USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=35 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 62 SER OG : rot 147:sc= 1.48 USER MOD Set 1.2: A 67 LYS NZ :NH3+ 148:sc= 0.147 (180deg=-0.0867) USER MOD Set 2.1: A 39 CYS SG : rot -98:sc= 0.384 USER MOD Set 2.2: A 41 CYS SG : rot 170:sc= 0.816 USER MOD Set 2.3: A 46 CYS SG : rot 79:sc= 1.07 USER MOD Set 2.4: A 48 CYS SG : rot -111:sc= -1.16 USER MOD Set 2.5: A 52 CYS SG : rot 180:sc= 0.141 USER MOD Set 2.6: A 58 CYS SG : rot 23:sc= 0.356 USER MOD Set 2.7: A 60 CYS SG : rot 180:sc= -0.536 USER MOD Set 2.8: A 64 CYS SG : rot 180:sc= -0.399 USER MOD Set 2.9: A 65 SER OG : rot 180:sc= 0.00114 USER MOD Set 2.10: A 66 CYS SG : rot 180:sc= 0.00186 USER MOD Set 3.1: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 57 SER OG : rot -150:sc= 0.677 USER MOD Set 4.1: A 32 THR OG1 : rot -46:sc= 0.683 USER MOD Set 4.2: A 37 LYS NZ :NH3+ 166:sc= -1.23! (180deg=-1.62!) USER MOD Set 5.1: A 10 CYS SG : rot 180:sc= -0.587 USER MOD Set 5.2: A 11 THR OG1 : rot -67:sc= 0.872 USER MOD Set 5.3: A 14 CYS SG : rot -24:sc= 0.07 USER MOD Set 5.4: A 19 CYS SG : rot -20:sc= -1.15 USER MOD Set 5.5: A 21 CYS SG : rot -82:sc= -2.69! USER MOD Set 5.6: A 27 CYS SG : rot 180:sc= -2.78! USER MOD Set 5.7: A 31 CYS SG : rot 180:sc= 0.276 USER MOD Set 5.8: A 33 CYS SG : rot 180:sc= -0.686 USER MOD Set 5.9: A 36 CYS SG : rot 180:sc= 0.0833 USER MOD Single : A 9 LYS NZ :NH3+ 140:sc= 1.16 (180deg=-0.394) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 66:sc= 0.309 USER MOD Single : A 20 GLN : amide:sc= 0.399 X(o=0.4,f=0) 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 25 CYS SG : rot -156:sc= -1.15 USER MOD Single : A 26 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.69) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.006 USER MOD Single : A 40 ASN : amide:sc= 1.17 K(o=1.2,f=-0.036) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -172:sc=-0.00386 (180deg=-0.0922) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N LYS A 9 15.449 -8.740 -17.543 1.00 0.00 N ATOM 99 CA LYS A 9 16.841 -8.376 -17.415 1.00 0.00 C ATOM 100 C LYS A 9 17.385 -8.745 -16.045 1.00 0.00 C ATOM 101 O LYS A 9 18.548 -8.492 -15.744 1.00 0.00 O ATOM 102 CB LYS A 9 17.030 -6.897 -17.689 1.00 0.00 C ATOM 103 CG LYS A 9 16.792 -6.528 -19.146 1.00 0.00 C ATOM 104 CD LYS A 9 17.247 -5.115 -19.454 1.00 0.00 C ATOM 105 CE LYS A 9 17.091 -4.799 -20.935 1.00 0.00 C ATOM 106 NZ LYS A 9 17.740 -3.513 -21.313 1.00 0.00 N ATOM 0 HA LYS A 9 17.406 -8.940 -18.157 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.348 -6.326 -17.059 1.00 0.00 H new ATOM 0 HB3 LYS A 9 18.042 -6.607 -17.407 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.324 -7.229 -19.789 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.731 -6.626 -19.376 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.666 -4.406 -18.865 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.290 -4.994 -19.161 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.524 -5.608 -21.524 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.031 -4.755 -21.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 18.210 -3.619 -22.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.019 -2.766 -21.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.445 -3.255 -20.593 1.00 0.00 H new ATOM 120 N CYS A 10 16.535 -9.330 -15.210 1.00 0.00 N ATOM 121 CA CYS A 10 16.964 -9.799 -13.906 1.00 0.00 C ATOM 122 C CYS A 10 17.712 -11.106 -14.049 1.00 0.00 C ATOM 123 O CYS A 10 17.497 -11.855 -15.007 1.00 0.00 O ATOM 124 CB CYS A 10 15.773 -9.988 -12.961 1.00 0.00 C ATOM 125 SG CYS A 10 14.993 -8.454 -12.422 1.00 0.00 S ATOM 0 H CYS A 10 15.549 -9.489 -15.415 1.00 0.00 H new ATOM 0 HA CYS A 10 17.622 -9.043 -13.477 1.00 0.00 H new ATOM 0 HB2 CYS A 10 15.025 -10.605 -13.459 1.00 0.00 H new ATOM 0 HB3 CYS A 10 16.107 -10.539 -12.082 1.00 0.00 H new ATOM 0 HG CYS A 10 13.999 -8.728 -11.630 1.00 0.00 H new ATOM 130 N THR A 11 18.582 -11.376 -13.116 1.00 0.00 N ATOM 131 CA THR A 11 19.354 -12.588 -13.137 1.00 0.00 C ATOM 132 C THR A 11 18.632 -13.673 -12.350 1.00 0.00 C ATOM 133 O THR A 11 17.669 -13.388 -11.626 1.00 0.00 O ATOM 134 CB THR A 11 20.729 -12.352 -12.503 1.00 0.00 C ATOM 135 OG1 THR A 11 20.562 -12.070 -11.110 1.00 0.00 O ATOM 136 CG2 THR A 11 21.431 -11.185 -13.179 1.00 0.00 C ATOM 0 H THR A 11 18.776 -10.765 -12.322 1.00 0.00 H new ATOM 0 HA THR A 11 19.479 -12.900 -14.174 1.00 0.00 H new ATOM 0 HB THR A 11 21.339 -13.247 -12.630 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.106 -11.209 -11.003 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.406 -11.030 -12.717 1.00 0.00 H new ATOM 0 HG22 THR A 11 21.562 -11.404 -14.239 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.829 -10.283 -13.066 1.00 0.00 H new ATOM 144 N SER A 12 19.086 -14.906 -12.475 1.00 0.00 N ATOM 145 CA SER A 12 18.505 -16.000 -11.722 1.00 0.00 C ATOM 146 C SER A 12 18.817 -15.827 -10.233 1.00 0.00 C ATOM 147 O SER A 12 18.123 -16.367 -9.368 1.00 0.00 O ATOM 148 CB SER A 12 19.049 -17.334 -12.229 1.00 0.00 C ATOM 149 OG SER A 12 18.898 -17.438 -13.639 1.00 0.00 O ATOM 0 H SER A 12 19.854 -15.174 -13.090 1.00 0.00 H new ATOM 0 HA SER A 12 17.424 -15.993 -11.858 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.102 -17.427 -11.964 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.524 -18.155 -11.741 1.00 0.00 H new ATOM 0 HG SER A 12 19.254 -18.299 -13.944 1.00 0.00 H new ATOM 155 N ALA A 13 19.852 -15.042 -9.953 1.00 0.00 N ATOM 156 CA ALA A 13 20.276 -14.766 -8.596 1.00 0.00 C ATOM 157 C ALA A 13 19.329 -13.775 -7.925 1.00 0.00 C ATOM 158 O ALA A 13 19.013 -13.905 -6.741 1.00 0.00 O ATOM 159 CB ALA A 13 21.694 -14.229 -8.601 1.00 0.00 C ATOM 0 H ALA A 13 20.418 -14.581 -10.666 1.00 0.00 H new ATOM 0 HA ALA A 13 20.251 -15.694 -8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 13 22.009 -14.023 -7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 13 22.361 -14.968 -9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 13 21.733 -13.309 -9.185 1.00 0.00 H new ATOM 165 N CYS A 14 18.870 -12.790 -8.690 1.00 0.00 N ATOM 166 CA CYS A 14 17.930 -11.790 -8.181 1.00 0.00 C ATOM 167 C CYS A 14 16.567 -12.422 -7.962 1.00 0.00 C ATOM 168 O CYS A 14 15.757 -11.939 -7.174 1.00 0.00 O ATOM 169 CB CYS A 14 17.813 -10.610 -9.161 1.00 0.00 C ATOM 170 SG CYS A 14 16.696 -9.284 -8.620 1.00 0.00 S ATOM 0 H CYS A 14 19.133 -12.660 -9.667 1.00 0.00 H new ATOM 0 HA CYS A 14 18.305 -11.414 -7.229 1.00 0.00 H new ATOM 0 HB2 CYS A 14 18.805 -10.188 -9.321 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.468 -10.987 -10.124 1.00 0.00 H new ATOM 0 HG CYS A 14 15.829 -9.763 -7.778 1.00 0.00 H new ATOM 175 N ARG A 15 16.325 -13.521 -8.654 1.00 0.00 N ATOM 176 CA ARG A 15 15.065 -14.228 -8.547 1.00 0.00 C ATOM 177 C ARG A 15 15.119 -15.276 -7.440 1.00 0.00 C ATOM 178 O ARG A 15 14.323 -16.213 -7.416 1.00 0.00 O ATOM 179 CB ARG A 15 14.705 -14.875 -9.880 1.00 0.00 C ATOM 180 CG ARG A 15 14.597 -13.883 -11.026 1.00 0.00 C ATOM 181 CD ARG A 15 14.007 -14.527 -12.263 1.00 0.00 C ATOM 182 NE ARG A 15 12.629 -14.966 -12.043 1.00 0.00 N ATOM 183 CZ ARG A 15 11.746 -15.194 -13.015 1.00 0.00 C ATOM 184 NH1 ARG A 15 12.099 -15.055 -14.289 1.00 0.00 N ATOM 185 NH2 ARG A 15 10.514 -15.569 -12.711 1.00 0.00 N ATOM 0 H ARG A 15 16.991 -13.944 -9.300 1.00 0.00 H new ATOM 0 HA ARG A 15 14.290 -13.506 -8.289 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.459 -15.623 -10.127 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.756 -15.401 -9.775 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.976 -13.040 -10.722 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.585 -13.484 -11.258 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.035 -13.818 -13.090 1.00 0.00 H new ATOM 0 HD3 ARG A 15 14.618 -15.381 -12.555 1.00 0.00 H new ATOM 0 HE ARG A 15 12.323 -15.107 -11.080 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.050 -14.773 -14.527 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.419 -15.231 -15.029 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.242 -15.683 -11.735 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.836 -15.744 -13.453 1.00 0.00 H new ATOM 199 N SER A 16 16.056 -15.106 -6.529 1.00 0.00 N ATOM 200 CA SER A 16 16.200 -15.998 -5.397 1.00 0.00 C ATOM 201 C SER A 16 15.875 -15.244 -4.106 1.00 0.00 C ATOM 202 O SER A 16 15.698 -14.020 -4.128 1.00 0.00 O ATOM 203 CB SER A 16 17.622 -16.553 -5.353 1.00 0.00 C ATOM 204 OG SER A 16 17.978 -17.123 -6.605 1.00 0.00 O ATOM 0 H SER A 16 16.737 -14.347 -6.553 1.00 0.00 H new ATOM 0 HA SER A 16 15.506 -16.833 -5.499 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.321 -15.756 -5.099 1.00 0.00 H new ATOM 0 HB3 SER A 16 17.699 -17.307 -4.570 1.00 0.00 H new ATOM 0 HG SER A 16 18.017 -16.419 -7.286 1.00 0.00 H new ATOM 210 N GLU A 17 15.792 -15.960 -2.995 1.00 0.00 N ATOM 211 CA GLU A 17 15.485 -15.338 -1.716 1.00 0.00 C ATOM 212 C GLU A 17 16.497 -15.767 -0.638 1.00 0.00 C ATOM 213 O GLU A 17 16.554 -16.938 -0.260 1.00 0.00 O ATOM 214 CB GLU A 17 14.045 -15.678 -1.295 1.00 0.00 C ATOM 215 CG GLU A 17 13.756 -17.171 -1.208 1.00 0.00 C ATOM 216 CD GLU A 17 12.290 -17.474 -1.028 1.00 0.00 C ATOM 217 OE1 GLU A 17 11.721 -17.103 0.022 1.00 0.00 O ATOM 218 OE2 GLU A 17 11.694 -18.091 -1.937 1.00 0.00 O ATOM 0 H GLU A 17 15.932 -16.969 -2.953 1.00 0.00 H new ATOM 0 HA GLU A 17 15.564 -14.257 -1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.845 -15.223 -0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.354 -15.226 -2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.114 -17.659 -2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.315 -17.596 -0.375 1.00 0.00 H new ATOM 225 N PRO A 18 17.331 -14.830 -0.144 1.00 0.00 N ATOM 226 CA PRO A 18 17.334 -13.431 -0.575 1.00 0.00 C ATOM 227 C PRO A 18 18.070 -13.253 -1.899 1.00 0.00 C ATOM 228 O PRO A 18 18.461 -14.237 -2.538 1.00 0.00 O ATOM 229 CB PRO A 18 18.097 -12.703 0.556 1.00 0.00 C ATOM 230 CG PRO A 18 18.408 -13.752 1.582 1.00 0.00 C ATOM 231 CD PRO A 18 18.347 -15.068 0.872 1.00 0.00 C ATOM 0 HA PRO A 18 16.326 -13.050 -0.738 1.00 0.00 H new ATOM 0 HB2 PRO A 18 19.010 -12.243 0.178 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.492 -11.904 0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.395 -13.590 2.016 1.00 0.00 H new ATOM 0 HG3 PRO A 18 17.690 -13.719 2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 18 19.307 -15.336 0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 18 18.067 -15.879 1.544 1.00 0.00 H new ATOM 239 N CYS A 19 18.261 -12.010 -2.308 1.00 0.00 N ATOM 240 CA CYS A 19 18.950 -11.723 -3.551 1.00 0.00 C ATOM 241 C CYS A 19 20.379 -12.263 -3.498 1.00 0.00 C ATOM 242 O CYS A 19 21.066 -12.136 -2.477 1.00 0.00 O ATOM 243 CB CYS A 19 18.957 -10.228 -3.826 1.00 0.00 C ATOM 244 SG CYS A 19 19.454 -9.806 -5.504 1.00 0.00 S ATOM 0 H CYS A 19 17.948 -11.185 -1.796 1.00 0.00 H new ATOM 0 HA CYS A 19 18.419 -12.217 -4.364 1.00 0.00 H new ATOM 0 HB2 CYS A 19 17.960 -9.828 -3.640 1.00 0.00 H new ATOM 0 HB3 CYS A 19 19.632 -9.741 -3.123 1.00 0.00 H new ATOM 0 HG CYS A 19 20.103 -10.803 -6.028 1.00 0.00 H new ATOM 249 N GLN A 20 20.816 -12.872 -4.585 1.00 0.00 N ATOM 250 CA GLN A 20 22.126 -13.511 -4.632 1.00 0.00 C ATOM 251 C GLN A 20 22.999 -12.915 -5.737 1.00 0.00 C ATOM 252 O GLN A 20 23.900 -13.577 -6.248 1.00 0.00 O ATOM 253 CB GLN A 20 21.944 -15.016 -4.869 1.00 0.00 C ATOM 254 CG GLN A 20 21.064 -15.707 -3.834 1.00 0.00 C ATOM 255 CD GLN