USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 349 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 39 CYS SG : rot 66:sc= -0.677 USER MOD Set 1.2: A 41 CYS SG : rot 158:sc= -1.9! USER MOD Set 1.3: A 46 CYS SG : rot 10:sc= 1.88 USER MOD Set 1.4: A 48 CYS SG : rot -28:sc= -1.08! USER MOD Set 1.5: A 52 CYS SG : rot 117:sc= 0.464 USER MOD Set 1.6: A 58 CYS SG : rot -47:sc= 0.706 USER MOD Set 1.7: A 60 CYS SG : rot 119:sc= 0.475 USER MOD Set 1.8: A 64 CYS SG : rot -180:sc= 0.146 USER MOD Set 1.9: A 65 SER OG : rot 180:sc= 0.0121 USER MOD Set 1.10: A 66 CYS SG : rot -64:sc= -1.94! USER MOD Set 1.11: A 67 LYS NZ :NH3+ 139:sc= 3.08 (180deg=-0.272) USER MOD Set 2.1: A 10 CYS SG : rot -117:sc= -2.29! USER MOD Set 2.2: A 14 CYS SG : rot 17:sc= 0.241 USER MOD Set 2.3: A 19 CYS SG : rot -64:sc= 1.34 USER MOD Set 2.4: A 21 CYS SG : rot -174:sc= -0.483 USER MOD Set 2.5: A 25 CYS SG : rot -54:sc= -3.04! USER MOD Set 2.6: A 27 CYS SG : rot -163:sc= -0.988! USER MOD Set 2.7: A 31 CYS SG : rot 180:sc= -1.4! USER MOD Set 2.8: A 33 CYS SG : rot 80:sc= -1.05! USER MOD Set 2.9: A 36 CYS SG : rot 180:sc= 0.0921 USER MOD Set 2.10: A 37 LYS NZ :NH3+ -155:sc= 0.666 (180deg=0.202) USER MOD Set 2.11: A 62 SER OG : rot 118:sc= -0.672! USER MOD Set 3.1: A 11 THR OG1 : rot 160:sc= 0.433 USER MOD Set 3.2: A 26 GLN : amide:sc= 0.496 K(o=0.93,f=-0.25) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 71:sc= 1.27 USER MOD Single : A 20 GLN : amide:sc= 0.942 K(o=0.94,f=-0.067) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= -0.082 (180deg=-0.427) USER MOD Single : A 32 THR OG1 : rot 14:sc= 0.884 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= -0.0705 (180deg=-0.465) USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0356) USER MOD Single : A 53 THR OG1 : rot 17:sc= 0.764 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 150:sc= -1.11 (180deg=-2.56!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N LYS A 9 -16.470 23.239 -12.311 1.00 0.00 N ATOM 99 CA LYS A 9 -17.635 23.513 -11.498 1.00 0.00 C ATOM 100 C LYS A 9 -18.277 24.762 -12.033 1.00 0.00 C ATOM 101 O LYS A 9 -19.172 25.343 -11.416 1.00 0.00 O ATOM 102 CB LYS A 9 -17.252 23.731 -10.017 1.00 0.00 C ATOM 103 CG LYS A 9 -16.685 22.507 -9.297 1.00 0.00 C ATOM 104 CD LYS A 9 -15.259 22.195 -9.722 1.00 0.00 C ATOM 105 CE LYS A 9 -14.691 21.021 -8.943 1.00 0.00 C ATOM 106 NZ LYS A 9 -13.294 20.715 -9.339 1.00 0.00 N ATOM 0 HA LYS A 9 -18.315 22.662 -11.542 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -16.517 24.535 -9.964 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -18.136 24.071 -9.477 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -16.712 22.677 -8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -17.319 21.644 -9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.237 21.970 -10.788 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.632 23.073 -9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.725 21.243 -7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.315 20.142 -9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.945 19.908 -8.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.264 20.478 -10.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.693 21.545 -9.160 1.00 0.00 H new ATOM 120 N CYS A 10 -17.796 25.175 -13.191 1.00 0.00 N ATOM 121 CA CYS A 10 -18.235 26.387 -13.812 1.00 0.00 C ATOM 122 C CYS A 10 -19.698 26.351 -14.206 1.00 0.00 C ATOM 123 O CYS A 10 -20.261 25.291 -14.503 1.00 0.00 O ATOM 124 CB CYS A 10 -17.362 26.745 -15.006 1.00 0.00 C ATOM 125 SG CYS A 10 -15.652 27.104 -14.564 1.00 0.00 S ATOM 0 H CYS A 10 -17.087 24.669 -13.721 1.00 0.00 H new ATOM 0 HA CYS A 10 -18.131 27.169 -13.060 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -17.379 25.921 -15.719 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -17.788 27.612 -15.511 1.00 0.00 H new ATOM 0 HG CYS A 10 -15.376 28.338 -14.865 1.00 0.00 H new ATOM 130 N THR A 11 -20.305 27.515 -14.203 1.00 0.00 N ATOM 131 CA THR A 11 -21.692 27.655 -14.539 1.00 0.00 C ATOM 132 C THR A 11 -21.838 28.363 -15.889 1.00 0.00 C ATOM 133 O THR A 11 -20.834 28.628 -16.571 1.00 0.00 O ATOM 134 CB THR A 11 -22.422 28.451 -13.442 1.00 0.00 C ATOM 135 OG1 THR A 11 -21.868 29.776 -13.352 1.00 0.00 O ATOM 136 CG2 THR A 11 -22.270 27.752 -12.095 1.00 0.00 C ATOM 0 H THR A 11 -19.843 28.393 -13.965 1.00 0.00 H new ATOM 0 HA THR A 11 -22.139 26.664 -14.612 1.00 0.00 H new ATOM 0 HB THR A 11 -23.480 28.511 -13.699 1.00 0.00 H new ATOM 0 HG1 THR A 11 -22.512 30.371 -12.915 1.00 0.00 H new ATOM 0 HG21 THR A 11 -22.790 28.324 -11.327 1.00 0.00 H new ATOM 0 HG22 THR A 11 -22.698 26.751 -12.154 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.213 27.680 -11.840 1.00 0.00 H new ATOM 144 N SER A 12 -23.068 28.669 -16.271 1.00 0.00 N ATOM 145 CA SER A 12 -23.328 29.336 -17.532 1.00 0.00 C ATOM 146 C SER A 12 -22.775 30.766 -17.516 1.00 0.00 C ATOM 147 O SER A 12 -22.370 31.294 -18.551 1.00 0.00 O ATOM 148 CB SER A 12 -24.835 29.342 -17.834 1.00 0.00 C ATOM 149 OG SER A 12 -25.106 29.873 -19.128 1.00 0.00 O ATOM 0 H SER A 12 -23.903 28.464 -15.722 1.00 0.00 H new ATOM 0 HA SER A 12 -22.819 28.785 -18.322 1.00 0.00 H new ATOM 0 HB2 SER A 12 -25.225 28.326 -17.768 1.00 0.00 H new ATOM 0 HB3 SER A 12 -25.356 29.933 -17.081 1.00 0.00 H new ATOM 0 HG SER A 12 -26.072 29.862 -19.290 1.00 0.00 H new ATOM 155 N ALA A 13 -22.742 31.380 -16.329 1.00 0.00 N ATOM 156 CA ALA A 13 -22.247 32.734 -16.177 1.00 0.00 C ATOM 157 C ALA A 13 -20.793 32.824 -16.604 1.00 0.00 C ATOM 158 O ALA A 13 -20.420 33.698 -17.381 1.00 0.00 O ATOM 159 CB ALA A 13 -22.410 33.194 -14.735 1.00 0.00 C ATOM 0 H ALA A 13 -23.057 30.949 -15.459 1.00 0.00 H new ATOM 0 HA ALA A 13 -22.831 33.391 -16.821 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -22.035 34.212 -14.633 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.465 33.167 -14.462 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -21.847 32.532 -14.076 1.00 0.00 H new ATOM 165 N CYS A 14 -19.981 31.911 -16.100 1.00 0.00 N ATOM 166 CA CYS A 14 -18.565 31.873 -16.441 1.00 0.00 C ATOM 167 C CYS A 14 -18.363 31.579 -17.930 1.00 0.00 C ATOM 168 O CYS A 14 -17.497 32.154 -18.569 1.00 0.00 O ATOM 169 CB CYS A 14 -17.834 30.830 -15.595 1.00 0.00 C ATOM 170 SG CYS A 14 -16.042 30.783 -15.849 1.00 0.00 S ATOM 0 H CYS A 14 -20.277 31.182 -15.451 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.146 32.856 -16.226 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -18.034 31.029 -14.542 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.246 29.846 -15.818 1.00 0.00 H new ATOM 0 HG CYS A 14 -15.658 31.877 -16.438 1.00 0.00 H new ATOM 175 N ARG A 15 -19.180 30.695 -18.486 1.00 0.00 N ATOM 176 CA ARG A 15 -19.055 30.359 -19.907 1.00 0.00 C ATOM 177 C ARG A 15 -19.716 31.394 -20.818 1.00 0.00 C ATOM 178 O ARG A 15 -20.007 31.114 -21.982 1.00 0.00 O ATOM 179 CB ARG A 15 -19.574 28.961 -20.210 1.00 0.00 C ATOM 180 CG ARG A 15 -18.711 27.857 -19.633 1.00 0.00 C ATOM 181 CD ARG A 15 -18.730 26.622 -20.519 1.00 0.00 C ATOM 182 NE ARG A 15 -18.053 26.857 -21.803 1.00 0.00 N ATOM 183 CZ ARG A 15 -18.369 26.250 -22.953 1.00 0.00 C ATOM 184 NH1 ARG A 15 -19.379 25.394 -23.006 1.00 0.00 N ATOM 185 NH2 ARG A 15 -17.676 26.514 -24.052 1.00 0.00 N ATOM 0 H ARG A 15 -19.924 30.203 -17.991 1.00 0.00 H new ATOM 0 HA ARG A 15 -17.987 30.375 -20.124 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -20.585 28.864 -19.815 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -19.640 28.833 -21.290 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -17.687 28.213 -19.523 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.067 27.598 -18.636 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.246 25.795 -19.999 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -19.762 26.323 -20.702 1.00 0.00 H new ATOM 0 HE ARG A 15 -17.288 27.531 -21.818 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.922 25.193 -22.166 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -19.613 24.936 -23.887 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -16.903 27.179 -24.020 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -17.916 26.052 -24.929 1.00 0.00 H new ATOM 199 N SER A 16 -19.953 32.577 -20.288 1.00 0.00 N ATOM 200 CA SER A 16 -20.454 33.678 -21.078 1.00 0.00 C ATOM 201 C SER A 16 -19.313 34.663 -21.298 1.00 0.00 C ATOM 202 O SER A 16 -18.331 34.635 -20.559 1.00 0.00 O ATOM 203 CB SER A 16 -21.617 34.358 -20.361 1.00 0.00 C ATOM 204 OG SER A 16 -22.646 33.424 -20.070 1.00 0.00 O ATOM 0 H SER A 16 -19.804 32.799 -19.304 1.00 0.00 H new ATOM 0 HA SER A 16 -20.821 33.315 -22.038 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.263 34.815 -19.437 1.00 0.00 H new ATOM 0 HB3 SER A 16 -22.014 35.161 -20.982 1.00 0.00 H new ATOM 0 HG SER A 16 -22.344 32.814 -19.365 1.00 0.00 H new ATOM 210 N GLU A 17 -19.421 35.512 -22.304 1.00 0.00 N ATOM 211 CA GLU A 17 -18.365 36.476 -22.580 1.00 0.00 C ATOM 212 C GLU A 17 -18.876 37.909 -22.494 1.00 0.00 C ATOM 213 O GLU A 17 -19.746 38.311 -23.265 1.00 0.00 O ATOM 214 CB GLU A 17 -17.738 36.217 -23.948 1.00 0.00 C ATOM 215 CG GLU A 17 -16.781 35.038 -23.969 1.00 0.00 C ATOM 216 CD GLU A 17 -15.567 35.265 -23.095 1.00 0.00 C ATOM 217 OE1 GLU A 17 -14.586 35.873 -23.573 1.00 0.00 O ATOM 218 OE2 GLU A 17 -15.582 34.843 -21.933 1.00 0.00 O ATOM 0 H GLU A 17 -20.219 35.556 -22.938 1.00 0.00 H new ATOM 0 HA GLU A 17 -17.600 36.348 -21.815 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.532 36.042 -24.674 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.205 37.112 -24.268 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -17.304 34.143 -23.634 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.458 34.854 -24.994 1.00 0.00 H new ATOM 225 N PRO A 18 -18.363 38.698 -21.532 1.00 0.00 N ATOM 226 CA PRO A 18 -17.380 38.226 -20.545 1.00 0.00 C ATOM 227 C PRO A 18 -18.054 37.404 -19.451 1.00 0.00 C ATOM 228 O PRO A 18 -19.286 37.373 -19.369 1.00 0.00 O ATOM 229 CB PRO A 18 -16.825 39.523 -19.965 1.00 0.00 C ATOM 230 CG PRO A 18 -17.946 40.497 -20.088 1.00 0.00 C ATOM 231 CD PRO A 18 -18.694 40.123 -21.339 1.00 0.00 C ATOM 0 HA PRO A 18 -16.618 37.580 -20.981 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.522 39.395 -18.926 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.945 39.859 -20.514 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.599 40.451 -19.216 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.569 41.518 -20.151 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -19.767 40.273 -21.223 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -18.378 40.726 -22.190 1.00 0.00 H new ATOM 239 N CYS A 19 -17.259 36.737 -18.624 1.00 0.00 N ATOM 240 CA CYS A 19 -17.801 35.917 -17.546 1.00 0.00 C ATOM 241 C CYS A 19 -18.748 36.731 -16.677 1.00 0.00 C ATOM 242 O CYS A 19 -18.367 37.752 -16.106 1.00 0.00 O ATOM 243 CB CYS A 19 -16.680 35.311 -16.712 1.00 0.00 C ATOM 244 SG CYS A 19 -15.590 34.217 -17.650 1.00 0.00 S ATOM 0 H CYS A 19 -16.240 36.747 -18.678 1.00 0.00 H new ATOM 0 HA CYS A 19 -18.368 35.099 -17.990 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.087 36.115 -16.277 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.116 34.753 -15.884 1.00 0.00 H new ATOM 0 HG CYS A 19 -16.263 33.185 -18.065 1.00 0.00 H new ATOM 249 N GLN A 20 -19.976 36.260 -16.575 1.00 0.00 N ATOM 250 CA GLN A 20 -21.034 36.969 -15.868 1.00 0.00 C ATOM 251 C GLN A 20 -21.056 36.591 -14.411 1.00 0.00 C ATOM 252 O GLN A 20 -22.036 36.826 -13.708 1.00 0.00 O ATOM 253 CB GLN A 20 -22.377 36.657 -16.502 1.00 0.00 C ATOM 254 CG GLN A 20 -22.481 37.096 -17.944 1.00 0.00 C ATOM 255 CD GLN A 20 -22.384 38.601 -18.103 1.00 0.00 C ATOM 256 OE1 GLN A 20 -23.383 39.309 -18.034 1.00 0.00 O ATOM 257 NE2 GLN A 20 -21.187 39.093 -18.344 1.00 0.00 N ATOM 0 H GLN A 20 -20.272 35.372 -16.980 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.838 38.039 -15.941 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.556 35.583 -16.444 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -23.164 37.143 -15.925 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.689 36.621 -18.523 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -23.428 36.751 -18.358 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -20.380 38.471 -18.394 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -21.066 40.097 -18.481 1.00 0.00 H new ATOM 266 N CYS A 21 -19.975 36.006 -13.966 1.00 0.00 N ATOM 267 CA CYS A 21 -19.835 35.618 -12.585 1.00 0.00 C ATOM 268 C CYS A 21 -19.831 36.840 -11.673 1.00 0.00 C ATOM 269 O CYS A 21 -20.249 36.768 -10.509 1.00 0.00 O ATOM 270 CB CYS A 21 -18.552 34.845 -12.390 1.00 0.00 C ATOM 271 SG CYS A 21 -18.708 33.079 -12.647 1.00 0.00 S ATOM 0 H CYS A 21 -19.167 35.785 -14.549 1.00 0.00 H new ATOM 0 HA CYS A 21 -20.686 34.988 -12.325 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.799 35.235 -13.075 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -18.185 35.022 -11.379 1.00 0.00 H new ATOM 0 HG CYS A 21 -17.590 32.495 -12.335 1.00 0.00 H new ATOM 276 N GLY A 22 -19.344 37.959 -12.210 1.00 0.00 N ATOM 277 CA GLY A 22 -19.265 39.183 -11.448 1.00 0.00 C ATOM 278 C GLY A 22 -18.341 39.048 -10.264 1.00 0.00 C ATOM 279 O GLY A 22 -17.279 38.430 -10.360 1.00 0.00 O ATOM 0 H GLY A 22 -19.002 38.033 -13.168 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -18.915 39.990 -12.092 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -20.261 39.460 -11.102 1.00 0.00 H new ATOM 283 N SER A 23 -18.749 39.604 -9.150 1.00 0.00 N ATOM 284 CA SER A 23 -17.979 39.522 -7.929 1.00 0.00 C ATOM 285 C SER A 23 -18.530 38.416 -7.030 1.00 0.00 C ATOM 286 O SER A 23 -18.168 38.311 -5.862 1.00 0.00 O ATOM 287 CB SER A 23 -18.007 40.868 -7.200 1.00 0.00 C ATOM 288 OG SER A 23 -17.482 41.904 -8.022 1.00 0.00 O ATOM 0 H SER A 23 -19.621 40.125 -9.062 1.00 0.00 H new ATOM 0 HA SER A 23 -16.946 39.282 -8.178 1.00 0.00 H new ATOM 0 HB2 SER A 23 -19.031 41.109 -6.914 1.00 0.00 H new ATOM 0 HB3 SER A 23 -17.427 40.799 -6.280 1.00 0.00 H new ATOM 0 HG SER A 23 -17.512 42.754 -7.536 1.00 0.00 H new ATOM 294 N LYS A 24 -19.404 37.589 -7.588 1.00 0.00 N ATOM 295 CA LYS A 24 -19.995 36.495 -6.841 1.00 0.00 C ATOM 296 C LYS A 24 -19.238 35.221 -7.137 1.00 0.00 C ATOM 297 O LYS A 24 -18.769 34.538 -6.227 1.00 0.00 O ATOM 298 CB LYS A 24 -21.468 36.331 -7.214 1.00 0.00 C ATOM 299 CG LYS A 24 -22.304 37.571 -6.960 1.00 0.00 C ATOM 300 CD LYS A 24 -23.755 37.350 -7.345 1.00 0.00 C ATOM 301 CE LYS A 24 -24.610 38.559 -7.002 1.00 0.00 C ATOM 302 NZ LYS A 24 -24.577 38.869 -5.548 1.00 0.00 N ATOM 0 H LYS A 24 -19.717 37.658 -8.556 1.00 0.00 H new ATOM 0 HA LYS A 24 -19.933 36.714 -5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -21.539 36.066 -8.269 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -21.887 35.499 -6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -22.243 37.843 -5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -21.899 38.408 -7.529 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -23.822 37.146 -8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -24.140 36.471 -6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -24.258 39.423 -7.565 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -25.639 38.375 -7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -25.382 39.481 -5.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -24.638 37.985 -5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -23.688 39.358 -5.317 1.00 0.00 H new ATOM 316 N CYS A 25 -19.114 34.931 -8.426 1.00 0.00 N ATOM 317 CA CYS A 25 -18.390 33.771 -8.924 1.00 0.00 C ATOM 318 C CYS A 25 -19.041 32.460 -8.508 1.00 0.00 C ATOM 319 O CYS A 25 -18.861 31.973 -7.390 1.00 0.00 O ATOM 320 CB CYS A 25 -16.931 33.815 -8.508 1.00 0.00 C ATOM 321 SG CYS A 25 -15.807 33.440 -9.854 1.00 0.00 S ATOM 0 H CYS A 25 -19.520 35.505 -9.165 1.00 0.00 H new ATOM 0 HA CYS A 25 -18.434 33.814 -10.012 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -16.701 34.805 -8.115 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -16.768 33.105 -7.698 1.00 0.00 H new ATOM 0 HG CYS A 25 -16.134 32.300 -10.387 1.00 0.00 H new ATOM 326 N GLN A 26 -19.793 31.894 -9.427 1.00 0.00 N ATOM 327 CA GLN A 26 -20.510 30.653 -9.184 1.00 0.00 C ATOM 328 C GLN A 26 -19.674 29.435 -9.567 1.00 0.00 C ATOM 329 O GLN A 26 -20.004 28.308 -9.193 1.00 0.00 O ATOM 330 CB GLN A 26 -21.804 30.637 -9.981 1.00 0.00 C ATOM 331 CG GLN A 26 -22.718 31.811 -9.708 1.00 0.00 C ATOM 332 CD GLN A 26 -23.903 31.835 -10.644 1.00 0.00 C ATOM 333 OE1 GLN A 26 -23.812 31.388 -11.794 1.00 0.00 O ATOM 334 NE2 GLN A 26 -25.015 32.347 -10.169 1.00 0.00 N ATOM 0 H GLN A 26 -19.927 32.277 -10.363 1.00 0.00 H new ATOM 0 HA GLN A 26 -20.725 30.602 -8.117 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.562 30.619 -11.044 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.341 29.714 -9.761 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -23.071 31.764 -8.678 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -22.156 32.739 -9.810 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -25.045 32.704 -9.214 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -25.849 32.387 -10.755 1.00 0.00 H new ATOM 343 N CYS A 27 -18.601 29.655 -10.306 1.00 0.00 N ATOM 344 CA CYS A 27 -17.774 28.555 -10.776 1.00 0.00 C ATOM 345 C CYS A 27 -16.702 28.184 -9.762 1.00 0.00 C ATOM 346 O CYS A 27 -16.664 28.722 -8.648 1.00 0.00 O ATOM 347 CB CYS A 27 -17.129 28.909 -12.110 1.00 0.00 C ATOM 348 SG CYS A 27 -15.980 30.280 -12.038 1.00 0.00 S ATOM 0 H CYS A 27 -18.282 30.580 -10.593 1.00 0.00 H new ATOM 0 HA CYS A 27 -18.424 27.690 -10.908 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -16.605 28.032 -12.490 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -17.914 29.147 -12.827 1.00 0.00 H new ATOM 0 HG CYS A 27 -15.759 30.725 -13.239 1.00 0.00 H new ATOM 353 