USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=34 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 71:sc= 0.416 USER MOD Set 1.2: A 41 CYS SG : rot 157:sc= -0.4 USER MOD Set 1.3: A 46 CYS SG : rot -1:sc= 1.38 USER MOD Set 1.4: A 48 CYS SG : rot -33:sc= -1.18! USER MOD Set 1.5: A 52 CYS SG : rot 118:sc= 0.549 USER MOD Set 1.6: A 58 CYS SG : rot 106:sc= 0.95 USER MOD Set 1.7: A 60 CYS SG : rot 17:sc= -0.536 USER MOD Set 1.8: A 64 CYS SG : rot -121:sc= -0.468 USER MOD Set 1.9: A 66 CYS SG : rot -118:sc= -2.03! USER MOD Set 1.10: A 67 LYS NZ :NH3+ 140:sc= 2.37 (180deg=0.599) USER MOD Set 2.1: A 10 CYS SG : rot 120:sc= -3.98! USER MOD Set 2.2: A 14 CYS SG : rot 89:sc= 0.13 USER MOD Set 2.3: A 19 CYS SG : rot -169:sc= -6.28! USER MOD Set 2.4: A 21 CYS SG : rot 174:sc= -4.21! USER MOD Set 2.5: A 25 CYS SG : rot -27:sc= -2.61! USER MOD Set 2.6: A 27 CYS SG : rot 144:sc= 0.847 USER MOD Set 2.7: A 31 CYS SG : rot 171:sc= -2! USER MOD Set 2.8: A 33 CYS SG : rot -150:sc= 0.273 USER MOD Set 2.9: A 36 CYS SG : rot 129:sc= -2.23! USER MOD Set 2.10: A 37 LYS NZ :NH3+ -151:sc= 1.78 (180deg=0) USER MOD Set 2.11: A 62 SER OG : rot 76:sc= -0.784! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 16 SER OG : rot 73:sc= 1.27 USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-0.55,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 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 19:sc= 0.937 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00945 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.41) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 16:sc= 0.761 USER MOD Single : A 57 SER OG : rot 180:sc= 0 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 Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N LYS A 9 -17.853 22.716 -14.980 1.00 0.00 N ATOM 99 CA LYS A 9 -18.101 23.045 -13.589 1.00 0.00 C ATOM 100 C LYS A 9 -18.576 24.482 -13.486 1.00 0.00 C ATOM 101 O LYS A 9 -19.151 24.898 -12.480 1.00 0.00 O ATOM 102 CB LYS A 9 -16.814 22.875 -12.777 1.00 0.00 C ATOM 103 CG LYS A 9 -16.212 21.481 -12.851 1.00 0.00 C ATOM 104 CD LYS A 9 -14.843 21.433 -12.190 1.00 0.00 C ATOM 105 CE LYS A 9 -14.221 20.049 -12.298 1.00 0.00 C ATOM 106 NZ LYS A 9 -12.848 20.008 -11.733 1.00 0.00 N ATOM 0 HA LYS A 9 -18.866 22.377 -13.194 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -16.077 23.596 -13.130 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -17.021 23.115 -11.734 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -16.878 20.769 -12.364 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.125 21.175 -13.894 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.186 22.166 -12.658 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.935 21.711 -11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.849 19.328 -11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.191 19.746 -13.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.462 19.047 -11.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.241 20.677 -12.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.878 20.272 -10.727 1.00 0.00 H new ATOM 120 N CYS A 10 -18.327 25.234 -14.538 1.00 0.00 N ATOM 121 CA CYS A 10 -18.680 26.628 -14.584 1.00 0.00 C ATOM 122 C CYS A 10 -20.114 26.839 -15.032 1.00 0.00 C ATOM 123 O CYS A 10 -20.670 26.045 -15.798 1.00 0.00 O ATOM 124 CB CYS A 10 -17.717 27.374 -15.489 1.00 0.00 C ATOM 125 SG CYS A 10 -16.010 27.296 -14.923 1.00 0.00 S ATOM 0 H CYS A 10 -17.873 24.890 -15.384 1.00 0.00 H new ATOM 0 HA CYS A 10 -18.603 27.026 -13.572 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -17.779 26.960 -16.495 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -18.024 28.418 -15.555 1.00 0.00 H new ATOM 0 HG CYS A 10 -15.276 26.731 -15.835 1.00 0.00 H new ATOM 130 N THR A 11 -20.703 27.918 -14.550 1.00 0.00 N ATOM 131 CA THR A 11 -22.069 28.259 -14.870 1.00 0.00 C ATOM 132 C THR A 11 -22.145 28.950 -16.230 1.00 0.00 C ATOM 133 O THR A 11 -21.119 29.368 -16.788 1.00 0.00 O ATOM 134 CB THR A 11 -22.684 29.179 -13.773 1.00 0.00 C ATOM 135 OG1 THR A 11 -24.001 29.598 -14.142 1.00 0.00 O ATOM 136 CG2 THR A 11 -21.808 30.402 -13.527 1.00 0.00 C ATOM 0 H THR A 11 -20.244 28.581 -13.925 1.00 0.00 H new ATOM 0 HA THR A 11 -22.644 27.334 -14.910 1.00 0.00 H new ATOM 0 HB THR A 11 -22.740 28.598 -12.852 1.00 0.00 H new ATOM 0 HG1 THR A 11 -24.370 30.173 -13.440 1.00 0.00 H new ATOM 0 HG21 THR A 11 -22.262 31.026 -12.757 1.00 0.00 H new ATOM 0 HG22 THR A 11 -20.819 30.081 -13.198 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.715 30.975 -14.450 1.00 0.00 H new ATOM 144 N SER A 12 -23.356 29.066 -16.747 1.00 0.00 N ATOM 145 CA SER A 12 -23.615 29.706 -18.021 1.00 0.00 C ATOM 146 C SER A 12 -23.032 31.120 -18.041 1.00 0.00 C ATOM 147 O SER A 12 -22.474 31.557 -19.044 1.00 0.00 O ATOM 148 CB SER A 12 -25.118 29.766 -18.241 1.00 0.00 C ATOM 149 OG SER A 12 -25.716 28.503 -17.985 1.00 0.00 O ATOM 0 H SER A 12 -24.195 28.714 -16.287 1.00 0.00 H new ATOM 0 HA SER A 12 -23.142 29.130 -18.817 1.00 0.00 H new ATOM 0 HB2 SER A 12 -25.556 30.520 -17.587 1.00 0.00 H new ATOM 0 HB3 SER A 12 -25.328 30.072 -19.266 1.00 0.00 H new ATOM 0 HG SER A 12 -26.683 28.563 -18.131 1.00 0.00 H new ATOM 155 N ALA A 13 -23.152 31.812 -16.910 1.00 0.00 N ATOM 156 CA ALA A 13 -22.649 33.171 -16.765 1.00 0.00 C ATOM 157 C ALA A 13 -21.147 33.236 -17.028 1.00 0.00 C ATOM 158 O ALA A 13 -20.673 34.104 -17.753 1.00 0.00 O ATOM 159 CB ALA A 13 -22.966 33.694 -15.372 1.00 0.00 C ATOM 0 H ALA A 13 -23.601 31.445 -16.071 1.00 0.00 H new ATOM 0 HA ALA A 13 -23.144 33.800 -17.505 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -22.587 34.711 -15.270 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -24.045 33.692 -15.219 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -22.493 33.054 -14.627 1.00 0.00 H new ATOM 165 N CYS A 14 -20.410 32.303 -16.453 1.00 0.00 N ATOM 166 CA CYS A 14 -18.965 32.263 -16.614 1.00 0.00 C ATOM 