A 20 21.751 -15.890 -2.495 1.00 0.00 C ATOM 256 OE1 GLN A 20 22.363 -16.928 -2.236 1.00 0.00 O ATOM 257 NE2 GLN A 20 21.661 -14.890 -1.639 1.00 0.00 N ATOM 0 H GLN A 20 20.283 -12.940 -5.452 1.00 0.00 H new ATOM 0 HA GLN A 20 22.628 -13.339 -3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.511 -15.167 -5.858 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.924 -15.493 -4.874 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.154 -15.124 -3.692 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.761 -16.682 -4.216 1.00 0.00 H new ATOM 0 HE21 GLN A 20 21.145 -14.047 -1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.107 -14.960 -0.725 1.00 0.00 H new ATOM 266 N CYS A 21 22.750 -11.666 -6.090 1.00 0.00 N ATOM 267 CA CYS A 21 23.505 -11.011 -7.156 1.00 0.00 C ATOM 268 C CYS A 21 24.769 -10.333 -6.618 1.00 0.00 C ATOM 269 O CYS A 21 25.365 -9.487 -7.289 1.00 0.00 O ATOM 270 CB CYS A 21 22.621 -9.988 -7.862 1.00 0.00 C ATOM 271 SG CYS A 21 21.128 -10.686 -8.595 1.00 0.00 S ATOM 0 H CYS A 21 22.034 -11.082 -5.658 1.00 0.00 H new ATOM 0 HA CYS A 21 23.817 -11.776 -7.867 1.00 0.00 H new ATOM 0 HB2 CYS A 21 22.335 -9.216 -7.147 1.00 0.00 H new ATOM 0 HB3 CYS A 21 23.202 -9.499 -8.644 1.00 0.00 H new ATOM 0 HG CYS A 21 21.413 -11.201 -9.754 1.00 0.00 H new ATOM 276 N GLY A 22 25.183 -10.724 -5.420 1.00 0.00 N ATOM 277 CA GLY A 22 26.352 -10.136 -4.799 1.00 0.00 C ATOM 278 C GLY A 22 27.622 -10.351 -5.597 1.00 0.00 C ATOM 279 O GLY A 22 28.145 -11.470 -5.661 1.00 0.00 O ATOM 0 H GLY A 22 24.724 -11.445 -4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.188 -9.066 -4.670 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.479 -10.561 -3.803 1.00 0.00 H new ATOM 283 N SER A 23 28.101 -9.271 -6.228 1.00 0.00 N ATOM 284 CA SER A 23 29.337 -9.287 -7.015 1.00 0.00 C ATOM 285 C SER A 23 29.221 -10.204 -8.236 1.00 0.00 C ATOM 286 O SER A 23 30.225 -10.589 -8.839 1.00 0.00 O ATOM 287 CB SER A 23 30.518 -9.696 -6.134 1.00 0.00 C ATOM 288 OG SER A 23 30.583 -8.882 -4.969 1.00 0.00 O ATOM 0 H SER A 23 27.640 -8.361 -6.206 1.00 0.00 H new ATOM 0 HA SER A 23 29.510 -8.278 -7.388 1.00 0.00 H new ATOM 0 HB2 SER A 23 30.418 -10.743 -5.847 1.00 0.00 H new ATOM 0 HB3 SER A 23 31.447 -9.607 -6.698 1.00 0.00 H new ATOM 0 HG SER A 23 31.344 -9.160 -4.418 1.00 0.00 H new ATOM 294 N LYS A 24 28.000 -10.516 -8.610 1.00 0.00 N ATOM 295 CA LYS A 24 27.739 -11.375 -9.745 1.00 0.00 C ATOM 296 C LYS A 24 26.459 -10.912 -10.427 1.00 0.00 C ATOM 297 O LYS A 24 25.737 -11.690 -11.047 1.00 0.00 O ATOM 298 CB LYS A 24 27.593 -12.828 -9.276 1.00 0.00 C ATOM 299 CG LYS A 24 27.623 -13.836 -10.406 1.00 0.00 C ATOM 300 CD LYS A 24 27.159 -15.206 -9.949 1.00 0.00 C ATOM 301 CE LYS A 24 27.109 -16.180 -11.113 1.00 0.00 C ATOM 302 NZ LYS A 24 26.577 -17.504 -10.711 1.00 0.00 N ATOM 0 H LYS A 24 27.160 -10.182 -8.137 1.00 0.00 H new ATOM 0 HA LYS A 24 28.569 -11.321 -10.450 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.395 -13.057 -8.575 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.654 -12.933 -8.732 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.986 -13.489 -11.220 1.00 0.00 H new ATOM 0 HG3 LYS A 24 28.636 -13.908 -10.802 1.00 0.00 H new ATOM 0 HD2 LYS A 24 27.834 -15.585 -9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 24 26.172 -15.126 -9.494 1.00 0.00 H new ATOM 0 HE2 LYS A 24 26.486 -15.765 -11.905 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.110 -16.302 -11.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 26.561 -18.137 -11.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 27.185 -17.913 -9.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 25.611 -17.392 -10.341 1.00 0.00 H new ATOM 316 N CYS A 25 26.197 -9.634 -10.325 1.00 0.00 N ATOM 317 CA CYS A 25 24.979 -9.083 -10.846 1.00 0.00 C ATOM 318 C CYS A 25 25.083 -8.745 -12.327 1.00 0.00 C ATOM 319 O CYS A 25 26.159 -8.404 -12.833 1.00 0.00 O ATOM 320 CB CYS A 25 24.578 -7.855 -10.064 1.00 0.00 C ATOM 321 SG CYS A 25 22.942 -7.268 -10.480 1.00 0.00 S ATOM 0 H CYS A 25 26.816 -8.955 -9.883 1.00 0.00 H new ATOM 0 HA CYS A 25 24.212 -9.850 -10.738 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.617 -8.080 -8.998 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.301 -7.061 -10.249 1.00 0.00 H new ATOM 0 HG CYS A 25 22.849 -6.003 -10.195 1.00 0.00 H new ATOM 326 N GLN A 26 23.947 -8.846 -13.008 1.00 0.00 N ATOM 327 CA GLN A 26 23.838 -8.544 -14.427 1.00 0.00 C ATOM 328 C GLN A 26 22.464 -7.950 -14.740 1.00 0.00 C ATOM 329 O GLN A 26 22.065 -7.867 -15.907 1.00 0.00 O ATOM 330 CB GLN A 26 24.058 -9.814 -15.265 1.00 0.00 C ATOM 331 CG GLN A 26 25.520 -10.169 -15.489 1.00 0.00 C ATOM 332 CD GLN A 26 26.263 -9.109 -16.284 1.00 0.00 C ATOM 333 OE1 GLN A 26 25.678 -8.419 -17.123 1.00 0.00 O ATOM 334 NE2 GLN A 26 27.546 -8.966 -16.026 1.00 0.00 N ATOM 0 H GLN A 26 23.068 -9.143 -12.584 1.00 0.00 H new ATOM 0 HA GLN A 26 24.607 -7.815 -14.682 1.00 0.00 H new ATOM 0 HB2 GLN A 26 23.564 -10.651 -14.772 1.00 0.00 H new ATOM 0 HB3 GLN A 26 23.575 -9.685 -16.233 1.00 0.00 H new ATOM 0 HG2 GLN A 26 26.009 -10.304 -14.524 1.00 0.00 H new ATOM 0 HG3 GLN A 26 25.582 -11.122 -16.014 1.00 0.00 H new ATOM 0 HE21 GLN A 26 27.994 -9.556 -15.325 1.00 0.00 H new ATOM 0 HE22 GLN A 26 28.092 -8.265 -16.527 1.00 0.00 H new ATOM 343 N CYS A 27 21.749 -7.528 -13.694 1.00 0.00 N ATOM 344 CA CYS A 27 20.408 -6.974 -13.857 1.00 0.00 C ATOM 345 C CYS A 27 20.421 -5.657 -14.607 1.00 0.00 C ATOM 346 O CYS A 27 21.263 -4.787 -14.360 1.00 0.00 O ATOM 347 CB CYS A 27 19.709 -6.806 -12.509 1.00 0.00 C ATOM 348 SG CYS A 27 19.149 -8.354 -11.778 1.00 0.00 S ATOM 0 H CYS A 27 22.078 -7.560 -12.729 1.00 0.00 H new ATOM 0 HA CYS A 27 19.846 -7.692 -14.455 1.00 0.00 H new ATOM 0 HB2 