N GLY A 28 -15.839 27.258 -10.151 1.00 0.00 N ATOM 354 CA GLY A 28 -14.766 26.823 -9.291 1.00 0.00 C ATOM 355 C GLY A 28 -13.553 27.730 -9.375 1.00 0.00 C ATOM 356 O GLY A 28 -13.603 28.882 -8.933 1.00 0.00 O ATOM 0 H GLY A 28 -15.867 26.796 -11.060 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.121 26.790 -8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.476 25.808 -9.561 1.00 0.00 H new ATOM 360 N GLU A 29 -12.468 27.232 -9.965 1.00 0.00 N ATOM 361 CA GLU A 29 -11.219 28.001 -10.020 1.00 0.00 C ATOM 362 C GLU A 29 -10.265 27.497 -11.105 1.00 0.00 C ATOM 363 O GLU A 29 -9.189 28.059 -11.307 1.00 0.00 O ATOM 364 CB GLU A 29 -10.531 27.931 -8.660 1.00 0.00 C ATOM 365 CG GLU A 29 -10.176 26.507 -8.258 1.00 0.00 C ATOM 366 CD GLU A 29 -9.810 26.368 -6.806 1.00 0.00 C ATOM 367 OE1 GLU A 29 -10.658 25.893 -6.024 1.00 0.00 O ATOM 368 OE2 GLU A 29 -8.670 26.705 -6.438 1.00 0.00 O ATOM 0 H GLU A 29 -12.424 26.314 -10.407 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.475 29.030 -10.272 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.624 28.535 -8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.184 28.366 -7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.022 25.855 -8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.342 26.162 -8.869 1.00 0.00 H new ATOM 375 N GLY A 30 -10.678 26.485 -11.811 1.00 0.00 N ATOM 376 CA GLY A 30 -9.812 25.854 -12.801 1.00 0.00 C ATOM 377 C GLY A 30 -9.867 26.509 -14.163 1.00 0.00 C ATOM 378 O GLY A 30 -9.097 26.163 -15.055 1.00 0.00 O ATOM 0 H GLY A 30 -11.606 26.069 -11.730 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.784 25.876 -12.438 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.093 24.805 -12.900 1.00 0.00 H new ATOM 382 N CYS A 31 -10.766 27.444 -14.322 1.00 0.00 N ATOM 383 CA CYS A 31 -10.935 28.147 -15.577 1.00 0.00 C ATOM 384 C CYS A 31 -9.821 29.173 -15.782 1.00 0.00 C ATOM 385 O CYS A 31 -9.436 29.470 -16.915 1.00 0.00 O ATOM 386 CB CYS A 31 -12.272 28.836 -15.551 1.00 0.00 C ATOM 387 SG CYS A 31 -12.563 29.675 -13.988 1.00 0.00 S ATOM 0 H CYS A 31 -11.406 27.744 -13.586 1.00 0.00 H new ATOM 0 HA CYS A 31 -10.887 27.437 -16.403 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.324 29.558 -16.366 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.061 28.104 -15.723 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.726 30.254 -14.017 1.00 0.00 H new ATOM 392 N THR A 32 -9.304 29.702 -14.664 1.00 0.00 N ATOM 393 CA THR A 32 -8.230 30.709 -14.663 1.00 0.00 C ATOM 394 C THR A 32 -8.533 31.885 -15.608 1.00 0.00 C ATOM 395 O THR A 32 -7.651 32.370 -16.324 1.00 0.00 O ATOM 396 CB THR A 32 -6.846 30.085 -15.003 1.00 0.00 C ATOM 397 OG1 THR A 32 -6.882 29.412 -16.276 1.00 0.00 O ATOM 398 CG2 THR A 32 -6.421 29.099 -13.921 1.00 0.00 C ATOM 0 H THR A 32 -9.620 29.443 -13.729 1.00 0.00 H new ATOM 0 HA THR A 32 -8.185 31.100 -13.647 1.00 0.00 H new ATOM 0 HB THR A 32 -6.121 30.898 -15.054 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.692 29.674 -16.762 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.451 28.674 -14.177 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.349 29.617 -12.965 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.159 28.300 -13.846 1.00 0.00 H new ATOM 406 N CYS A 33 -9.784 32.339 -15.588 1.00 0.00 N ATOM 407 CA CYS A 33 -10.240 33.445 -16.427 1.00 0.00 C ATOM 408 C CYS A 33 -9.578 34.771 -16.034 1.00 0.00 C ATOM 409 O CYS A 33 -8.808 34.835 -15.086 1.00 0.00 O ATOM 410 CB CYS A 33 -11.753 33.574 -16.305 1.00 0.00 C ATOM 411 SG CYS A 33 -12.641 32.057 -16.674 1.00 0.00 S ATOM 0 H CYS A 33 -10.512 31.950 -14.988 1.00 0.00 H new ATOM 0 HA CYS A 33 -9.958 33.227 -17.457 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.001 33.892 -15.292 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.097 34.359 -16.979 1.00 0.00 H new ATOM 0 HG CYS A 33 -12.600 31.268 -15.642 1.00 0.00 H new ATOM 416 N ALA A 34 -9.886 35.817 -16.771 1.00 0.00 N ATOM 417 CA ALA A 34 -9.357 37.137 -16.481 1.00 0.00 C ATOM 418 C ALA A 34 -10.471 38.057 -16.005 1.00 0.00 C ATOM 419 O ALA A 34 -10.242 39.221 -15.680 1.00 0.00 O ATOM 420 CB ALA A 34 -8.676 37.717 -17.712 1.00 0.00 C ATOM 0 H ALA A 34 -10.504 35.780 -17.581 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.616 37.050 -15.687 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.284 38.707 -17.479 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.857 37.065 -18.016 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.398 37.795 -18.525 1.00 0.00 H new ATOM 426 N ALA A 35 -11.676 37.517 -15.947 1.00 0.00 N ATOM 427 CA ALA A 35 -12.837 38.285 -15.544 1.00 0.00 C ATOM 428 C ALA A 35 -13.218 37.963 -14.111 1.00 0.00 C ATOM 429 O ALA A 35 -13.090 38.800 -13.221 1.00 0.00 O ATOM 430 CB ALA A 35 -14.003 38.017 -16.484 1.00 0.00 C ATOM 0 H ALA A 35 -11.875 36.543 -16.176 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.587 39.345 -15.600 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.867 38.601 -16.168 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.725 38.301 -17.499 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -14.254 36.956 -16.460 1.00 0.00 H new ATOM 436 N CYS A 36 -13.669 36.742 -13.883 1.00 0.00 N ATOM 437 CA CYS A 36 -14.051 36.327 -12.550 1.00 0.00 C ATOM 438 C CYS A 36 -12.839 35.837 -11.763 1.00 0.00 C ATOM 439 O CYS A 36 -12.889 35.687 -10.544 1.00 0.00 O ATOM 440 CB CYS A 36 -15.136 35.255 -12.614 1.00 0.00 C ATOM 441 SG CYS A 36 -14.774 33.868 -13.716 1.00 0.00 S ATOM 0 H CYS A 36 -13.778 36.026 -14.601 1.00 0.00 H new ATOM 0 HA CYS A 36 -14.459 37.191 -12.025 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -15.303 34.867 -11.609 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -16.068 35.721 -12.935 1.00 0.00 H new ATOM 0 HG CYS A 36 -15.761 33.022 -13.688 1.00 0.00 H new ATOM 446 N LYS A 37 -11.741 35.606 -12.470 1.00 0.00 N ATOM 447 CA LYS A 37 -10.511 35.158 -11.835 1.00 0.00 C ATOM 448 C LYS A 37 -9.500 