167 C CYS A 14 -18.601 31.881 -18.043 1.00 0.00 C ATOM 168 O CYS A 14 -17.627 32.372 -18.604 1.00 0.00 O ATOM 169 CB CYS A 14 -18.356 31.264 -15.628 1.00 0.00 C ATOM 170 SG CYS A 14 -16.546 31.211 -15.623 1.00 0.00 S ATOM 0 H CYS A 14 -20.789 31.559 -15.867 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.562 33.254 -16.407 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -18.701 31.509 -14.624 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.734 30.269 -15.861 1.00 0.00 H new ATOM 0 HG CYS A 14 -16.088 32.089 -14.780 1.00 0.00 H new ATOM 175 N ARG A 15 -19.421 31.029 -18.636 1.00 0.00 N ATOM 176 CA ARG A 15 -19.185 30.546 -19.994 1.00 0.00 C ATOM 177 C ARG A 15 -19.729 31.513 -21.051 1.00 0.00 C ATOM 178 O ARG A 15 -19.873 31.147 -22.217 1.00 0.00 O ATOM 179 CB ARG A 15 -19.815 29.166 -20.180 1.00 0.00 C ATOM 180 CG ARG A 15 -19.247 28.097 -19.260 1.00 0.00 C ATOM 181 CD ARG A 15 -19.859 26.739 -19.554 1.00 0.00 C ATOM 182 NE ARG A 15 -19.554 26.288 -20.912 1.00 0.00 N ATOM 183 CZ ARG A 15 -20.285 25.401 -21.595 1.00 0.00 C ATOM 184 NH1 ARG A 15 -21.393 24.895 -21.064 1.00 0.00 N ATOM 185 NH2 ARG A 15 -19.910 25.030 -22.815 1.00 0.00 N ATOM 0 H ARG A 15 -20.262 30.653 -18.198 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.106 30.478 -20.131 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -20.889 29.243 -20.011 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -19.677 28.851 -21.214 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -18.165 28.046 -19.382 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.438 28.368 -18.222 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -19.485 26.009 -18.836 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -20.940 26.791 -19.422 1.00 0.00 H new ATOM 0 HE ARG A 15 -18.728 26.676 -21.368 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -21.689 25.183 -20.131 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -21.947 24.219 -21.589 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -19.065 25.422 -23.230 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -20.468 24.353 -23.336 1.00 0.00 H new ATOM 199 N SER A 16 -20.038 32.730 -20.643 1.00 0.00 N ATOM 200 CA SER A 16 -20.529 33.739 -21.567 1.00 0.00 C ATOM 201 C SER A 16 -19.413 34.707 -21.949 1.00 0.00 C ATOM 202 O SER A 16 -18.371 34.752 -21.293 1.00 0.00 O ATOM 203 CB SER A 16 -21.691 34.508 -20.940 1.00 0.00 C ATOM 204 OG SER A 16 -22.790 33.650 -20.678 1.00 0.00 O ATOM 0 H SER A 16 -19.958 33.045 -19.676 1.00 0.00 H new ATOM 0 HA SER A 16 -20.879 33.236 -22.469 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.362 34.977 -20.012 1.00 0.00 H new ATOM 0 HB3 SER A 16 -22.003 35.310 -21.609 1.00 0.00 H new ATOM 0 HG SER A 16 -22.577 33.069 -19.918 1.00 0.00 H new ATOM 210 N GLU A 17 -19.630 35.470 -23.013 1.00 0.00 N ATOM 211 CA GLU A 17 -18.671 36.475 -23.452 1.00 0.00 C ATOM 212 C GLU A 17 -19.332 37.853 -23.467 1.00 0.00 C ATOM 213 O GLU A 17 -20.209 38.110 -24.293 1.00 0.00 O ATOM 214 CB GLU A 17 -18.119 36.161 -24.854 1.00 0.00 C ATOM 215 CG GLU A 17 -17.121 35.010 -24.922 1.00 0.00 C ATOM 216 CD GLU A 17 -17.756 33.642 -24.788 1.00 0.00 C ATOM 217 OE1 GLU A 17 -18.670 33.326 -25.582 1.00 0.00 O ATOM 218 OE2 GLU A 17 -17.321 32.863 -23.918 1.00 0.00 O ATOM 0 H GLU A 17 -20.468 35.411 -23.591 1.00 0.00 H new ATOM 0 HA GLU A 17 -17.839 36.466 -22.748 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.957 35.932 -25.513 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.640 37.058 -25.247 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.586 35.061 -25.870 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.381 35.136 -24.132 1.00 0.00 H new ATOM 225 N PRO A 18 -18.936 38.761 -22.558 1.00 0.00 N ATOM 226 CA PRO A 18 -17.897 38.508 -21.553 1.00 0.00 C ATOM 227 C PRO A 18 -18.427 37.683 -20.390 1.00 0.00 C ATOM 228 O PRO A 18 -19.635 37.433 -20.293 1.00 0.00 O ATOM 229 CB PRO A 18 -17.545 39.914 -21.074 1.00 0.00 C ATOM 230 CG PRO A 18 -18.816 40.674 -21.214 1.00 0.00 C ATOM 231 CD PRO A 18 -19.497 40.118 -22.434 1.00 0.00 C ATOM 0 HA PRO A 18 -17.054 37.945 -21.955 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -17.196 39.908 -20.041 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.750 40.353 -21.676 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -19.442 40.555 -20.329 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -18.623 41.741 -21.327 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -20.580 40.094 -22.312 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -19.289 40.720 -23.318 1.00 0.00 H new ATOM 239 N CYS A 19 -17.536 37.264 -19.512 1.00 0.00 N ATOM 240 CA CYS A 19 -17.928 36.476 -18.368 1.00 0.00 C ATOM 241 C CYS A 19 -18.867 37.266 -17.472 1.00 0.00 C ATOM 242 O CYS A 19 -18.636 38.444 -17.187 1.00 0.00 O ATOM 243 CB CYS A 19 -16.715 36.014 -17.581 1.00 0.00 C ATOM 244 SG CYS A 19 -17.127 35.059 -16.108 1.00 0.00 S ATOM 0 H CYS A 19 -16.536 37.458 -19.572 1.00 0.00 H new ATOM 0 HA CYS A 19 -18.453 35.593 -18.734 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.081 35.409 -18.230 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.131 36.886 -17.286 1.00 0.00 H new ATOM 0 HG CYS A 19 -16.062 34.904 -15.379 1.00 0.00 H new ATOM 249 N GLN A 20 -19.924 36.617 -17.050 1.00 0.00 N ATOM 250 CA GLN A 20 -20.939 37.235 -16.222 1.00 0.00 C ATOM 251 C GLN A 20 -20.936 36.604 -14.843 1.00 0.00 C ATOM 252 O GLN A 20 -21.935 36.638 -14.128 1.00 0.00 O ATOM 253 CB GLN A 20 -22.303 37.036 -16.870 1.00 0.00 C ATOM 254 CG GLN A 20 -22.351 37.446 -18.326 1.00 0.00 C ATOM 255 CD GLN A 20 -22.311 38.946 -18.518 1.00 0.00 C ATOM 256 OE1 GLN A 20 -21.122 39.496 -18.630 1.00 0.00 O flip ATOM 257 NE2 GLN A 20 -23.350 39.603 -18.568 1.00 0.00 N flip ATOM 0 H GLN A 20 -20.109 35.638 -17.271 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.728 38.300 -16.126 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.585 35.986 -16.788 