USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=36 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 69:sc= -0.124 USER MOD Set 1.2: A 41 CYS SG : rot 162:sc= 0.566 USER MOD Set 1.3: A 46 CYS SG : rot 12:sc= 2.08 USER MOD Set 1.4: A 48 CYS SG : rot -32:sc= -1.04! USER MOD Set 1.5: A 52 CYS SG : rot 125:sc= 0.561 USER MOD Set 1.6: A 58 CYS SG : rot 102:sc= 0.424 USER MOD Set 1.7: A 60 CYS SG : rot 147:sc= -4.9! USER MOD Set 1.8: A 64 CYS SG : rot 179:sc= -0.302 USER MOD Set 1.9: A 66 CYS SG : rot -63:sc= -3.11! USER MOD Set 1.10: A 67 LYS NZ :NH3+ 170:sc= 1.01 (180deg=0) USER MOD Set 2.1: A 10 CYS SG : rot -106:sc= -0.128 USER MOD Set 2.2: A 14 CYS SG : rot 42:sc= 0.173 USER MOD Set 2.3: A 19 CYS SG : rot 132:sc= -0.773 USER MOD Set 2.4: A 21 CYS SG : rot 176:sc= -3.32! USER MOD Set 2.5: A 25 CYS SG : rot 73:sc= 0.755 USER MOD Set 2.6: A 27 CYS SG : rot -41:sc= -0.233! USER MOD Set 2.7: A 31 CYS SG : rot 116:sc= -0.0841 USER MOD Set 2.8: A 33 CYS SG : rot 147:sc= 0.33 USER MOD Set 2.9: A 36 CYS SG : rot -136:sc= -0.0496 USER MOD Set 2.10: A 37 LYS NZ :NH3+ 168:sc= 1.73 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -110:sc= 0.894 (180deg=-0.433) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0991 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.698 K(o=-0.7,f=-5.5!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0337 X(o=-0.034,f=-0.056) USER MOD Single : A 32 THR OG1 : rot 17:sc= 0.771 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.934 K(o=0.93,f=0) USER MOD Single : A 42 THR OG1 : rot -14:sc= 0.899 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= -1.8! (180deg=-2.76!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 13:sc= 0.825 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= 0.957 (180deg=0.852) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0124 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N LYS A 9 -19.126 23.184 -14.118 1.00 0.00 N ATOM 99 CA LYS A 9 -19.651 23.747 -12.887 1.00 0.00 C ATOM 100 C LYS A 9 -19.794 25.248 -13.023 1.00 0.00 C ATOM 101 O LYS A 9 -19.696 25.986 -12.043 1.00 0.00 O ATOM 102 CB LYS A 9 -18.742 23.403 -11.693 1.00 0.00 C ATOM 103 CG LYS A 9 -18.682 21.914 -11.370 1.00 0.00 C ATOM 104 CD LYS A 9 -17.976 21.643 -10.044 1.00 0.00 C ATOM 105 CE LYS A 9 -16.502 22.010 -10.090 1.00 0.00 C ATOM 106 NZ LYS A 9 -15.821 21.721 -8.799 1.00 0.00 N ATOM 0 HA LYS A 9 -20.633 23.312 -12.701 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -17.734 23.760 -11.902 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -19.095 23.941 -10.813 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -19.694 21.511 -11.331 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -18.161 21.390 -12.171 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -18.465 22.210 -9.252 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -18.078 20.588 -9.790 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.014 21.455 -10.891 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.398 23.069 -10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.575 22.615 -8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.457 21.171 -8.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.954 21.175 -8.978 1.00 0.00 H new ATOM 120 N CYS A 10 -20.030 25.698 -14.237 1.00 0.00 N ATOM 121 CA CYS A 10 -20.176 27.109 -14.494 1.00 0.00 C ATOM 122 C CYS A 10 -21.618 27.553 -14.507 1.00 0.00 C ATOM 123 O CYS A 10 -22.547 26.747 -14.594 1.00 0.00 O ATOM 124 CB CYS A 10 -19.511 27.521 -15.801 1.00 0.00 C ATOM 125 SG CYS A 10 -17.758 27.890 -15.649 1.00 0.00 S ATOM 0 H CYS A 10 -20.124 25.104 -15.061 1.00 0.00 H new ATOM 0 HA CYS A 10 -19.673 27.607 -13.665 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -19.641 26.721 -16.530 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -20.023 28.399 -16.196 1.00 0.00 H new ATOM 0 HG CYS A 10 -17.576 29.175 -15.730 1.00 0.00 H new ATOM 130 N THR A 11 -21.782 28.844 -14.421 1.00 0.00 N ATOM 131 CA THR A 11 -23.063 29.475 -14.496 1.00 0.00 C ATOM 132 C THR A 11 -23.245 30.044 -15.897 1.00 0.00 C ATOM 133 O THR A 11 -22.259 30.230 -16.626 1.00 0.00 O ATOM 134 CB THR A 11 -23.174 30.609 -13.440 1.00 0.00 C ATOM 135 OG1 THR A 11 -24.316 31.437 -13.696 1.00 0.00 O ATOM 136 CG2 THR A 11 -21.909 31.461 -13.425 1.00 0.00 C ATOM 0 H THR A 11 -21.009 29.498 -14.294 1.00 0.00 H new ATOM 0 HA THR A 11 -23.843 28.742 -14.288 1.00 0.00 H new ATOM 0 HB THR A 11 -23.294 30.141 -12.463 1.00 0.00 H new ATOM 0 HG1 THR A 11 -24.367 32.143 -13.018 1.00 0.00 H new ATOM 0 HG21 THR A 11 -22.010 32.249 -12.678 1.00 0.00 H new ATOM 0 HG22 THR A 11 -21.051 30.835 -13.179 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.761 31.909 -14.407 1.00 0.00 H new ATOM 144 N SER A 12 -24.481 30.319 -16.276 1.00 0.00 N ATOM 145 CA SER A 12 -24.780 30.865 -17.590 1.00 0.00 C ATOM 146 C SER A 12 -24.042 32.191 -17.800 1.00 0.00 C ATOM 147 O SER A 12 -23.664 32.534 -18.919 1.00 0.00 O ATOM 148 CB SER A 12 -26.292 31.060 -17.747 1.00 0.00 C ATOM 149 OG SER A 12 -26.624 31.462 -19.064 1.00 0.00 O ATOM 0 H SER A 12 -25.301 30.172 -15.687 1.00 0.00 H new ATOM 0 HA SER A 12 -24.438 30.160 -18.348 1.00 0.00 H new ATOM 0 HB2 SER A 12 -26.808 30.130 -17.507 1.00 0.00 H new ATOM 0 HB3 SER A 12 -26.640 31.810 -17.037 1.00 0.00 H new ATOM 0 HG SER A 12 -27.595 31.577 -19.136 1.00 0.00 H new ATOM 155 N ALA A 13 -23.825 32.917 -16.709 1.00 0.00 N ATOM 156 CA ALA A 13 -23.125 34.190 -16.760 1.00 0.00 C ATOM 157 C ALA A 13 -21.663 33.998 -17.148 1.00 0.00 C ATOM 158 O ALA A 13 -21.089 34.816 -17.852 1.00 0.00 O ATOM 159 CB ALA A 13 -23.215 34.890 -15.413 1.00 0.00 C ATOM 0 H ALA A 13 -24.127 32.641 -15.774 1.00 0.00 H new ATOM 0 HA ALA A 13 -23.602 34.808 -17.521 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -22.687 35.843 -15.462 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -24.261 35.067 -15.164 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -22.761 34.263 -14.646 