CYS A 27 20.392 -6.314 -11.816 1.00 0.00 H new ATOM 0 HB3 CYS A 27 18.852 -6.144 -12.635 1.00 0.00 H new ATOM 0 HG CYS A 27 18.572 -8.112 -10.639 1.00 0.00 H new ATOM 353 N GLY A 28 19.487 -5.526 -15.526 1.00 0.00 N ATOM 354 CA GLY A 28 19.374 -4.327 -16.315 1.00 0.00 C ATOM 355 C GLY A 28 18.190 -3.478 -15.896 1.00 0.00 C ATOM 356 O GLY A 28 17.775 -3.507 -14.734 1.00 0.00 O ATOM 0 H GLY A 28 18.794 -6.242 -15.742 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.290 -3.743 -16.220 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.274 -4.594 -17.367 1.00 0.00 H new ATOM 360 N GLU A 29 17.645 -2.724 -16.841 1.00 0.00 N ATOM 361 CA GLU A 29 16.486 -1.879 -16.579 1.00 0.00 C ATOM 362 C GLU A 29 15.270 -2.738 -16.236 1.00 0.00 C ATOM 363 O GLU A 29 15.184 -3.906 -16.633 1.00 0.00 O ATOM 364 CB GLU A 29 16.187 -1.002 -17.792 1.00 0.00 C ATOM 365 CG GLU A 29 15.777 -1.792 -19.015 1.00 0.00 C ATOM 366 CD GLU A 29 15.685 -0.953 -20.251 1.00 0.00 C ATOM 367 OE1 GLU A 29 14.708 -0.198 -20.393 1.00 0.00 O ATOM 368 OE2 GLU A 29 16.582 -1.060 -21.098 1.00 0.00 O ATOM 0 H GLU A 29 17.988 -2.680 -17.800 1.00 0.00 H new ATOM 0 HA GLU A 29 16.709 -1.235 -15.728 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.392 -0.301 -17.538 1.00 0.00 H new ATOM 0 HB3 GLU A 29 17.070 -0.410 -18.030 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.496 -2.594 -19.180 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.811 -2.263 -18.830 1.00 0.00 H new ATOM 375 N GLY A 30 14.339 -2.164 -15.510 1.00 0.00 N ATOM 376 CA GLY A 30 13.172 -2.906 -15.095 1.00 0.00 C ATOM 377 C GLY A 30 13.307 -3.358 -13.665 1.00 0.00 C ATOM 378 O GLY A 30 12.334 -3.381 -12.915 1.00 0.00 O ATOM 0 H GLY A 30 14.366 -1.194 -15.197 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.283 -2.284 -15.202 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.036 -3.771 -15.744 1.00 0.00 H new ATOM 382 N CYS A 31 14.525 -3.694 -13.280 1.00 0.00 N ATOM 383 CA CYS A 31 14.804 -4.107 -11.928 1.00 0.00 C ATOM 384 C CYS A 31 14.946 -2.899 -11.029 1.00 0.00 C ATOM 385 O CYS A 31 15.689 -1.957 -11.337 1.00 0.00 O ATOM 386 CB CYS A 31 16.080 -4.944 -11.862 1.00 0.00 C ATOM 387 SG CYS A 31 16.631 -5.297 -10.174 1.00 0.00 S ATOM 0 H CYS A 31 15.339 -3.687 -13.895 1.00 0.00 H new ATOM 0 HA CYS A 31 13.968 -4.718 -11.586 1.00 0.00 H new ATOM 0 HB2 CYS A 31 15.914 -5.886 -12.385 1.00 0.00 H new ATOM 0 HB3 CYS A 31 16.875 -4.421 -12.393 1.00 0.00 H new ATOM 0 HG CYS A 31 17.716 -6.012 -10.212 1.00 0.00 H new ATOM 392 N THR A 32 14.232 -2.907 -9.934 1.00 0.00 N ATOM 393 CA THR A 32 14.330 -1.838 -8.989 1.00 0.00 C ATOM 394 C THR A 32 14.707 -2.387 -7.611 1.00 0.00 C ATOM 395 O THR A 32 14.557 -1.715 -6.589 1.00 0.00 O ATOM 396 CB THR A 32 13.026 -1.007 -8.930 1.00 0.00 C ATOM 397 OG1 THR A 32 13.276 0.233 -8.257 1.00 0.00 O ATOM 398 CG2 THR A 32 11.909 -1.768 -8.222 1.00 0.00 C ATOM 0 H THR A 32 13.577 -3.646 -9.679 1.00 0.00 H new ATOM 0 HA THR A 32 15.119 -1.162 -9.319 1.00 0.00 H new ATOM 0 HB THR A 32 12.701 -0.813 -9.952 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.796 0.065 -7.444 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.008 -1.154 -8.199 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.703 -2.694 -8.758 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.216 -2.000 -7.202 1.00 0.00 H new ATOM 406 N CYS A 33 15.234 -3.604 -7.609 1.00 0.00 N ATOM 407 CA CYS A 33 15.645 -4.263 -6.388 1.00 0.00 C ATOM 408 C CYS A 33 16.787 -3.497 -5.723 1.00 0.00 C ATOM 409 O CYS A 33 17.834 -3.271 -6.328 1.00 0.00 O ATOM 410 CB CYS A 33 16.071 -5.697 -6.681 1.00 0.00 C ATOM 411 SG CYS A 33 16.569 -6.625 -5.221 1.00 0.00 S ATOM 0 H CYS A 33 15.386 -4.156 -8.453 1.00 0.00 H new ATOM 0 HA CYS A 33 14.797 -4.281 -5.703 1.00 0.00 H new ATOM 0 HB2 CYS A 33 15.246 -6.218 -7.166 1.00 0.00 H new ATOM 0 HB3 CYS A 33 16.899 -5.682 -7.389 1.00 0.00 H new ATOM 0 HG CYS A 33 16.911 -7.830 -5.569 1.00 0.00 H new ATOM 416 N ALA A 34 16.584 -3.119 -4.473 1.00 0.00 N ATOM 417 CA ALA A 34 17.569 -2.330 -3.737 1.00 0.00 C ATOM 418 C ALA A 34 18.787 -3.164 -3.336 1.00 0.00 C ATOM 419 O ALA A 34 19.802 -2.623 -2.893 1.00 0.00 O ATOM 420 CB ALA A 34 16.927 -1.706 -2.507 1.00 0.00 C ATOM 0 H ALA A 34 15.744 -3.345 -3.941 1.00 0.00 H new ATOM 0 HA ALA A 34 17.920 -1.540 -4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 34 17.670 -1.120 -1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.107 -1.057 -2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 34 16.543 -2.493 -1.858 1.00 0.00 H new ATOM 426 N ALA A 35 18.690 -4.472 -3.505 1.00 0.00 N ATOM 427 CA ALA A 35 19.769 -5.370 -3.123 1.00 0.00 C ATOM 428 C ALA A 35 20.943 -5.300 -4.099 1.00 0.00 C ATOM 429 O ALA A 35 22.103 -5.300 -3.685 1.00 0.00 O ATOM 430 CB ALA A 35 19.258 -6.793 -3.011 1.00 0.00 C ATOM 0 H ALA A 35 17.875 -4.937 -3.905 1.00 0.00 H new ATOM 0 HA ALA A 35 20.135 -5.046 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.077 -7.452 -2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.474 -6.840 -2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 35 18.855 -7.112 -3.972 1.00 0.00 H new ATOM 436 N CYS A 36 20.646 -5.237 -5.384 1.00 0.00 N ATOM 437 CA CYS A 36 21.692 -5.214 -6.396 1.00 0.00 C ATOM 438 C CYS A 36 21.788 -3.860 -7.123 1.00 0.00 C ATOM 439 O CYS A 36 22.772 -3.589 -7.821 1.00 0.00 O ATOM 440 CB CYS A 36 21.483 -6.365 -7.376 1.00 0.00 C ATOM 441 SG CYS A 36 19.774 -6.563 -7.914 1.00 0.00 S ATOM 0 H CYS A 36 19.696 -5.201 -5.753 1.00 0.00 H new ATOM 0 HA CYS A 36 22.649 -5.346 -5.891 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.113 -6.204 -8.251 1.00 0.00 H new ATOM 0 HB3 CYS A 36 21.817 -7.292 -6.910 1.00 0.00 H new ATOM 0 HG CYS A 36 19.693 -7.560 -8.744 1.00 0.00 H new ATOM 446 