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -23.046 37.610 -16.316 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.510 36.995 -18.853 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -23.260 37.051 -18.779 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -24.253 39.137 -18.477 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -23.309 40.613 -18.701 1.00 0.00 H new ATOM 266 N CYS A 21 -19.808 36.032 -14.471 1.00 0.00 N ATOM 267 CA CYS A 21 -19.684 35.375 -13.189 1.00 0.00 C ATOM 268 C CYS A 21 -19.603 36.439 -12.090 1.00 0.00 C ATOM 269 O CYS A 21 -19.972 36.197 -10.930 1.00 0.00 O ATOM 270 CB CYS A 21 -18.441 34.488 -13.189 1.00 0.00 C ATOM 271 SG CYS A 21 -18.588 32.951 -12.251 1.00 0.00 S ATOM 0 H CYS A 21 -18.963 36.010 -15.042 1.00 0.00 H new ATOM 0 HA CYS A 21 -20.552 34.743 -13.001 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -18.191 34.242 -14.221 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.606 35.061 -12.787 1.00 0.00 H new ATOM 0 HG CYS A 21 -17.519 32.232 -12.425 1.00 0.00 H new ATOM 276 N GLY A 22 -19.129 37.627 -12.482 1.00 0.00 N ATOM 277 CA GLY A 22 -19.048 38.754 -11.585 1.00 0.00 C ATOM 278 C GLY A 22 -18.187 38.493 -10.381 1.00 0.00 C ATOM 279 O GLY A 22 -17.174 37.791 -10.462 1.00 0.00 O ATOM 0 H GLY A 22 -18.796 37.820 -13.427 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -18.653 39.613 -12.127 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -20.052 39.020 -11.255 1.00 0.00 H new ATOM 283 N SER A 23 -18.580 39.061 -9.264 1.00 0.00 N ATOM 284 CA SER A 23 -17.866 38.878 -8.029 1.00 0.00 C ATOM 285 C SER A 23 -18.492 37.746 -7.223 1.00 0.00 C ATOM 286 O SER A 23 -17.933 37.297 -6.227 1.00 0.00 O ATOM 287 CB SER A 23 -17.868 40.175 -7.229 1.00 0.00 C ATOM 288 OG SER A 23 -17.378 41.251 -8.020 1.00 0.00 O ATOM 0 H SER A 23 -19.402 39.661 -9.190 1.00 0.00 H new ATOM 0 HA SER A 23 -16.833 38.610 -8.251 1.00 0.00 H new ATOM 0 HB2 SER A 23 -18.879 40.397 -6.889 1.00 0.00 H new ATOM 0 HB3 SER A 23 -17.250 40.060 -6.338 1.00 0.00 H new ATOM 0 HG SER A 23 -17.388 42.076 -7.492 1.00 0.00 H new ATOM 294 N LYS A 24 -19.661 37.284 -7.672 1.00 0.00 N ATOM 295 CA LYS A 24 -20.347 36.181 -7.015 1.00 0.00 C ATOM 296 C LYS A 24 -19.615 34.893 -7.310 1.00 0.00 C ATOM 297 O LYS A 24 -19.439 34.053 -6.428 1.00 0.00 O ATOM 298 CB LYS A 24 -21.806 36.089 -7.482 1.00 0.00 C ATOM 299 CG LYS A 24 -22.669 37.290 -7.093 1.00 0.00 C ATOM 300 CD LYS A 24 -23.290 37.150 -5.694 1.00 0.00 C ATOM 301 CE LYS A 24 -22.243 37.047 -4.593 1.00 0.00 C ATOM 302 NZ LYS A 24 -22.845 37.166 -3.243 1.00 0.00 N ATOM 0 H LYS A 24 -20.148 37.659 -8.486 1.00 0.00 H new ATOM 0 HA LYS A 24 -20.353 36.356 -5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -21.822 35.981 -8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -22.252 35.186 -7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -22.061 38.194 -7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -23.465 37.413 -7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -23.933 38.008 -5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -23.925 36.264 -5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -21.723 36.093 -4.675 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -21.497 37.830 -4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -22.099 37.091 -2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -23.320 38.087 -3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -23.539 36.404 -3.104 1.00 0.00 H new ATOM 316 N CYS A 25 -19.199 34.756 -8.568 1.00 0.00 N ATOM 317 CA CYS A 25 -18.388 33.638 -9.022 1.00 0.00 C ATOM 318 C CYS A 25 -19.031 32.286 -8.674 1.00 0.00 C ATOM 319 O CYS A 25 -18.650 31.630 -7.700 1.00 0.00 O ATOM 320 CB CYS A 25 -16.986 33.752 -8.422 1.00 0.00 C ATOM 321 SG CYS A 25 -15.693 32.992 -9.407 1.00 0.00 S ATOM 0 H CYS A 25 -19.420 35.427 -9.304 1.00 0.00 H new ATOM 0 HA CYS A 25 -18.319 33.680 -10.109 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -16.748 34.807 -8.284 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -16.989 33.294 -7.433 1.00 0.00 H new ATOM 0 HG CYS A 25 -16.200 32.032 -10.122 1.00 0.00 H new ATOM 326 N GLN A 26 -20.009 31.880 -9.471 1.00 0.00 N ATOM 327 CA GLN A 26 -20.732 30.632 -9.225 1.00 0.00 C ATOM 328 C GLN A 26 -20.223 29.500 -10.111 1.00 0.00 C ATOM 329 O GLN A 26 -20.891 28.477 -10.268 1.00 0.00 O ATOM 330 CB GLN A 26 -22.231 30.820 -9.457 1.00 0.00 C ATOM 331 CG GLN A 26 -22.884 31.839 -8.542 1.00 0.00 C ATOM 332 CD GLN A 26 -24.390 31.868 -8.707 1.00 0.00 C ATOM 333 OE1 GLN A 26 -24.922 32.599 -9.540 1.00 0.00 O ATOM 334 NE2 GLN A 26 -25.084 31.076 -7.914 1.00 0.00 N ATOM 0 H GLN A 26 -20.323 32.394 -10.294 1.00 0.00 H new ATOM 0 HA GLN A 26 -20.555 30.362 -8.184 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -22.391 31.124 -10.492 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.730 29.860 -9.326 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.637 31.607 -7.506 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -22.477 32.828 -8.752 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -24.603 30.485 -7.236 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -26.102 31.054 -7.978 1.00 0.00 H new ATOM 343 N CYS A 27 -19.052 29.675 -10.684 1.00 0.00 N ATOM 344 CA CYS A 27 -18.483 28.657 -11.547 1.00 0.00 C ATOM 345 C CYS A 27 -17.677 27.647 -10.725 1.00 0.00 C ATOM 346 O CYS A 27 -17.821 27.573 -9.497 1.00 0.00 O ATOM 347 CB CYS A 27 -17.603 29.302 -12.605 1.00 0.00 C ATOM 348 SG CYS A 27 -16.115 30.053 -11.957 1.00 0.00 S ATOM 0 H CYS A 27 -18.475 30.509 -10.570 1.00 0.00 H new ATOM 0 HA CYS A 27 -19.295 28.126 -12.043 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -17.326 28.547 -13.341 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -18.182 30.062 -13.130 1.00 0.00 H new ATOM 0 HG CYS A 27 -15.143 29.891 -12.804 1.00 0.00 H new ATOM 353 N GLY A 28 -16.839 26.873 -11.392 1.00 0.00 N ATOM 354 CA GLY A 28 -16.048 25.885 -10.703 1.00 