1.00 0.00 H new ATOM 165 N CYS A 14 -21.074 32.908 -16.705 1.00 0.00 N ATOM 166 CA CYS A 14 -19.669 32.665 -16.962 1.00 0.00 C ATOM 167 C CYS A 14 -19.463 31.981 -18.301 1.00 0.00 C ATOM 168 O CYS A 14 -18.440 32.177 -18.958 1.00 0.00 O ATOM 169 CB CYS A 14 -19.058 31.830 -15.852 1.00 0.00 C ATOM 170 SG CYS A 14 -17.260 31.855 -15.844 1.00 0.00 S ATOM 0 H CYS A 14 -21.543 32.179 -16.168 1.00 0.00 H new ATOM 0 HA CYS A 14 -19.168 33.633 -16.993 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -19.423 32.194 -14.891 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -19.399 30.800 -15.953 1.00 0.00 H new ATOM 0 HG CYS A 14 -16.842 33.066 -16.062 1.00 0.00 H new ATOM 175 N ARG A 15 -20.441 31.185 -18.714 1.00 0.00 N ATOM 176 CA ARG A 15 -20.346 30.488 -19.986 1.00 0.00 C ATOM 177 C ARG A 15 -20.642 31.446 -21.138 1.00 0.00 C ATOM 178 O ARG A 15 -20.472 31.104 -22.307 1.00 0.00 O ATOM 179 CB ARG A 15 -21.288 29.276 -20.029 1.00 0.00 C ATOM 180 CG ARG A 15 -20.952 28.293 -21.146 1.00 0.00 C ATOM 181 CD ARG A 15 -21.859 27.074 -21.130 1.00 0.00 C ATOM 182 NE ARG A 15 -23.231 27.388 -21.534 1.00 0.00 N ATOM 183 CZ ARG A 15 -24.165 26.463 -21.778 1.00 0.00 C ATOM 184 NH1 ARG A 15 -23.866 25.169 -21.664 1.00 0.00 N ATOM 185 NH2 ARG A 15 -25.393 26.828 -22.146 1.00 0.00 N ATOM 0 H ARG A 15 -21.299 31.008 -18.192 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.327 30.117 -20.094 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -21.245 28.757 -19.072 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -22.313 29.625 -20.157 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -21.039 28.796 -22.109 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.915 27.973 -21.046 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -21.452 26.314 -21.798 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -21.868 26.646 -20.128 1.00 0.00 H new ATOM 0 HE ARG A 15 -23.489 28.370 -21.635 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -22.925 24.885 -21.391 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -24.578 24.463 -21.850 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -25.624 27.817 -22.243 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -26.102 26.118 -22.331 1.00 0.00 H new ATOM 199 N SER A 16 -21.083 32.645 -20.797 1.00 0.00 N ATOM 200 CA SER A 16 -21.345 33.654 -21.783 1.00 0.00 C ATOM 201 C SER A 16 -20.074 34.451 -22.016 1.00 0.00 C ATOM 202 O SER A 16 -19.150 34.415 -21.195 1.00 0.00 O ATOM 203 CB SER A 16 -22.479 34.574 -21.320 1.00 0.00 C ATOM 204 OG SER A 16 -22.897 35.451 -22.356 1.00 0.00 O ATOM 0 H SER A 16 -21.265 32.935 -19.836 1.00 0.00 H new ATOM 0 HA SER A 16 -21.657 33.183 -22.715 1.00 0.00 H new ATOM 0 HB2 SER A 16 -23.325 33.971 -20.989 1.00 0.00 H new ATOM 0 HB3 SER A 16 -22.147 35.157 -20.461 1.00 0.00 H new ATOM 0 HG SER A 16 -23.622 36.023 -22.028 1.00 0.00 H new ATOM 210 N GLU A 17 -20.016 35.153 -23.117 1.00 0.00 N ATOM 211 CA GLU A 17 -18.849 35.935 -23.451 1.00 0.00 C ATOM 212 C GLU A 17 -19.254 37.363 -23.788 1.00 0.00 C ATOM 213 O GLU A 17 -20.152 37.580 -24.607 1.00 0.00 O ATOM 214 CB GLU A 17 -18.093 35.286 -24.612 1.00 0.00 C ATOM 215 CG GLU A 17 -17.708 33.838 -24.337 1.00 0.00 C ATOM 216 CD GLU A 17 -16.950 33.201 -25.467 1.00 0.00 C ATOM 217 OE1 GLU A 17 -17.542 33.006 -26.555 1.00 0.00 O ATOM 218 OE2 GLU A 17 -15.761 32.875 -25.280 1.00 0.00 O ATOM 0 H GLU A 17 -20.768 35.201 -23.804 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.182 35.967 -22.590 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.711 35.328 -25.509 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.192 35.863 -24.819 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -17.102 33.796 -23.432 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.611 33.260 -24.143 1.00 0.00 H new ATOM 225 N PRO A 18 -18.607 38.368 -23.165 1.00 0.00 N ATOM 226 CA PRO A 18 -17.505 38.158 -22.206 1.00 0.00 C ATOM 227 C PRO A 18 -17.964 37.509 -20.895 1.00 0.00 C ATOM 228 O PRO A 18 -19.154 37.328 -20.662 1.00 0.00 O ATOM 229 CB PRO A 18 -16.995 39.578 -21.941 1.00 0.00 C ATOM 230 CG PRO A 18 -18.166 40.452 -22.213 1.00 0.00 C ATOM 231 CD PRO A 18 -18.914 39.797 -23.338 1.00 0.00 C ATOM 0 HA PRO A 18 -16.753 37.477 -22.605 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.647 39.689 -20.914 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.156 39.826 -22.591 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.796 40.548 -21.329 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.848 41.457 -22.488 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -19.985 39.989 -23.274 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -18.582 40.165 -24.309 1.00 0.00 H new ATOM 239 N CYS A 19 -17.000 37.169 -20.057 1.00 0.00 N ATOM 240 CA CYS A 19 -17.255 36.521 -18.780 1.00 0.00 C ATOM 241 C CYS A 19 -18.079 37.424 -17.864 1.00 0.00 C ATOM 242 O CYS A 19 -17.628 38.498 -17.462 1.00 0.00 O ATOM 243 CB CYS A 19 -15.920 36.156 -18.125 1.00 0.00 C ATOM 244 SG CYS A 19 -16.049 35.424 -16.483 1.00 0.00 S ATOM 0 H CYS A 19 -16.011 37.336 -20.244 1.00 0.00 H new ATOM 0 HA CYS A 19 -17.833 35.613 -18.950 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.392 35.459 -18.776 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -15.308 37.055 -18.058 1.00 0.00 H new ATOM 0 HG CYS A 19 -15.303 34.361 -16.422 1.00 0.00 H new ATOM 249 N GLN A 20 -19.285 36.987 -17.540 1.00 0.00 N ATOM 250 CA GLN A 20 -20.187 37.778 -16.718 1.00 0.00 C ATOM 251 C GLN A 20 -20.306 37.194 -15.319 1.00 0.00 C ATOM 252 O GLN A 20 -21.205 37.555 -14.563 1.00 0.00 O ATOM 253 CB GLN A 20 -21.567 37.843 -17.366 1.00 0.00 C ATOM 254 CG GLN A 20 -21.538 38.109 -18.862 1.00 0.00 C ATOM 255 CD GLN A 20 -20.997 39.491 -19.229 1.00 0.00 C ATOM 256 OE1 GLN A 20 -20.180 40.077 -18.513 1.00 0.00 O ATOM 257 NE2 GLN A 20 -21.445 40.010 -20.350 1.00 0.00 N ATOM 0 H GLN A 20 -19.663 36.087 -17.834 1.00 0.00 H new ATOM 0 HA GLN A 20 -19.775 38.784 -16.639 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.086 36.902 -17.185 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -22.148 38.626 -16.880 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -20.925 37.348 -19.346 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -22.547 38.006 -19.260 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -22.120 39.496 -20.916 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -21.118 40.927 -20.654 1.00 0.00 H new ATOM 266 N CYS A 21 -19.395 36.292 -14.972 1.00 0.00 N ATOM 267 CA CYS A 21 -19.398 35.677 -13.644 1.00 0.00 C ATOM 268 C CYS A 21 -19.025 36.746 -12.600 1.00 0.00 C ATOM 269 O CYS A 21 -19.321 36.612 -11.412 1.00 0.00 O ATOM 270 CB CYS A 21 -18.422 34.483 -13.608 1.00 0.00 C ATOM 271 SG CYS A 21 -18.751 33.226 -12.333 1.00 0.00 S ATOM 0 H CYS A 21 -18.647 35.970 -15.586 1.00 0.00 H new ATOM 0 HA CYS A 21 -20.391 35.292 -13.411 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -18.438 33.996 -14.583 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.413 34.868 -13.460 1.00 0.00 H new ATOM 0 HG CYS A 21 -17.917 32.239 -12.472 1.00 0.00 H new ATOM 276 N GLY A 22 -18.377 37.812 -13.086 1.00 0.00 N ATOM 277 CA GLY A 22 -18.049 38.968 -12.272 1.00 0.00 C ATOM 278 C GLY A 22 -17.128 38.674 -11.114 1.00 0.00 C ATOM 279 O GLY A 22 -16.339 37.732 -11.150 1.00 0.00 O ATOM 0 H GLY A 22 -18.069 37.888 -14.056 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.586 39.724 -12.906 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.973 39.399 -11.885 1.00 0.00 H new ATOM 283 N SER A 23 -17.227 39.497 -10.093 1.00 0.00 N ATOM 284 CA SER A 23 -16.426 39.348 -8.904 1.00 0.00 C ATOM 285 C SER A 23 -17.139 38.457 -7.899 1.00 0.00 C ATOM 286 O SER A 23 -16.561 38.049 -6.891 1.00 0.00 O ATOM 287 CB SER A 23 -16.149 40.714 -8.297 1.00 0.00 C ATOM 288 OG SER A 23 -15.530 41.572 -9.248 1.00 0.00 O ATOM 0 H SER A 23 -17.868 40.290 -10.067 1.00 0.00 H new ATOM 0 HA SER A 23 -15.478 38.880 -9.169 1.00 0.00 H new ATOM 0 HB2 SER A 23 -17.082 41.159 -7.951 1.00 0.00 H new ATOM 0 HB3 SER A 23 -15.505 40.606 -7.424 1.00 0.00 H new ATOM 0 HG SER A 23 -15.362 42.446 -8.839 1.00 0.00 H new ATOM 294 N LYS A 24 -18.403 38.162 -8.176 1.00 0.00 N ATOM 295 CA LYS A 24 -19.172 37.286 -7.320 1.00 0.00 C ATOM 296 C LYS A 24 -18.744 35.851 -7.561 1.00 0.00 C ATOM 297 O LYS A 24 -18.611 35.067 -6.618 1.00 0.00 O ATOM 298 CB LYS A 24 -20.680 37.462 -7.560 1.00 0.00 C ATOM 299 CG LYS A 24 -21.111 37.266 -9.003 1.00 0.00 C ATOM 300 CD LYS A 24 -22.613 37.422 -9.172 1.00 0.00 C ATOM 301 CE LYS A 24 -23.067 38.837 -8.859 1.00 0.00 C ATOM 302 NZ LYS A 24 -24.522 39.005 -9.062 1.00 0.00 N ATOM 0 H LYS A 24 -18.911 38.518 -8.986 1.00 0.00 H new ATOM 0 HA LYS A 24 -18.980 37.545 -6.279 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -21.221 36.754 -6.932 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -20.973 38.461 -7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -20.597 37.989 -9.637 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -20.809 36.275 -9.341 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -22.893 37.167 -10.194 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -23.128 36.720 -8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -22.814 39.080 -7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -22.528 39.540 -9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -24.793 39.984 -8.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -24.760 38.798 -10.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -25.037 38.352 -8.438 1.00 0.00 H new ATOM 316 N CYS A 25 -18.510 35.531 -8.841 1.00 0.00 N ATOM 317 CA CYS A 25 -18.029 34.235 -9.256 1.00 0.00 C ATOM 318 C CYS A 25 -18.949 33.113 -8.776 1.00 0.00 C ATOM 319 O CYS A 25 -18.742 32.521 -7.712 1.00 0.00 O ATOM 320 CB CYS A 25 -16.604 34.023 -8.769 1.00 0.00 C ATOM 321 SG CYS A 25 -15.758 32.670 -9.577 1.00 0.00 S ATOM 0 H CYS A 25 -18.655 36.181 -9.614 1.00 0.00 H new ATOM 0 HA CYS A 25 -18.031 34.206 -10.346 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -16.036 34.940 -8.926 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -16.621 33.839 -7.695 1.00 0.00 H new ATOM 0 HG CYS A 25 -15.464 33.009 -10.797 1.00 0.00 H new ATOM 326 N GLN A 26 -19.964 32.829 -9.569 1.00 0.00 N ATOM 327 CA GLN A 26 -20.948 31.818 -9.219 1.00 0.00 C ATOM 328 C GLN A 26 -20.538 30.437 -9.730 1.00 0.00 C ATOM 329 O GLN A 26 -21.192 29.435 -9.424 1.00 0.00 O ATOM 330 CB GLN A 26 -22.322 32.195 -9.778 1.00 0.00 C ATOM 331 CG GLN A 26 -22.794 33.589 -9.388 1.00 0.00 C ATOM 332 CD GLN A 26 -22.889 33.781 -7.886 1.00 0.00 C ATOM 333 OE1 GLN A 26 -21.931 34.198 -7.239 1.00 0.00 O ATOM 334 NE2 GLN A 26 -24.042 33.482 -7.327 1.00 0.00 N ATOM 0 H GLN A 26 -20.131 33.286 -10.465 1.00 0.00 H new ATOM 0 HA GLN A 26 -21.003 31.774 -8.131 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -22.291 32.125 -10.865 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -23.055 31.466 -9.433 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.108 34.328 -9.801 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -23.770 33.775 -9.836 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -24.813 33.139 -7.900 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -24.165 33.594 -6.321 1.00 0.00 H new ATOM 343 N CYS A 27 -19.468 30.380 -10.514 1.00 0.00 N ATOM 344 CA CYS A 27 -19.010 29.108 -11.048 1.00 0.00 C ATOM 345 C CYS A 27 -18.105 28.401 -10.050 1.00 0.00 C ATOM 346 O CYS A 27 -17.577 29.020 -9.114 1.00 0.00 O ATOM 347 CB CYS A 27 -18.275 29.291 -12.379 1.00 0.00 C ATOM 348 SG CYS A 27 -16.614 29.967 -12.233 1.00 0.00 S ATOM 0 H CYS A 27 -18.910 31.188 -10.790 1.00 0.00 H new ATOM 0 HA CYS A 27 -19.892 28.493 -11.227 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -18.217 28.326 -12.882 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -18.865 29.948 -13.017 1.00 0.00 H new ATOM 0 HG CYS A 27 -16.606 30.909 -11.337 1.00 0.00 H