36.275 -11.768 1.00 0.00 C ATOM 449 O LYS A 37 -8.318 36.093 -12.059 1.00 0.00 O ATOM 450 CB LYS A 37 -9.924 33.931 -12.541 1.00 0.00 C ATOM 451 CG LYS A 37 -10.378 32.608 -11.957 1.00 0.00 C ATOM 452 CD LYS A 37 -11.883 32.513 -11.913 1.00 0.00 C ATOM 453 CE LYS A 37 -12.327 31.318 -11.117 1.00 0.00 C ATOM 454 NZ LYS A 37 -13.764 31.377 -10.799 1.00 0.00 N ATOM 0 H LYS A 37 -11.678 35.721 -13.481 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.760 34.862 -10.816 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.199 33.965 -13.595 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.836 33.983 -12.494 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.978 31.789 -12.554 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.975 32.496 -10.950 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.295 33.421 -11.472 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.276 32.444 -12.927 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.116 30.408 -11.679 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.752 31.263 -10.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.953 30.818 -9.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.043 32.365 -10.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.312 30.989 -11.593 1.00 0.00 H new ATOM 468 N THR A 38 -9.967 37.425 -11.372 1.00 0.00 N ATOM 469 CA THR A 38 -9.116 38.566 -11.228 1.00 0.00 C ATOM 470 C THR A 38 -8.578 38.627 -9.799 1.00 0.00 C ATOM 471 O THR A 38 -9.334 38.514 -8.829 1.00 0.00 O ATOM 472 CB THR A 38 -9.860 39.886 -11.599 1.00 0.00 C ATOM 473 OG1 THR A 38 -8.971 41.005 -11.502 1.00 0.00 O ATOM 474 CG2 THR A 38 -11.071 40.117 -10.701 1.00 0.00 C ATOM 0 H THR A 38 -10.946 37.595 -11.141 1.00 0.00 H new ATOM 0 HA THR A 38 -8.281 38.463 -11.921 1.00 0.00 H new ATOM 0 HB THR A 38 -10.209 39.787 -12.627 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.451 41.826 -11.739 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.565 41.045 -10.988 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.768 39.286 -10.810 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.746 40.185 -9.663 1.00 0.00 H new ATOM 482 N CYS A 39 -7.274 38.750 -9.673 1.00 0.00 N ATOM 483 CA CYS A 39 -6.660 38.845 -8.369 1.00 0.00 C ATOM 484 C CYS A 39 -6.530 40.303 -7.992 1.00 0.00 C ATOM 485 O CYS A 39 -6.141 41.134 -8.817 1.00 0.00 O ATOM 486 CB CYS A 39 -5.287 38.157 -8.351 1.00 0.00 C ATOM 487 SG CYS A 39 -4.512 38.058 -6.711 1.00 0.00 S ATOM 0 H CYS A 39 -6.621 38.786 -10.456 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.290 38.333 -7.641 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.396 37.148 -8.748 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.617 38.694 -9.023 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.220 37.285 -5.942 1.00 0.00 H new ATOM 492 N ASN A 40 -6.876 40.622 -6.768 1.00 0.00 N ATOM 493 CA ASN A 40 -6.816 41.995 -6.301 1.00 0.00 C ATOM 494 C ASN A 40 -5.459 42.302 -5.722 1.00 0.00 C ATOM 495 O ASN A 40 -5.154 43.448 -5.385 1.00 0.00 O ATOM 496 CB ASN A 40 -7.919 42.266 -5.281 1.00 0.00 C ATOM 497 CG ASN A 40 -9.281 42.414 -5.936 1.00 0.00 C ATOM 498 OD1 ASN A 40 -9.710 43.522 -6.255 1.00 0.00 O ATOM 499 ND2 ASN A 40 -9.956 41.303 -6.163 1.00 0.00 N ATOM 0 H ASN A 40 -7.203 39.951 -6.073 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.976 42.654 -7.154 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.952 41.451 -4.558 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.684 43.174 -4.726 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.868 41.344 -6.618 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.566 40.403 -5.883 1.00 0.00 H new ATOM 506 N CYS A 41 -4.644 41.279 -5.616 1.00 0.00 N ATOM 507 CA CYS A 41 -3.309 41.420 -5.112 1.00 0.00 C ATOM 508 C CYS A 41 -2.397 41.917 -6.216 1.00 0.00 C ATOM 509 O CYS A 41 -2.433 41.413 -7.342 1.00 0.00 O ATOM 510 CB CYS A 41 -2.824 40.087 -4.576 1.00 0.00 C ATOM 511 SG CYS A 41 -3.968 39.334 -3.404 1.00 0.00 S ATOM 0 H CYS A 41 -4.894 40.326 -5.879 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.298 42.147 -4.300 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.666 39.403 -5.410 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.858 40.227 -4.092 1.00 0.00 H new ATOM 0 HG CYS A 41 -3.745 38.055 -3.341 1.00 0.00 H new ATOM 516 N THR A 42 -1.600 42.901 -5.903 1.00 0.00 N ATOM 517 CA THR A 42 -0.719 43.489 -6.872 1.00 0.00 C ATOM 518 C THR A 42 0.716 43.123 -6.562 1.00 0.00 C ATOM 519 O THR A 42 1.004 42.566 -5.502 1.00 0.00 O ATOM 520 CB THR A 42 -0.865 45.023 -6.877 1.00 0.00 C ATOM 521 OG1 THR A 42 -0.567 45.539 -5.571 1.00 0.00 O ATOM 522 CG2 THR A 42 -2.280 45.423 -7.267 1.00 0.00 C ATOM 0 H THR A 42 -1.543 43.316 -4.973 1.00 0.00 H new ATOM 0 HA THR A 42 -0.988 43.103 -7.855 1.00 0.00 H new ATOM 0 HB THR A 42 -0.168 45.437 -7.606 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.659 46.515 -5.576 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.364 46.510 -7.265 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.504 45.043 -8.264 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.987 45.003 -6.552 1.00 0.00 H new ATOM 530 N SER A 43 1.614 43.437 -7.475 1.00 0.00 N ATOM 531 CA SER A 43 3.024 43.172 -7.277 1.00 0.00 C ATOM 532 C SER A 43 3.605 44.127 -6.229 1.00 0.00 C ATOM 533 O SER A 43 4.741 43.959 -5.770 1.00 0.00 O ATOM 534 CB SER A 43 3.764 43.313 -8.602 1.00 0.00 C ATOM 535 OG SER A 43 3.168 42.492 -9.600 1.00 0.00 O ATOM 0 H SER A 43 1.389 43.879 -8.367 1.00 0.00 H new ATOM 0 HA SER A 43 3.148 42.153 -6.912 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.749 44.354 -8.924 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.810 43.035 -8.472 1.00 0.00 H new ATOM 0 HG SER A 43 3.655 42.597 -10.444 1.00 0.00 H new ATOM 541 N ASP A 44 2.811 45.125 -5.856 1.00 0.00 N ATOM 542 CA ASP A 44 3.202 46.091 -4.846 1.00 0.00 C ATOM 543 C ASP A 44 2.991 45.508 -3.463 1.00 0.00 C ATOM 544 O ASP A 44 3.820 45.688 -2.565 