 11.926 1.00 0.00 N ATOM 710 CA VAL A 52 24.541 0.308 13.100 1.00 0.00 C ATOM 711 C VAL A 52 23.048 0.247 12.867 1.00 0.00 C ATOM 712 O VAL A 52 22.309 -0.288 13.670 1.00 0.00 O ATOM 713 CB VAL A 52 24.837 1.140 14.360 1.00 0.00 C ATOM 714 CG1 VAL A 52 26.171 0.686 14.956 1.00 0.00 C ATOM 715 CG2 VAL A 52 24.936 2.612 13.990 1.00 0.00 C ATOM 0 H VAL A 52 25.350 1.930 11.964 1.00 0.00 H new ATOM 0 HA VAL A 52 24.920 -0.705 13.239 1.00 0.00 H new ATOM 0 HB VAL A 52 24.035 1.000 15.085 1.00 0.00 H new ATOM 0 HG11 VAL A 52 26.388 1.271 15.850 1.00 0.00 H new ATOM 0 HG12 VAL A 52 26.111 -0.370 15.219 1.00 0.00 H new ATOM 0 HG13 VAL A 52 26.965 0.833 14.224 1.00 0.00 H new ATOM 0 HG21 VAL A 52 25.146 3.199 14.884 1.00 0.00 H new ATOM 0 HG22 VAL A 52 25.740 2.752 13.267 1.00 0.00 H new ATOM 0 HG23 VAL A 52 23.993 2.941 13.553 1.00 0.00 H new ATOM 725 N ASP A 53 22.625 0.801 11.766 1.00 0.00 N ATOM 726 CA ASP A 53 21.183 0.783 11.461 1.00 0.00 C ATOM 727 C ASP A 53 20.743 -0.650 11.245 1.00 0.00 C ATOM 728 O ASP A 53 21.367 -1.381 10.500 1.00 0.00 O ATOM 729 CB ASP A 53 20.947 1.582 10.182 1.00 0.00 C ATOM 730 CG ASP A 53 19.454 1.875 10.035 1.00 0.00 C ATOM 731 OD1 ASP A 53 18.986 2.694 10.809 1.00 0.00 O ATOM 732 OD2 ASP A 53 18.865 1.263 9.160 1.00 0.00 O ATOM 0 H ASP A 53 23.216 1.260 11.073 1.00 0.00 H new ATOM 0 HA ASP A 53 20.616 1.219 12.283 1.00 0.00 H new ATOM 0 HB2 ASP A 53 21.511 2.514 10.213 1.00 0.00 H new ATOM 0 HB3 ASP A 53 21.306 1.022 9.319 1.00 0.00 H new ATOM 737 N ILE A 54 19.680 -1.024 11.897 1.00 0.00 N ATOM 738 CA ILE A 54 19.176 -2.407 11.753 1.00 0.00 C ATOM 739 C ILE A 54 17.752 -2.463 11.230 1.00 0.00 C ATOM 740 O ILE A 54 17.057 -1.470 11.158 1.00 0.00 O ATOM 741 CB ILE A 54 19.200 -3.047 13.136 1.00 0.00 C ATOM 742 CG1 ILE A 54 19.102 -1.966 14.213 1.00 0.00 C ATOM 743 CG2 ILE A 54 20.531 -3.807 13.306 1.00 0.00 C ATOM 744 CD1 ILE A 54 18.600 -2.592 15.519 1.00 0.00 C ATOM 0 H ILE A 54 19.140 -0.427 12.524 1.00 0.00 H new ATOM 0 HA ILE A 54 19.809 -2.928 11.034 1.00 0.00 H new ATOM 0 HB ILE A 54 18.356 -3.730 13.236 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.077 -1.504 14.370 1.00 0.00 H new ATOM 0 HG13 ILE A 54 18.423 -1.177 13.891 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.562 -4.270 14.292 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.610 -4.578 12.540 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.363 -3.110 13.206 1.00 0.00 H new ATOM 0 HD11 ILE A 54 18.530 -1.823 16.288 1.00 0.00 H new ATOM 0 HD12 ILE A 54 17.617 -3.034 15.356 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.296 -3.366 15.843 1.00 0.00 H new ATOM 756 N THR A 55 17.358 -3.653 10.876 1.00 0.00 N ATOM 757 CA THR A 55 15.995 -3.870 10.347 1.00 0.00 C ATOM 758 C THR A 55 15.412 -5.145 10.949 1.00 0.00 C ATOM 759 O THR A 55 16.070 -5.817 11.720 1.00 0.00 O ATOM 760 CB THR A 55 16.091 -4.027 8.825 1.00 0.00 C ATOM 761 OG1 THR A 55 14.895 -4.669 8.431 1.00 0.00 O ATOM 762 CG2 THR A 55 17.201 -5.018 8.453 1.00 0.00 C ATOM 0 H THR A 55 17.934 -4.493 10.934 1.00 0.00 H new ATOM 0 HA THR A 55 15.353 -3.027 10.603 