new ATOM 353 N GLY A 28 -17.929 27.115 -10.254 1.00 0.00 N ATOM 354 CA GLY A 28 -17.092 26.332 -9.373 1.00 0.00 C ATOM 355 C GLY A 28 -15.652 26.258 -9.846 1.00 0.00 C ATOM 356 O GLY A 28 -15.200 27.097 -10.635 1.00 0.00 O ATOM 0 H GLY A 28 -18.353 26.590 -11.019 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -17.120 26.764 -8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -17.497 25.323 -9.295 1.00 0.00 H new ATOM 360 N GLU A 29 -14.930 25.257 -9.365 1.00 0.00 N ATOM 361 CA GLU A 29 -13.532 25.064 -9.740 1.00 0.00 C ATOM 362 C GLU A 29 -13.436 24.417 -11.113 1.00 0.00 C ATOM 363 O GLU A 29 -14.434 23.941 -11.658 1.00 0.00 O ATOM 364 CB GLU A 29 -12.790 24.180 -8.718 1.00 0.00 C ATOM 365 CG GLU A 29 -12.878 24.646 -7.269 1.00 0.00 C ATOM 366 CD GLU A 29 -14.242 24.412 -6.670 1.00 0.00 C ATOM 367 OE1 GLU A 29 -14.823 25.358 -6.120 1.00 0.00 O ATOM 368 OE2 GLU A 29 -14.757 23.282 -6.779 1.00 0.00 O ATOM 0 H GLU A 29 -15.289 24.561 -8.711 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.063 26.048 -9.759 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.188 23.167 -8.782 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.739 24.128 -9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.129 24.121 -6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.639 25.708 -7.217 1.00 0.00 H new ATOM 375 N GLY A 30 -12.234 24.396 -11.664 1.00 0.00 N ATOM 376 CA GLY A 30 -12.016 23.783 -12.957 1.00 0.00 C ATOM 377 C GLY A 30 -12.258 24.738 -14.102 1.00 0.00 C ATOM 378 O GLY A 30 -12.097 24.379 -15.266 1.00 0.00 O ATOM 0 H GLY A 30 -11.399 24.796 -11.236 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.993 23.410 -13.010 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.675 22.921 -13.062 1.00 0.00 H new ATOM 382 N CYS A 31 -12.643 25.956 -13.778 1.00 0.00 N ATOM 383 CA CYS A 31 -12.917 26.950 -14.792 1.00 0.00 C ATOM 384 C CYS A 31 -11.644 27.656 -15.234 1.00 0.00 C ATOM 385 O CYS A 31 -11.382 27.788 -16.433 1.00 0.00 O ATOM 386 CB CYS A 31 -13.925 27.965 -14.283 1.00 0.00 C ATOM 387 SG CYS A 31 -14.176 29.346 -15.404 1.00 0.00 S ATOM 0 H CYS A 31 -12.773 26.280 -12.820 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.337 26.434 -15.656 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.879 27.465 -14.115 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.590 28.346 -13.318 1.00 0.00 H new ATOM 0 HG CYS A 31 -15.404 29.341 -15.830 1.00 0.00 H new ATOM 392 N THR A 32 -10.855 28.105 -14.257 1.00 0.00 N ATOM 393 CA THR A 32 -9.598 28.819 -14.494 1.00 0.00 C ATOM 394 C THR A 32 -9.776 30.022 -15.433 1.00 0.00 C ATOM 395 O THR A 32 -8.959 30.257 -16.326 1.00 0.00 O ATOM 396 CB THR A 32 -8.471 27.877 -15.015 1.00 0.00 C ATOM 397 OG1 THR A 32 -8.876 27.195 -16.215 1.00 0.00 O ATOM 398 CG2 THR A 32 -8.105 26.853 -13.955 1.00 0.00 C ATOM 0 H THR A 32 -11.072 27.982 -13.268 1.00 0.00 H new ATOM 0 HA THR A 32 -9.287 29.202 -13.522 1.00 0.00 H new ATOM 0 HB THR A 32 -7.602 28.496 -15.240 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.654 27.648 -16.602 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.317 26.203 -14.334 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.753 27.366 -13.060 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.982 26.254 -13.709 1.00 0.00 H new ATOM 406 N CYS A 33 -10.845 30.784 -15.211 1.00 0.00 N ATOM 407 CA CYS A 33 -11.116 31.976 -15.998 1.00 0.00 C ATOM 408 C CYS A 33 -10.088 33.059 -15.694 1.00 0.00 C ATOM 409 O CYS A 33 -9.368 32.978 -14.704 1.00 0.00 O ATOM 410 CB CYS A 33 -12.524 32.500 -15.698 1.00 0.00 C ATOM 411 SG CYS A 33 -13.649 32.473 -17.110 1.00 0.00 S ATOM 0 H CYS A 33 -11.538 30.592 -14.488 1.00 0.00 H new ATOM 0 HA CYS A 33 -11.051 31.714 -17.054 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.956 31.904 -14.894 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.447 33.523 -15.331 1.00 0.00 H new ATOM 0 HG CYS A 33 -14.860 32.243 -16.696 1.00 0.00 H new ATOM 416 N ALA A 34 -10.027 34.064 -16.539 1.00 0.00 N ATOM 417 CA ALA A 34 -9.101 35.164 -16.345 1.00 0.00 C ATOM 418 C ALA A 34 -9.867 36.445 -16.052 1.00 0.00 C ATOM 419 O ALA A 34 -9.302 37.543 -16.046 1.00 0.00 O ATOM 420 CB ALA A 34 -8.219 35.333 -17.574 1.00 0.00 C ATOM 0 H ALA A 34 -10.610 34.145 -17.372 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.460 34.942 -15.492 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.529 36.162 -17.415 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.653 34.417 -17.745 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.842 35.542 -18.443 1.00 0.00 H new ATOM 426 N ALA A 35 -11.156 36.294 -15.801 1.00 0.00 N ATOM 427 CA ALA A 35 -12.013 37.424 -15.516 1.00 0.00 C ATOM 428 C ALA A 35 -12.587 37.319 -14.116 1.00 0.00 C ATOM 429 O ALA A 35 -12.294 38.147 -13.254 1.00 0.00 O ATOM 430 CB ALA A 35 -13.119 37.527 -16.550 1.00 0.00 C ATOM 0 H ALA A 35 -11.632 35.392 -15.790 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.415 38.334 -15.568 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.754 38.383 -16.320 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.681 37.656 -17.540 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.718 36.616 -16.534 1.00 0.00 H new ATOM 436 N CYS A 36 -13.403 36.296 -13.878 1.00 0.00 N ATOM 437 CA CYS A 36 -13.968 36.097 -12.562 1.00 0.00 C ATOM 438 C CYS A 36 -12.903 35.557 -11.624 1.00 0.00 C ATOM 439 O CYS A 36 -12.776 36.001 -10.480 1.00 0.00 O ATOM 440 CB CYS A 36 -15.172 35.172 -12.620 1.00 0.00 C ATOM 441 SG CYS A 36 -14.851 33.541 -13.324 1.00 0.00 S ATOM 0 H CYS A 36 -13.681 35.604 -14.574 1.00 0.00 H new ATOM 0 HA CYS A 36 -14.316 37.056 -12.178 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -15.562 35.044 -11.610 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -15.954 35.656 -13.205 1.00 0.00 H new ATOM 0 HG CYS A 36 -15.806 33.229 -14.149 1.00 0.00 H new ATOM 446 N LYS A 37 -12.125 34.610 -12.126 1.00 0.00 N ATOM 447 CA LYS A 37 -11.016 34.060 -11.382 1.00 0.00 