1.00 0.00 O ATOM 545 CB ASP A 44 2.382 47.379 -4.985 1.00 0.00 C ATOM 546 CG ASP A 44 2.557 48.047 -6.328 1.00 0.00 C ATOM 547 OD1 ASP A 44 3.494 48.849 -6.476 1.00 0.00 O ATOM 548 OD2 ASP A 44 1.746 47.778 -7.244 1.00 0.00 O ATOM 0 H ASP A 44 1.882 45.283 -6.246 1.00 0.00 H new ATOM 0 HA ASP A 44 4.257 46.326 -4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.327 47.150 -4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.673 48.075 -4.198 1.00 0.00 H new ATOM 553 N GLY A 45 1.884 44.798 -3.304 1.00 0.00 N ATOM 554 CA GLY A 45 1.556 44.199 -2.040 1.00 0.00 C ATOM 555 C GLY A 45 0.401 43.232 -2.161 1.00 0.00 C ATOM 556 O GLY A 45 -0.565 43.487 -2.889 1.00 0.00 O ATOM 0 H GLY A 45 1.202 44.628 -4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.428 43.676 -1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.303 44.980 -1.322 1.00 0.00 H new ATOM 560 N CYS A 46 0.509 42.120 -1.472 1.00 0.00 N ATOM 561 CA CYS A 46 -0.523 41.109 -1.484 1.00 0.00 C ATOM 562 C CYS A 46 -1.656 41.496 -0.547 1.00 0.00 C ATOM 563 O CYS A 46 -1.424 41.829 0.618 1.00 0.00 O ATOM 564 CB CYS A 46 0.059 39.768 -1.066 1.00 0.00 C ATOM 565 SG CYS A 46 -1.035 38.370 -1.362 1.00 0.00 S ATOM 0 H CYS A 46 1.313 41.891 -0.888 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.919 41.028 -2.496 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.993 39.605 -1.604 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.305 39.805 -0.005 1.00 0.00 H new ATOM 0 HG CYS A 46 -2.048 38.756 -2.079 1.00 0.00 H new ATOM 570 N LYS A 47 -2.878 41.442 -1.049 1.00 0.00 N ATOM 571 CA LYS A 47 -4.033 41.824 -0.256 1.00 0.00 C ATOM 572 C LYS A 47 -4.596 40.667 0.553 1.00 0.00 C ATOM 573 O LYS A 47 -4.987 40.850 1.707 1.00 0.00 O ATOM 574 CB LYS A 47 -5.120 42.437 -1.131 1.00 0.00 C ATOM 575 CG LYS A 47 -4.768 43.812 -1.656 1.00 0.00 C ATOM 576 CD LYS A 47 -5.927 44.430 -2.410 1.00 0.00 C ATOM 577 CE LYS A 47 -5.623 45.864 -2.802 1.00 0.00 C ATOM 578 NZ LYS A 47 -5.409 46.729 -1.613 1.00 0.00 N ATOM 0 H LYS A 47 -3.095 41.139 -1.998 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.685 42.575 0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.314 41.774 -1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.044 42.502 -0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.486 44.459 -0.825 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.901 43.741 -2.313 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.138 43.843 -3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.824 44.402 -1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.734 45.887 -3.433 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.446 46.260 -3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.541 47.725 -1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.093 46.476 -0.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.443 46.592 -1.254 1.00 0.00 H new ATOM 592 N CYS A 48 -4.634 39.481 -0.028 1.00 0.00 N ATOM 593 CA CYS A 48 -5.196 38.341 0.682 1.00 0.00 C ATOM 594 C CYS A 48 -4.196 37.806 1.694 1.00 0.00 C ATOM 595 O CYS A 48 -4.570 37.315 2.763 1.00 0.00 O ATOM 596 CB CYS A 48 -5.616 37.240 -0.288 1.00 0.00 C ATOM 597 SG CYS A 48 -4.246 36.346 -1.022 1.00 0.00 S ATOM 0 H CYS A 48 -4.291 39.282 -0.968 1.00 0.00 H new ATOM 0 HA CYS A 48 -6.087 38.677 1.212 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.257 36.532 0.238 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.215 37.682 -1.084 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.201 37.118 -1.072 1.00 0.00 H new ATOM 602 N GLY A 49 -2.921 37.905 1.353 1.00 0.00 N ATOM 603 CA GLY A 49 -1.883 37.482 2.254 1.00 0.00 C ATOM 604 C GLY A 49 -1.255 36.168 1.864 1.00 0.00 C ATOM 605 O GLY A 49 -0.347 35.688 2.544 1.00 0.00 O ATOM 0 H GLY A 49 -2.590 38.274 0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.110 38.249 2.293 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.296 37.395 3.259 1.00 0.00 H new ATOM 609 N LYS A 50 -1.716 35.578 0.768 1.00 0.00 N ATOM 610 CA LYS A 50 -1.173 34.297 0.319 1.00 0.00 C ATOM 611 C LYS A 50 0.113 34.497 -0.474 1.00 0.00 C ATOM 612 O LYS A 50 0.740 33.532 -0.918 1.00 0.00 O ATOM 613 CB LYS A 50 -2.205 33.506 -0.494 1.00 0.00 C ATOM 614 CG LYS A 50 -3.526 33.282 0.242 1.00 0.00 C ATOM 615 CD LYS A 50 -3.297 32.834 1.681 1.00 0.00 C ATOM 616 CE LYS A 50 -4.608 32.625 2.419 1.00 0.00 C ATOM 617 NZ LYS A 50 -5.337 31.439 1.922 1.00 0.00 N ATOM 0 H LYS A 50 -2.456 35.959 0.178 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.934 33.710 1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.404 34.036 -1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.780 32.539 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.108 34.204 0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.114 32.530 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.724 31.907 1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.700 33.581 2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.410 32.509 3.485 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.234 33.510 2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.174 31.272 2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.637 31.602 0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.714 30.607 1.960 1.00 0.00 H new ATOM 631 N GLU A 51 0.488 35.770 -0.646 1.00 0.00 N ATOM 632 CA GLU A 51 1.734 36.163 -1.309 1.00 0.00 C ATOM 633 C GLU A 51 1.695 35.846 -2.809 1.00 0.00 C ATOM 634 O GLU A 51 2.734 35.714 -3.462 1.00 0.00 O ATOM 635 CB GLU A 51 2.931 35.484 -0.635 1.00 0.00 C ATOM 636 CG GLU A 51 4.267 36.136 -0.929 1.00 0.00 C ATOM 637 CD GLU A 51 5.413 35.340 -0.374 1.00 0.00 C ATOM 638 OE1 GLU A 51 5.751 35.521 0.810 1.00 0.00 O ATOM 639 OE2 GLU A 51 5.971 34.509 -1.113 1.00 0.00 O ATOM 0 H GLU A 51 -0.070 36.562 -0.326 1.00 0.00 H new ATOM 0 HA GLU A 51 1.845 37.243 -1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.772 35.480 0.443 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.970 