0.00 C ATOM 355 C GLY A 28 -14.575 26.219 -10.707 1.00 0.00 C ATOM 356 O GLY A 28 -14.086 26.905 -11.606 1.00 0.00 O ATOM 0 H GLY A 28 -16.694 26.913 -12.401 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.395 25.800 -9.673 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.198 24.912 -11.172 1.00 0.00 H new ATOM 360 N GLU A 29 -13.872 25.739 -9.703 1.00 0.00 N ATOM 361 CA GLU A 29 -12.443 25.961 -9.589 1.00 0.00 C ATOM 362 C GLU A 29 -11.697 25.140 -10.627 1.00 0.00 C ATOM 363 O GLU A 29 -11.793 23.909 -10.648 1.00 0.00 O ATOM 364 CB GLU A 29 -11.962 25.595 -8.185 1.00 0.00 C ATOM 365 CG GLU A 29 -12.465 26.530 -7.099 1.00 0.00 C ATOM 366 CD GLU A 29 -11.693 27.833 -7.037 1.00 0.00 C ATOM 367 OE1 GLU A 29 -11.517 28.488 -8.088 1.00 0.00 O ATOM 368 OE2 GLU A 29 -11.266 28.217 -5.923 1.00 0.00 O ATOM 0 H GLU A 29 -14.271 25.186 -8.945 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.240 27.017 -9.766 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.284 24.580 -7.954 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.872 25.594 -8.174 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.519 26.746 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.397 26.027 -6.134 1.00 0.00 H new ATOM 375 N GLY A 30 -10.965 25.817 -11.483 1.00 0.00 N ATOM 376 CA GLY A 30 -10.220 25.136 -12.511 1.00 0.00 C ATOM 377 C GLY A 30 -10.342 25.808 -13.858 1.00 0.00 C ATOM 378 O GLY A 30 -9.714 25.382 -14.827 1.00 0.00 O ATOM 0 H GLY A 30 -10.871 26.833 -11.486 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.169 25.092 -12.225 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.572 24.107 -12.589 1.00 0.00 H new ATOM 382 N CYS A 31 -11.147 26.859 -13.932 1.00 0.00 N ATOM 383 CA CYS A 31 -11.332 27.569 -15.188 1.00 0.00 C ATOM 384 C CYS A 31 -10.301 28.677 -15.336 1.00 0.00 C ATOM 385 O CYS A 31 -9.876 28.993 -16.448 1.00 0.00 O ATOM 386 CB CYS A 31 -12.737 28.172 -15.271 1.00 0.00 C ATOM 387 SG CYS A 31 -12.939 29.722 -14.347 1.00 0.00 S ATOM 0 H CYS A 31 -11.677 27.235 -13.146 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.204 26.849 -15.996 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.981 28.352 -16.318 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.456 27.443 -14.897 1.00 0.00 H new ATOM 0 HG CYS A 31 -14.092 30.250 -14.632 1.00 0.00 H new ATOM 392 N THR A 32 -9.898 29.260 -14.196 1.00 0.00 N ATOM 393 CA THR A 32 -8.967 30.393 -14.158 1.00 0.00 C ATOM 394 C THR A 32 -9.417 31.517 -15.103 1.00 0.00 C ATOM 395 O THR A 32 -8.600 32.165 -15.758 1.00 0.00 O ATOM 396 CB THR A 32 -7.493 29.974 -14.452 1.00 0.00 C ATOM 397 OG1 THR A 32 -7.390 29.270 -15.698 1.00 0.00 O ATOM 398 CG2 THR A 32 -6.958 29.092 -13.333 1.00 0.00 C ATOM 0 H THR A 32 -10.211 28.956 -13.274 1.00 0.00 H new ATOM 0 HA THR A 32 -8.988 30.773 -13.137 1.00 0.00 H new ATOM 0 HB THR A 32 -6.900 30.886 -14.515 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.182 29.456 -16.245 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.929 28.809 -13.554 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.990 29.640 -12.391 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.572 28.195 -13.252 1.00 0.00 H new ATOM 406 N CYS A 33 -10.737 31.737 -15.147 1.00 0.00 N ATOM 407 CA CYS A 33 -11.341 32.760 -15.989 1.00 0.00 C ATOM 408 C CYS A 33 -10.795 34.139 -15.611 1.00 0.00 C ATOM 409 O CYS A 33 -10.715 34.479 -14.441 1.00 0.00 O ATOM 410 CB CYS A 33 -12.866 32.717 -15.828 1.00 0.00 C ATOM 411 SG CYS A 33 -13.799 33.504 -17.161 1.00 0.00 S ATOM 0 H CYS A 33 -11.412 31.206 -14.596 1.00 0.00 H new ATOM 0 HA CYS A 33 -11.091 32.569 -17.033 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -13.179 31.676 -15.752 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -13.130 33.199 -14.887 1.00 0.00 H new ATOM 0 HG CYS A 33 -14.916 33.974 -16.690 1.00 0.00 H new ATOM 416 N ALA A 34 -10.466 34.937 -16.606 1.00 0.00 N ATOM 417 CA ALA A 34 -9.815 36.229 -16.389 1.00 0.00 C ATOM 418 C ALA A 34 -10.812 37.323 -16.029 1.00 0.00 C ATOM 419 O ALA A 34 -10.541 38.510 -16.206 1.00 0.00 O ATOM 420 CB ALA A 34 -9.024 36.621 -17.624 1.00 0.00 C ATOM 0 H ALA A 34 -10.638 34.717 -17.587 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.139 36.120 -15.541 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.541 37.584 -17.457 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.265 35.865 -17.825 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.697 36.696 -18.478 1.00 0.00 H new ATOM 426 N ALA A 35 -11.946 36.929 -15.506 1.00 0.00 N ATOM 427 CA ALA A 35 -12.963 37.877 -15.120 1.00 0.00 C ATOM 428 C ALA A 35 -13.350 37.664 -13.680 1.00 0.00 C ATOM 429 O ALA A 35 -13.363 38.603 -12.876 1.00 0.00 O ATOM 430 CB ALA A 35 -14.174 37.760 -16.025 1.00 0.00 C ATOM 0 H ALA A 35 -12.190 35.953 -15.337 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.560 38.884 -15.225 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.929 38.483 -15.717 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.879 37.959 -17.055 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -14.585 36.753 -15.954 1.00 0.00 H new ATOM 436 N CYS A 36 -13.655 36.433 -13.350 1.00 0.00 N ATOM 437 CA CYS A 36 -14.023 36.090 -12.000 1.00 0.00 C ATOM 438 C CYS A 36 -12.809 35.594 -11.222 1.00 0.00 C ATOM 439 O CYS A 36 -12.586 35.984 -10.074 1.00 0.00 O ATOM 440 CB CYS A 36 -15.106 35.045 -12.014 1.00 0.00 C ATOM 441 SG CYS A 36 -14.816 33.723 -13.191 1.00 0.00 S ATOM 0 H CYS A 36 -13.655 35.649 -14.002 1.00 0.00 H new ATOM 0 HA CYS A 36 -14.402 36.982 -11.502 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -15.199 34.617 -11.016 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -16.058 35.524 -12.245 1.00 0.00 H new ATOM 0 HG CYS A 36 -14.941 32.575 -12.594 1.00 0.00 H new ATOM 446 N LYS A 37 -12.008 34.755 -11.873 1.00 0.00 N ATOM 447 CA LYS A 37 -10.801 34.198 -11.270 1.00 0.00 C ATOM 448 C LYS A 37 -9.645 35.169 -11.404 1.00 0.00 C ATOM 449 O LYS A 37 -8.647 