C ATOM 448 C LYS A 37 -9.790 34.950 -11.539 1.00 0.00 C ATOM 449 O LYS A 37 -8.982 34.755 -12.441 1.00 0.00 O ATOM 450 CB LYS A 37 -10.681 32.634 -11.841 1.00 0.00 C ATOM 451 CG LYS A 37 -11.186 31.526 -10.927 1.00 0.00 C ATOM 452 CD LYS A 37 -12.678 31.296 -11.064 1.00 0.00 C ATOM 453 CE LYS A 37 -13.142 30.195 -10.117 1.00 0.00 C ATOM 454 NZ LYS A 37 -14.608 29.991 -10.163 1.00 0.00 N ATOM 0 H LYS A 37 -12.248 34.207 -13.055 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.308 34.019 -10.333 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.099 32.482 -12.836 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.599 32.543 -11.933 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.656 30.601 -11.156 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.954 31.779 -9.892 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.215 32.219 -10.847 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.916 31.023 -12.092 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.640 29.262 -10.375 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.845 30.446 -9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.852 29.111 -9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.085 30.792 -9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.919 29.926 -11.153 1.00 0.00 H new ATOM 468 N THR A 38 -9.674 35.936 -10.686 1.00 0.00 N ATOM 469 CA THR A 38 -8.552 36.838 -10.733 1.00 0.00 C ATOM 470 C THR A 38 -8.124 37.204 -9.319 1.00 0.00 C ATOM 471 O THR A 38 -8.926 37.137 -8.383 1.00 0.00 O ATOM 472 CB THR A 38 -8.891 38.124 -11.542 1.00 0.00 C ATOM 473 OG1 THR A 38 -7.720 38.938 -11.705 1.00 0.00 O ATOM 474 CG2 THR A 38 -9.977 38.938 -10.851 1.00 0.00 C ATOM 0 H THR A 38 -10.348 36.135 -9.946 1.00 0.00 H new ATOM 0 HA THR A 38 -7.730 36.332 -11.240 1.00 0.00 H new ATOM 0 HB THR A 38 -9.256 37.811 -12.520 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.949 39.742 -12.217 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.193 39.830 -11.439 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.881 38.336 -10.760 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.636 39.232 -9.858 1.00 0.00 H new ATOM 482 N CYS A 39 -6.870 37.570 -9.165 1.00 0.00 N ATOM 483 CA CYS A 39 -6.346 37.942 -7.875 1.00 0.00 C ATOM 484 C CYS A 39 -6.548 39.430 -7.651 1.00 0.00 C ATOM 485 O CYS A 39 -6.314 40.242 -8.549 1.00 0.00 O ATOM 486 CB CYS A 39 -4.866 37.580 -7.773 1.00 0.00 C ATOM 487 SG CYS A 39 -4.131 37.876 -6.152 1.00 0.00 S ATOM 0 H CYS A 39 -6.192 37.617 -9.926 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.882 37.392 -7.102 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.745 36.527 -8.026 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.313 38.152 -8.518 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.627 37.038 -5.291 1.00 0.00 H new ATOM 492 N ASN A 40 -6.984 39.781 -6.463 1.00 0.00 N ATOM 493 CA ASN A 40 -7.257 41.167 -6.126 1.00 0.00 C ATOM 494 C ASN A 40 -6.045 41.826 -5.507 1.00 0.00 C ATOM 495 O ASN A 40 -6.052 43.020 -5.220 1.00 0.00 O ATOM 496 CB ASN A 40 -8.456 41.257 -5.184 1.00 0.00 C ATOM 497 CG ASN A 40 -9.783 41.113 -5.912 1.00 0.00 C ATOM 498 OD1 ASN A 40 -10.409 42.105 -6.283 1.00 0.00 O ATOM 499 ND2 ASN A 40 -10.210 39.885 -6.138 1.00 0.00 N ATOM 0 H ASN A 40 -7.160 39.122 -5.705 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.494 41.700 -7.047 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.376 40.479 -4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.433 42.214 -4.663 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.087 39.734 -6.636 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.663 39.087 -5.815 1.00 0.00 H new ATOM 506 N CYS A 41 -5.005 41.048 -5.308 1.00 0.00 N ATOM 507 CA CYS A 41 -3.783 41.552 -4.736 1.00 0.00 C ATOM 508 C CYS A 41 -2.981 42.312 -5.779 1.00 0.00 C ATOM 509 O CYS A 41 -2.933 41.922 -6.950 1.00 0.00 O ATOM 510 CB CYS A 41 -2.976 40.404 -4.156 1.00 0.00 C ATOM 511 SG CYS A 41 -3.886 39.448 -2.926 1.00 0.00 S ATOM 0 H CYS A 41 -4.985 40.054 -5.537 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.025 42.247 -3.932 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.665 39.742 -4.964 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.068 40.800 -3.701 1.00 0.00 H new ATOM 0 HG CYS A 41 -3.316 38.291 -2.767 1.00 0.00 H new ATOM 516 N THR A 42 -2.366 43.396 -5.358 1.00 0.00 N ATOM 517 CA THR A 42 -1.619 44.243 -6.261 1.00 0.00 C ATOM 518 C THR A 42 -0.121 44.008 -6.115 1.00 0.00 C ATOM 519 O THR A 42 0.324 43.417 -5.135 1.00 0.00 O ATOM 520 CB THR A 42 -1.933 45.727 -5.997 1.00 0.00 C ATOM 521 OG1 THR A 42 -1.531 46.085 -4.664 1.00 0.00 O ATOM 522 CG2 THR A 42 -3.423 45.995 -6.157 1.00 0.00 C ATOM 0 H THR A 42 -2.369 43.713 -4.388 1.00 0.00 H new ATOM 0 HA THR A 42 -1.919 43.988 -7.278 1.00 0.00 H new ATOM 0 HB THR A 42 -1.382 46.327 -6.721 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.354 45.272 -4.146 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.626 47.049 -5.967 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.731 45.744 -7.172 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.981 45.384 -5.447 1.00 0.00 H new ATOM 530 N SER A 43 0.647 44.483 -7.085 1.00 0.00 N ATOM 531 CA SER A 43 2.095 44.331 -7.073 1.00 0.00 C ATOM 532 C SER A 43 2.716 45.160 -5.947 1.00 0.00 C ATOM 533 O SER A 43 3.739 44.784 -5.375 1.00 0.00 O ATOM 534 CB SER A 43 2.669 44.769 -8.421 1.00 0.00 C ATOM 535 OG SER A 43 1.938 44.192 -9.499 1.00 0.00 O ATOM 0 H SER A 43 0.287 44.982 -7.898 1.00 0.00 H new ATOM 0 HA SER A 43 2.335 43.282 -6.900 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.639 45.856 -8.497 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.716 44.474 -8.488 1.00 0.00 H new ATOM 0 HG SER A 43 2.323 44.488 -10.350 1.00 0.00 H new ATOM 541 N ASP A 44 2.082 46.284 -5.633 1.00 0.00 N ATOM 542 CA ASP A 44 2.564 47.170 -4.574 1.00 0.00 C ATOM 543 C ASP A 44 2.341 46.552 -3.204 1.00 0.00 C ATOM 544 O ASP A 