N LYS A 37 20.779 -3.010 -6.959 1.00 0.00 N ATOM 447 CA LYS A 37 20.815 -1.682 -7.564 1.00 0.00 C ATOM 448 C LYS A 37 21.712 -0.747 -6.754 1.00 0.00 C ATOM 449 O LYS A 37 21.368 -0.352 -5.635 1.00 0.00 O ATOM 450 CB LYS A 37 19.407 -1.083 -7.688 1.00 0.00 C ATOM 451 CG LYS A 37 19.396 0.350 -8.213 1.00 0.00 C ATOM 452 CD LYS A 37 17.990 0.934 -8.252 1.00 0.00 C ATOM 453 CE LYS A 37 17.170 0.373 -9.400 1.00 0.00 C ATOM 454 NZ LYS A 37 15.816 0.991 -9.467 1.00 0.00 N ATOM 0 H LYS A 37 19.937 -3.212 -6.420 1.00 0.00 H new ATOM 0 HA LYS A 37 21.227 -1.789 -8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 37 18.812 -1.709 -8.353 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.924 -1.107 -6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 37 20.029 0.972 -7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 37 19.825 0.372 -9.215 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.484 0.724 -7.309 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.051 2.018 -8.346 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.695 0.545 -10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.072 -0.706 -9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.377 0.768 -10.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.224 0.615 -8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.900 2.023 -9.366 1.00 0.00 H new ATOM 468 N THR A 38 22.863 -0.421 -7.308 1.00 0.00 N ATOM 469 CA THR A 38 23.793 0.485 -6.665 1.00 0.00 C ATOM 470 C THR A 38 24.126 1.644 -7.611 1.00 0.00 C ATOM 471 O THR A 38 23.887 1.546 -8.815 1.00 0.00 O ATOM 472 CB THR A 38 25.093 -0.250 -6.232 1.00 0.00 C ATOM 473 OG1 THR A 38 25.914 0.623 -5.457 1.00 0.00 O ATOM 474 CG2 THR A 38 25.878 -0.747 -7.440 1.00 0.00 C ATOM 0 H THR A 38 23.178 -0.774 -8.211 1.00 0.00 H new ATOM 0 HA THR A 38 23.320 0.878 -5.765 1.00 0.00 H new ATOM 0 HB THR A 38 24.804 -1.112 -5.631 1.00 0.00 H new ATOM 0 HG1 THR A 38 26.730 0.151 -5.187 1.00 0.00 H new ATOM 0 HG21 THR A 38 26.781 -1.256 -7.103 1.00 0.00 H new ATOM 0 HG22 THR A 38 25.263 -1.441 -8.013 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.152 0.100 -8.069 1.00 0.00 H new ATOM 482 N CYS A 39 24.664 2.727 -7.067 1.00 0.00 N ATOM 483 CA CYS A 39 24.995 3.909 -7.860 1.00 0.00 C ATOM 484 C CYS A 39 26.289 4.553 -7.356 1.00 0.00 C ATOM 485 O CYS A 39 26.682 4.359 -6.197 1.00 0.00 O ATOM 486 CB CYS A 39 23.836 4.917 -7.802 1.00 0.00 C ATOM 487 SG CYS A 39 24.136 6.489 -8.651 1.00 0.00 S ATOM 0 H CYS A 39 24.882 2.814 -6.074 1.00 0.00 H new ATOM 0 HA CYS A 39 25.149 3.604 -8.895 1.00 0.00 H new ATOM 0 HB2 CYS A 39 22.950 4.452 -8.235 1.00 0.00 H new ATOM 0 HB3 CYS A 39 23.609 5.125 -6.756 1.00 0.00 H new ATOM 0 HG CYS A 39 24.515 7.383 -7.787 1.00 0.00 H new ATOM 492 N ASN A 40 26.950 5.303 -8.228 1.00 0.00 N ATOM 493 CA ASN A 40 28.197 5.978 -7.876 1.00 0.00 C ATOM 494 C ASN A 40 28.005 7.483 -7.734 1.00 0.00 C ATOM 495 O ASN A 40 28.817 8.159 -7.099 1.00 0.00 O ATOM 496 CB ASN A 40 29.305 5.669 -8.884 1.00 0.00 C ATOM 497 CG ASN A 40 30.094 4.422 -8.521 1.00 0.00 C ATOM 498 OD1 ASN A 40 31.131 4.501 -7.859 1.00 0.00 O ATOM 499 ND2 ASN A 40 29.610 3.270 -8.939 1.00 0.00 N ATOM 0 H ASN A 40 26.644 5.461 -9.188 1.00 0.00 H new ATOM 0 HA ASN A 40 28.504 5.589 -6.905 1.00 0.00 H new ATOM 0 HB2 ASN A 40 28.866 5.541 -9.873 1.00 0.00 H new ATOM 0 HB3 ASN A 40 29.984 6.520 -8.944 1.00 0.00 H new ATOM 0 HD21 ASN A 40 30.097 2.402 -8.717 1.00 0.00 H new ATOM 0 HD22 ASN A 40 28.749 3.247 -9.485 1.00 0.00 H new ATOM 506 N CYS A 41 26.947 8.020 -8.335 1.00 0.00 N ATOM 507 CA CYS A 41 26.642 9.425 -8.170 1.00 0.00 C ATOM 508 C CYS A 41 25.968 9.606 -6.823 1.00 0.00 C ATOM 509 O CYS A 41 25.120 8.809 -6.438 1.00 0.00 O ATOM 510 CB CYS A 41 25.746 9.941 -9.308 1.00 0.00 C ATOM 511 SG CYS A 41 26.488 9.806 -10.975 1.00 0.00 S ATOM 0 H CYS A 41 26.298 7.506 -8.931 1.00 0.00 H new ATOM 0 HA CYS A 41 27.563 10.007 -8.208 1.00 0.00 H new ATOM 0 HB2 CYS A 41 24.808 9.386 -9.295 1.00 0.00 H new ATOM 0 HB3 CYS A 41 25.501 10.986 -9.116 1.00 0.00 H new ATOM 0 HG CYS A 41 25.585 10.063 -11.874 1.00 0.00 H new ATOM 516 N THR A 42 26.352 10.624 -6.100 1.00 0.00 N ATOM 517 CA THR A 42 25.843 10.815 -4.761 1.00 0.00 C ATOM 518 C THR A 42 25.097 12.134 -4.617 1.00 0.00 C ATOM 519 O THR A 42 24.949 12.881 -5.586 1.00 0.00 O ATOM 520 CB THR A 42 26.985 10.743 -3.737 1.00 0.00 C ATOM 521 OG1 THR A 42 28.069 11.593 -4.154 1.00 0.00 O ATOM 522 CG2 THR A 42 27.486 9.315 -3.592 1.00 0.00 C ATOM 0 H THR A 42 27.014 11.335 -6.412 1.00 0.00 H new ATOM 0 HA THR A 42 25.134 10.010 -4.568 1.00 0.00 H new ATOM 0 HB THR A 42 26.605 11.081 -2.773 1.00 0.00 H new ATOM 0 HG1 THR A 42 28.794 11.545 -3.497 1.00 0.00 H new ATOM 0 HG21 THR A 42 28.295 9.286 -2.862 1.00 0.00 H new ATOM 0 HG22 THR A 42 26.670 8.676 -3.255 1.00 0.00 H new ATOM 0 HG23 THR A 42 27.853 8.959 -4.555 1.00 0.00 H new ATOM 530 N SER A 43 24.642 12.422 -3.393 1.00 0.00 N ATOM 531 CA SER A 43 23.885 13.637 -3.094 1.00 0.00 C ATOM 532 C SER A 43 24.713 14.900 -3.352 1.00 0.00 C ATOM 533 O SER A 43 24.185 16.014 -3.365 1.00 0.00 O ATOM 534 CB SER A 43 23.391 13.594 -1.649 1.00 0.00 C ATOM 535 OG SER A 43 24.422 13.156 -0.776 1.00 0.00 O ATOM 0 H SER A 43 24.789 11.818 -2.584 1.00 0.00 H new ATOM 0 HA SER A 43 23.026 13.677 -3.764 1.00 0.00 H new ATOM 0 HB2 SER A 43 23.049 14.584 -1.347 1.00 0.00 H new ATOM 0 HB3 SER A 43 22.535 12.924 -1.573 1.00 0.00 H new ATOM 0 HG SER A 43 24.085 13.137 0.144 1.00 0.00 H new ATOM 541 N ASP A 44 26.008 14.718 -3.541 1.00 0.00 N ATOM 542 CA ASP A 44 26.898 15.815 -3.879 1.00 0.00 C ATOM 543 C ASP A 44 26.567 16.342 -5.275 1.00 0.00 C ATOM 544 O ASP A 44 26.743 17.521 -5.568 1.00 0.00 O ATOM 545 CB ASP A 44 28.351 15.347 -3.818 1.00 0.00 C ATOM 546 CG