1.00 0.00 H new ATOM 0 HB THR A 55 16.271 -3.055 8.366 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.556 -4.254 7.610 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.253 -5.116 7.369 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.156 -4.653 8.831 1.00 0.00 H new ATOM 0 HG23 THR A 55 16.984 -5.990 8.895 1.00 0.00 H new ATOM 770 N ASP A 56 14.195 -5.459 10.589 1.00 0.00 N ATOM 771 CA ASP A 56 13.557 -6.690 11.136 1.00 0.00 C ATOM 772 C ASP A 56 13.436 -7.780 10.073 1.00 0.00 C ATOM 773 O ASP A 56 12.446 -8.480 10.022 1.00 0.00 O ATOM 774 CB ASP A 56 12.145 -6.320 11.609 1.00 0.00 C ATOM 775 CG ASP A 56 12.168 -4.918 12.220 1.00 0.00 C ATOM 776 OD1 ASP A 56 12.858 -4.771 13.215 1.00 0.00 O ATOM 777 OD2 ASP A 56 11.495 -4.071 11.655 1.00 0.00 O ATOM 0 H ASP A 56 13.619 -4.919 9.943 1.00 0.00 H new ATOM 0 HA ASP A 56 14.173 -7.071 11.950 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.448 -6.353 10.771 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.794 -7.044 12.344 1.00 0.00 H new ATOM 782 N PHE A 57 14.445 -7.915 9.246 1.00 0.00 N ATOM 783 CA PHE A 57 14.371 -8.972 8.188 1.00 0.00 C ATOM 784 C PHE A 57 15.607 -9.007 7.274 1.00 0.00 C ATOM 785 O PHE A 57 15.672 -9.817 6.370 1.00 0.00 O ATOM 786 CB PHE A 57 13.149 -8.684 7.309 1.00 0.00 C ATOM 787 CG PHE A 57 12.998 -7.171 7.122 1.00 0.00 C ATOM 788 CD1 PHE A 57 13.825 -6.487 6.248 1.00 0.00 C ATOM 789 CD2 PHE A 57 12.033 -6.468 7.822 1.00 0.00 C ATOM 790 CE1 PHE A 57 13.688 -5.125 6.077 1.00 0.00 C ATOM 791 CE2 PHE A 57 11.899 -5.105 7.650 1.00 0.00 C ATOM 792 CZ PHE A 57 12.726 -4.435 6.778 1.00 0.00 C ATOM 0 H PHE A 57 15.297 -7.354 9.255 1.00 0.00 H new ATOM 0 HA PHE A 57 14.309 -9.934 8.697 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.262 -9.171 6.340 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.251 -9.095 7.770 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.583 -7.023 5.696 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.381 -6.989 8.507 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.337 -4.600 5.392 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.144 -4.564 8.201 1.00 0.00 H new ATOM 0 HZ PHE A 57 12.620 -3.369 6.644 1.00 0.00 H new ATOM 802 N CYS A 58 16.559 -8.146 7.509 1.00 0.00 N ATOM 803 CA CYS A 58 17.766 -8.153 6.643 1.00 0.00 C ATOM 804 C CYS A 58 17.391 -7.930 5.189 1.00 0.00 C ATOM 805 O CYS A 58 16.883 -8.812 4.524 1.00 0.00 O ATOM 806 CB CYS A 58 18.482 -9.508 6.766 1.00 0.00 C ATOM 807 SG CYS A 58 20.211 -9.483 7.280 1.00 0.00 S ATOM 0 H CYS A 58 16.553 -7.448 8.253 1.00 0.00 H new ATOM 0 HA CYS A 58 18.423 -7.346 6.969 1.00 0.00 H new ATOM 0 HB2 CYS A 58 17.927 -10.120 7.477 1.00 0.00 H new ATOM 0 HB3 CYS A 58 18.424 -10.010 5.800 1.00 0.00 H new ATOM 812 N TYR A 59 17.642 -6.745 4.734 1.00 0.00 N ATOM 813 CA TYR A 59 17.320 -6.411 3.330 1.00 0.00 C ATOM 814 C TYR A 59 17.814 -7.496 2.373 1.00 0.00 C ATOM 815 O TYR A 59 18.433 -8.460 2.780 1.00 0.00 O ATOM 816 CB TYR A 59 18.023 -5.094 2.976 1.00 0.00 C ATOM 817 CG TYR A 59 17.823 -4.081 4.110 1.00 0.00 C ATOM 818 CD1 TYR A 59 16.682 -3.311 4.171 