34.443 -0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.389 36.244 -2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.283 37.140 -0.504 1.00 0.00 H new ATOM 646 N CYS A 52 0.499 35.744 -3.350 1.00 0.00 N ATOM 647 CA CYS A 52 0.326 35.494 -4.764 1.00 0.00 C ATOM 648 C CYS A 52 0.725 36.727 -5.561 1.00 0.00 C ATOM 649 O CYS A 52 1.473 36.636 -6.534 1.00 0.00 O ATOM 650 CB CYS A 52 -1.118 35.116 -5.044 1.00 0.00 C ATOM 651 SG CYS A 52 -2.307 36.108 -4.129 1.00 0.00 S ATOM 0 H CYS A 52 -0.372 35.831 -2.827 1.00 0.00 H new ATOM 0 HA CYS A 52 0.967 34.666 -5.068 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.313 35.222 -6.111 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.265 34.065 -4.795 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.039 36.786 -4.962 1.00 0.00 H new ATOM 656 N THR A 53 0.225 37.887 -5.115 1.00 0.00 N ATOM 657 CA THR A 53 0.535 39.198 -5.711 1.00 0.00 C ATOM 658 C THR A 53 0.321 39.228 -7.226 1.00 0.00 C ATOM 659 O THR A 53 1.000 39.966 -7.948 1.00 0.00 O ATOM 660 CB THR A 53 1.975 39.670 -5.360 1.00 0.00 C ATOM 661 OG1 THR A 53 2.949 38.691 -5.747 1.00 0.00 O ATOM 662 CG2 THR A 53 2.094 39.927 -3.873 1.00 0.00 C ATOM 0 H THR A 53 -0.413 37.945 -4.322 1.00 0.00 H new ATOM 0 HA THR A 53 -0.174 39.897 -5.268 1.00 0.00 H new ATOM 0 HB THR A 53 2.165 40.592 -5.910 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.549 38.067 -6.388 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.107 40.257 -3.641 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.384 40.700 -3.579 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.877 39.009 -3.327 1.00 0.00 H new ATOM 670 N GLY A 54 -0.636 38.455 -7.695 1.00 0.00 N ATOM 671 CA GLY A 54 -0.914 38.411 -9.103 1.00 0.00 C ATOM 672 C GLY A 54 -1.653 37.150 -9.493 1.00 0.00 C ATOM 673 O GLY A 54 -1.409 36.092 -8.917 1.00 0.00 O ATOM 0 H GLY A 54 -1.228 37.854 -7.121 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.508 39.281 -9.383 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.021 38.471 -9.660 1.00 0.00 H new ATOM 677 N PRO A 55 -2.555 37.229 -10.487 1.00 0.00 N ATOM 678 CA PRO A 55 -3.376 36.084 -10.915 1.00 0.00 C ATOM 679 C PRO A 55 -2.558 34.951 -11.532 1.00 0.00 C ATOM 680 O PRO A 55 -2.916 33.778 -11.407 1.00 0.00 O ATOM 681 CB PRO A 55 -4.319 36.686 -11.957 1.00 0.00 C ATOM 682 CG PRO A 55 -3.624 37.911 -12.444 1.00 0.00 C ATOM 683 CD PRO A 55 -2.848 38.441 -11.275 1.00 0.00 C ATOM 0 HA PRO A 55 -3.884 35.625 -10.067 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.504 35.987 -12.772 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.287 36.929 -11.519 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.962 37.678 -13.278 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.341 38.649 -12.803 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.935 38.945 -11.593 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.428 39.164 -10.701 1.00 0.00 H new ATOM 691 N ASP A 56 -1.454 35.296 -12.176 1.00 0.00 N ATOM 692 CA ASP A 56 -0.613 34.293 -12.820 1.00 0.00 C ATOM 693 C ASP A 56 0.206 33.541 -11.784 1.00 0.00 C ATOM 694 O ASP A 56 0.714 32.454 -12.040 1.00 0.00 O ATOM 695 CB ASP A 56 0.304 34.942 -13.859 1.00 0.00 C ATOM 696 CG ASP A 56 1.118 33.925 -14.630 1.00 0.00 C ATOM 697 OD1 ASP A 56 2.341 33.836 -14.403 1.00 0.00 O ATOM 698 OD2 ASP A 56 0.542 33.210 -15.473 1.00 0.00 O ATOM 0 H ASP A 56 -1.119 36.255 -12.268 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.261 33.582 -13.332 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.298 35.525 -14.556 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.978 35.639 -13.360 1.00 0.00 H new ATOM 703 N SER A 57 0.311 34.120 -10.606 1.00 0.00 N ATOM 704 CA SER A 57 1.050 33.518 -9.516 1.00 0.00 C ATOM 705 C SER A 57 0.113 33.214 -8.353 1.00 0.00 C ATOM 706 O SER A 57 0.551 33.016 -7.219 1.00 0.00 O ATOM 707 CB SER A 57 2.158 34.463 -9.070 1.00 0.00 C ATOM 708 OG SER A 57 2.955 34.853 -10.175 1.00 0.00 O ATOM 0 H SER A 57 -0.113 35.019 -10.377 1.00 0.00 H new ATOM 0 HA SER A 57 1.495 32.582 -9.855 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.724 35.345 -8.599 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.780 33.975 -8.320 1.00 0.00 H new ATOM 0 HG SER A 57 3.661 35.461 -9.871 1.00 0.00 H new ATOM 714 N CYS A 58 -1.177 33.173 -8.646 1.00 0.00 N ATOM 715 CA CYS A 58 -2.179 32.927 -7.637 1.00 0.00 C ATOM 716 C CYS A 58 -2.160 31.469 -7.207 1.00 0.00 C ATOM 717 O CYS A 58 -2.174 30.564 -8.043 1.00 0.00 O ATOM 718 CB CYS A 58 -3.553 33.312 -8.165 1.00 0.00 C ATOM 719 SG CYS A 58 -4.586 34.155 -6.960 1.00 0.00 S ATOM 0 H CYS A 58 -1.551 33.309 -9.585 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.955 33.540 -6.764 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.429 33.955 -9.036 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.067 32.412 -8.503 1.00 0.00 H new ATOM 0 HG CYS A 58 -4.542 33.516 -5.829 1.00 0.00 H new ATOM 724 N LYS A 59 -2.123 31.245 -5.901 1.00 0.00 N ATOM 725 CA LYS A 59 -2.056 29.892 -5.359 1.00 0.00 C ATOM 726 C LYS A 59 -3.337 29.553 -4.599 1.00 0.00 C ATOM 727 O LYS A 59 -3.441 28.499 -3.974 1.00 0.00 O ATOM 728 CB LYS A 59 -0.846 29.758 -4.417 1.00 0.00 C ATOM 729 CG LYS A 59 0.474 30.268 -5.005 1.00 0.00 C ATOM 730 CD LYS A 59 0.907 29.490 -6.251 1.00 0.00 C ATOM 731 CE LYS A 59 1.641 28.190 -5.909 1.00 0.00 C ATOM 732 NZ LYS A 59 0.781 27.206 -5.205 1.00 0.00 N ATOM 0 H LYS A 59 -2.138 31.982 -5.196 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.945 29.196 -6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.055 30.304 -3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.727 28.709 -4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.370 31.323 -5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.255 30.197 -4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.029 29.259 -6.854 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.555 30.119 -6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.020 27.741 -6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.505 28.420 -5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.095 26.242 -5.