ASP A 44 29.334 16.409 -4.245 1.00 0.00 C ATOM 547 OD1 ASP A 44 29.366 17.482 -3.612 1.00 0.00 O ATOM 548 OD2 ASP A 44 30.105 16.157 -5.194 1.00 0.00 O ATOM 0 H ASP A 44 26.470 13.812 -3.465 1.00 0.00 H new ATOM 0 HA ASP A 44 26.761 16.621 -3.158 1.00 0.00 H new ATOM 0 HB2 ASP A 44 28.583 15.034 -2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 44 28.471 14.471 -4.456 1.00 0.00 H new ATOM 553 N GLY A 45 26.065 15.458 -6.121 1.00 0.00 N ATOM 554 CA GLY A 45 25.695 15.836 -7.460 1.00 0.00 C ATOM 555 C GLY A 45 25.876 14.699 -8.435 1.00 0.00 C ATOM 556 O GLY A 45 26.648 13.769 -8.176 1.00 0.00 O ATOM 0 H GLY A 45 25.907 14.475 -5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 45 24.655 16.162 -7.471 1.00 0.00 H new ATOM 0 HA3 GLY A 45 26.299 16.686 -7.777 1.00 0.00 H new ATOM 560 N CYS A 46 25.169 14.763 -9.545 1.00 0.00 N ATOM 561 CA CYS A 46 25.273 13.746 -10.568 1.00 0.00 C ATOM 562 C CYS A 46 26.593 13.884 -11.289 1.00 0.00 C ATOM 563 O CYS A 46 27.004 14.990 -11.644 1.00 0.00 O ATOM 564 CB CYS A 46 24.125 13.862 -11.562 1.00 0.00 C ATOM 565 SG CYS A 46 24.170 12.622 -12.875 1.00 0.00 S ATOM 0 H CYS A 46 24.513 15.514 -9.761 1.00 0.00 H new ATOM 0 HA CYS A 46 25.219 12.767 -10.093 1.00 0.00 H new ATOM 0 HB2 CYS A 46 23.181 13.774 -11.024 1.00 0.00 H new ATOM 0 HB3 CYS A 46 24.145 14.855 -12.012 1.00 0.00 H new ATOM 0 HG CYS A 46 23.713 11.493 -12.421 1.00 0.00 H new ATOM 570 N LYS A 47 27.262 12.776 -11.501 1.00 0.00 N ATOM 571 CA LYS A 47 28.559 12.800 -12.138 1.00 0.00 C ATOM 572 C LYS A 47 28.574 11.965 -13.409 1.00 0.00 C ATOM 573 O LYS A 47 29.579 11.924 -14.119 1.00 0.00 O ATOM 574 CB LYS A 47 29.631 12.327 -11.155 1.00 0.00 C ATOM 575 CG LYS A 47 29.760 13.232 -9.938 1.00 0.00 C ATOM 576 CD LYS A 47 30.695 12.656 -8.894 1.00 0.00 C ATOM 577 CE LYS A 47 30.815 13.589 -7.699 1.00 0.00 C ATOM 578 NZ LYS A 47 31.681 13.025 -6.638 1.00 0.00 N ATOM 0 H LYS A 47 26.931 11.847 -11.242 1.00 0.00 H new ATOM 0 HA LYS A 47 28.778 13.827 -12.429 1.00 0.00 H new ATOM 0 HB2 LYS A 47 29.394 11.315 -10.826 1.00 0.00 H new ATOM 0 HB3 LYS A 47 30.591 12.278 -11.668 1.00 0.00 H new ATOM 0 HG2 LYS A 47 30.126 14.210 -10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 47 28.776 13.387 -9.496 1.00 0.00 H new ATOM 0 HD2 LYS A 47 30.326 11.684 -8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 47 31.679 12.492 -9.333 1.00 0.00 H new ATOM 0 HE2 LYS A 47 31.220 14.547 -8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 47 29.823 13.785 -7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 31.735 13.693 -5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 31.282 12.124 -6.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 32.635 12.862 -7.019 1.00 0.00 H new ATOM 592 N CYS A 48 27.465 11.308 -13.704 1.00 0.00 N ATOM 593 CA CYS A 48 27.379 10.497 -14.904 1.00 0.00 C ATOM 594 C CYS A 48 26.663 11.271 -16.013 1.00 0.00 C ATOM 595 O CYS A 48 27.036 11.186 -17.183 1.00 0.00 O ATOM 596 CB CYS A 48 26.643 9.184 -14.619 1.00 0.00 C ATOM 597 SG CYS A 48 24.854 9.289 -14.807 1.00 0.00 S ATOM 0 H CYS A 48 26.619 11.320 -13.134 1.00 0.00 H new ATOM 0 HA CYS A 48 28.391 10.261 -15.232 1.00 0.00 H new ATOM 0 HB2 CYS A 48 27.024 8.413 -15.289 1.00 0.00 H new ATOM 0 HB3 CYS A 48 26.873 8.864 -13.603 1.00 0.00 H new ATOM 0 HG CYS A 48 24.288 9.178 -13.642 1.00 0.00 H new ATOM 602 N GLY A 49 25.642 12.040 -15.632 1.00 0.00 N ATOM 603 CA GLY A 49 24.897 12.810 -16.601 1.00 0.00 C ATOM 604 C GLY A 49 23.435 12.390 -16.700 1.00 0.00 C ATOM 605 O GLY A 49 22.768 12.686 -17.692 1.00 0.00 O ATOM 0 H GLY A 49 25.323 12.139 -14.668 1.00 0.00 H new ATOM 0 HA2 GLY A 49 24.949 13.866 -16.335 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.366 12.704 -17.579 1.00 0.00 H new ATOM 609 N LYS A 50 22.934 11.702 -15.680 1.00 0.00 N ATOM 610 CA LYS A 50 21.542 11.252 -15.663 1.00 0.00 C ATOM 611 C LYS A 50 20.753 11.955 -14.573 1.00 0.00 C ATOM 612 O LYS A 50 19.607 11.599 -14.296 1.00 0.00 O ATOM 613 CB LYS A 50 21.457 9.735 -15.484 1.00 0.00 C ATOM 614 CG LYS A 50 21.755 8.945 -16.750 1.00 0.00 C ATOM 615 CD LYS A 50 20.668 9.152 -17.798 1.00 0.00 C ATOM 616 CE LYS A 50 20.937 8.338 -19.051 1.00 0.00 C ATOM 617 NZ LYS A 50 22.170 8.779 -19.749 1.00 0.00 N ATOM 0 H LYS A 50 23.470 11.442 -14.852 1.00 0.00 H new ATOM 0 HA LYS A 50 21.102 11.510 -16.626 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.157 9.432 -14.705 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.458 9.476 -15.133 1.00 0.00 H new ATOM 0 HG2 LYS A 50 22.718 9.253 -17.156 1.00 0.00 H new ATOM 0 HG3 LYS A 50 21.835 7.885 -16.510 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.701 8.870 -17.381 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.608 10.209 -18.056 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.028 7.285 -18.786 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.087 8.424 -19.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.243 8.292 -20.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.132 9.807 -19.