1.00 0.00 C ATOM 819 CD2 TYR A 59 18.794 -3.909 5.071 1.00 0.00 C ATOM 820 CE1 TYR A 59 16.514 -2.381 5.177 1.00 0.00 C ATOM 821 CE2 TYR A 59 18.629 -2.979 6.077 1.00 0.00 C ATOM 822 CZ TYR A 59 17.487 -2.208 6.139 1.00 0.00 C ATOM 823 OH TYR A 59 17.322 -1.279 7.144 1.00 0.00 O ATOM 0 H TYR A 59 18.059 -5.988 5.277 1.00 0.00 H new ATOM 0 HA TYR A 59 16.238 -6.327 3.230 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.087 -5.270 2.816 1.00 0.00 H new ATOM 0 HB3 TYR A 59 17.622 -4.695 2.044 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.912 -3.436 3.424 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.693 -4.507 5.037 1.00 0.00 H new ATOM 0 HE1 TYR A 59 15.614 -1.785 5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 59 19.401 -2.854 6.822 1.00 0.00 H new ATOM 0 HH TYR A 59 18.105 -1.292 7.734 1.00 0.00 H new ATOM 833 N GLU A 60 17.533 -7.307 1.111 1.00 0.00 N ATOM 834 CA GLU A 60 17.969 -8.304 0.098 1.00 0.00 C ATOM 835 C GLU A 60 19.398 -7.985 -0.379 1.00 0.00 C ATOM 836 O GLU A 60 19.849 -6.865 -0.252 1.00 0.00 O ATOM 837 CB GLU A 60 17.004 -8.193 -1.098 1.00 0.00 C ATOM 838 CG GLU A 60 15.881 -9.220 -0.935 1.00 0.00 C ATOM 839 CD GLU A 60 15.206 -9.017 0.424 1.00 0.00 C ATOM 840 OE1 GLU A 60 14.421 -8.086 0.505 1.00 0.00 O ATOM 841 OE2 GLU A 60 15.513 -9.804 1.305 1.00 0.00 O ATOM 0 H GLU A 60 17.021 -6.506 0.741 1.00 0.00 H new ATOM 0 HA GLU A 60 17.960 -9.307 0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.588 -7.187 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.540 -8.368 -2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 60 15.151 -9.109 -1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.283 -10.231 -1.007 1.00 0.00 H new ATOM 848 N PRO A 61 20.095 -8.979 -0.921 1.00 0.00 N ATOM 849 CA PRO A 61 21.458 -8.762 -1.400 1.00 0.00 C ATOM 850 C PRO A 61 21.529 -7.515 -2.270 1.00 0.00 C ATOM 851 O PRO A 61 20.534 -7.091 -2.824 1.00 0.00 O ATOM 852 CB PRO A 61 21.796 -10.020 -2.220 1.00 0.00 C ATOM 853 CG PRO A 61 20.642 -11.045 -1.987 1.00 0.00 C ATOM 854 CD PRO A 61 19.583 -10.350 -1.110 1.00 0.00 C ATOM 0 HA PRO A 61 22.161 -8.607 -0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 61 21.887 -9.777 -3.279 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.752 -10.439 -1.906 1.00 0.00 H new ATOM 0 HG2 PRO A 61 20.209 -11.359 -2.937 1.00 0.00 H new ATOM 0 HG3 PRO A 61 21.018 -11.943 -1.496 1.00 0.00 H new ATOM 0 HD2 PRO A 61 18.607 -10.345 -1.596 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.461 -10.862 -0.156 1.00 0.00 H new ATOM 862 N CYS A 62 22.706 -6.957 -2.377 1.00 0.00 N ATOM 863 CA CYS A 62 22.872 -5.732 -3.204 1.00 0.00 C ATOM 864 C CYS A 62 23.668 -5.980 -4.444 1.00 0.00 C ATOM 865 O CYS A 62 24.334 -6.985 -4.598 1.00 0.00 O ATOM 866 CB CYS A 62 23.614 -4.680 -2.361 1.00 0.00 C ATOM 867 SG CYS A 62 23.264 -2.922 -2.655 1.00 0.00 S ATOM 0 H CYS A 62 23.556 -7.298 -1.928 1.00 0.00 H new ATOM 0 HA CYS A 62 21.880 -5.396 -3.505 1.00 0.00 H new ATOM 0 HB2 CYS A 62 23.403 -4.888 -1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 62 24.683 -4.833 -2.507 1.00 0.00 H new