44 3.144 46.735 -2.289 1.00 0.00 O ATOM 545 CB ASP A 44 1.866 48.536 -4.646 1.00 0.00 C ATOM 546 CG ASP A 44 2.321 49.490 -3.547 1.00 0.00 C ATOM 547 OD1 ASP A 44 1.648 49.563 -2.488 1.00 0.00 O ATOM 548 OD2 ASP A 44 3.355 50.175 -3.737 1.00 0.00 O ATOM 0 H ASP A 44 1.232 46.606 -6.096 1.00 0.00 H new ATOM 0 HA ASP A 44 3.634 47.311 -4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.062 48.989 -5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.788 48.392 -4.573 1.00 0.00 H new ATOM 553 N GLY A 45 1.256 45.812 -3.066 1.00 0.00 N ATOM 554 CA GLY A 45 0.945 45.213 -1.800 1.00 0.00 C ATOM 555 C GLY A 45 -0.078 44.112 -1.913 1.00 0.00 C ATOM 556 O GLY A 45 -1.076 44.239 -2.644 1.00 0.00 O ATOM 0 H GLY A 45 0.588 45.618 -3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.857 44.812 -1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.573 45.980 -1.121 1.00 0.00 H new ATOM 560 N CYS A 46 0.178 43.028 -1.216 1.00 0.00 N ATOM 561 CA CYS A 46 -0.720 41.896 -1.174 1.00 0.00 C ATOM 562 C CYS A 46 -1.941 42.245 -0.330 1.00 0.00 C ATOM 563 O CYS A 46 -1.839 43.020 0.619 1.00 0.00 O ATOM 564 CB CYS A 46 0.007 40.687 -0.584 1.00 0.00 C ATOM 565 SG CYS A 46 -0.911 39.136 -0.678 1.00 0.00 S ATOM 0 H CYS A 46 1.023 42.906 -0.657 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.048 41.650 -2.184 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.958 40.563 -1.103 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.239 40.894 0.461 1.00 0.00 H new ATOM 0 HG CYS A 46 -1.935 39.285 -1.465 1.00 0.00 H new ATOM 570 N LYS A 47 -3.090 41.690 -0.670 1.00 0.00 N ATOM 571 CA LYS A 47 -4.305 42.011 0.056 1.00 0.00 C ATOM 572 C LYS A 47 -4.834 40.828 0.858 1.00 0.00 C ATOM 573 O LYS A 47 -5.619 41.011 1.786 1.00 0.00 O ATOM 574 CB LYS A 47 -5.386 42.543 -0.888 1.00 0.00 C ATOM 575 CG LYS A 47 -5.003 43.843 -1.590 1.00 0.00 C ATOM 576 CD LYS A 47 -6.170 44.434 -2.380 1.00 0.00 C ATOM 577 CE LYS A 47 -7.122 45.252 -1.499 1.00 0.00 C ATOM 578 NZ LYS A 47 -7.776 44.439 -0.442 1.00 0.00 N ATOM 0 H LYS A 47 -3.208 41.024 -1.433 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.044 42.794 0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.604 41.785 -1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.304 42.703 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.663 44.567 -0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.166 43.658 -2.264 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.781 45.069 -3.176 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.726 43.628 -2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.567 46.066 -1.033 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.889 45.707 -2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.649 44.911 -0.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.007 43.498 -0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.131 44.337 0.367 1.00 0.00 H new ATOM 592 N CYS A 48 -4.418 39.620 0.512 1.00 0.00 N ATOM 593 CA CYS A 48 -4.891 38.450 1.241 1.00 0.00 C ATOM 594 C CYS A 48 -3.882 38.031 2.306 1.00 0.00 C ATOM 595 O CYS A 48 -4.259 37.607 3.401 1.00 0.00 O ATOM 596 CB CYS A 48 -5.173 37.288 0.295 1.00 0.00 C ATOM 597 SG CYS A 48 -3.697 36.526 -0.386 1.00 0.00 S ATOM 0 H CYS A 48 -3.769 39.424 -0.250 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.824 38.723 1.734 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.748 36.530 0.828 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.797 37.644 -0.525 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.769 37.425 -0.524 1.00 0.00 H new ATOM 602 N GLY A 49 -2.601 38.146 1.979 1.00 0.00 N ATOM 603 CA GLY A 49 -1.566 37.798 2.925 1.00 0.00 C ATOM 604 C GLY A 49 -0.689 36.652 2.460 1.00 0.00 C ATOM 605 O GLY A 49 0.225 36.242 3.170 1.00 0.00 O ATOM 0 H GLY A 49 -2.263 38.474 1.074 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.942 38.673 3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.027 37.531 3.876 1.00 0.00 H new ATOM 609 N LYS A 50 -0.961 36.127 1.274 1.00 0.00 N ATOM 610 CA LYS A 50 -0.161 35.028 0.730 1.00 0.00 C ATOM 611 C LYS A 50 1.079 35.562 0.026 1.00 0.00 C ATOM 612 O LYS A 50 1.967 34.794 -0.365 1.00 0.00 O ATOM 613 CB LYS A 50 -0.984 34.197 -0.247 1.00 0.00 C ATOM 614 CG LYS A 50 -2.254 33.610 0.344 1.00 0.00 C ATOM 615 CD LYS A 50 -1.968 32.609 1.440 1.00 0.00 C ATOM 616 CE LYS A 50 -3.231 31.858 1.821 1.00 0.00 C ATOM 617 NZ LYS A 50 -2.984 30.861 2.887 1.00 0.00 N ATOM 0 H LYS A 50 -1.722 36.438 0.671 1.00 0.00 H new ATOM 0 HA LYS A 50 0.148 34.396 1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.249 34.820 -1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.364 33.384 -0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.872 34.415 0.742 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.830 33.127 -0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.206 31.904 1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.567 33.123 2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.987 32.568 2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.633 31.356 0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.872 30.371 3.