34.888 -12.068 1.00 0.00 O ATOM 450 CB LYS A 37 -10.430 32.857 -11.914 1.00 0.00 C ATOM 451 CG LYS A 37 -10.920 31.629 -11.170 1.00 0.00 C ATOM 452 CD LYS A 37 -12.422 31.623 -10.988 1.00 0.00 C ATOM 453 CE LYS A 37 -12.871 30.348 -10.306 1.00 0.00 C ATOM 454 NZ LYS A 37 -14.258 30.436 -9.823 1.00 0.00 N ATOM 0 H LYS A 37 -12.176 34.443 -12.829 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.005 34.029 -10.213 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.833 32.834 -12.927 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.345 32.801 -12.001 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.620 30.734 -11.715 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.439 31.584 -10.193 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.725 32.485 -10.395 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.912 31.715 -11.957 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.783 29.515 -11.003 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.209 30.134 -9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.375 29.824 -8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.473 31.420 -9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.907 30.126 -10.574 1.00 0.00 H new ATOM 468 N THR A 38 -9.788 36.308 -10.790 1.00 0.00 N ATOM 469 CA THR A 38 -8.777 37.319 -10.842 1.00 0.00 C ATOM 470 C THR A 38 -8.150 37.488 -9.458 1.00 0.00 C ATOM 471 O THR A 38 -8.587 36.861 -8.492 1.00 0.00 O ATOM 472 CB THR A 38 -9.371 38.667 -11.349 1.00 0.00 C ATOM 473 OG1 THR A 38 -8.321 39.600 -11.665 1.00 0.00 O ATOM 474 CG2 THR A 38 -10.310 39.279 -10.310 1.00 0.00 C ATOM 0 H THR A 38 -10.609 36.560 -10.240 1.00 0.00 H new ATOM 0 HA THR A 38 -8.003 37.012 -11.545 1.00 0.00 H new ATOM 0 HB THR A 38 -9.942 38.456 -12.253 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.714 40.439 -11.983 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.710 40.219 -10.690 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.130 38.590 -10.110 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.760 39.465 -9.388 1.00 0.00 H new ATOM 482 N CYS A 39 -7.144 38.320 -9.370 1.00 0.00 N ATOM 483 CA CYS A 39 -6.459 38.564 -8.126 1.00 0.00 C ATOM 484 C CYS A 39 -6.269 40.047 -7.958 1.00 0.00 C ATOM 485 O CYS A 39 -5.887 40.747 -8.905 1.00 0.00 O ATOM 486 CB CYS A 39 -5.116 37.839 -8.092 1.00 0.00 C ATOM 487 SG CYS A 39 -4.153 38.117 -6.588 1.00 0.00 S ATOM 0 H CYS A 39 -6.776 38.849 -10.161 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.059 38.178 -7.302 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.292 36.769 -8.203 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.524 38.156 -8.951 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.722 37.508 -5.590 1.00 0.00 H new ATOM 492 N ASN A 40 -6.531 40.532 -6.775 1.00 0.00 N ATOM 493 CA ASN A 40 -6.486 41.956 -6.520 1.00 0.00 C ATOM 494 C ASN A 40 -5.200 42.355 -5.829 1.00 0.00 C ATOM 495 O ASN A 40 -5.032 43.500 -5.418 1.00 0.00 O ATOM 496 CB ASN A 40 -7.709 42.361 -5.705 1.00 0.00 C ATOM 497 CG ASN A 40 -8.998 42.058 -6.454 1.00 0.00 C ATOM 498 OD1 ASN A 40 -9.089 42.251 -7.670 1.00 0.00 O ATOM 499 ND2 ASN A 40 -9.984 41.553 -5.753 1.00 0.00 N ATOM 0 H ASN A 40 -6.780 39.963 -5.965 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.505 42.487 -7.472 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.706 41.830 -4.753 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.660 43.426 -5.477 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.861 41.306 -6.211 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.874 41.407 -4.750 1.00 0.00 H new ATOM 506 N CYS A 41 -4.286 41.412 -5.716 1.00 0.00 N ATOM 507 CA CYS A 41 -3.006 41.670 -5.103 1.00 0.00 C ATOM 508 C CYS A 41 -2.054 42.293 -6.099 1.00 0.00 C ATOM 509 O CYS A 41 -1.955 41.846 -7.242 1.00 0.00 O ATOM 510 CB CYS A 41 -2.418 40.387 -4.553 1.00 0.00 C ATOM 511 SG CYS A 41 -3.486 39.559 -3.374 1.00 0.00 S ATOM 0 H CYS A 41 -4.411 40.455 -6.045 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.155 42.370 -4.281 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.208 39.709 -5.380 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.465 40.610 -4.074 1.00 0.00 H new ATOM 0 HG CYS A 41 -3.176 38.298 -3.319 1.00 0.00 H new ATOM 516 N THR A 42 -1.363 43.318 -5.671 1.00 0.00 N ATOM 517 CA THR A 42 -0.432 44.008 -6.522 1.00 0.00 C ATOM 518 C THR A 42 0.988 43.584 -6.196 1.00 0.00 C ATOM 519 O THR A 42 1.229 42.933 -5.176 1.00 0.00 O ATOM 520 CB THR A 42 -0.565 45.532 -6.349 1.00 0.00 C ATOM 521 OG1 THR A 42 -0.389 45.879 -4.966 1.00 0.00 O ATOM 522 CG2 THR A 42 -1.932 46.002 -6.816 1.00 0.00 C ATOM 0 H THR A 42 -1.430 43.696 -4.726 1.00 0.00 H new ATOM 0 HA THR A 42 -0.659 43.749 -7.556 1.00 0.00 H new ATOM 0 HB THR A 42 0.202 46.019 -6.951 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.473 46.850 -4.859 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.009 47.082 -6.687 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.062 45.752 -7.869 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.706 45.510 -6.228 1.00 0.00 H new ATOM 530 N SER A 43 1.924 43.945 -7.054 1.00 0.00 N ATOM 531 CA SER A 43 3.321 43.633 -6.828 1.00 0.00 C ATOM 532 C SER A 43 3.866 44.457 -5.663 1.00 0.00 C ATOM 533 O SER A 43 4.882 44.103 -5.052 1.00 0.00 O ATOM 534 CB SER A 43 4.128 43.915 -8.090 1.00 0.00 C ATOM 535 OG SER A 43 3.597 43.208 -9.205 1.00 0.00 O ATOM 0 H SER A 43 1.740 44.457 -7.917 1.00 0.00 H new ATOM 0 HA SER A 43 3.409 42.575 -6.579 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.123 44.985 -8.298 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.167 43.626 -7.933 1.00 0.00 H new ATOM 0 HG SER A 43 4.131 43.407 -10.003 1.00 0.00 H new ATOM 541 N ASP A 44 3.176 45.551 -5.359 1.00 0.00 N ATOM 542 CA ASP A 44 3.570 46.441 -4.275 1.00 0.00 C ATOM 543 C ASP A 44 3.245 45.822 -2.932 1.00 0.00 C ATOM 544 O ASP A 44 4.012 45.947 -1.969 1.00 0.00 O ATOM 545 CB ASP A 44 2.859 47.792 -4.392 1.00 0.00 C ATOM 546 CG ASP A 44 3.205 48.547 -5.655 1.00 0.00 C ATOM 547 OD1 ASP A 44 4.356 49.021 -5.773 1.00 0.00 O ATOM 548 OD2 ASP A 44 2.321 48.690 -6.532 1.00 0.00 O ATOM 0 H ASP A 44 2.333 45.844 -5.854 1.00 0.00 H new ATOM 0 HA ASP A 44 4.646 46.597 -4.350 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.782 47.631 -4.358 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.117 48.406 -3.529 1.00 0.00 H new ATOM 553 N GLY A 45 2.112 45.150 -2.867 1.00 0.00 N ATOM 554 CA GLY A 45 1.698 44.546 -1.641 1.00 0.00 C ATOM 555 C GLY A 45 0.607 43.537 -1.844 1.00 0.00 C ATOM 556 O GLY A 45 -0.351 43.778 -2.585 1.00 0.00 O ATOM 0 H GLY A 45 1.473 45.016 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.554 44.063 -1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.351 45.320 -0.956 1.00 0.00 H new ATOM 560 N CYS A 46 0.750 42.407 -1.197 1.00 0.00 N ATOM 561 CA CYS A 46 -0.229 41.355 -1.281 1.00 0.00 C ATOM 562 C CYS A 46 -1.471 41.753 -0.485 1.00 0.00 C ATOM 563 O CYS A 46 -1.369 42.163 0.671 1.00 0.00 O ATOM 564 CB CYS A 46 0.366 40.056 -0.745 1.00 0.00 C ATOM 565 SG CYS A 46 -0.507 38.572 -1.267 1.00 0.00 S ATOM 0 H CYS A 46 1.547 42.192 -0.599 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.516 41.199 -2.321 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.405 39.985 -1.068 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.373 40.095 0.344 1.00 0.00 H new ATOM 0 HG CYS A 46 -1.522 38.904 -2.008 1.00 0.00 H new ATOM 570 N LYS A 47 -2.632 41.645 -1.101 1.00 0.00 N ATOM 571 CA LYS A 47 -3.865 42.070 -0.456 1.00 0.00 C ATOM 572 C LYS A 47 -4.471 40.970 0.397 1.00 0.00 C ATOM 573 O LYS A 47 -5.207 41.247 1.338 1.00 0.00 O ATOM 574 CB LYS A 47 -4.876 42.565 -1.490 1.00 0.00 C ATOM 575 CG LYS A 47 -4.392 43.760 -2.299 1.00 0.00 C ATOM 576 CD LYS A 47 -4.088 44.957 -1.416 1.00 0.00 C ATOM 577 CE LYS A 47 -3.584 46.131 -2.237 1.00 0.00 C ATOM 578 NZ LYS A 47 -3.218 47.290 -1.386 1.00 0.00 N ATOM 0 H LYS A 47 -2.750 41.269 -2.042 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.611 42.896 0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.114 41.749 -2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.801 42.834 -0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.497 43.483 -2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.151 44.033 -3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.987 45.249 -0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.340 44.683 -0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.716 45.820 -2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.353 46.432 -2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.879 48.069 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.052 47.604 -0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.466 47.011 -0.724 1.00 0.00 H new ATOM 592 N CYS A 48 -4.181 39.731 0.074 1.00 0.00 N ATOM 593 CA CYS A 48 -4.709 38.631 0.852 1.00 0.00 C ATOM 594 C CYS A 48 -3.670 38.149 1.864 1.00 0.00 C ATOM 595 O CYS A 48 -4.007 37.770 2.983 1.00 0.00 O ATOM 596 CB CYS A 48 -5.124 37.490 -0.058 1.00 0.00 C ATOM 597 SG CYS A 48 -3.740 36.638 -0.807 1.00 0.00 S ATOM 0 H CYS A 48 -3.590 39.460 -0.712 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.588 38.981 1.394 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.714 36.775 0.515 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.770 37.879 -0.845 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.776 37.483 -1.023 1.00 0.00 H new ATOM 602 N GLY A 49 -2.406 38.168 1.461 1.00 0.00 N ATOM 603 CA GLY A 49 -1.346 37.758 2.349 1.00 0.00 C ATOM 604 C GLY A 49 -0.745 36.416 1.974 1.00 0.00 C ATOM 605 O GLY A 49 0.102 35.890 2.697 1.00 0.00 O ATOM 0 H GLY A 49 -2.100 38.461 0.533 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.562 38.515 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.732 37.705 3.367 1.00 0.00 H new ATOM 609 N LYS A 50 -1.179 35.856 0.847 1.00 0.00 N ATOM 610 CA LYS A 50 -0.649 34.572 0.376 1.00 0.00 C ATOM 611 C LYS A 50 0.645 34.781 -0.405 1.00 0.00 C ATOM 612 O LYS A 50 1.276 33.819 -0.864 1.00 0.00 O ATOM 613 CB LYS A 50 -1.679 33.840 -0.492 1.00 0.00 C ATOM 614 CG LYS A 50 -3.002 33.565 0.213 1.00 0.00 C ATOM 615 CD LYS A 50 -2.813 32.701 1.445 1.00 0.00 C ATOM 616 CE LYS A 50 -4.129 32.469 2.162 1.00 0.00 C ATOM 617 NZ LYS A 50 -3.966 31.606 3.357 1.00 0.00 N ATOM 0 H LYS A 50 -1.892 36.266 0.244 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.435 33.955 1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.872 34.433 -1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.252 32.893 -0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.465 34.509 0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.686 33.070 -0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.379 31.743 1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.106 33.180 2.123 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.552 33.428 2.462 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.839 32.008 1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.889 31.473 3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.586 30.682 3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.308 32.058 4.024 1.00 0.00 H new ATOM 631 N GLU A 51 1.024 36.051 -0.555 1.00 0.00 N ATOM 632 CA GLU A 51 2.259 36.451 -1.236 1.00 0.00 C ATOM 633 C GLU A 51 2.209 36.134 -2.731 1.00 0.00 C ATOM 634 O GLU A 51 3.243 36.001 -3.389 1.00 0.00 O ATOM 635 CB GLU A 51 3.485 35.817 -0.564 1.00 0.00 C ATOM 636 CG GLU A 51 3.638 36.215 0.900 1.00 0.00 C ATOM 637 CD GLU A 51 4.868 35.623 1.551 1.00 0.00 C ATOM 638 OE1 GLU A 51 4.810 34.458 1.996 1.00 0.00 O ATOM 639 OE2 GLU A 51 5.898 36.322 1.633 1.00 0.00 O ATOM 0 H GLU A 51 0.479 36.839 -0.205 1.00 0.00 H new ATOM 0 HA GLU A 51 2.352 37.533 -1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.409 34.732 -0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.382 36.109 -1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.684 37.302 0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.753 35.896 1.451 1.00 0.00 H new ATOM 646 N CYS A 52 0.998 36.040 -3.264 1.00 0.00 N ATOM 647 CA CYS A 52 0.799 35.796 -4.681 1.00 0.00 C ATOM 648 C CYS A 52 1.122 37.058 -5.477 1.00 0.00 C ATOM 649 O CYS A 52 1.826 37.004 -6.491 1.00 0.00 O ATOM 650 CB CYS A 52 -0.636 35.347 -4.932 1.00 0.00 C ATOM 651 SG CYS A 52 -1.862 36.235 -3.949 1.00 0.00 S ATOM 0 H CYS A 52 0.134 36.130 -2.729 1.00 0.00 H new ATOM 0 HA CYS A 52 1.470 35.003 -5.010 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.868 35.478 -5.989 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.716 34.281 -4.718 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.675 36.871 -4.740 1.00 0.00 H new ATOM 656 N THR A 53 0.608 38.193 -4.987 1.00 0.00 N ATOM 657 CA THR A 53 0.860 39.528 -5.560 1.00 0.00 C ATOM 658 C THR A 53 0.564 39.611 -7.060 1.00 0.00 C ATOM 659 O THR A 53 1.215 40.362 -7.789 1.00 0.00 O ATOM 660 CB THR A 53 2.309 40.021 -5.273 1.00 0.00 C ATOM 661 OG1 THR A 53 3.278 39.070 -5.736 1.00 0.00 O ATOM 662 CG2 THR A 53 2.504 40.251 -3.787 1.00 0.00 C ATOM 0 H THR A 53 -0.003 38.214 -4.171 1.00 0.00 H new ATOM 0 HA THR A 53 0.157 40.191 -5.055 1.00 0.00 H new ATOM 0 HB THR A 53 2.452 40.959 -5.809 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.851 38.443 -6.356 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.522 40.595 -3.603 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.797 41.005 -3.440 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.333 39.318 -3.249 1.00 0.00 H new ATOM 670 N GLY A 54 -0.432 38.871 -7.510 1.00 0.00 N ATOM 671 CA GLY A 54 -0.786 38.902 -8.906 1.00 0.00 C ATOM 672 C GLY A 54 -1.511 37.651 -9.334 1.00 0.00 C ATOM 673 O GLY A 54 -1.195 36.568 -8.860 1.00 0.00 O ATOM 0 H GLY A 54 -1.000 38.251 -6.934 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.416 39.770 -9.101 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.116 39.021 -9.506 1.00 0.00 H new ATOM 677 N PRO A 55 -2.491 37.768 -10.248 1.00 0.00 N ATOM 678 CA PRO A 55 -3.281 36.619 -10.716 1.00 0.00 C ATOM 679 C PRO A 55 -2.429 35.584 -11.436 1.00 0.00 C ATOM 680 O PRO A 55 -2.646 34.381 -11.299 1.00 0.00 O ATOM 681 CB PRO A 55 -4.297 37.240 -11.679 1.00 0.00 C ATOM 682 CG PRO A 55 -3.716 38.559 -12.066 1.00 0.00 C ATOM 683 CD PRO A 55 -2.908 39.025 -10.891 1.00 0.00 C ATOM 0 HA PRO A 55 -3.740 36.082 -9.886 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.450 36.606 -12.552 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.269 37.363 -11.200 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.091 38.463 -12.954 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.502 39.275 -12.305 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.050 39.621 -11.203 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.499 39.645 -10.217 1.00 0.00 H new ATOM 691 N ASP A 56 -1.447 36.060 -12.181 1.00 0.00 N ATOM 692 CA ASP A 56 -0.548 35.192 -12.933 1.00 0.00 C ATOM 693 C ASP A 56 0.361 34.407 -11.996 1.00 0.00 C ATOM 694 O ASP A 56 0.989 33.431 -12.400 1.00 0.00 O ATOM 695 CB ASP A 56 0.300 36.017 -13.903 1.00 0.00 C ATOM 696 CG ASP A 56 -0.533 36.750 -14.931 1.00 0.00 C ATOM 697 OD1 ASP A 56 -1.164 37.767 -14.574 1.00 0.00 O ATOM 698 OD2 ASP A 56 -0.549 36.321 -16.105 1.00 0.00 O ATOM 0 H ASP A 56 -1.248 37.055 -12.284 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.157 34.487 -13.499 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.891 36.739 -13.339 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.003 35.359 -14.414 1.00 0.00 H new ATOM 703 N SER A 57 0.420 34.836 -10.749 1.00 0.00 N ATOM 704 CA SER A 57 1.253 34.191 -9.751 1.00 0.00 C ATOM 705 C SER A 57 0.408 33.803 -8.533 1.00 0.00 C ATOM 706 O SER A 57 0.931 33.612 -7.433 1.00 0.00 O ATOM 707 CB SER A 57 2.371 35.148 -9.331 1.00 0.00 C ATOM 708 OG SER A 57 3.009 35.721 -10.469 1.00 0.00 O ATOM 0 H SER A 57 -0.106 35.638 -10.400 1.00 0.00 H new ATOM 0 HA SER A 57 1.690 33.287 -10.174 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.960 35.939 -8.703 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.105 34.613 -8.729 1.00 0.00 H new ATOM 0 HG SER A 57 3.718 36.330 -10.174 1.00 0.00 H new ATOM 714 N CYS A 58 -0.893 33.668 -8.746 1.00 0.00 N ATOM 715 CA CYS A 58 -1.813 33.365 -7.686 1.00 0.00 C ATOM 716 C CYS A 58 -1.843 31.869 -7.426 1.00 0.00 C ATOM 717 O CYS A 58 -1.838 31.061 -8.362 1.00 0.00 O ATOM 718 CB CYS A 58 -3.198 33.882 -8.046 1.00 0.00 C ATOM 719 SG CYS A 58 -4.261 34.169 -6.632 1.00 0.00 S ATOM 0 H CYS A 58 -1.330 33.768 -9.662 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.484 33.859 -6.772 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.093 34.813 -8.603 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.680 33.165 -8.710 1.00 0.00 H new ATOM 0 HG CYS A 58 -4.370 35.448 -6.424 1.00 0.00 H new ATOM 724 N LYS A 59 -1.865 31.502 -6.161 1.00 0.00 N ATOM 725 CA LYS A 59 -1.818 30.103 -5.778 1.00 0.00 C ATOM 726 C LYS A 59 -3.005 29.727 -4.904 1.00 0.00 C ATOM 727 O LYS A 59 -3.191 28.556 -4.562 1.00 0.00 O ATOM 728 CB LYS A 59 -0.520 29.831 -5.028 1.00 0.00 C ATOM 729 CG LYS A 59 0.726 30.207 -5.809 1.00 0.00 C ATOM 730 CD LYS A 59 1.937 30.246 -4.908 1.00 0.00 C ATOM 731 CE LYS A 59 3.190 30.630 -5.671 1.00 0.00 C ATOM 732 NZ LYS A 59 4.376 30.714 -4.780 1.00 0.00 N ATOM 0 H LYS A 59 -1.915 32.154 -5.378 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.862 29.496 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.530 30.385 -4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.473 28.772 -4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.888 29.487 -6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.586 31.181 -6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.768 30.960 -4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.078 29.270 -4.445 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.376 