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.851 27.356 -4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.207 27.330 -5.506 1.00 0.00 H new ATOM 746 N CYS A 60 -4.303 30.442 -4.668 1.00 0.00 N ATOM 747 CA CYS A 60 -5.554 30.268 -3.955 1.00 0.00 C ATOM 748 C CYS A 60 -6.756 30.301 -4.902 1.00 0.00 C ATOM 749 O CYS A 60 -6.672 30.833 -6.018 1.00 0.00 O ATOM 750 CB CYS A 60 -5.674 31.336 -2.875 1.00 0.00 C ATOM 751 SG CYS A 60 -4.943 32.922 -3.337 1.00 0.00 S ATOM 0 H CYS A 60 -4.247 31.301 -5.215 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.552 29.284 -3.486 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.728 31.486 -2.641 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.193 30.976 -1.965 1.00 0.00 H new ATOM 0 HG CYS A 60 -5.862 33.842 -3.330 1.00 0.00 H new ATOM 756 N GLY A 61 -7.873 29.736 -4.447 1.00 0.00 N ATOM 757 CA GLY A 61 -9.073 29.651 -5.262 1.00 0.00 C ATOM 758 C GLY A 61 -9.844 30.955 -5.353 1.00 0.00 C ATOM 759 O GLY A 61 -9.338 32.016 -4.997 1.00 0.00 O ATOM 0 H GLY A 61 -7.967 29.331 -3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.797 29.332 -6.267 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.726 28.881 -4.851 1.00 0.00 H new ATOM 763 N SER A 62 -11.085 30.860 -5.811 1.00 0.00 N ATOM 764 CA SER A 62 -11.939 32.019 -6.029 1.00 0.00 C ATOM 765 C SER A 62 -12.672 32.427 -4.758 1.00 0.00 C ATOM 766 O SER A 62 -13.279 33.493 -4.696 1.00 0.00 O ATOM 767 CB SER A 62 -12.948 31.700 -7.118 1.00 0.00 C ATOM 768 OG SER A 62 -12.316 31.032 -8.189 1.00 0.00 O ATOM 0 H SER A 62 -11.530 29.972 -6.043 1.00 0.00 H new ATOM 0 HA SER A 62 -11.307 32.854 -6.331 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.747 31.078 -6.713 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.410 32.620 -7.476 1.00 0.00 H new ATOM 0 HG SER A 62 -12.706 30.139 -8.294 1.00 0.00 H new ATOM 774 N SER A 63 -12.607 31.588 -3.748 1.00 0.00 N ATOM 775 CA SER A 63 -13.262 31.872 -2.489 1.00 0.00 C ATOM 776 C SER A 63 -12.326 32.648 -1.567 1.00 0.00 C ATOM 777 O SER A 63 -12.590 32.801 -0.372 1.00 0.00 O ATOM 778 CB SER A 63 -13.707 30.568 -1.830 1.00 0.00 C ATOM 779 OG SER A 63 -14.509 29.802 -2.721 1.00 0.00 O ATOM 0 H SER A 63 -12.105 30.700 -3.774 1.00 0.00 H new ATOM 0 HA SER A 63 -14.142 32.487 -2.677 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.833 29.989 -1.531 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.270 30.787 -0.923 1.00 0.00 H new ATOM 0 HG SER A 63 -14.783 28.970 -2.282 1.00 0.00 H new ATOM 785 N CYS A 64 -11.239 33.152 -2.131 1.00 0.00 N ATOM 786 CA CYS A 64 -10.274 33.876 -1.362 1.00 0.00 C ATOM 787 C CYS A 64 -10.610 35.370 -1.356 1.00 0.00 C ATOM 788 O CYS A 64 -11.476 35.825 -2.110 1.00 0.00 O ATOM 789 CB CYS A 64 -8.878 33.626 -1.920 1.00 0.00 C ATOM 790 SG CYS A 64 -7.552 34.117 -0.811 1.00 0.00 S ATOM 0 H CYS A 64 -11.015 33.065 -3.122 1.00 0.00 H new ATOM 0 HA CYS A 64 -10.299 33.526 -0.330 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.773 32.565 -2.149 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.771 34.167 -2.860 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.405 33.867 -1.369 1.00 0.00 H new ATOM 795 N SER A 65 -9.922 36.125 -0.522 1.00 0.00 N ATOM 796 CA SER A 65 -10.186 37.545 -0.367 1.00 0.00 C ATOM 797 C SER A 65 -9.633 38.373 -1.528 1.00 0.00 C ATOM 798 O SER A 65 -10.019 39.531 -1.714 1.00 0.00 O ATOM 799 CB SER A 65 -9.619 38.023 0.957 1.00 0.00 C ATOM 800 OG SER A 65 -8.377 37.400 1.220 1.00 0.00 O ATOM 0 H SER A 65 -9.166 35.774 0.066 1.00 0.00 H new ATOM 0 HA SER A 65 -11.267 37.688 -0.375 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.492 39.105 0.935 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.321 37.801 1.761 1.00 0.00 H new ATOM 0 HG SER A 65 -8.025 37.721 2.076 1.00 0.00 H new ATOM 806 N CYS A 66 -8.740 37.791 -2.310 1.00 0.00 N ATOM 807 CA CYS A 66 -8.181 38.489 -3.460 1.00 0.00 C ATOM 808 C CYS A 66 -9.059 38.296 -4.685 1.00 0.00 C ATOM 809 O CYS A 66 -8.752 38.787 -5.765 1.00 0.00 O ATOM 810 CB CYS A 66 -6.764 37.997 -3.754 1.00 0.00 C ATOM 811 SG CYS A 66 -6.618 36.214 -4.003 1.00 0.00 S ATOM 0 H CYS A 66 -8.387 36.844 -2.173 1.00 0.00 H new ATOM 0 HA CYS A 66 -8.141 39.552 -3.221 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.395 38.506 -4.645 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -6.115 38.289 -2.929 1.00 0.00 H new ATOM 0 HG CYS A 66 -6.941 35.595 -2.906 1.00 0.00 H new ATOM 816 N LYS A 67 -10.164 37.606 -4.502 1.00 0.00 N ATOM 817 CA LYS A 67 -11.061 37.278 -5.597 1.00 0.00 C ATOM 818 C LYS A 67 -12.348 38.094 -5.510 1.00 0.00 C ATOM 819 O LYS A 67 -13.108 37.889 -4.520 1.00 0.00 O ATOM 820 CB LYS A 67 -11.365 35.784 -5.554 1.00 0.00 C ATOM 821 CG LYS A 67 -10.112 34.927 -5.460 1.00 0.00 C ATOM 822 CD LYS A 67 -9.394 34.831 -6.795 1.00 0.00 C ATOM 823 CE LYS A 67 -7.886 34.870 -6.620 1.00 0.00 C ATOM 824 NZ LYS A 67 -7.361 33.769 -5.765 1.00 0.00 N ATOM 0 H LYS A 67 -10.468 37.256 -3.594 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.581 37.525 -6.544 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.008 35.574 -4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.923 35.506 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.438 35.349 -4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.380 33.927 -5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.679 33.907 -7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.708 35.653 -7.438 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.412 34.816 -7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.603 35.827 -6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.481 33.399 -6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.170 34.133 -4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.065 33.006 -5.710 1.00 0.00 H new