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.281 30.168 2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.625 31.342 3.736 1.00 0.00 H new ATOM 631 N GLU A 51 1.120 36.889 -0.140 1.00 0.00 N ATOM 632 CA GLU A 51 2.226 37.588 -0.796 1.00 0.00 C ATOM 633 C GLU A 51 2.304 37.228 -2.278 1.00 0.00 C ATOM 634 O GLU A 51 3.369 37.285 -2.895 1.00 0.00 O ATOM 635 CB GLU A 51 3.557 37.323 -0.081 1.00 0.00 C ATOM 636 CG GLU A 51 3.569 37.799 1.367 1.00 0.00 C ATOM 637 CD GLU A 51 4.936 37.716 2.004 1.00 0.00 C ATOM 638 OE1 GLU A 51 5.267 36.663 2.579 1.00 0.00 O ATOM 639 OE2 GLU A 51 5.688 38.712 1.944 1.00 0.00 O ATOM 0 H GLU A 51 0.379 37.512 0.181 1.00 0.00 H new ATOM 0 HA GLU A 51 2.029 38.658 -0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.769 36.254 -0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.360 37.820 -0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.217 38.830 1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.867 37.199 1.947 1.00 0.00 H new ATOM 646 N CYS A 52 1.158 36.884 -2.840 1.00 0.00 N ATOM 647 CA CYS A 52 1.040 36.548 -4.249 1.00 0.00 C ATOM 648 C CYS A 52 1.201 37.796 -5.105 1.00 0.00 C ATOM 649 O CYS A 52 1.943 37.800 -6.087 1.00 0.00 O ATOM 650 CB CYS A 52 -0.319 35.923 -4.488 1.00 0.00 C ATOM 651 SG CYS A 52 -1.595 36.560 -3.391 1.00 0.00 S ATOM 0 H CYS A 52 0.277 36.830 -2.328 1.00 0.00 H new ATOM 0 HA CYS A 52 1.824 35.843 -4.524 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.616 36.100 -5.522 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.243 34.843 -4.358 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.592 37.004 -4.097 1.00 0.00 H new ATOM 656 N THR A 53 0.487 38.850 -4.711 1.00 0.00 N ATOM 657 CA THR A 53 0.545 40.172 -5.350 1.00 0.00 C ATOM 658 C THR A 53 0.242 40.134 -6.853 1.00 0.00 C ATOM 659 O THR A 53 0.815 40.899 -7.629 1.00 0.00 O ATOM 660 CB THR A 53 1.908 40.881 -5.099 1.00 0.00 C ATOM 661 OG1 THR A 53 3.002 40.089 -5.591 1.00 0.00 O ATOM 662 CG2 THR A 53 2.102 41.138 -3.616 1.00 0.00 C ATOM 0 H THR A 53 -0.161 38.812 -3.924 1.00 0.00 H new ATOM 0 HA THR A 53 -0.246 40.753 -4.875 1.00 0.00 H new ATOM 0 HB THR A 53 1.893 41.830 -5.636 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.656 39.371 -6.161 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.059 41.634 -3.455 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.297 41.774 -3.249 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.090 40.190 -3.078 1.00 0.00 H new ATOM 670 N GLY A 54 -0.672 39.268 -7.257 1.00 0.00 N ATOM 671 CA GLY A 54 -1.030 39.195 -8.653 1.00 0.00 C ATOM 672 C GLY A 54 -1.476 37.811 -9.057 1.00 0.00 C ATOM 673 O GLY A 54 -1.012 36.835 -8.496 1.00 0.00 O ATOM 0 H GLY A 54 -1.169 38.619 -6.647 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.830 39.907 -8.859 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.175 39.491 -9.261 1.00 0.00 H new ATOM 677 N PRO A 55 -2.381 37.696 -10.044 1.00 0.00 N ATOM 678 CA PRO A 55 -2.910 36.400 -10.495 1.00 0.00 C ATOM 679 C PRO A 55 -1.883 35.567 -11.254 1.00 0.00 C ATOM 680 O PRO A 55 -1.990 34.342 -11.319 1.00 0.00 O ATOM 681 CB PRO A 55 -4.060 36.786 -11.420 1.00 0.00 C ATOM 682 CG PRO A 55 -3.720 38.153 -11.906 1.00 0.00 C ATOM 683 CD PRO A 55 -2.971 38.824 -10.791 1.00 0.00 C ATOM 0 HA PRO A 55 -3.206 35.777 -9.651 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.153 36.084 -12.249 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.012 36.781 -10.890 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.111 38.104 -12.809 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.622 38.711 -12.159 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.204 39.498 -11.172 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.634 39.418 -10.163 1.00 0.00 H new ATOM 691 N ASP A 56 -0.889 36.228 -11.815 1.00 0.00 N ATOM 692 CA ASP A 56 0.140 35.541 -12.588 1.00 0.00 C ATOM 693 C ASP A 56 1.193 34.975 -11.656 1.00 0.00 C ATOM 694 O ASP A 56 1.926 34.055 -12.008 1.00 0.00 O ATOM 695 CB ASP A 56 0.791 36.495 -13.596 1.00 0.00 C ATOM 696 CG ASP A 56 -0.224 37.281 -14.400 1.00 0.00 C ATOM 697 OD1 ASP A 56 -0.651 36.802 -15.470 1.00 0.00 O ATOM 698 OD2 ASP A 56 -0.603 38.390 -13.961 1.00 0.00 O ATOM 0 H ASP A 56 -0.768 37.239 -11.753 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.329 34.726 -13.140 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.443 37.189 -13.064 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.422 35.923 -14.276 1.00 0.00 H new ATOM 703 N SER A 57 1.258 35.535 -10.464 1.00 0.00 N ATOM 704 CA SER A 57 2.198 35.095 -9.452 1.00 0.00 C ATOM 705 C SER A 57 1.438 34.668 -8.201 1.00 0.00 C ATOM 706 O SER A 57 1.986 34.643 -7.097 1.00 0.00 O ATOM 707 CB SER A 57 3.164 36.233 -9.122 1.00 0.00 C ATOM 708 OG SER A 57 3.779 36.735 -10.306 1.00 0.00 O ATOM 0 H SER A 57 0.661 36.308 -10.170 1.00 0.00 H new ATOM 0 HA SER A 57 2.768 34.245 -9.826 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.628 37.036 -8.617 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.929 35.878 -8.432 1.00 0.00 H new ATOM 0 HG SER A 57 4.392 37.463 -10.073 1.00 0.00 H new ATOM 714 N CYS A 58 0.173 34.319 -8.389 1.00 0.00 N ATOM 715 CA CYS A 58 -0.678 33.945 -7.288 1.00 0.00 C ATOM 716 C CYS A 58 -0.348 32.554 -6.792 1.00 0.00 C ATOM 717 O CYS A 58 -0.041 31.650 -7.577 1.00 0.00 O ATOM 718 CB CYS A 58 -2.147 34.054 -7.679 1.00 0.00 C ATOM 719 SG CYS A 58 -3.286 34.108 -6.277 1.00 0.00 S ATOM 0 H CYS A 58 -0.281 34.290 -9.302 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.495 34.640 -6.469 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.286 34.953 -8.280 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.407 33.205 -8.311 1.00 0.00 H new ATOM 0 HG CYS A 58 -3.680 35.332 -6.085 1.00 0.00 H new ATOM 724 N LYS A 59 -0.418 32.389 -5.494 1.00 0.00 N ATOM 725 CA LYS A 59 -0.063 31.141 -4.850 1.00 0.00 C ATOM 726 C LYS A 59 -1.299 30.463 -4.287 1.00 0.00 C ATOM 727 O LYS A 59 -1.213 29.396 -3.676 1.00 0.00 O ATOM 728 CB LYS A 59 0.928 31.433 -3.730 1.00 0.00 C ATOM 729 CG LYS A 59 2.190 32.143 -4.206 1.00 0.00 C ATOM 730 CD LYS A 59 2.876 32.884 -3.074 1.00 0.00 C ATOM 731 CE LYS A 59 3.301 31.944 -1.956 1.00 0.00 C ATOM 732 NZ LYS A 59 3.885 32.679 -0.804 1.00 0.00 N ATOM 0 H LYS A 59 -0.724 33.117 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 59 0.389 30.471 -5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.439 32.046 -2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.207 30.496 -3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.878 31.414 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.935 32.845 -5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.751 33.408 -3.460 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.202 33.642 -2.675 