29.897 -6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.036 31.591 -6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.212 30.979 -5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.209 31.432 -4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.539 29.790 -4.330 1.00 0.00 H new ATOM 746 N CYS A 60 -3.810 30.704 -4.554 1.00 0.00 N ATOM 747 CA CYS A 60 -4.947 30.454 -3.679 1.00 0.00 C ATOM 748 C CYS A 60 -6.265 30.430 -4.450 1.00 0.00 C ATOM 749 O CYS A 60 -6.379 31.017 -5.533 1.00 0.00 O ATOM 750 CB CYS A 60 -4.982 31.466 -2.531 1.00 0.00 C ATOM 751 SG CYS A 60 -4.524 33.139 -3.006 1.00 0.00 S ATOM 0 H CYS A 60 -3.706 31.673 -4.855 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.819 29.462 -3.247 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.986 31.483 -2.108 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.309 31.127 -1.743 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.586 33.255 -4.299 1.00 0.00 H new ATOM 756 N GLY A 61 -7.255 29.752 -3.880 1.00 0.00 N ATOM 757 CA GLY A 61 -8.540 29.579 -4.535 1.00 0.00 C ATOM 758 C GLY A 61 -9.381 30.843 -4.604 1.00 0.00 C ATOM 759 O GLY A 61 -8.958 31.915 -4.162 1.00 0.00 O ATOM 0 H GLY A 61 -7.189 29.313 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.372 29.212 -5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.103 28.810 -4.007 1.00 0.00 H new ATOM 763 N SER A 62 -10.584 30.700 -5.142 1.00 0.00 N ATOM 764 CA SER A 62 -11.498 31.814 -5.350 1.00 0.00 C ATOM 765 C SER A 62 -12.214 32.244 -4.069 1.00 0.00 C ATOM 766 O SER A 62 -12.858 33.283 -4.037 1.00 0.00 O ATOM 767 CB SER A 62 -12.509 31.454 -6.427 1.00 0.00 C ATOM 768 OG SER A 62 -11.844 31.105 -7.624 1.00 0.00 O ATOM 0 H SER A 62 -10.956 29.801 -5.449 1.00 0.00 H new ATOM 0 HA SER A 62 -10.900 32.667 -5.672 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.129 30.623 -6.091 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.176 32.297 -6.606 1.00 0.00 H new ATOM 0 HG SER A 62 -11.469 30.204 -7.539 1.00 0.00 H new ATOM 774 N SER A 63 -12.095 31.460 -3.016 1.00 0.00 N ATOM 775 CA SER A 63 -12.717 31.820 -1.752 1.00 0.00 C ATOM 776 C SER A 63 -11.758 32.659 -0.907 1.00 0.00 C ATOM 777 O SER A 63 -11.930 32.793 0.305 1.00 0.00 O ATOM 778 CB SER A 63 -13.144 30.566 -0.989 1.00 0.00 C ATOM 779 OG SER A 63 -14.005 29.762 -1.780 1.00 0.00 O ATOM 0 H SER A 63 -11.580 30.579 -3.006 1.00 0.00 H new ATOM 0 HA SER A 63 -13.606 32.415 -1.961 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.263 29.991 -0.704 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.651 30.851 -0.067 1.00 0.00 H new ATOM 0 HG SER A 63 -14.265 28.964 -1.273 1.00 0.00 H new ATOM 785 N CYS A 64 -10.758 33.239 -1.556 1.00 0.00 N ATOM 786 CA CYS A 64 -9.782 34.030 -0.860 1.00 0.00 C ATOM 787 C CYS A 64 -10.129 35.518 -0.942 1.00 0.00 C ATOM 788 O CYS A 64 -10.965 35.926 -1.750 1.00 0.00 O ATOM 789 CB CYS A 64 -8.398 33.770 -1.430 1.00 0.00 C ATOM 790 SG CYS A 64 -7.072 34.485 -0.457 1.00 0.00 S ATOM 0 H CYS A 64 -10.611 33.170 -2.563 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.787 33.742 0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.242 32.694 -1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.351 34.171 -2.443 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.388 35.309 -1.194 1.00 0.00 H new ATOM 795 N SER A 65 -9.472 36.320 -0.117 1.00 0.00 N ATOM 796 CA SER A 65 -9.735 37.749 -0.051 1.00 0.00 C ATOM 797 C SER A 65 -9.343 38.474 -1.341 1.00 0.00 C ATOM 798 O SER A 65 -9.956 39.468 -1.699 1.00 0.00 O ATOM 799 CB SER A 65 -9.008 38.366 1.139 1.00 0.00 C ATOM 800 OG SER A 65 -9.426 37.764 2.355 1.00 0.00 O ATOM 0 H SER A 65 -8.745 36.000 0.523 1.00 0.00 H new ATOM 0 HA SER A 65 -10.811 37.872 0.076 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.932 38.241 1.018 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.203 39.438 1.173 1.00 0.00 H new ATOM 0 HG SER A 65 -8.946 38.174 3.105 1.00 0.00 H new ATOM 806 N CYS A 66 -8.342 37.964 -2.050 1.00 0.00 N ATOM 807 CA CYS A 66 -7.880 38.613 -3.281 1.00 0.00 C ATOM 808 C CYS A 66 -8.783 38.270 -4.464 1.00 0.00 C ATOM 809 O CYS A 66 -8.514 38.665 -5.596 1.00 0.00 O ATOM 810 CB CYS A 66 -6.437 38.212 -3.589 1.00 0.00 C ATOM 811 SG CYS A 66 -6.172 36.432 -3.754 1.00 0.00 S ATOM 0 H CYS A 66 -7.837 37.113 -1.801 1.00 0.00 H new ATOM 0 HA CYS A 66 -7.923 39.691 -3.123 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.127 38.700 -4.513 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.791 38.591 -2.797 1.00 0.00 H new ATOM 0 HG CYS A 66 -5.339 36.031 -2.840 1.00 0.00 H new ATOM 816 N LYS A 67 -9.856 37.550 -4.189 1.00 0.00 N ATOM 817 CA LYS A 67 -10.777 37.114 -5.226 1.00 0.00 C ATOM 818 C LYS A 67 -12.093 37.882 -5.141 1.00 0.00 C ATOM 819 O LYS A 67 -12.122 39.060 -5.599 1.00 0.00 O ATOM 820 CB LYS A 67 -11.033 35.621 -5.071 1.00 0.00 C ATOM 821 CG LYS A 67 -9.757 34.802 -4.942 1.00 0.00 C ATOM 822 CD LYS A 67 -9.067 34.621 -6.281 1.00 0.00 C ATOM 823 CE LYS A 67 -7.564 34.778 -6.150 1.00 0.00 C ATOM 824 NZ LYS A 67 -6.952 33.779 -5.233 1.00 0.00 N ATOM 0 H LYS A 67 -10.113 37.252 -3.248 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.332 37.313 -6.201 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.653 35.455 -4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.599 35.265 -5.932 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.078 35.295 -4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.993 33.825 -4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.298 33.634 -6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.451 35.352 -6.993 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.108 34.686 -7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.339 35.781 -5.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.049 33.451 -5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.784 34.217 -4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.596 32.970 -5.122 1.00 0.00 H new