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 23.000 8.548 -19.167 1.00 0.00 H new ATOM 631 N GLU A 51 21.384 12.950 -13.956 1.00 0.00 N ATOM 632 CA GLU A 51 20.768 13.766 -12.908 1.00 0.00 C ATOM 633 C GLU A 51 20.438 12.929 -11.653 1.00 0.00 C ATOM 634 O GLU A 51 19.667 13.353 -10.788 1.00 0.00 O ATOM 635 CB GLU A 51 19.516 14.474 -13.454 1.00 0.00 C ATOM 636 CG GLU A 51 19.043 15.639 -12.607 1.00 0.00 C ATOM 637 CD GLU A 51 20.149 16.632 -12.331 1.00 0.00 C ATOM 638 OE1 GLU A 51 20.617 17.288 -13.281 1.00 0.00 O ATOM 639 OE2 GLU A 51 20.557 16.760 -11.159 1.00 0.00 O ATOM 0 H GLU A 51 22.345 13.217 -14.169 1.00 0.00 H new ATOM 0 HA GLU A 51 21.488 14.525 -12.602 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.726 14.833 -14.462 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.708 13.747 -13.536 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.222 16.145 -13.115 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.651 15.263 -11.662 1.00 0.00 H new ATOM 646 N CYS A 52 21.046 11.764 -11.546 1.00 0.00 N ATOM 647 CA CYS A 52 20.823 10.892 -10.411 1.00 0.00 C ATOM 648 C CYS A 52 21.819 11.203 -9.303 1.00 0.00 C ATOM 649 O CYS A 52 22.908 11.716 -9.562 1.00 0.00 O ATOM 650 CB CYS A 52 20.941 9.432 -10.838 1.00 0.00 C ATOM 651 SG CYS A 52 22.487 9.035 -11.674 1.00 0.00 S ATOM 0 H CYS A 52 21.702 11.398 -12.236 1.00 0.00 H new ATOM 0 HA CYS A 52 19.816 11.063 -10.030 1.00 0.00 H new ATOM 0 HB2 CYS A 52 20.843 8.798 -9.957 1.00 0.00 H new ATOM 0 HB3 CYS A 52 20.109 9.189 -11.500 1.00 0.00 H new ATOM 0 HG CYS A 52 22.495 7.775 -11.996 1.00 0.00 H new ATOM 656 N THR A 53 21.440 10.920 -8.072 1.00 0.00 N ATOM 657 CA THR A 53 22.306 11.183 -6.939 1.00 0.00 C ATOM 658 C THR A 53 22.242 10.041 -5.936 1.00 0.00 C ATOM 659 O THR A 53 22.236 10.262 -4.723 1.00 0.00 O ATOM 660 CB THR A 53 21.919 12.492 -6.229 1.00 0.00 C ATOM 661 OG1 THR A 53 20.524 12.477 -5.882 1.00 0.00 O ATOM 662 CG2 THR A 53 22.211 13.702 -7.100 1.00 0.00 C ATOM 0 H THR A 53 20.539 10.508 -7.831 1.00 0.00 H new ATOM 0 HA THR A 53 23.321 11.276 -7.326 1.00 0.00 H new ATOM 0 HB THR A 53 22.520 12.566 -5.323 1.00 0.00 H new ATOM 0 HG1 THR A 53 20.290 13.314 -5.430 1.00 0.00 H new ATOM 0 HG21 THR A 53 21.926 14.610 -6.569 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.276 13.736 -7.331 1.00 0.00 H new ATOM 0 HG23 THR A 53 21.641 13.630 -8.026 1.00 0.00 H new ATOM 670 N GLY A 54 22.205 8.833 -6.441 1.00 0.00 N ATOM 671 CA GLY A 54 22.111 7.682 -5.583 1.00 0.00 C ATOM 672 C GLY A 54 21.248 6.610 -6.194 1.00 0.00 C ATOM 673 O GLY A 54 20.488 6.891 -7.112 1.00 0.00 O ATOM 0 H GLY A 54 22.238 8.623 -7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.108 7.285 -5.394 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.698 7.978 -4.619 1.00 0.00 H new ATOM 677 N PRO A 55 21.325 5.371 -5.688 1.00 0.00 N ATOM 678 CA PRO A 55 20.587 4.226 -6.248 1.00 0.00 C ATOM 679 C PRO A 55 19.068 4.420 -6.276 1.00 0.00 C ATOM 680 O PRO A 55 18.389 3.878 -7.142 1.00 0.00 O ATOM 681 CB PRO A 55 20.959 3.063 -5.316 1.00 0.00 C ATOM 682 CG PRO A 55 21.492 3.709 -4.081 1.00 0.00 C ATOM 683 CD PRO A 55 22.141 4.980 -4.531 1.00 0.00 C ATOM 0 HA PRO A 55 20.855 4.068 -7.293 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.090 2.443 -5.093 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.705 2.414 -5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 55 20.692 3.910 -3.369 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.210 3.060 -3.579 1.00 0.00 H new ATOM 0 HD2 PRO A 55 22.126 5.740 -3.750 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.185 4.826 -4.806 1.00 0.00 H new ATOM 691 N ASP A 56 18.544 5.203 -5.344 1.00 0.00 N ATOM 692 CA ASP A 56 17.099 5.424 -5.267 1.00 0.00 C ATOM 693 C ASP A 56 16.627 6.355 -6.382 1.00 0.00 C ATOM 694 O ASP A 56 15.551 6.169 -6.945 1.00 0.00 O ATOM 695 CB ASP A 56 16.711 5.999 -3.901 1.00 0.00 C ATOM 696 CG ASP A 56 15.206 6.082 -3.702 1.00 0.00 C ATOM 697 OD1 ASP A 56 14.621 5.124 -3.147 1.00 0.00 O ATOM 698 OD2 ASP A 56 14.601 7.107 -4.087 1.00 0.00 O ATOM 0 H ASP A 56 19.088 5.694 -4.635 1.00 0.00 H new ATOM 0 HA ASP A 56 16.608 4.459 -5.393 1.00 0.00 H new ATOM 0 HB2 ASP A 56 17.143 5.379 -3.115 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.142 6.994 -3.795 1.00 0.00 H new ATOM 703 N SER A 57 17.447 7.342 -6.707 1.00 0.00 N ATOM 704 CA SER A 57 17.106 8.307 -7.744 1.00 0.00 C ATOM 705 C SER A 57 17.678 7.884 -9.096 1.00 0.00 C ATOM 706 O SER A 57 17.343 8.458 -10.139 1.00 0.00 O ATOM 707 CB SER A 57 17.618 9.697 -7.358 1.00 0.00 C ATOM 708 OG SER A 57 19.005 9.665 -7.035 1.00 0.00 O ATOM 0 H SER A 57 18.355 7.497 -6.268 1.00 0.00 H new ATOM 0 HA SER A 57 16.020 8.343 -7.835 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.450 10.391 -8.182 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.052 10.072 -6.505 1.00 0.00 H new ATOM 0 HG SER A 57 19.203 10.361 -6.374 1.00 0.00 H new ATOM 714 N CYS A 58 18.537 6.883 -9.066 1.00 0.00 N ATOM 715 CA CYS A 58 19.178 6.379 -10.259 1.00 0.00 C ATOM 716 C CYS A 58 18.171 5.662 -11.148 1.00 0.00 C ATOM 717 O CYS A 58 17.362 4.853 -10.677 1.00 0.00 O ATOM 718 CB CYS A 58 20.326 5.442 -9.883 1.00 0.00 C ATOM 719 SG CYS A 58 21.331 4.899 -11.275 1.00 0.00 S ATOM 0 H CYS A 58 18.808 6.398 -8.211 1.00 0.00 H new ATOM 0 HA CYS A 58 19.584 7.222 -10.818 1.00 0.00 H new ATOM 0 HB2 CYS A 58 20.969 5.946 -9.162 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.914 4.565 -9.384 1.00 0.00 H new ATOM 0 HG CYS A 58 21.224 5.755 -12.248 1.00 0.00 H new ATOM 724 N LYS A 59 18.211 5.972 -12.426 1.00 0.00 N ATOM 725 CA LYS A 59 17.307 5.371 -13.389 1.00 0.00 C ATOM 726 C LYS A 59 18.089 4.479 -14.346 1.00 0.00 C ATOM 727 O LYS A 59 17.512 3.757 -15.163 1.00 0.00 O ATOM 728 CB LYS A 59 16.587 6.468 -14.176 1.00 0.00 C ATOM 729 CG LYS A 59 15.500 5.954 -15.107 1.00 0.00 C ATOM 730 CD LYS A 59 15.062 7.017 -16.096 1.00 0.00 C ATOM 731 CE LYS A 59 14.507 8.244 -15.398 1.00 0.00 C ATOM 732 NZ LYS A 59 14.078 9.276 -16.365 1.00 0.00 N ATOM 0 H LYS A 59 18.866 6.643 -12.827 1.00 0.00 H new ATOM 0 HA LYS A 59 16.570 4.767 -12.859 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.144 7.173 -13.473 1.00 0.00 H new ATOM 0 HB3 LYS A 59 17.321 7.021 -14.762 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.867 5.082 -15.648 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.642 5.627 -14.520 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.909 7.305 -16.718 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.304 6.604 -16.761 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.661 7.956 -14.774 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.266 8.660 -14.