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.439 31.368 -1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.031 31.231 -2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.958 32.041 0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.832 33.026 -1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.275 33.485 -0.561 1.00 0.00 H new ATOM 746 N CYS A 60 -2.441 31.085 -4.497 1.00 0.00 N ATOM 747 CA CYS A 60 -3.693 30.579 -3.982 1.00 0.00 C ATOM 748 C CYS A 60 -4.480 29.867 -5.076 1.00 0.00 C ATOM 749 O CYS A 60 -4.486 30.300 -6.236 1.00 0.00 O ATOM 750 CB CYS A 60 -4.508 31.730 -3.420 1.00 0.00 C ATOM 751 SG CYS A 60 -3.524 32.913 -2.477 1.00 0.00 S ATOM 0 H CYS A 60 -2.526 31.952 -5.028 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.483 29.859 -3.191 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.001 32.251 -4.241 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.294 31.330 -2.779 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.024 34.105 -2.620 1.00 0.00 H new ATOM 756 N GLY A 61 -5.167 28.805 -4.700 1.00 0.00 N ATOM 757 CA GLY A 61 -5.932 28.025 -5.653 1.00 0.00 C ATOM 758 C GLY A 61 -7.413 28.197 -5.435 1.00 0.00 C ATOM 759 O GLY A 61 -8.093 27.278 -4.965 1.00 0.00 O ATOM 0 H GLY A 61 -5.211 28.463 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.673 28.330 -6.667 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.668 26.972 -5.560 1.00 0.00 H new ATOM 763 N SER A 62 -7.907 29.387 -5.769 1.00 0.00 N ATOM 764 CA SER A 62 -9.302 29.756 -5.570 1.00 0.00 C ATOM 765 C SER A 62 -9.664 29.689 -4.079 1.00 0.00 C ATOM 766 O SER A 62 -8.807 29.408 -3.233 1.00 0.00 O ATOM 767 CB SER A 62 -10.238 28.859 -6.408 1.00 0.00 C ATOM 768 OG SER A 62 -11.560 29.381 -6.432 1.00 0.00 O ATOM 0 H SER A 62 -7.344 30.127 -6.189 1.00 0.00 H new ATOM 0 HA SER A 62 -9.437 30.783 -5.911 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.856 28.780 -7.426 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.249 27.851 -5.993 1.00 0.00 H new ATOM 0 HG SER A 62 -12.133 28.796 -6.970 1.00 0.00 H new ATOM 774 N SER A 63 -10.915 29.996 -3.764 1.00 0.00 N ATOM 775 CA SER A 63 -11.432 29.934 -2.393 1.00 0.00 C ATOM 776 C SER A 63 -10.727 30.916 -1.426 1.00 0.00 C ATOM 777 O SER A 63 -11.066 30.971 -0.239 1.00 0.00 O ATOM 778 CB SER A 63 -11.334 28.497 -1.867 1.00 0.00 C ATOM 779 OG SER A 63 -11.934 27.584 -2.781 1.00 0.00 O ATOM 0 H SER A 63 -11.607 30.297 -4.451 1.00 0.00 H new ATOM 0 HA SER A 63 -12.476 30.246 -2.432 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.288 28.231 -1.714 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.827 28.425 -0.897 1.00 0.00 H new ATOM 0 HG SER A 63 -11.860 26.672 -2.429 1.00 0.00 H new ATOM 785 N CYS A 64 -9.756 31.682 -1.922 1.00 0.00 N ATOM 786 CA CYS A 64 -9.067 32.641 -1.080 1.00 0.00 C ATOM 787 C CYS A 64 -9.721 34.004 -1.192 1.00 0.00 C ATOM 788 O CYS A 64 -10.454 34.272 -2.142 1.00 0.00 O ATOM 789 CB CYS A 64 -7.582 32.728 -1.437 1.00 0.00 C ATOM 790 SG CYS A 64 -6.607 33.721 -0.277 1.00 0.00 S ATOM 0 H CYS A 64 -9.437 31.654 -2.890 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.142 32.298 -0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.168 31.721 -1.475 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.483 33.152 -2.436 1.00 0.00 H new ATOM 0 HG CYS A 64 -5.360 33.717 -0.644 1.00 0.00 H new ATOM 795 N SER A 65 -9.434 34.869 -0.236 1.00 0.00 N ATOM 796 CA SER A 65 -10.034 36.188 -0.186 1.00 0.00 C ATOM 797 C SER A 65 -9.526 37.105 -1.303 1.00 0.00 C ATOM 798 O SER A 65 -10.090 38.174 -1.533 1.00 0.00 O ATOM 799 CB SER A 65 -9.800 36.820 1.177 1.00 0.00 C ATOM 800 OG SER A 65 -10.346 36.007 2.208 1.00 0.00 O ATOM 0 H SER A 65 -8.781 34.677 0.524 1.00 0.00 H new ATOM 0 HA SER A 65 -11.105 36.063 -0.344 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.731 36.956 1.342 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.256 37.810 1.208 1.00 0.00 H new ATOM 0 HG SER A 65 -10.184 36.429 3.078 1.00 0.00 H new ATOM 806 N CYS A 66 -8.464 36.702 -1.999 1.00 0.00 N ATOM 807 CA CYS A 66 -7.979 37.499 -3.110 1.00 0.00 C ATOM 808 C CYS A 66 -8.711 37.126 -4.396 1.00 0.00 C ATOM 809 O CYS A 66 -8.467 37.702 -5.447 1.00 0.00 O ATOM 810 CB CYS A 66 -6.445 37.388 -3.286 1.00 0.00 C ATOM 811 SG CYS A 66 -5.791 35.714 -3.525 1.00 0.00 S ATOM 0 H CYS A 66 -7.938 35.848 -1.815 1.00 0.00 H new ATOM 0 HA CYS A 66 -8.192 38.543 -2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.153 37.996 -4.142 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.966 37.822 -2.408 1.00 0.00 H new ATOM 0 HG CYS A 66 -6.033 34.998 -2.467 1.00 0.00 H new ATOM 816 N LYS A 67 -9.640 36.177 -4.294 1.00 0.00 N ATOM 817 CA LYS A 67 -10.407 35.720 -5.451 1.00 0.00 C ATOM 818 C LYS A 67 -11.879 36.075 -5.290 1.00 0.00 C ATOM 819 O LYS A 67 -12.529 35.477 -4.405 1.00 0.00 O ATOM 820 CB LYS A 67 -10.242 34.203 -5.641 1.00 0.00 C ATOM 821 CG LYS A 67 -8.791 33.751 -5.668 1.00 0.00 C ATOM 822 CD LYS A 67 -8.010 34.482 -6.743 1.00 0.00 C ATOM 823 CE LYS A 67 -6.523 34.379 -6.508 1.00 0.00 C ATOM 824 NZ LYS A 67 -5.982 33.050 -6.861 1.00 0.00 N ATOM 0 H LYS A 67 -9.880 35.709 -3.420 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.024 36.225 -6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.761 33.685 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.724 33.907 -6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.333 33.931 -4.696 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.745 32.677 -5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.255 34.066 -7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.306 35.531 -6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.013 35.142 -7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.309 34.587 -5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.943 33.083 -6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.318 32.345 -6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.304 32.786 -7.814 1.00 0.00 H new