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.704 10.099 -15.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.891 9.569 -16.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.336 8.887 -16.982 1.00 0.00 H new ATOM 746 N CYS A 60 19.396 4.532 -14.230 1.00 0.00 N ATOM 747 CA CYS A 60 20.279 3.792 -15.100 1.00 0.00 C ATOM 748 C CYS A 60 20.100 2.291 -14.923 1.00 0.00 C ATOM 749 O CYS A 60 20.230 1.754 -13.818 1.00 0.00 O ATOM 750 CB CYS A 60 21.712 4.193 -14.818 1.00 0.00 C ATOM 751 SG CYS A 60 21.929 5.976 -14.650 1.00 0.00 S ATOM 0 H CYS A 60 19.878 5.092 -13.527 1.00 0.00 H new ATOM 0 HA CYS A 60 20.031 4.031 -16.134 1.00 0.00 H new ATOM 0 HB2 CYS A 60 22.046 3.705 -13.903 1.00 0.00 H new ATOM 0 HB3 CYS A 60 22.350 3.830 -15.624 1.00 0.00 H new ATOM 0 HG CYS A 60 23.179 6.240 -14.408 1.00 0.00 H new ATOM 756 N GLY A 61 19.825 1.618 -16.017 1.00 0.00 N ATOM 757 CA GLY A 61 19.613 0.189 -15.984 1.00 0.00 C ATOM 758 C GLY A 61 20.901 -0.563 -16.169 1.00 0.00 C ATOM 759 O GLY A 61 20.990 -1.463 -17.012 1.00 0.00 O ATOM 0 H GLY A 61 19.743 2.038 -16.943 1.00 0.00 H new ATOM 0 HA2 GLY A 61 19.160 -0.091 -15.033 1.00 0.00 H new ATOM 0 HA3 GLY A 61 18.910 -0.094 -16.767 1.00 0.00 H new ATOM 763 N SER A 62 21.907 -0.178 -15.381 1.00 0.00 N ATOM 764 CA SER A 62 23.232 -0.777 -15.434 1.00 0.00 C ATOM 765 C SER A 62 23.922 -0.473 -16.766 1.00 0.00 C ATOM 766 O SER A 62 23.393 0.282 -17.583 1.00 0.00 O ATOM 767 CB SER A 62 23.157 -2.279 -15.162 1.00 0.00 C ATOM 768 OG SER A 62 22.618 -2.515 -13.868 1.00 0.00 O ATOM 0 H SER A 62 21.819 0.563 -14.686 1.00 0.00 H new ATOM 0 HA SER A 62 23.842 -0.331 -14.648 1.00 0.00 H new ATOM 0 HB2 SER A 62 22.537 -2.763 -15.917 1.00 0.00 H new ATOM 0 HB3 SER A 62 24.151 -2.720 -15.236 1.00 0.00 H new ATOM 0 HG SER A 62 22.092 -3.342 -13.878 1.00 0.00 H new ATOM 774 N SER A 63 25.126 -1.020 -16.951 1.00 0.00 N ATOM 775 CA SER A 63 25.922 -0.799 -18.167 1.00 0.00 C ATOM 776 C SER A 63 26.364 0.672 -18.279 1.00 0.00 C ATOM 777 O SER A 63 26.946 1.092 -19.280 1.00 0.00 O ATOM 778 CB SER A 63 25.130 -1.225 -19.413 1.00 0.00 C ATOM 779 OG SER A 63 24.572 -2.523 -19.242 1.00 0.00 O ATOM 0 H SER A 63 25.578 -1.627 -16.267 1.00 0.00 H new ATOM 0 HA SER A 63 26.819 -1.414 -18.101 1.00 0.00 H new ATOM 0 HB2 SER A 63 24.334 -0.506 -19.606 1.00 0.00 H new ATOM 0 HB3 SER A 63 25.785 -1.218 -20.285 1.00 0.00 H new ATOM 0 HG SER A 63 24.071 -2.772 -20.047 1.00 0.00 H new ATOM 785 N CYS A 64 26.093 1.440 -17.233 1.00 0.00 N ATOM 786 CA CYS A 64 26.437 2.841 -17.202 1.00 0.00 C ATOM 787 C CYS A 64 27.720 3.048 -16.399 1.00 0.00 C ATOM 788 O CYS A 64 28.171 2.141 -15.691 1.00 0.00 O ATOM 789 CB CYS A 64 25.271 3.659 -16.617 1.00 0.00 C ATOM 790 SG CYS A 64 25.520 5.453 -16.637 1.00 0.00 S ATOM 0 H CYS A 64 25.630 1.104 -16.388 1.00 0.00 H new ATOM 0 HA CYS A 64 26.616 3.191 -18.219 1.00 0.00 H new ATOM 0 HB2 CYS A 64 24.365 3.425 -17.176 1.00 0.00 H new ATOM 0 HB3 CYS A 64 25.102 3.341 -15.588 1.00 0.00 H new ATOM 0 HG CYS A 64 24.480 6.041 -16.125 1.00 0.00 H new ATOM 795 N SER A 65 28.289 4.235 -16.500 1.00 0.00 N ATOM 796 CA SER A 65 29.553 4.556 -15.857 1.00 0.00 C ATOM 797 C SER A 65 29.455 4.547 -14.328 1.00 0.00 C ATOM 798 O SER A 65 30.430 4.241 -13.639 1.00 0.00 O ATOM 799 CB SER A 65 30.041 5.918 -16.348 1.00 0.00 C ATOM 800 OG SER A 65 29.013 6.897 -16.234 1.00 0.00 O ATOM 0 H SER A 65 27.887 5.007 -17.032 1.00 0.00 H new ATOM 0 HA SER A 65 30.269 3.781 -16.130 1.00 0.00 H new ATOM 0 HB2 SER A 65 30.910 6.228 -15.768 1.00 0.00 H new ATOM 0 HB3 SER A 65 30.362 5.841 -17.387 1.00 0.00 H new ATOM 0 HG SER A 65 29.348 7.761 -16.552 1.00 0.00 H new ATOM 806 N CYS A 66 28.288 4.872 -13.802 1.00 0.00 N ATOM 807 CA CYS A 66 28.110 4.935 -12.362 1.00 0.00 C ATOM 808 C CYS A 66 27.563 3.619 -11.808 1.00 0.00 C ATOM 809 O CYS A 66 27.438 3.450 -10.596 1.00 0.00 O ATOM 810 CB CYS A 66 27.171 6.079 -12.003 1.00 0.00 C ATOM 811 SG CYS A 66 25.478 5.811 -12.520 1.00 0.00 S ATOM 0 H CYS A 66 27.454 5.095 -14.346 1.00 0.00 H new ATOM 0 HA CYS A 66 29.087 5.110 -11.911 1.00 0.00 H new ATOM 0 HB2 CYS A 66 27.192 6.229 -10.924 1.00 0.00 H new ATOM 0 HB3 CYS A 66 27.540 6.997 -12.460 1.00 0.00 H new ATOM 0 HG CYS A 66 24.751 6.831 -12.172 1.00 0.00 H new ATOM 816 N LYS A 67 27.253 2.684 -12.690 1.00 0.00 N ATOM 817 CA LYS A 67 26.695 1.410 -12.262 1.00 0.00 C ATOM 818 C LYS A 67 27.774 0.341 -12.153 1.00 0.00 C ATOM 819 O LYS A 67 28.014 -0.371 -13.177 1.00 0.00 O ATOM 820 CB LYS A 67 25.585 0.956 -13.215 1.00 0.00 C ATOM 821 CG LYS A 67 24.368 1.864 -13.204 1.00 0.00 C ATOM 822 CD LYS A 67 23.745 1.932 -11.818 1.00 0.00 C ATOM 823 CE LYS A 67 22.416 1.184 -11.739 1.00 0.00 C ATOM 824 NZ LYS A 67 22.583 -0.297 -11.852 1.00 0.00 N ATOM 0 H LYS A 67 27.376 2.780 -13.698 1.00 0.00 H new ATOM 0 HA LYS A 67 26.264 1.554 -11.271 1.00 0.00 H new ATOM 0 HB2 LYS A 67 25.984 0.909 -14.228 1.00 0.00 H new ATOM 0 HB3 LYS A 67 25.277 -0.054 -12.946 1.00 0.00 H new ATOM 0 HG2 LYS A 67 24.655 2.865 -13.526 1.00 0.00 H new ATOM 0 HG3 LYS A 67 23.631 1.498 -13.919 1.00 0.00 H new ATOM 0 HD2 LYS A 67 24.439 1.512 -11.090 1.00 0.00 H new ATOM 0 HD3 LYS A 67 23.588 2.975 -11.544 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.926 1.420 -10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 67 21.758 1.534 -12.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 21.849 -0.773 -11.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 22.494 -0.581 -12.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 23.522 -0.569 -11.497 1.00 0.00 H new